diff --git a/ChangeLog.md b/ChangeLog.md --- a/ChangeLog.md +++ b/ChangeLog.md @@ -2,6 +2,10 @@ ## [Unreleased] +## [0.1.4.3] - 2022-03-23 +### Changed +- Support GHC-9.2 packages in dependencies. + ## [0.1.4.2] - 2021-10-14 ### Changed - More types of multiline properties are supported. diff --git a/cobot-io.cabal b/cobot-io.cabal --- a/cobot-io.cabal +++ b/cobot-io.cabal @@ -1,11 +1,11 @@ cabal-version: 1.12 --- This file has been generated from package.yaml by hpack version 0.34.4. +-- This file has been generated from package.yaml by hpack version 0.34.6. -- -- see: https://github.com/sol/hpack name: cobot-io -version: 0.1.4.2 +version: 0.1.4.3 synopsis: Biological data file formats and IO description: Please see the README on GitHub at category: Bio @@ -17,9 +17,91 @@ license: BSD3 license-file: LICENSE build-type: Simple +tested-with: + GHC ==8.10.7 + || ==9.0.2 + || ==9.2.2 + extra-source-files: README.md ChangeLog.md + test/GB/fromYanaWithLove.gb + test/GB/pAAV-GFP-CellBioLab-dots.gb + test/GB/pAAV-GFP-CellBioLab.gb + test/GB/pAAV_CMV_RPE65_PolyA_linkers.gb + test/GB/pIntA-TRBV.gb + test/FASTA/correct.fasta + test/MAE/Capri.mae + test/MAE/docking_1.mae + test/MAE/docking_1_2.mae + test/MAE/docking_2.mae + test/MAE/GLY_3.mae + test/MAE/h2o.mae + test/MAE/schrod_test.mae + test/MAE/small.mae + test/PDB/1PPE_I.mae + test/PDB/BondsRestoring/1vfb_ab_b.mae + test/PDB/BondsRestoring/3mxw_ab_b.mae + test/PDB/BondsRestoring/4dn4_ag_b.mae + test/PDB/BondsRestoring/ALA_3.mae + test/PDB/BondsRestoring/ARG_3.mae + test/PDB/BondsRestoring/ASN_3.mae + test/PDB/BondsRestoring/ASP_3.mae + test/PDB/BondsRestoring/CYS_3.mae + test/PDB/BondsRestoring/GLN_3.mae + test/PDB/BondsRestoring/GLU_3.mae + test/PDB/BondsRestoring/GLY_3.mae + test/PDB/BondsRestoring/HID_3.mae + test/PDB/BondsRestoring/HIE_3.mae + test/PDB/BondsRestoring/HIP_3.mae + test/PDB/BondsRestoring/ILE_3.mae + test/PDB/BondsRestoring/LEU_3.mae + test/PDB/BondsRestoring/LYS_3.mae + test/PDB/BondsRestoring/MET_3.mae + test/PDB/BondsRestoring/PHE_3.mae + test/PDB/BondsRestoring/PRO_3.mae + test/PDB/BondsRestoring/SER_3.mae + test/PDB/BondsRestoring/THR_3.mae + test/PDB/BondsRestoring/TRP_3.mae + test/PDB/BondsRestoring/TYR_3.mae + test/PDB/BondsRestoring/VAL_3.mae + test/PDB/1igt.pdb + test/PDB/1PPE_I.pdb + test/PDB/6a0z.HLHL.pdb + test/PDB/BondsRestoring/1vfb_ab_b.pdb + test/PDB/BondsRestoring/3mxw_ab_b.pdb + test/PDB/BondsRestoring/4dn4_ag_b.pdb + test/PDB/BondsRestoring/ALA_3.pdb + test/PDB/BondsRestoring/ARG_3.pdb + test/PDB/BondsRestoring/ASN_3.pdb + test/PDB/BondsRestoring/ASP_3.pdb + test/PDB/BondsRestoring/CYS_3.pdb + test/PDB/BondsRestoring/GLN_3.pdb + test/PDB/BondsRestoring/GLU_3.pdb + test/PDB/BondsRestoring/GLY_3.pdb + test/PDB/BondsRestoring/HID_3.pdb + test/PDB/BondsRestoring/HIE_3.pdb + test/PDB/BondsRestoring/HIP_3.pdb + test/PDB/BondsRestoring/ILE_3.pdb + test/PDB/BondsRestoring/LEU_3.pdb + test/PDB/BondsRestoring/LYS_3.pdb + test/PDB/BondsRestoring/MET_3.pdb + test/PDB/BondsRestoring/PHE_3.pdb + test/PDB/BondsRestoring/PRO_3.pdb + test/PDB/BondsRestoring/SER_3.pdb + test/PDB/BondsRestoring/THR_3.pdb + test/PDB/BondsRestoring/TRP_3.pdb + test/PDB/BondsRestoring/TYR_3.pdb + test/PDB/BondsRestoring/VAL_3.pdb + test/PDB/Writer/big_file.pdb + test/PDB/Writer/hetatms.pdb + test/PDB/Writer/several_models.pdb + test/ABI/bad.ab1 + test/ABI/bad_at_the_end.ab1 + test/ABI/bad_quality.ab1 + test/ABI/test.ab1 + test/ABI/not_ab1.txt + test/MMTF/1FSD.dms source-repository head type: git @@ -97,14 +179,14 @@ , attoparsec >=0.10 && <0.15 , base >=4.14 && <5 , binary >=0.8.3.0 && <1.0 - , bytestring >=0.10.8.1 && <0.11 + , bytestring >=0.10.8.1 && <0.12 , cobot >=0.1.1.7 , containers >=0.5.7.1 && <0.7 , data-msgpack >=0.0.9 && <0.1 , deepseq ==1.4.* , http-conduit ==2.3.* , hyraxAbif >=0.2.3.27 && <0.2.4.0 - , lens >=4.16 && <5.1 + , lens >=4.16 && <5.2 , linear >=1.20 && <1.22 , megaparsec >=9.0.1 , mtl >=2.2.1 && <2.3.0 @@ -147,7 +229,7 @@ , attoparsec >=0.10 && <0.15 , base >=4.14 && <5 , binary >=0.8.3.0 && <1.0 - , bytestring >=0.10.8.1 && <0.11 + , bytestring >=0.10.8.1 && <0.12 , cobot >=0.1.1.7 , cobot-io , containers >=0.5.7.1 && <0.7 @@ -157,7 +239,7 @@ , hspec >=2.4.1 && <2.9 , http-conduit ==2.3.* , hyraxAbif >=0.2.3.27 && <0.2.4.0 - , lens >=4.16 && <5.1 + , lens >=4.16 && <5.2 , linear , megaparsec >=9.0.1 , mtl >=2.2.1 && <2.3.0 diff --git a/test/ABI/bad.ab1 b/test/ABI/bad.ab1 new file mode 100644 Binary files /dev/null and b/test/ABI/bad.ab1 differ diff --git a/test/ABI/bad_at_the_end.ab1 b/test/ABI/bad_at_the_end.ab1 new file mode 100644 Binary files /dev/null and b/test/ABI/bad_at_the_end.ab1 differ diff --git a/test/ABI/bad_quality.ab1 b/test/ABI/bad_quality.ab1 new file mode 100644 Binary files /dev/null and b/test/ABI/bad_quality.ab1 differ diff --git a/test/ABI/not_ab1.txt b/test/ABI/not_ab1.txt new file mode 100644 --- /dev/null +++ b/test/ABI/not_ab1.txt @@ -0,0 +1,1 @@ +This is just text diff --git a/test/ABI/test.ab1 b/test/ABI/test.ab1 new file mode 100644 Binary files /dev/null and b/test/ABI/test.ab1 differ diff --git a/test/FASTA/correct.fasta b/test/FASTA/correct.fasta new file mode 100644 --- /dev/null +++ b/test/FASTA/correct.fasta @@ -0,0 +1,17 @@ +>3HMX:A|PDBID|CHAIN|SEQUENCE +IWELKKDVYVVELDWYPDAPGEMVVLTCDTPEEDGITWTLDQSSE +VLGSGKTLTIQVKEFGDAGQYTCHKGGEVLSHSLL + +>7HMX:A|PDBID|CHAIN|SEQUENCE +EEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEE +VLGSGKTLTIQVKEFGDAGQYTCHKGGEVLSHSLL + +> With_spaces +MDFFDLDIEI KQERLPAECS LNSPLNYSLS AQLTDRMTPR TENVRRQRER +MDFFDLDIEI KQERLPAECS LNSPLNYSLS AQLTDRMTPR TENVRRQRER + +MDFFDLDIEI KQERLPAECS LNSPLNYSLS AQLTDRMTPR TENVRRQRER + +> Empty_ha_ha_ha + + diff --git a/test/GB/fromYanaWithLove.gb b/test/GB/fromYanaWithLove.gb new file mode 100644 --- /dev/null +++ b/test/GB/fromYanaWithLove.gb @@ -0,0 +1,202 @@ +LOCUS Exported 6951 bp DNA circular SYN 04-MAR-2021 +DEFINITION synthetic circular DNA +ACCESSION . +VERSION . +KEYWORDS pIntA-GFPst-CK +SOURCE synthetic DNA construct + ORGANISM synthetic DNA construct +REFERENCE 1 (bases 1 to 6951) + AUTHORS . + TITLE Direct Submission + JOURNAL Exported Aug 14, 2021 from SnapGene Viewer 5.3.2 + https://www.snapgene.com +COMMENT ORIGDB|GenBank +FEATURES Location/Qualifiers + source 1..6951 + /organism="synthetic DNA construct" + /mol_type="other DNA" + rep_origin join(1,6551..6951) + /label=pUCorigin + and also a multiline property + /note="/vntifkey=33" + enhancer 449..858 + /label=cmv enhanser + /label=cmv\enhanser + /note="/vntifkey=9" + misc_feature 859..984 + /label=hCMV promoter + /label=hCMV\promoter + /note="/vntifkey=21" + intron 1012..1919 + /label=IntronA + /note="/vntifkey=15" + primer_bind 1502..1522 + /label=inv olig1 + misc_feature 1945..1953 + /label=Kozak + /note="/vntifkey=21" + misc_feature 1954..2010 + /label=Leader IgK + /note="Leader IgK" + /note="/ugene_name=Leader\ IgK" + /note="/vntifkey=21" + misc_feature 1954..1956 + /label=START + /note="START" + /note="/ugene_name=START" + /note="/vntifkey=21" + misc_feature 2011..3739 + /label=GFP stuffer + /note="GFP stuffer" + /note="/ugene_name=GFP\ stuffer" + /note="/vntifkey=21" + misc_feature 3740..4060 + /label=CK + /note="CK" + /note="/ugene_name=CK" + /note="/vntifkey=21" + misc_feature 4061..4066 + /label=STOP + /note="STOP" + /note="/ugene_name=STOP" + /note="/vntifkey=21" + misc_feature 4079..4317 + /gene="SV40_PA term" + /label=SV40_PA term + /label=SV40_PA\term + /note="/vntifkey=21" + primer_bind 4350..4370 + /label=pEE_Clab + rep_origin 4582..4975 + /label=EBV ori + /label=EBV\ori + /note="/vntifkey=33" + CDS 5543..6403 + /codon_start=1 + /label=AmpR + /note="/vntifkey=4" + /translation="MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYI + ELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYS + PVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRW + EPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSA + LPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGAS + LIKHW" +BASE COUNT 1802 a 1764 c 1718 g 1840 t +ORIGIN + 1 cctacagcgt gagctatgag aaagcgccac gcttcccgaa gggagaaagg cggacaggta + 61 tccggtaagc ggcagggtcg gaacaggaga gcgcacgagg gagcttccag ggggaaacgc + 121 ctggtatctt tatagtcctg tcgggtttcg ccacctctga cttgagcgtc gatttttgtg + 181 atgctcgtca ggggggcgga gcctatggaa aaacgccagc aacgcggcct ttttacggtt + 241 cctggccttt tgctggcctt ttgctcacat gttctttcct gcgttatccc ctgattctgt + 301 ggataaccgt attaccgcct ttgagtgagc tgataccgct cgccgcagcc gaacgaccga + 361 gcgcagcgag tcagtgagcg aggaagcgta catttatatt ggctcatgtc caatatgacc + 421 gccatgttga cattgattat tgactagacc gcgttacata acttacggta aatggcccgc + 481 ctggctgacc gcccaacgac ccccgcccat tgacgtcaat aatgacgtat gttcccatag + 541 taacgccaat agggactttc cattgacgtc aatgggtgga gtatttacgg taaactgccc + 601 acttggcagt acatcaagtg tatcatatgc caagtacgcc ccctattgac gtcaatgacg + 661 gtaaatggcc cgcctggcat tatgcccagt acatgacctt atgggacttt cctacttggc + 721 agtacatcta cgtattagtc atcgctatta ccatggtgat gcggttttgg cagtacatca + 781 atgggcgtgg atagcggttt gactcacggg gatttccaag tctccacccc attgacgtca + 841 atgggagttt gttttggcac caaaatcaac gggactttcc aaaatgtcgt aacaactccg + 901 ccccattgac gcaaatgggc ggtaggcgtg tacggtggga ggtctatata agcagagctc + 961 gtttagtgaa ccgtcagatc gcctggagac gccatccacg ctgttttgac ctccatagaa + 1021 gacaccggga ccgatccagc ctccgcggcc gggaacggtg cattggaacg cggattcccc + 1081 gtgccaagag tgacgtaagt accgcctata gagtctatag gcccaccccc ttggcttctt + 1141 atgcatgcta tactgttttt ggcttggggt ctatacaccc ccgcttcctc atgttatagg + 1201 tgatggtata gcttagccta taggtgtggg ttattgacca ttattgacca ctcccctatt + 1261 ggtgacgata ctttccatta ctaatccata acatggctct ttgccacaac tctctttatt + 1321 ggctatatgc caatacactg tccttcagag actgacacgg actctgtatt tttacaggat + 1381 ggggtctcat ttattattta caaattcaca tatacaacac caccgtcccc agtgcccgca + 1441 gtttttatta aacataacgt gggatctcca cgcgaatctc gggtacgtgt tccggacatg + 1501 ggctcatctc cggtagcggc ggagcttcta catccgagcc ctgctcccat gcctccagcg + 1561 actcatggtc gctcggcagc tccttgctcc taacagtgga ggccagactt aggcacagca + 1621 cgatgcccac caccaccagt gtgccgcaca aggccgtggc ggtagggtat gtgtctgaaa + 1681 atgagctcgg ggagcgggct tgcaccgctg acgcatttgg aagacttaag gcagcggcag + 1741 aagaagatgc aggcagctga gttgttgtgt tctgataaga gtcagaggta actcccgttg + 1801 cggtgctgtt aacggtggag ggcagtgtag tctgagcagt actcgttgct gccgcgcgcg + 1861 ccaccagaca taatagctga cagactaaca gactgttcct ttccatgggt cttttctgca + 1921 gtcaccgtcc ttgacacgaa gcttgccgcc accatggaga ccgacaccct gctgctgtgg + 1981 gtgctgctgc tgtgggtgcc cgggtcgacg aagagctcat gagcggatac atatttgaat + 2041 gtatttagaa aaataaacaa ataggggtca gtgttacaac caattaacca attctgaaca + 2101 ttatcgcgag cccatttata cctgaatatg gctcataaca ccccttgttt gcctggcggc + 2161 agtagcgcgg tggtcccacc tgaccccatg ccgaactcag aagtgaaacg ccgtagcgcc + 2221 gatggtagtg tggggactcc ccatgcgaga gtagggaact gccaggcatc aaataaaacg + 2281 aaaggctcag tcgaaagact gggcctttcg cccgggctaa ttatggggtg tcgcccttgg + 2341 ggtgagaccc tcgagtgtac agaattctta ctgatacgtg tccagatcaa ccgctttcac + 2401 gacctctacc agacacatgt gatcacggcg ctcgtcgcgg tctttgctca gtttggtgtg + 2461 gtaggtaatg tgatgataac gcgggatatg cactgccgcg gagcccgcca acggacgatt + 2521 catttggctg catttggtaa ccagtttttc ggtcacacct tcaatatcgt acgcctggtt + 2581 gaactcaacg cggatgccat tgttaacggt gtcaggcaga atatacagaa tgcttggcgg + 2641 gcattggaat gcaacgttct tacgcagaat gtgaccgtct ttcttaaagt tctcaccagt + 2701 cagcgtgaca cgattgtaga tagaaccgcg ttcgtaggta accatagcac gcgtcttgta + 2761 cacgccgtcg ccttcgaagc tgatggtacg ctcttgggta taaccttccg gcatggcgct + 2821 cttaaagaaa tccttgatgt ggctcgggta cttgcgaaac actgaacacc gtagctcagg + 2881 gtgctcacca gggttgccca cgggacccgg caggtcgccc gtagtgcaga tgtatttcgc + 2941 tttaatggta cccgtggtcg cgtcacccgg taccctcgcc tttaatgata aatttcatac + 3001 cttcgacgtc gccttccagt tcggtgatat acgggatctc tttctcaaac agttttgcac + 3061 cttccgtcaa tgccgtcata tgtttacctc ctaaggtctc gaaaagttaa acaaaattat + 3121 ttctaaaggg aaaccgttgt ggaattgtga gcgctcacaa ttccacatat tataattgtt + 3181 atccgctcac aaagcaaata aatttttcat gatttcactg tgcatgaagc tcgtaattgt + 3241 tatccgctca caattaaggg cgacacaaaa tttattctaa atgataataa atactgataa + 3301 catcttatag tttgtattat attttgtatt atcgttgaca tgtataattt tgatatcaaa + 3361 aactgatttt ccctttatta ttttcgagat ttattttctt aattctcttt aacaaactag + 3421 aaatattgta tatacaaaaa atcataaata atagatgaat agtttaatta taggtgttca + 3481 tcaatcgaaa aagcaacgta tcttatttaa agtgcgttgc ttttttctca tttataaggt + 3541 taaataattc tcatatatca agcaaagtga caggcgccct taaatattct gacaaatgct + 3601 ctttccctaa actcccccca taaaaaaacc cgccgaagcg ggtttttacg ttatttgcgg + 3661 attaacgatt actcgttatc agaaccgccc agggggcccg agcttaagac tggccgtcgt + 3721 tttacaacac aagctcttcc gtacggtggc tgcaccatct gtcttcatct tcccgccatc + 3781 tgatgagcag ttgaaatctg gaactgcctc tgttgtgtgc ctgctgaata acttctatcc + 3841 cagagaggcc aaagtacagt ggaaggtgga taacgccctc caatcgggta actcccagga + 3901 gagtgtcaca gagcaggaca gcaaggacag cacctacagc ctcagcagca ccctgacgct + 3961 gagcaaagca gactacgaga aacacaaagt ctacgcctgc gaagtcaccc atcagggcct + 4021 gagctcgccc gtcacaaaga gcttcaacag gggagagtgt taatagtcta gacctaggtg + 4081 atcataatca gccataccac atttgtagag gttttacttg ctttaaaaaa cctcccacac + 4141 ctccccctga acctgaaaca taaaatgaat gcaattgttg ttgttaactt gtttattgca + 4201 gcttataatg gttacaaata aagcaatagc atcacaaatt tcacaaataa agcatttttt + 4261 tcactgcatt ctagttgtgg tttgtccaaa ctcatcaatg tatcttatca tgtctggaga + 4321 tctctagcta gaggatcgat ccccgccccg gacgaactaa acctgactac gacatctctg + 4381 ccccttcttc gcggggcagt gcatgtaatc ccttcagttg gttggtacaa cttgccaact + 4441 gaaccctaaa cgggtagcat atgcttcccg ggtagtagta tatactatcc agactaaccc + 4501 taattcaata gcatatgtta cccaacggga agcatatgct atcgaattag ggttagtaaa + 4561 agggtcctaa ggaacagcga tgtaggtggg cgggccaaga taggggcgcg attgctgcga + 4621 tctggaggac aaattacaca cacttgcgcc tgagcgccaa gcacagggtt gttggtcctc + 4681 atattcacga ggtcgctgag agcacggtgg gctaatgttg ccatgggtag catatactac + 4741 ccaaatatct ggatagcata tgctatccta atctatatct gggtagcata ggctatccta + 4801 atctatatct gggtagcata tgctatccta atctatatct gggtagtata tgctatccta + 4861 atttatatct gggtagcata ggctatccta atctatatct gggtagcata tgctatccta + 4921 atctatatct gggtagtata tgctatccta atctgtatcc gggtagcata tgctatccta + 4981 atagagatta gggtagtata tgctatccta atttatatct gggtagcata tactacccaa + 5041 atatctggat agcatatgct atcctaatct atatctgggt agcatatgct atcctaatct + 5101 atatctgggt agcataggct atcctaatct atatctgggt agcatatgct atcctaatct + 5161 atatctgggt agtatatgct atcctaattt atatctgggt agcataggct atcctaatct + 5221 atatctgggt agcatatgct atcctaatct atatctgggt agtatatgct atcctaatct + 5281 gtatccgggt agcatatgct atcctcatga taagctgtca aacatgagaa ttaattcttg + 5341 aagacgaaag ggcctcgtga tacgcctatt tttataggtt aatgtcatga taataatggt + 5401 ttcttagacg tcaggtggca cttttcgggg aaatgtgcgc ggaaccccta tttgtttatt + 5461 tttctaaata cattcaaata tgtatccgct catgagacaa taaccctgat aaatgcttca + 5521 ataatattga aaaaggaaga gtatgagtat tcaacatttc cgtgtcgccc ttattccctt + 5581 ttttgcggca ttttgccttc ctgtttttgc tcacccagaa acgctggtga aagtaaaaga + 5641 tgctgaagat cagttgggtg cacgagtggg ttacatcgaa ctggatctca acagcggtaa + 5701 gatccttgag agttttcgcc ccgaagaacg ttttccaatg atgagcactt ttaaagttct + 5761 gctatgtggc gcggtattat cccgtgttga cgccgggcaa gagcaactcg gtcgccgcat + 5821 acactattct cagaatgact tggttgagta ctcaccagtc acagaaaagc atcttacgga + 5881 tggcatgaca gtaagagaat tatgcagtgc tgccataacc atgagtgata acactgcggc + 5941 caacttactt ctgacaacga tcggaggacc gaaggagcta accgcttttt tgcacaacat + 6001 gggggatcat gtaactcgcc ttgatcgttg ggaaccggag ctgaatgaag ccataccaaa + 6061 cgacgagcgt gacaccacga tgcctgcagc aatggcaaca acgttgcgca aactattaac + 6121 tggcgaacta cttactctag cttcccggca acaattaata gactggatgg aggcggataa + 6181 agttgcagga ccacttctgc gctcggccct tccggctggc tggtttattg ctgataaatc + 6241 tggagccggt gagcgtgggt ctcgcggtat cattgcagca ctggggccag atggtaagcc + 6301 ctcccgtatc gtagttatct acacgacggg gagtcaggca actatggatg aacgaaatag + 6361 acagatcgct gagataggtg cctcactgat taagcattgg taactgtcag accaagttta + 6421 ctcatatata ctttagattg atttaaaact tcatttttaa tttaaaagga tctaggtgaa + 6481 gatccttttt gataatctca tgaccaaaat cccttaacgt gagttttcgt tccactgagc + 6541 gtcagacccc gtagaaaaga tcaaaggatc ttcttgagat cctttttttc tgcgcgtaat + 6601 ctgctgcttg caaacaaaaa aaccaccgct accagcggtg gtttgtttgc cggatcaaga + 6661 gctaccaact ctttttccga aggtaactgg cttcagcaga gcgcagatac caaatactgt + 6721 tcttctagtg tagccgtagt taggccacca cttcaagaac tctgtagcac cgcctacata + 6781 cctcgctctg ctaatcctgt taccagtggc tgctgccagt ggcgataagt cgtgtcttac + 6841 cgggttggac tcaagacgat agttaccgga taaggcgcag cggtcgggct gaacgggggg + 6901 ttcgtgcaca cagcccagct tggagcgaac gacctacacc gaactgagat a +// diff --git a/test/GB/pAAV-GFP-CellBioLab-dots.gb b/test/GB/pAAV-GFP-CellBioLab-dots.gb new file mode 100644 --- /dev/null +++ b/test/GB/pAAV-GFP-CellBioLab-dots.gb @@ -0,0 +1,124 @@ +LOCUS pAAV-GFP-CellBio 5374 bp ds-DNA circular SYN 15-AUG-2016 +DEFINITION . +ACCESSION . +VERSION . +KEYWORDS . +SOURCE . +REFERENCE . +REFERENCE . +COMMENT . +FEATURES Location/Qualifiers + misc_feature 1..130 + /label=Right ITR + enhancer 206..509 + /label=CMV enhancer + /note="human cytomegalovirus immediate early enhancer" + promoter 510..712 + /label=CMV promoter + /note="human cytomegalovirus (CMV) immediate early + promoter" + misc_feature 805..1297 + /label=Human beta-globin Intron + CDS 1320..2036 + /codon_start=1 + /product="enhanced GFP" + /label=EGFP + /note="mammalian codon-optimized" + repeat_region complement(2637..2777) + /label=Left ITR + /note="inverted terminal repeat of adeno-associated virus + serotype 2 + oooooo" + /prop=1 +ORIGIN + 1 cctgcaggca gctgcgcgct cgctcgctca ctgaggccgc ccgggcgtcg ggcgaccttt + 61 ggtcgcccgg cctcagtgag cgagcgagcg cgcagagagg gagtggccaa ctccatcact + 121 aggggttcct gcggccgcac gcgtctagtt attaatagta atcaattacg gggtcattag + 181 ttcatagccc atatatggag ttccgcgtta cataacttac ggtaaatggc ccgcctggct + 241 gaccgcccaa cgacccccgc ccattgacgt caataatgac gtatgttccc atagtaacgt + 301 caatagggac tttccattga cgtcaatggg tggagtattt acggtaaact gcccacttgg + 361 cagtacatca agtgtatcat atgccaagta cgccccctat tgacgtcaat gacggtaaat + 421 ggcccgcctg gcattatgcc cagtacatga ccttatggga ctttcctact tggcagtaca + 481 tctacgtatt agtcatcgct attaccatgg tgatgcggtt ttggcagtac atcaatgggc + 541 gtggatagcg gtttgactca cggggatttc caagtctcca ccccattgac gtcaatggga + 601 gtttgttttg caccaaaatc aacgggactt tccaaaatgt cgtaacaact ccgccccatt + 661 gacgcaaatg ggcggtaggc gtgtacggtg ggaggtctat ataagcagag ctcgtttagt + 721 gaaccgtcag atcgcctgga gacgccatcc acgctgtttt gacctccata gaagacaccg + 781 ggaccgatcc agcctccgcg gattcgaatc ccggccggga acggtgcatt ggaacgcgga + 841 ttccccgtgc caagagtgac gtaagtaccg cctatagagt ctataggccc acaaaaaatg + 901 ctttcttctt ttaatatact tttttgttta tcttatttct aatactttcc ctaatctctt + 961 tctttcaggg caataatgat acaatgtatc atgcctcttt gcaccattct aaagaataac + 1021 agtgataatt tctgggttaa ggcaatagca atatttctgc atataaatat ttctgcatat + 1081 aaattgtaac tgatgtaaga ggtttcatat tgctaatagc agctacaatc cagctaccat + 1141 tctgctttta ttttatggtt gggataaggc tggattattc tgagtccaag ctaggccctt + 1201 ttgctaatca tgttcatacc tcttatcttc ctcccacagc tcctgggcaa cgtgctggtc + 1261 tgtgtgctgg cccatcactt tggcaaagaa ttgggattcg aacatcgatt gaattctgaa + 1321 tggtgagcaa gggcgaggag ctgttcaccg gggtggtgcc catcctggtc gagctggacg + 1381 gcgacgtaaa cggccacaag ttcagcgtgt ccggcgaggg cgagggcgat gccacctacg + 1441 gcaagctgac cctgaagttc atctgcacca ccggcaagct gcccgtgccc tggcccaccc + 1501 tcgtgaccac cctgacctac ggcgtgcagt gcttcagccg ctaccccgac cacatgaagc + 1561 agcacgactt cttcaagtcc gccatgcccg aaggctacgt ccaggagcgc accatcttct + 1621 tcaaggacga cggcaactac aagacccgcg ccgaggtgaa gttcgagggc gacaccctgg + 1681 tgaaccgcat cgagctgaag ggcatcgact tcaaggagga cggcaacatc ctggggcaca + 1741 agctggagta caactacaac agccacaacg tctatatcat ggccgacaag cagaagaacg + 1801 gcatcaaggt gaacttcaag atccgccaca acatcgagga cggcagcgtg cagctcgccg + 1861 accactacca gcagaacacc cccatcggcg acggccccgt gctgctgccc gacaaccact + 1921 acctgagcac ccagtccgcc ctgagcaaag accccaacga gaagcgcgat cacatggtcc + 1981 tgctggagtt cgtgaccgcc gccgggatca ctctcggcat ggacgagctg tacaagtact + 2041 cagatctcga gctcaagtag ggatcctcta gagtcgacct gcagaagctt gcctcgagca + 2101 gcgctgctcg agagatctac gggtggcatc cctgtgaccc ctccccagtg cctctcctgg + 2161 ccctggaagt tgccactcca gtgcccacca gccttgtcct aataaaatta agttgcatca + 2221 ttttgtctga ctaggtgtcc ttctataata ttatggggtg gaggggggtg gtatggagca + 2281 aggggcaagt tgggaagaca acctgtaggg cctgcggggt ctattgggaa ccaagctgga + 2341 gtgcagtggc acaatcttgg ctcactgcaa tctccgcctc ctgggttcaa gcgattctcc + 2401 tgcctcagcc tcccgagttg ttgggattcc aggcatgcat gaccaggctc agctaatttt + 2461 tgtttttttg gtagagacgg ggtttcacca tattggccag gctggtctcc aactcctaat + 2521 ctcaggtgat ctacccacct tggcctccca aattgctggg attacaggcg tgaaccactg + 2581 ctcccttccc tgtccttctg attttgtagg taaccacgtg cggaccgagc ggccgcagga + 2641 acccctagtg atggagttgg ccactccctc tctgcgcgct cgctcgctca ctgaggccgg + 2701 gcgaccaaag gtcgcccgac gcccgggctt tgcccgggcg gcctcagtga gcgagcgagc + 2761 gcgcagctgc ctgcaggggc gcctgatgcg gtattttctc cttacgcatc tgtgcggtat + 2821 ttcacaccgc atacgtcaaa gcaaccatag tacgcgccct gtagcggcgc attaagcgcg + 2881 gcgggtgtgg tggttacgcg cagcgtgacc gctacacttg ccagcgccct agcgcccgct + 2941 cctttcgctt tcttcccttc ctttctcgcc acgttcgccg gctttccccg tcaagctcta + 3001 aatcgggggc tccctttagg gttccgattt agtgctttac ggcacctcga ccccaaaaaa + 3061 cttgatttgg gtgatggttc acgtagtggg ccatcgccct gatagacggt ttttcgccct + 3121 ttgacgttgg agtccacgtt ctttaatagt ggactcttgt tccaaactgg aacaacactc + 3181 aaccctatct cgggctattc ttttgattta taagggattt tgccgatttc ggcctattgg + 3241 ttaaaaaatg agctgattta acaaaaattt aacgcgaatt ttaacaaaat attaacgttt + 3301 acaattttat ggtgcactct cagtacaatc tgctctgatg ccgcatagtt aagccagccc + 3361 cgacacccgc caacacccgc tgacgcgccc tgacgggctt gtctgctccc ggcatccgct + 3421 tacagacaag ctgtgaccgt ctccgggagc tgcatgtgtc agaggttttc accgtcatca + 3481 ccgaaacgcg cgagacgaaa gggcctcgtg atacgcctat ttttataggt taatgtcatg + 3541 ataataatgg tttcttagac gtcaggtggc acttttcggg gaaatgtgcg cggaacccct + 3601 atttgtttat ttttctaaat acattcaaat atgtatccgc tcatgagaca ataaccctga + 3661 taaatgcttc aataatattg aaaaaggaag agtatgagta ttcaacattt ccgtgtcgcc + 3721 cttattccct tttttgcggc attttgcctt cctgtttttg ctcacccaga aacgctggtg + 3781 aaagtaaaag atgctgaaga tcagttgggt gcacgagtgg gttacatcga actggatctc + 3841 aacagcggta agatccttga gagttttcgc cccgaagaac gttttccaat gatgagcact + 3901 tttaaagttc tgctatgtgg cgcggtatta tcccgtattg acgccgggca agagcaactc + 3961 ggtcgccgca tacactattc tcagaatgac ttggttgagt actcaccagt cacagaaaag + 4021 catcttacgg atggcatgac agtaagagaa ttatgcagtg ctgccataac catgagtgat + 4081 aacactgcgg ccaacttact tctgacaacg atcggaggac cgaaggagct aaccgctttt + 4141 ttgcacaaca tgggggatca tgtaactcgc cttgatcgtt gggaaccgga gctgaatgaa + 4201 gccataccaa acgacgagcg tgacaccacg atgcctgtag caatggcaac aacgttgcgc + 4261 aaactattaa ctggcgaact acttactcta gcttcccggc aacaattaat agactggatg + 4321 gaggcggata aagttgcagg accacttctg cgctcggccc ttccggctgg ctggtttatt + 4381 gctgataaat ctggagccgg tgagcgtggg tctcgcggta tcattgcagc actggggcca + 4441 gatggtaagc cctcccgtat cgtagttatc tacacgacgg ggagtcaggc aactatggat + 4501 gaacgaaata gacagatcgc tgagataggt gcctcactga ttaagcattg gtaactgtca + 4561 gaccaagttt actcatatat actttagatt gatttaaaac ttcattttta atttaaaagg + 4621 atctaggtga agatcctttt tgataatctc atgaccaaaa tcccttaacg tgagttttcg + 4681 ttccactgag cgtcagaccc cgtagaaaag atcaaaggat cttcttgaga tccttttttt + 4741 ctgcgcgtaa tctgctgctt gcaaacaaaa aaaccaccgc taccagcggt ggtttgtttg + 4801 ccggatcaag agctaccaac tctttttccg aaggtaactg gcttcagcag agcgcagata + 4861 ccaaatactg tccttctagt gtagccgtag ttaggccacc acttcaagaa ctctgtagca + 4921 ccgcctacat acctcgctct gctaatcctg ttaccagtgg ctgctgccag tggcgataag + 4981 tcgtgtctta ccgggttgga ctcaagacga tagttaccgg ataaggcgca gcggtcgggc + 5041 tgaacggggg gttcgtgcac acagcccagc ttggagcgaa cgacctacac cgaactgaga + 5101 tacctacagc gtgagctatg agaaagcgcc acgcttcccg aagggagaaa ggcggacagg + 5161 tatccggtaa gcggcagggt cggaacagga gagcgcacga gggagcttcc agggggaaac + 5221 gcctggtatc tttatagtcc tgtcgggttt cgccacctct gacttgagcg tcgatttttg + 5281 tgatgctcgt caggggggcg gagcctatgg aaaaacgcca gcaacgcggc ctttttacgg + 5341 ttcctggcct tttgctggcc ttttgctcac atgt +// diff --git a/test/GB/pAAV-GFP-CellBioLab.gb b/test/GB/pAAV-GFP-CellBioLab.gb new file mode 100644 --- /dev/null +++ b/test/GB/pAAV-GFP-CellBioLab.gb @@ -0,0 +1,145 @@ +LOCUS pAAV-GFP-CellBio 5374 bp ds-DNA circular SYN 15-AUG-2016 +DEFINITION Saccharomyces cerevisiae TCP1-beta gene, partial cds, and Axl2p + (AXL2) and Rev7p (REV7) genes, complete cds. +ACCESSION U49845 +VERSION U49845.1 GI:1293613 +KEYWORDS . +SOURCE synthetic DNA construct + ORGANISM synthetic DNA construct + synthetic DNA construct hmmm interesting +REFERENCE 1 (bases 1 to 5374) + AUTHORS avprok + TITLE Direct Submission + JOURNAL Exported Monday, August 15, 2016 from SnapGene 3.1.4 to Vector + NTI(R) format + http://www.snapgene.com +REFERENCE 2 (bases 1 to 5028) + AUTHORS Roemer,T., Madden,K., Chang,J. and Snyder,M. + TITLE Selection of axial growth sites in yeast requires Axl2p, a novel + plasma membrane glycoprotein + JOURNAL Genes Dev. 10 (7), 777-793 (1996) + PUBMED 8846915 +REFERENCE 3 (bases 1 to 5028) + AUTHORS Roemer,T. + TITLE Direct Submission + JOURNAL Submitted (22-FEB-1996) Terry Roemer, Biology, Yale University, New + Haven, CT, USA +COMMENT VNTDATE|745891200| +COMMENT VNTDBDATE|778204800| +COMMENT VNTNAME|pAAV-GFP-CellBioLab| +COMMENT VNTAUTHORNAME|avprok| +FEATURES Location/Qualifiers + misc_feature 1..130 + /label=Right ITR + enhancer 206..509 + /label=CMV enhancer + /note="human cytomegalovirus immediate early enhancer" + promoter 510..712 + /label=CMV promoter + /note="human cytomegalovirus (CMV) immediate early + promoter" + misc_feature 805..1297 + /label=Human beta-globin Intron + CDS 1320..2036 + /codon_start=1 + /product="enhanced GFP" + /label=EGFP + /note="mammalian codon-optimized" + repeat_region complement(2637..2777) + /label=Left ITR + /note="inverted terminal repeat of adeno-associated virus + serotype 2 + oooooo" + /prop=1 +ORIGIN + 1 cctgcaggca gctgcgcgct cgctcgctca ctgaggccgc ccgggcgtcg ggcgaccttt + 61 ggtcgcccgg cctcagtgag cgagcgagcg cgcagagagg gagtggccaa ctccatcact + 121 aggggttcct gcggccgcac gcgtctagtt attaatagta atcaattacg gggtcattag + 181 ttcatagccc atatatggag ttccgcgtta cataacttac ggtaaatggc ccgcctggct + 241 gaccgcccaa cgacccccgc ccattgacgt caataatgac gtatgttccc atagtaacgt + 301 caatagggac tttccattga cgtcaatggg tggagtattt acggtaaact gcccacttgg + 361 cagtacatca agtgtatcat atgccaagta cgccccctat tgacgtcaat gacggtaaat + 421 ggcccgcctg gcattatgcc cagtacatga ccttatggga ctttcctact tggcagtaca + 481 tctacgtatt agtcatcgct attaccatgg tgatgcggtt ttggcagtac atcaatgggc + 541 gtggatagcg gtttgactca cggggatttc caagtctcca ccccattgac gtcaatggga + 601 gtttgttttg caccaaaatc aacgggactt tccaaaatgt cgtaacaact ccgccccatt + 661 gacgcaaatg ggcggtaggc gtgtacggtg ggaggtctat ataagcagag ctcgtttagt + 721 gaaccgtcag atcgcctgga gacgccatcc acgctgtttt gacctccata gaagacaccg + 781 ggaccgatcc agcctccgcg gattcgaatc ccggccggga acggtgcatt ggaacgcgga + 841 ttccccgtgc caagagtgac gtaagtaccg cctatagagt ctataggccc acaaaaaatg + 901 ctttcttctt ttaatatact tttttgttta tcttatttct aatactttcc ctaatctctt + 961 tctttcaggg caataatgat acaatgtatc atgcctcttt gcaccattct aaagaataac + 1021 agtgataatt tctgggttaa ggcaatagca atatttctgc atataaatat ttctgcatat + 1081 aaattgtaac tgatgtaaga ggtttcatat tgctaatagc agctacaatc cagctaccat + 1141 tctgctttta ttttatggtt gggataaggc tggattattc tgagtccaag ctaggccctt + 1201 ttgctaatca tgttcatacc tcttatcttc ctcccacagc tcctgggcaa cgtgctggtc + 1261 tgtgtgctgg cccatcactt tggcaaagaa ttgggattcg aacatcgatt gaattctgaa + 1321 tggtgagcaa gggcgaggag ctgttcaccg gggtggtgcc catcctggtc gagctggacg + 1381 gcgacgtaaa cggccacaag ttcagcgtgt ccggcgaggg cgagggcgat gccacctacg + 1441 gcaagctgac cctgaagttc atctgcacca ccggcaagct gcccgtgccc tggcccaccc + 1501 tcgtgaccac cctgacctac ggcgtgcagt gcttcagccg ctaccccgac cacatgaagc + 1561 agcacgactt cttcaagtcc gccatgcccg aaggctacgt ccaggagcgc accatcttct + 1621 tcaaggacga cggcaactac aagacccgcg ccgaggtgaa gttcgagggc gacaccctgg + 1681 tgaaccgcat cgagctgaag ggcatcgact tcaaggagga cggcaacatc ctggggcaca + 1741 agctggagta caactacaac agccacaacg tctatatcat ggccgacaag cagaagaacg + 1801 gcatcaaggt gaacttcaag atccgccaca acatcgagga cggcagcgtg cagctcgccg + 1861 accactacca gcagaacacc cccatcggcg acggccccgt gctgctgccc gacaaccact + 1921 acctgagcac ccagtccgcc ctgagcaaag accccaacga gaagcgcgat cacatggtcc + 1981 tgctggagtt cgtgaccgcc gccgggatca ctctcggcat ggacgagctg tacaagtact + 2041 cagatctcga gctcaagtag ggatcctcta gagtcgacct gcagaagctt gcctcgagca + 2101 gcgctgctcg agagatctac gggtggcatc cctgtgaccc ctccccagtg cctctcctgg + 2161 ccctggaagt tgccactcca gtgcccacca gccttgtcct aataaaatta agttgcatca + 2221 ttttgtctga ctaggtgtcc ttctataata ttatggggtg gaggggggtg gtatggagca + 2281 aggggcaagt tgggaagaca acctgtaggg cctgcggggt ctattgggaa ccaagctgga + 2341 gtgcagtggc acaatcttgg ctcactgcaa tctccgcctc ctgggttcaa gcgattctcc + 2401 tgcctcagcc tcccgagttg ttgggattcc aggcatgcat gaccaggctc agctaatttt + 2461 tgtttttttg gtagagacgg ggtttcacca tattggccag gctggtctcc aactcctaat + 2521 ctcaggtgat ctacccacct tggcctccca aattgctggg attacaggcg tgaaccactg + 2581 ctcccttccc tgtccttctg attttgtagg taaccacgtg cggaccgagc ggccgcagga + 2641 acccctagtg atggagttgg ccactccctc tctgcgcgct cgctcgctca ctgaggccgg + 2701 gcgaccaaag gtcgcccgac gcccgggctt tgcccgggcg gcctcagtga gcgagcgagc + 2761 gcgcagctgc ctgcaggggc gcctgatgcg gtattttctc cttacgcatc tgtgcggtat + 2821 ttcacaccgc atacgtcaaa gcaaccatag tacgcgccct gtagcggcgc attaagcgcg + 2881 gcgggtgtgg tggttacgcg cagcgtgacc gctacacttg ccagcgccct agcgcccgct + 2941 cctttcgctt tcttcccttc ctttctcgcc acgttcgccg gctttccccg tcaagctcta + 3001 aatcgggggc tccctttagg gttccgattt agtgctttac ggcacctcga ccccaaaaaa + 3061 cttgatttgg gtgatggttc acgtagtggg ccatcgccct gatagacggt ttttcgccct + 3121 ttgacgttgg agtccacgtt ctttaatagt ggactcttgt tccaaactgg aacaacactc + 3181 aaccctatct cgggctattc ttttgattta taagggattt tgccgatttc ggcctattgg + 3241 ttaaaaaatg agctgattta acaaaaattt aacgcgaatt ttaacaaaat attaacgttt + 3301 acaattttat ggtgcactct cagtacaatc tgctctgatg ccgcatagtt aagccagccc + 3361 cgacacccgc caacacccgc tgacgcgccc tgacgggctt gtctgctccc ggcatccgct + 3421 tacagacaag ctgtgaccgt ctccgggagc tgcatgtgtc agaggttttc accgtcatca + 3481 ccgaaacgcg cgagacgaaa gggcctcgtg atacgcctat ttttataggt taatgtcatg + 3541 ataataatgg tttcttagac gtcaggtggc acttttcggg gaaatgtgcg cggaacccct + 3601 atttgtttat ttttctaaat acattcaaat atgtatccgc tcatgagaca ataaccctga + 3661 taaatgcttc aataatattg aaaaaggaag agtatgagta ttcaacattt ccgtgtcgcc + 3721 cttattccct tttttgcggc attttgcctt cctgtttttg ctcacccaga aacgctggtg + 3781 aaagtaaaag atgctgaaga tcagttgggt gcacgagtgg gttacatcga actggatctc + 3841 aacagcggta agatccttga gagttttcgc cccgaagaac gttttccaat gatgagcact + 3901 tttaaagttc tgctatgtgg cgcggtatta tcccgtattg acgccgggca agagcaactc + 3961 ggtcgccgca tacactattc tcagaatgac ttggttgagt actcaccagt cacagaaaag + 4021 catcttacgg atggcatgac agtaagagaa ttatgcagtg ctgccataac catgagtgat + 4081 aacactgcgg ccaacttact tctgacaacg atcggaggac cgaaggagct aaccgctttt + 4141 ttgcacaaca tgggggatca tgtaactcgc cttgatcgtt gggaaccgga gctgaatgaa + 4201 gccataccaa acgacgagcg tgacaccacg atgcctgtag caatggcaac aacgttgcgc + 4261 aaactattaa ctggcgaact acttactcta gcttcccggc aacaattaat agactggatg + 4321 gaggcggata aagttgcagg accacttctg cgctcggccc ttccggctgg ctggtttatt + 4381 gctgataaat ctggagccgg tgagcgtggg tctcgcggta tcattgcagc actggggcca + 4441 gatggtaagc cctcccgtat cgtagttatc tacacgacgg ggagtcaggc aactatggat + 4501 gaacgaaata gacagatcgc tgagataggt gcctcactga ttaagcattg gtaactgtca + 4561 gaccaagttt actcatatat actttagatt gatttaaaac ttcattttta atttaaaagg + 4621 atctaggtga agatcctttt tgataatctc atgaccaaaa tcccttaacg tgagttttcg + 4681 ttccactgag cgtcagaccc cgtagaaaag atcaaaggat cttcttgaga tccttttttt + 4741 ctgcgcgtaa tctgctgctt gcaaacaaaa aaaccaccgc taccagcggt ggtttgtttg + 4801 ccggatcaag agctaccaac tctttttccg aaggtaactg gcttcagcag agcgcagata + 4861 ccaaatactg tccttctagt gtagccgtag ttaggccacc acttcaagaa ctctgtagca + 4921 ccgcctacat acctcgctct gctaatcctg ttaccagtgg ctgctgccag tggcgataag + 4981 tcgtgtctta ccgggttgga ctcaagacga tagttaccgg ataaggcgca gcggtcgggc + 5041 tgaacggggg gttcgtgcac acagcccagc ttggagcgaa cgacctacac cgaactgaga + 5101 tacctacagc gtgagctatg agaaagcgcc acgcttcccg aagggagaaa ggcggacagg + 5161 tatccggtaa gcggcagggt cggaacagga gagcgcacga gggagcttcc agggggaaac + 5221 gcctggtatc tttatagtcc tgtcgggttt cgccacctct gacttgagcg tcgatttttg + 5281 tgatgctcgt caggggggcg gagcctatgg aaaaacgcca gcaacgcggc ctttttacgg + 5341 ttcctggcct tttgctggcc ttttgctcac atgt +// diff --git a/test/GB/pAAV_CMV_RPE65_PolyA_linkers.gb b/test/GB/pAAV_CMV_RPE65_PolyA_linkers.gb new file mode 100644 --- /dev/null +++ b/test/GB/pAAV_CMV_RPE65_PolyA_linkers.gb @@ -0,0 +1,148 @@ +LOCUS pAAV_CMV_RPE65_P 6265 bp ds-DNA linear 23-JAN-2019 +COMMENT Created by vasilyevaas@biocad.ru +COMMENT Core from file: pAAV_core_ITR2 +COMMENT +COMMENT ApEinfo:methylated:1 +FEATURES Location/Qualifiers + rep_origin 3743..4198 + /direction=RIGHT + /note="f1 bacteriophage origin of replication; arrow + indicates direction of (+) strand synthesis" + /label=f1 ori + /ApEinfo_fwdcolor="#999999" + /ApEinfo_revcolor="#999999" + /ApEinfo_graphicformat="arrow_data {{0 1 2 0 0 -1} {} 0} + width 5 offset 0" + promoter 4480..4584 + /gene="bla" + /label=AmpR promoter + /ApEinfo_fwdcolor="#346ee0" + /ApEinfo_revcolor="#346ee0" + /ApEinfo_graphicformat="arrow_data {{0 1 2 0 0 -1} {} 0} + width 5 offset 0" + CDS 4585..5445 + /codon_start=1 + /gene="bla" + /product="beta-lactamase" + /note="confers resistance to ampicillin, carbenicillin, + and related antibiotics" + /label=AmpR + /ApEinfo_fwdcolor="#e9d024" + /ApEinfo_revcolor="#e9d024" + /ApEinfo_graphicformat="arrow_data {{0 1 2 0 0 -1} {} 0} + width 5 offset 0" + misc_feature 3528..3668 + /label=RightITR2 + /ApEinfo_fwdcolor="#7eff74" + /ApEinfo_revcolor="#7eff74" + /ApEinfo_graphicformat="arrow_data {{0 1 2 0 0 -1} {} 0} + width 5 offset 0" + misc_feature complement(200) + /label=A->T +ORIGIN + 1 CCTGCAGGCA GCTGCGCGCT CGCTCGCTCA CTGAGGCCGC CCGGGCGTCG GGCGACCTTT + 61 GGTCGCCCGG CCTCAGTGAG CGAGCGAGCG CGCAGAGAGG GAGTGGCCAA CTCCATCACT + 121 AGGGGTTCCT GCGGCCCGAC ATTCCGGAGG TACCTCTAGA TTGGCAAACA GCTATTATGG + 181 GTATTATGGG Tctagttatt aatagtaatc aattacgggg tcattagttc atagcccata + 241 tatggagttc cgcgttacat aacttacggt aaatggcccg cctggctgac cgcccaacga + 301 cccccgccca ttgacgtcaa taatgacgta tgttcccata gtaacgccaa tagggacttt + 361 ccattgacgt caatgggtgg agtatttacg gtaaactgcc cacttggcag tacatcaagt + 421 gtatcatatg ccaagtacgc cccctattga cgtcaatgac ggtaaatggc ccgcctggca + 481 ttatgcccag tacatgacct tatgggactt tcctacttgg cagtacatct acgtattagt + 541 catcgctatt accatggtga tgcggttttg gcagtacatc aatgggcgtg gatagcggtt + 601 tgactcacgg ggatttccaa gtctccaccc cattgacgtc aatgggagtt tgttttgGca + 661 ccaaaatcaa cgggactttc caaaatgtcg taacaactcc gccccattga cgcaaatggg + 721 cggtaggcgt gtacggtggg aggtctatat aagcagagct cgtttagtga accgtcagat + 781 cgcctggaga cgccatccac gctgttttga cctccataga agacaccggg accgatccag + 841 cctccgcgga ttcgaatccc ggccgggaac ggtgcattgg aacgcggatt ccccgtgcca + 901 agagtgacgt aagtaccgcc tatagagtct ataggcccac aaaaaatgct ttcttctttt + 961 aatatacttt tttgtttatc ttatttctaa tactttccct aatctctttc tttcagggca + 1021 ataatgatac aatgtatcat gcctctttgc accattctaa agaataacag tgataatttc + 1081 tgggttaagg caatagcaat atttctgcat ataaatattt ctgcatataa attgtaactg + 1141 atgtaagagg tttcatattg ctaatagcag ctacaatcca gctaccattc tgcttttatt + 1201 ttatggttgg gataaggctg gattattctg agtccaagct aggccctttt gctaatcatg + 1261 ttcatacctc ttatcttcct cccacagctc ctgggcaacg tgctggtctg tgtgctggcc + 1321 catcactttg gcaaagaatt gggatCGTAA CTATAACGGT CCTAAGGTAG CGAAATGAGC + 1381 ATCCAAGTCG AGCACCCCGC AGGCGGGTAC AAGAAGTTAT TTGAAACGGT AGAAGAGCTG + 1441 TCGTCGCCTC TGACCGCTCA TGTAACAGGA CGGATACCTC TGTGGTTGAC AGGTTCTTTA + 1501 TTACGCTGCG GACCCGGCCT GTTCGAAGTT GGCTCCGAGC CCTTTTACCA CCTGTTCGAC + 1561 GGCCAAGCAC TGCTCCACAA GTTCGACTTT AAAGAGGGCC ACGTGACGTA CCATAGAAGG + 1621 TTCATCAGGA CGGATGCTTA CGTCCGCGCA ATGACGGAAA AGCGGATCGT AATCACGGAG + 1681 TTCGGGACAT GTGCCTTCCC CGACCCCTGT AAGAACATCT TCTCCCGCTT CTTTAGTTAC + 1741 TTTCGGGGCG TGGAGGTTAC TGACAATGCC CTGGTTAACG TATACCCTGT CGGGGAAGAC + 1801 TATTACGCCT GCACAGAGAC CAACTTCATT ACGAAGATCA ATCCTGAGAC GCTGGAGACC + 1861 ATCAAGCAAG TCGATCTGTG CAATTACGTC TCGGTGAATG GCGCCACCGC GCATCCACAC + 1921 ATTGAAAACG ACGGCACTGT GTATAATATC GGCAACTGCT TCGGCAAGAA CTTCTCGATA + 1981 GCATACAACA TTGTGAAGAT CCCACCGCTT CAGGCTGACA AGGAGGACCC CATCTCAAAG + 2041 TCGGAAATAG TGGTCCAGTT CCCCTGCTCA GACAGGTTCA AACCTAGCTA TGTCCACTCG + 2101 TTTGGTCTGA CCCCGAATTA TATCGTTTTC GTGGAGACCC CGGTCAAGAT TAACCTGTTC + 2161 AAATTCCTCA GCTCATGGTC CCTCTGGGGC GCAAACTACA TGGACTGCTT CGAGTCCAAC + 2221 GAAACAATGG GCGTATGGCT CCATATCGCC GACAAGAAGC GGAAAAAGTA CCTGAACAAC + 2281 AAGTACCGCA CCTCGCCCTT CAACCTCTTT CATCACATCA ACACCTACGA GGACAACGGC + 2341 TTCCTCATCG TAGACCTCTG CTGCTGGAAG GGCTTCGAGT TTGTCTACAA CTACCTGTAC + 2401 CTGGCAAACC TGAGGGAAAA CTGGGAAGAG GTCAAAAAGA ACGCCCGTAA GGCACCACAA + 2461 CCCGAGGTGC GCCGGTACGT CCTGCCCCTT AACATAGACA AAGCAGACAC AGGGAAGAAC + 2521 TTAGTGACTT TGCCTAACAC AACCGCGACT GCGATCCTAT GTTCCGACGA GACTATCTGG + 2581 CTGGAGCCTG AGGTGTTATT TTCTGGCCCC AGACAGGCAT TCGAGTTTCC CCAGATTAAC + 2641 TATCAGAAGT ACTGCGGAAA GCCATACACG TATGCCTACG GTCTCGGCCT GAATCATTTC + 2701 GTGCCTGACC GCCTGTGTAA GTTGAACGTA AAAACTAAAG AAACCTGGGT GTGGCAGGAG + 2761 CCCGACTCAT ACCCTTCCGA GCCCATATTT GTCAGTCACC CTGATGCACT GGAAGAGGAC + 2821 GATGGAGTGG TGTTGTCTGT CGTCGTGAGC CCAGGGGCCG GTCAGAAGCC AGCCTACCTA + 2881 TTGATTCTCA ACGCGAAGGA CCTGTCTGAG GTCGCGCGGG CGGAGGTCGA AATCAATATC + 2941 CCCGTTACGT TCCACGGCCT CTTTAAGAAG TCGTAGGGAT AACAGGGTAA TGTCGACAAG + 3001 CTTGCTAGCA CGGGTGGCAT CCCTGTGACC CCTCCCCAGT GCCTCTCCTG GCCCTGGAAG + 3061 TTGCCACTCC AGTGCCCACC AGCCTTGTCC TAATAAAATT AAGTTGCATC ATTTTGTCTG + 3121 ACTAGGTGTC CTTCTATAAT ATTATGGGGT GGAGGGGGGT GGTATGGAGC AAGGGGCAAG + 3181 TTGGGAAGAC AACCTGTAGG GCCTGCGGGG TCTATTGGGA ACCAAGCTGG AGTGCAGTGG + 3241 CACAATCTTG GCTCACTGCA ATCTCCGCCT CCTGGGTTCA AGCGATTCTC CTGCCTCAGC + 3301 CTCCCGAGTT GTTGGGATTC CAGGCATGCA TGACCAGGCT CAGCTAATTT TTGTTTTTTT + 3361 GGTAGAGACG GGGTTTCACC ATATTGGCCA GGCTGGTCTC CAACTCCTAA TCTCAGGTGA + 3421 TCTACCCACC TTGGCCTCCC AAATTGCTGG GATTACAGGC GTGAACCACT GCTCCCTTCC + 3481 CTGTCCTTAT GCATGGGCCC GTACGATCAC TAGTGTACAG CGGCCGCAGG AACCCCTAGT + 3541 GATGGAGTTG GCCACTCCCT CTCTGCGCGC TCGCTCGCTC ACTGAGGCCG GGCGACCAAA + 3601 GGTCGCCCGA CGCCCGGGCT TTGCCCGGGC GGCCTCAGTG AGCGAGCGAG CGCGCAGCTG + 3661 CCTGCAGGgg cgcctgatgc ggtattttct ccttacgcat ctgtgcggta tttcacaccg + 3721 catacgtcaa agcaaccata gtacgcgccc tgtagcggcg cattaagcgc ggcgggtgtg + 3781 gtggttacgc gcagcgtgac cgctacactt gccagcgcct tagcgcccgc tcctttcgct + 3841 ttcttccctt cctttctcgc cacgttcgcc ggctttcccc gtcaagctct aaatcggggg + 3901 ctccctttag ggttccgatt tagtgcttta cggcacctcg accccaaaaa acttgatttg + 3961 ggtgatggtt cacgtagtgg gccatcgccc tgatagacgg tttttcgccc tttgacgttg + 4021 gagtccacgt tctttaatag tggactcttg ttccaaactg gaacaacact caactctatc + 4081 tcgggctatt cttttgattt ataagggatt ttgccgattt cggtctattg gttaaaaaat + 4141 gagctgattt aacaaaaatt taacgcgaat tttaacaaaa tattaacgtt tacaatttta + 4201 tggtgcactc tcagtacaat ctgctctgat gccgcatagt taagccagcc ccgacacccg + 4261 ccaacacccg ctgacgcgcc ctgacgggct tgtctgctcc cggcatccgc ttacagacaa + 4321 gctgtgaccg tctccgggag ctgcatgtgt cagaggtttt caccgtcatc accgaaacgc + 4381 gcgagacgaa agggcctcgt gatacgccta tttttatagg ttaatgtcat gataataatg + 4441 gtttcttaga cgtcaggtgg cacttttcgg ggaaatgtgc gcggaacccc tatttgttta + 4501 tttttctaaa tacattcaaa tatgtatccg ctcatgagac aataaccctg ataaatgctt + 4561 caataatatt gaaaaaggaa gagtatgagt attcaacatt tccgtgtcgc ccttattccc + 4621 ttttttgcgg cattttgcct tcctgttttt gctcacccag aaacgctggt gaaagtaaaa + 4681 gatgctgaag atcagttggg tgcacgagtg ggttacatcg aactggatct caacagcggt + 4741 aagatccttg agagttttcg ccccgaagaa cgttttccaa tgatgagcac ttttaaagtt + 4801 ctgctatgtg gcgcggtatt atcccgtatt gacgccgggc aagagcaact cggtcgccgc + 4861 atacactatt ctcagaatga cttggttgag tactcaccag tcacagaaaa gcatcttacg + 4921 gatggcatga cagtaagaga attatgcagt gctgccataa ccatgagtga taacactgcg + 4981 gccaacttac ttctgacaac gatcggagga ccgaaggagc taaccgcttt tttgcacaac + 5041 atgggggatc atgtaactcg ccttgatcgt tgggaaccgg agctgaatga agccatacca + 5101 aacgacgagc gtgacaccac gatgcctgta gcaatggcaa caacgttgcg caaactatta + 5161 actggcgaac tacttactct agcttcccgg caacaattaa tagactggat ggaggcggat + 5221 aaagttgcag gaccacttct gcgctcggcc cttccggctg gctggtttat tgctgataaa + 5281 tctggagccg gtgagcgtgg gtctcgcggt atcattgcag cactggggcc agatggtaag + 5341 ccctcccgta tcgtagttat ctacacgacg gggagtcagg caactatgga tgaacgaaat + 5401 agacagatcg ctgagatagg tgcctcactg attaagcatt ggtaactgtc agaccaagtt + 5461 tactcatata tactttagat tgatttaaaa cttcattttt aatttaaaag gatctaggtg + 5521 aagatccttt ttgataatct catgaccaaa atcccttaac gtgagttttc gttccactga + 5581 gcgtcagacc ccgtagaaaa gatcaaagga tcttcttgag atcctttttt tctgcgcgta + 5641 atctgctgct tgcaaacaaa aaaaccaccg ctaccagcgg tggtttgttt gccggatcaa + 5701 gagctaccaa ctctttttcc gaaggtaact ggcttcagca gagcgcagat accaaatact + 5761 gttcttctag tgtagccgta gttaggccac cacttcaaga actctgtagc accgcctaca + 5821 tacctcgctc tgctaatcct gttaccagtg gctgctgcca gtggcgataa gtcgtgtctt + 5881 accgggttgg actcaagacg atagttaccg gataaggcgc agcggtcggg ctgaacgggg + 5941 ggttcgtgca cacagcccag cttggagcga acgacctaca ccgaactgag atacctacag + 6001 cgtgagctat gagaaagcgc cacgcttccc gaagggagaa aggcggacag gtatccggta + 6061 agcggcaggg tcggaacagg agagcgcacg agggagcttc cagggggaaa cgcctggtat + 6121 ctttatagtc ctgtcgggtt tcgccacctc tgacttgagc gtcgattttt gtgatgctcg + 6181 tcaggggggc ggagcctatg gaaaaacgcc agcaacgcgg cctttttacg gttcctggcc + 6241 ttttgctggc cttttgctca catgt +// diff --git a/test/GB/pIntA-TRBV.gb b/test/GB/pIntA-TRBV.gb new file mode 100644 --- /dev/null +++ b/test/GB/pIntA-TRBV.gb @@ -0,0 +1,177 @@ +LOCUS P2-32_pIntA-TRBV5-1_J1-1-Fc-lama-knob-EPEA 5960 bp circular 27-NOV-2020 +SOURCE + ORGANISM +COMMENT This file is created by Vector NTI + http://www.invitrogen.com/ +COMMENT ORIGDB|GenBank +COMMENT VNTDATE|-13020134| +COMMENT VNTDBDATE|-13020134| +COMMENT LSOWNER| +COMMENT VNTNAME|pIntA-mIgK-GFP-stuffer-KpnI-EPEA| +COMMENT VNTAUTHORNAME|Demo User| +BASE COUNT 1711 a 1577 c 1543 g 1830 t +EMBL_ID P1-79_pIntA-mIgK-GFP-stuffer-KpnI-EPEA 5945 bp circular 14-OCT-2020 +EMBL_ID P1-79_pIntA-mIgK-GFP-stuffer-KpnI-EPEA 6661 bp circular 29-JAN-2020 +EMBL_ID pIntA-mIgK-GFP-s 6661 bp DNA circular 4-OCT-2019 +EMBL_ID P1-79_pIntA-mIgK-GFP-stuffer-KpnI-EPEA 5945 bp circular 17-SEP-2020 +EMBL_ID P2-32_pIntA-TRBV5-1_J1-1-Fc-lama-knob-EPEA 5945 bp circular 19-OCT-2020 +UNIMARK P2-32 pIntA-TRBV5-1_J1-1-Fc-lama-knob-EPEA annotations + P2-32 pIntA-TRBV5-1_J1-1-Fc-lama-knob-EPEA +FEATURES Location/Qualifiers + enhancer 449..858 + /label="cmv enhanser" + /vntifkey=9 + misc_feature 859..984 + /label="hCMV promoter" + /vntifkey=21 + intron 1012..1919 + /label="IntronA" + /vntifkey=15 + misc_feature 1948..1953 + /label="Kozak" + /vntifkey=21 + misc_feature 1954..2013 + /label="mIgK Leader" + /vntifkey=21 + misc_feature 1954..1956 + /label="START" + /vntifkey=21 + misc_feature 2014..2355 + /ugene_name="TRBV5-1\ J1-6" + misc_feature 2356..2370 + /label="human hinge" + /vntifkey=21 + /ugene_name="human\ hinge" + misc_feature 2371..3042 + /label="Fc-lama-knob" + /vntifkey=21 + /ugene_name="Fc-lama-knob" + misc_feature 2755..2757 + /label="G130C" + /vntifkey=21 + /ugene_name="G130C" + misc_feature 2791..2793 + /label="W" + /vntifkey=21 + /ugene_name="W" + misc_feature 3043..3069 + /label="EPEA-tag" + /vntifkey=21 + misc_feature 3044..3049 + /label="KpnI added" + /vntifkey=21 + misc_feature 3070..3075 + /label="STOP" + /vntifkey=21 + misc_feature 3088..3326 + /gene="SV40_PA term" + /label="SV40_PA term" + /vntifkey=21 + rep_origin 3591..3984 + /label="EBV ori" + /vntifkey=33 + CDS 4552..5412 + /label="AmpR" + /vntifkey=4 +ORIGIN + 1 CCTACAGCGT GAGCTATGAG AAAGCGCCAC GCTTCCCGAA GGGAGAAAGG CGGACAGGTA + 61 TCCGGTAAGC GGCAGGGTCG GAACAGGAGA GCGCACGAGG GAGCTTCCAG GGGGAAACGC + 121 CTGGTATCTT TATAGTCCTG TCGGGTTTCG CCACCTCTGA CTTGAGCGTC GATTTTTGTG + 181 ATGCTCGTCA GGGGGGCGGA GCCTATGGAA AAACGCCAGC AACGCGGCCT TTTTACGGTT + 241 CCTGGCCTTT TGCTGGCCTT TTGCTCACAT GTTCTTTCCT GCGTTATCCC CTGATTCTGT + 301 GGATAACCGT ATTACCGCCT TTGAGTGAGC TGATACCGCT CGCCGCAGCC GAACGACCGA + 361 GCGCAGCGAG TCAGTGAGCG AGGAAGCGTA CATTTATATT GGCTCATGTC CAATATGACC + 421 GCCATGTTGA CATTGATTAT TGACTAGACC GCGTTACATA ACTTACGGTA AATGGCCCGC + 481 CTGGCTGACC GCCCAACGAC CCCCGCCCAT TGACGTCAAT AATGACGTAT GTTCCCATAG + 541 TAACGCCAAT AGGGACTTTC CATTGACGTC AATGGGTGGA GTATTTACGG TAAACTGCCC + 601 ACTTGGCAGT ACATCAAGTG TATCATATGC CAAGTACGCC CCCTATTGAC GTCAATGACG + 661 GTAAATGGCC CGCCTGGCAT TATGCCCAGT ACATGACCTT ATGGGACTTT CCTACTTGGC + 721 AGTACATCTA CGTATTAGTC ATCGCTATTA CCATGGTGAT GCGGTTTTGG CAGTACATCA + 781 ATGGGCGTGG ATAGCGGTTT GACTCACGGG GATTTCCAAG TCTCCACCCC ATTGACGTCA + 841 ATGGGAGTTT GTTTTGGCAC CAAAATCAAC GGGACTTTCC AAAATGTCGT AACAACTCCG + 901 CCCCATTGAC GCAAATGGGC GGTAGGCGTG TACGGTGGGA GGTCTATATA AGCAGAGCTC + 961 GTTTAGTGAA CCGTCAGATC GCCTGGAGAC GCCATCCACG CTGTTTTGAC CTCCATAGAA + 1021 GACACCGGGA CCGATCCAGC CTCCGCGGCC GGGAACGGTG CATTGGAACG CGGATTCCCC + 1081 GTGCCAAGAG TGACGTAAGT ACCGCCTATA GAGTCTATAG GCCCACCCCC TTGGCTTCTT + 1141 ATGCATGCTA TACTGTTTTT GGCTTGGGGT CTATACACCC CCGCTTCCTC ATGTTATAGG + 1201 TGATGGTATA GCTTAGCCTA TAGGTGTGGG TTATTGACCA TTATTGACCA CTCCCCTATT + 1261 GGTGACGATA CTTTCCATTA CTAATCCATA ACATGGCTCT TTGCCACAAC TCTCTTTATT + 1321 GGCTATATGC CAATACACTG TCCTTCAGAG ACTGACACGG ACTCTGTATT TTTACAGGAT + 1381 GGGGTCTCAT TTATTATTTA CAAATTCACA TATACAACAC CACCGTCCCC AGTGCCCGCA + 1441 GTTTTTATTA AACATAACGT GGGATCTCCA CGCGAATCTC GGGTACGTGT TCCGGACATG + 1501 GGCTCATCTC CGGTAGCGGC GGAGCTTCTA CATCCGAGCC CTGCTCCCAT GCCTCCAGCG + 1561 ACTCATGGTC GCTCGGCAGC TCCTTGCTCC TAACAGTGGA GGCCAGACTT AGGCACAGCA + 1621 CGATGCCCAC CACCACCAGT GTGCCGCACA AGGCCGTGGC GGTAGGGTAT GTGTCTGAAA + 1681 ATGAGCTCGG GGAGCGGGCT TGCACCGCTG ACGCATTTGG AAGACTTAAG GCAGCGGCAG + 1741 AAGAAGATGC AGGCAGCTGA GTTGTTGTGT TCTGATAAGA GTCAGAGGTA ACTCCCGTTG + 1801 CGGTGCTGTT AACGGTGGAG GGCAGTGTAG TCTGAGCAGT ACTCGTTGCT GCCGCGCGCG + 1861 CCACCAGACA TAATAGCTGA CAGACTAACA GACTGTTCCT TTCCATGGGT CTTTTCTGCA + 1921 GTCACCGTCC TTGACACGAA GCTTGCCGCC ACCATGGAGA CCGACACCCT GCTGCTGTGG + 1981 GTGCTGCTGC TGTGGGTGCC CGGGTCGACC GGTGCAGGTG TCACACAGAC CCCACGATAC + 2041 TTAATTAAAA CACGCGGCCA GCAGGTCACA TTAAGTTGTT CTCCTATTTC TGGACATAGA + 2101 AGCGTGTCCT GGTATCAGCA GACTCCAGGC CAAGGTTTGC AATTTCTCTT CGAGTATTTC + 2161 AGTGAGACCC AGCGGAACAA GGGCAACTTT CCTGGGAGAT TCAGCGGGCG ACAATTCTCC + 2221 AACTCACGGT CCGAAATGAA CGTCTCGACC CTGGAATTAG GGGACTCAGC ACTATACCTT + 2281 TGTGCTTCAT CCTTAGAGGC AAGCTCTTAC AACAGCCCAC TTCATTTTGG AAATGGTACA + 2341 CGATTGACAG TTACCGACAA AACTCACACT TGTCCCCAAT GTCCAGCCCC TGAGCTCCCA + 2401 GGAGGGCCCT CTGTCTTTGT CTTCCCCCCG AAACCCAAGG ACGTCCTCTC CATTTCTGGG + 2461 AGGCCCGAGG TCACGTGCGT TGTAGTGGAC GTCGGAAAGG AAGACCCCGA GGTCAATTTC + 2521 AACTGGTATA TTGATGGCGT TGAGGTGCGA ACGGCCAATA CGAAGCCAAA AGAGGAACAG + 2581 TTCAACAGCA CGTACCGCGT GGTCAGCGTC CTGCCCATCC AGCACCAGGA CTGGCTGACG + 2641 GGGAAGGAAT TCAAGTGCAA GGTCAACAAC AAAGCTCTCC CGGCCCCCAT CGAGAGGACC + 2701 ATCTCCAAGG CCAAAGGGCA AACCCGGGAG CCGCAGGTGT ACACCCTGGC CCCATGCCGG + 2761 GAAGAGCTGG CCAAGGACAC CGTGAGCGTA TGGTGCCTGG TCAAAGGCTT CTACCCAGCT + 2821 GACATCAACG TTGAGTGGCA AAGGAACGGT CAGCCGGAGT CAGAGGGCAC CTATGCCAAC + 2881 ACGCCGCCAC AGCTGGACAA CGACGGGACC TACTTCCTCT ACAGCAAGCT CTCGGTGGGA + 2941 AAGAACACGT GGCAGCGGGG AGAAACCTTA ACCTGTGTGG TGATGCATGA GGCCCTGCAC + 3001 AACCACTACA CCCAGAAATC CATCTCCCAG TCTCCGGGTA AAGGGTACCA GGACTATGAG + 3061 CCCGAAGCCT AATAGTCTAG ACCTAGGTGA TCATAATCAG CCATACCACA TTTGTAGAGG + 3121 TTTTACTTGC TTTAAAAAAC CTCCCACACC TCCCCCTGAA CCTGAAACAT AAAATGAATG + 3181 CAATTGTTGT TGTTAACTTG TTTATTGCAG CTTATAATGG TTACAAATAA AGCAATAGCA + 3241 TCACAAATTT CACAAATAAA GCATTTTTTT CACTGCATTC TAGTTGTGGT TTGTCCAAAC + 3301 TCATCAATGT ATCTTATCAT GTCTGGAGAT CTCTAGCTAG AGGATCGATC CCCGCCCCGG + 3361 ACGAACTAAA CCTGACTACG ACATCTCTGC CCCTTCTTCG CGGGGCAGTG CATGTAATCC + 3421 CTTCAGTTGG TTGGTACAAC TTGCCAACTG AACCCTAAAC GGGTAGCATA TGCTTCCCGG + 3481 GTAGTAGTAT ATACTATCCA GACTAACCCT AATTCAATAG CATATGTTAC CCAACGGGAA + 3541 GCATATGCTA TCGAATTAGG GTTAGTAAAA GGGTCCTAAG GAACAGCGAT GTAGGTGGGC + 3601 GGGCCAAGAT AGGGGCGCGA TTGCTGCGAT CTGGAGGACA AATTACACAC ACTTGCGCCT + 3661 GAGCGCCAAG CACAGGGTTG TTGGTCCTCA TATTCACGAG GTCGCTGAGA GCACGGTGGG + 3721 CTAATGTTGC CATGGGTAGC ATATACTACC CAAATATCTG GATAGCATAT GCTATCCTAA + 3781 TCTATATCTG GGTAGCATAG GCTATCCTAA TCTATATCTG GGTAGCATAT GCTATCCTAA + 3841 TCTATATCTG GGTAGTATAT GCTATCCTAA TTTATATCTG GGTAGCATAG GCTATCCTAA + 3901 TCTATATCTG GGTAGCATAT GCTATCCTAA TCTATATCTG GGTAGTATAT GCTATCCTAA + 3961 TCTGTATCCG GGTAGCATAT GCTATCCTAA TAGAGATTAG GGTAGTATAT GCTATCCTAA + 4021 TTTATATCTG GGTAGCATAT ACTACCCAAA TATCTGGATA GCATATGCTA TCCTAATCTA + 4081 TATCTGGGTA GCATATGCTA TCCTAATCTA TATCTGGGTA GCATAGGCTA TCCTAATCTA + 4141 TATCTGGGTA GCATATGCTA TCCTAATCTA TATCTGGGTA GTATATGCTA TCCTAATTTA + 4201 TATCTGGGTA GCATAGGCTA TCCTAATCTA TATCTGGGTA GCATATGCTA TCCTAATCTA + 4261 TATCTGGGTA GTATATGCTA TCCTAATCTG TATCCGGGTA GCATATGCTA TCCTCATGAT + 4321 AAGCTGTCAA ACATGAGAAT TAATTCTTGA AGACGAAAGG GCCTCGTGAT ACGCCTATTT + 4381 TTATAGGTTA ATGTCATGAT AATAATGGTT TCTTAGACGT CAGGTGGCAC TTTTCGGGGA + 4441 AATGTGCGCG GAACCCCTAT TTGTTTATTT TTCTAAATAC ATTCAAATAT GTATCCGCTC + 4501 ATGAGACAAT AACCCTGATA AATGCTTCAA TAATATTGAA AAAGGAAGAG TATGAGTATT + 4561 CAACATTTCC GTGTCGCCCT TATTCCCTTT TTTGCGGCAT TTTGCCTTCC TGTTTTTGCT + 4621 CACCCAGAAA CGCTGGTGAA AGTAAAAGAT GCTGAAGATC AGTTGGGTGC ACGAGTGGGT + 4681 TACATCGAAC TGGATCTCAA CAGCGGTAAG ATCCTTGAGA GTTTTCGCCC CGAAGAACGT + 4741 TTTCCAATGA TGAGCACTTT TAAAGTTCTG CTATGTGGCG CGGTATTATC CCGTGTTGAC + 4801 GCCGGGCAAG AGCAACTCGG TCGCCGCATA CACTATTCTC AGAATGACTT GGTTGAGTAC + 4861 TCACCAGTCA CAGAAAAGCA TCTTACGGAT GGCATGACAG TAAGAGAATT ATGCAGTGCT + 4921 GCCATAACCA TGAGTGATAA CACTGCGGCC AACTTACTTC TGACAACGAT CGGAGGACCG + 4981 AAGGAGCTAA CCGCTTTTTT GCACAACATG GGGGATCATG TAACTCGCCT TGATCGTTGG + 5041 GAACCGGAGC TGAATGAAGC CATACCAAAC GACGAGCGTG ACACCACGAT GCCTGCAGCA + 5101 ATGGCAACAA CGTTGCGCAA ACTATTAACT GGCGAACTAC TTACTCTAGC TTCCCGGCAA + 5161 CAATTAATAG ACTGGATGGA GGCGGATAAA GTTGCAGGAC CACTTCTGCG CTCGGCCCTT + 5221 CCGGCTGGCT GGTTTATTGC TGATAAATCT GGAGCCGGTG AGCGTGGGTC TCGCGGTATC + 5281 ATTGCAGCAC TGGGGCCAGA TGGTAAGCCC TCCCGTATCG TAGTTATCTA CACGACGGGG + 5341 AGTCAGGCAA CTATGGATGA ACGAAATAGA CAGATCGCTG AGATAGGTGC CTCACTGATT + 5401 AAGCATTGGT AACTGTCAGA CCAAGTTTAC TCATATATAC TTTAGATTGA TTTAAAACTT + 5461 CATTTTTAAT TTAAAAGGAT CTAGGTGAAG ATCCTTTTTG ATAATCTCAT GACCAAAATC + 5521 CCTTAACGTG AGTTTTCGTT CCACTGAGCG TCAGACCCCG TAGAAAAGAT CAAAGGATCT + 5581 TCTTGAGATC CTTTTTTTCT GCGCGTAATC TGCTGCTTGC AAACAAAAAA ACCACCGCTA + 5641 CCAGCGGTGG TTTGTTTGCC GGATCAAGAG CTACCAACTC TTTTTCCGAA GGTAACTGGC + 5701 TTCAGCAGAG CGCAGATACC AAATACTGTT CTTCTAGTGT AGCCGTAGTT AGGCCACCAC + 5761 TTCAAGAACT CTGTAGCACC GCCTACATAC CTCGCTCTGC TAATCCTGTT ACCAGTGGCT + 5821 GCTGCCAGTG GCGATAAGTC GTGTCTTACC GGGTTGGACT CAAGACGATA GTTACCGGAT + 5881 AAGGCGCAGC GGTCGGGCTG AACGGGGGGT TCGTGCACAC AGCCCAGCTT GGAGCGAACG + 5941 ACCTACACCG AACTGAGATA +// diff --git a/test/MAE/Capri.mae b/test/MAE/Capri.mae new file mode 100644 --- /dev/null +++ b/test/MAE/Capri.mae @@ -0,0 +1,993 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_id + s_m_entry_name + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + b_ppw_prepared + s_ppw_entry_id_backup + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + i_m_ct_format + ::: + 1PPE_I + 1 + 1ppe.1 + /Users/piane_ramso/Ya.Disk/Yandex.Disk/Work/biocad/hedge/benchmark_dataset_prep_min/1PPE + 1PPE_l.mae + 1 + 1 + 158 + 1 + 1 + 1 + 1 + 1 + "THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES" + 1PPE + 59.28 + 55.47 + 74.59 + 90 + 90 + 90 + "P 21 21 21" + 4 + "HYDROLASE(SERINE PROTEINASE)" + 24-OCT-91 + 3.15 + 0.150999993085861 + 2 + "X-RAY DIFFRACTION" + "E, I" + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 2 + m_atom[436] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + i_m_ribbon_style + i_m_ribbon_color + s_m_ribbon_color_rgb + r_m_pdb_occupancy + r_m_pdb_tfactor + i_pdb_PDB_serial + i_pdb_seqres_index + ::: + 1 32 1.045806 16.243501 -11.758674 1 R I 38 "ARG " " N " 7 1 2F2FFF N4987 0 1 2 <> 1 33.34 1631 1 + 2 3 1.717287 15.105202 -11.079676 1 R I 2 "ARG " " CA " 6 0 A0A0A0 C4988 0 1 -9 006400 1 32.42 1632 1 + 3 2 0.747490 13.951791 -10.856091 1 R I 2 "ARG " " C " 6 0 A0A0A0 C4989 0 1 2 <> 1 24.38 1633 1 + 4 15 -0.472792 14.159266 -10.705597 1 R I 75 "ARG " " O " 8 0 FF5757 O4990 0 1 2 <> 1 27.42 1634 1 + 5 3 2.243528 15.549650 -9.707256 1 R I 2 "ARG " " CB " 6 0 A0A0A0 C4991 0 1 2 <> 1 18.37 1635 1 + 6 3 1.558311 16.839504 -9.363403 1 R I 2 "ARG " " CG " 6 0 A0A0A0 C4992 0 1 2 <> 1 13.85 1636 1 + 7 3 2.353141 17.580441 -8.273873 1 R I 2 "ARG " " CD " 6 0 A0A0A0 C4993 0 1 2 <> 1 20.56 1637 1 + 8 25 2.258265 16.794240 -7.076598 1 R I 38 "ARG " " NE " 7 0 2F2FFF N4994 0 1 2 <> 1 37.25 1638 1 + 9 2 1.276688 16.787280 -6.177455 1 R I 2 "ARG " " CZ " 6 0 A0A0A0 C4995 0 1 2 <> 1 28.69 1639 1 + 10 25 0.210799 17.604860 -6.115106 1 R I 38 "ARG " " NH1" 7 0 2F2FFF N4996 0 1 2 <> 1 30.8 1640 1 + 11 31 1.594570 16.076692 -5.156031 1 R I 38 "ARG " " NH2" 7 1 2F2FFF N4997 0 1 2 <> 1 23.22 1641 1 + 12 25 1.355158 12.800065 -10.856798 2 V I 38 "VAL " " N " 7 0 2F2FFF N4998 0 1 2 <> 1 16.32 1642 2 + 13 3 0.608730 11.590119 -10.530758 2 V I 2 "VAL " " CA " 6 0 A0A0A0 C4999 0 1 -9 006400 1 15.6 1643 2 + 14 2 0.657538 11.338644 -9.026648 2 V I 2 "VAL " " C " 6 0 A0A0A0 C5000 0 1 2 <> 1 14.33 1644 2 + 15 15 1.628172 10.835443 -8.457929 2 V I 75 "VAL " " O " 8 0 FF5757 O5001 0 1 2 <> 1 12.69 1645 2 + 16 3 1.101793 10.419460 -11.388193 2 V I 2 "VAL " " CB " 6 0 A0A0A0 C5002 0 1 2 <> 1 21.44 1646 2 + 17 3 0.371775 9.084017 -11.149806 2 V I 2 "VAL " " CG1" 6 0 A0A0A0 C5003 0 1 2 <> 1 13.21 1647 2 + 18 3 1.115495 10.849804 -12.867967 2 V I 2 "VAL " " CG2" 6 0 A0A0A0 C5004 0 1 2 <> 1 15.92 1648 2 + 19 25 -0.424388 11.737257 -8.379170 3 C I 38 "CYS " " N " 7 0 2F2FFF N5005 0 1 2 <> 1 15.61 1649 3 + 20 3 -0.491565 11.423272 -6.955715 3 C I 2 "CYS " " CA " 6 0 A0A0A0 C5006 0 1 -9 006400 1 8.79 1650 3 + 21 2 -1.739273 10.574160 -6.587587 3 C I 2 "CYS " " C " 6 0 A0A0A0 C5007 0 1 2 <> 1 11.83 1651 3 + 22 15 -2.858996 11.059662 -6.708887 3 C I 75 "CYS " " O " 8 0 FF5757 O5008 0 1 2 <> 1 3.56 1652 3 + 23 3 -0.438624 12.800897 -6.272657 3 C I 2 "CYS " " CB " 6 0 A0A0A0 C5009 0 1 2 <> 1 14.41 1653 3 + 24 49 -0.703035 12.718571 -4.518924 3 C I 13 "CYS " " SG " 16 0 E1E11E S5010 0 1 2 <> 1 7.31 1654 3 + 25 25 -1.556005 9.308893 -6.233867 4 P I 38 "PRO " " N " 7 0 2F2FFF N5011 0 1 2 <> 1 11.42 1655 4 + 26 3 -2.657262 8.481882 -5.748383 4 P I 2 "PRO " " CA " 6 0 A0A0A0 C5012 0 1 -9 006400 1 3 1656 4 + 27 2 -3.370877 9.069250 -4.516739 4 P I 2 "PRO " " C " 6 0 A0A0A0 C5013 0 1 2 <> 1 5.11 1657 4 + 28 15 -2.741452 9.740304 -3.697401 4 P I 75 "PRO " " O " 8 0 FF5757 O5014 0 1 2 <> 1 3 1658 4 + 29 3 -2.047903 7.164320 -5.407323 4 P I 2 "PRO " " CB " 6 0 A0A0A0 C5015 0 1 2 <> 1 3 1659 4 + 30 3 -0.544535 7.404641 -5.400342 4 P I 2 "PRO " " CG " 6 0 A0A0A0 C5016 0 1 2 <> 1 14.11 1660 4 + 31 3 -0.269141 8.562817 -6.317336 4 P I 2 "PRO " " CD " 6 0 A0A0A0 C5017 0 1 2 <> 1 3.6 1661 4 + 32 25 -4.670457 8.765201 -4.432167 5 R I 38 "ARG " " N " 7 0 2F2FFF N5018 0 1 2 <> 1 3 1662 5 + 33 3 -5.578190 9.375627 -3.503402 5 R I 2 "ARG " " CA " 6 0 A0A0A0 C5019 0 1 -9 006400 1 13.81 1663 5 + 34 2 -5.641462 8.642245 -2.201079 5 R I 2 "ARG " " C " 6 0 A0A0A0 C5020 0 1 2 <> 1 3 1664 5 + 35 15 -6.708649 8.601555 -1.602813 5 R I 75 "ARG " " O " 8 0 FF5757 O5021 0 1 2 <> 1 3 1665 5 + 36 3 -6.926035 9.838032 -4.110596 5 R I 2 "ARG " " CB " 6 0 A0A0A0 C5022 0 1 2 <> 1 3 1666 5 + 37 3 -6.623034 10.963665 -5.148350 5 R I 2 "ARG " " CG " 6 0 A0A0A0 C5023 0 1 2 <> 1 4.47 1667 5 + 38 3 -7.810057 11.433980 -5.988069 5 R I 2 "ARG " " CD " 6 0 A0A0A0 C5024 0 1 2 <> 1 3 1668 5 + 39 25 -7.337011 12.640605 -6.614072 5 R I 38 "ARG " " NE " 7 0 2F2FFF N5025 0 1 2 <> 1 3 1669 5 + 40 2 -8.128566 13.330951 -7.396128 5 R I 2 "ARG " " CZ " 6 0 A0A0A0 C5026 0 1 2 <> 1 6.07 1670 5 + 41 25 -9.333126 12.895115 -7.694484 5 R I 38 "ARG " " NH1" 7 0 2F2FFF N5027 0 1 2 <> 1 4.5 1671 5 + 42 31 -7.793412 14.501304 -7.861882 5 R I 38 "ARG " " NH2" 7 1 2F2FFF N5028 0 1 2 <> 1 5.62 1672 5 + 43 25 -4.536809 8.016162 -1.844460 6 I I 38 "ILE " " N " 7 0 2F2FFF N5029 0 1 2 <> 1 3.77 1673 6 + 44 3 -4.564404 7.287816 -0.487358 6 I I 2 "ILE " " CA " 6 0 A0A0A0 C5030 0 1 -9 006400 1 3 1674 6 + 45 2 -4.247546 8.297031 0.634666 6 I I 2 "ILE " " C " 6 0 A0A0A0 C5031 0 1 2 <> 1 9.34 1675 6 + 46 15 -3.463788 9.270458 0.448554 6 I I 75 "ILE " " O " 8 0 FF5757 O5032 0 1 2 <> 1 5.14 1676 6 + 47 3 -3.490723 6.114571 -0.463308 6 I I 2 "ILE " " CB " 6 0 A0A0A0 C5033 0 1 2 <> 1 7.04 1677 6 + 48 3 -3.399666 5.301340 0.844291 6 I I 2 "ILE " " CG1" 6 0 A0A0A0 C5034 0 1 2 <> 1 3 1678 6 + 49 3 -2.102026 6.615899 -0.995529 6 I I 2 "ILE " " CG2" 6 0 A0A0A0 C5035 0 1 2 <> 1 3.1 1679 6 + 50 3 -2.523588 4.065408 0.638849 6 I I 2 "ILE " " CD1" 6 0 A0A0A0 C5036 0 1 2 <> 1 4.89 1680 6 + 51 25 -4.842939 8.000023 1.814835 7 L I 38 "LEU " " N " 7 0 2F2FFF N5037 0 1 2 <> 1 11.09 1681 7 + 52 3 -4.508724 8.847783 2.988279 7 L I 2 "LEU " " CA " 6 0 A0A0A0 C5038 0 1 -9 006400 1 3 1682 7 + 53 2 -3.248577 8.256209 3.600826 7 L I 2 "LEU " " C " 6 0 A0A0A0 C5039 0 1 2 <> 1 12.66 1683 7 + 54 15 -3.256039 7.077016 3.961928 7 L I 75 "LEU " " O " 8 0 FF5757 O5040 0 1 2 <> 1 4.25 1684 7 + 55 3 -5.619028 8.775235 4.046422 7 L I 2 "LEU " " CB " 6 0 A0A0A0 C5041 0 1 2 <> 1 7.89 1685 7 + 56 3 -5.382164 9.671785 5.320881 7 L I 2 "LEU " " CG " 6 0 A0A0A0 C5042 0 1 2 <> 1 13.86 1686 7 + 57 3 -5.018002 11.087306 4.898092 7 L I 2 "LEU " " CD1" 6 0 A0A0A0 C5043 0 1 2 <> 1 13.88 1687 7 + 58 3 -6.678247 9.809641 6.153202 7 L I 2 "LEU " " CD2" 6 0 A0A0A0 C5044 0 1 2 <> 1 5.11 1688 7 + 59 25 -2.149378 9.036479 3.540554 8 M I 38 "MET " " N " 7 0 2F2FFF N5045 0 1 2 <> 1 8.64 1689 8 + 60 3 -0.873765 8.554832 4.018848 8 M I 2 "MET " " CA " 6 0 A0A0A0 C5046 0 1 -9 006400 1 3 1690 8 + 61 2 -0.152489 9.618347 4.864452 8 M I 2 "MET " " C " 6 0 A0A0A0 C5047 0 1 2 <> 1 11.88 1691 8 + 62 15 0.031395 10.763150 4.423718 8 M I 75 "MET " " O " 8 0 FF5757 O5048 0 1 2 <> 1 4.49 1692 8 + 63 3 -0.050889 8.096947 2.809418 8 M I 2 "MET " " CB " 6 0 A0A0A0 C5049 0 1 2 <> 1 5.23 1693 8 + 64 3 1.357874 7.561447 3.116747 8 M I 2 "MET " " CG " 6 0 A0A0A0 C5050 0 1 2 <> 1 12.17 1694 8 + 65 49 2.225434 6.691542 1.704219 8 M I 13 "MET " " SD " 16 0 E1E11E S5051 0 1 2 <> 1 24.21 1695 8 + 66 3 0.787508 5.823917 1.015973 8 M I 2 "MET " " CE " 6 0 A0A0A0 C5052 0 1 2 <> 1 21.4 1696 8 + 67 25 0.128010 9.246743 6.130565 9 E I 38 "GLU " " N " 7 0 2F2FFF N5053 0 1 2 <> 1 7.23 1697 9 + 68 3 0.891065 10.153975 7.041401 9 E I 2 "GLU " " CA " 6 0 A0A0A0 C5054 0 1 -9 006400 1 26.64 1698 9 + 69 2 2.302658 10.332072 6.481645 9 E I 2 "GLU " " C " 6 0 A0A0A0 C5055 0 1 2 <> 1 23.44 1699 9 + 70 15 2.879288 9.391588 5.930212 9 E I 75 "GLU " " O " 8 0 FF5757 O5056 0 1 2 <> 1 15.55 1700 9 + 71 3 0.991230 9.492016 8.440957 9 E I 2 "GLU " " CB " 6 0 A0A0A0 C5057 0 1 2 <> 1 10.59 1701 9 + 72 3 -0.221077 9.794034 9.339298 9 E I 2 "GLU " " CG " 6 0 A0A0A0 C5058 0 1 2 <> 1 28.46 1702 9 + 73 2 -0.327914 8.813874 10.515239 9 E I 2 "GLU " " CD " 6 0 A0A0A0 C5059 0 1 2 <> 1 17.54 1703 9 + 74 15 0.586118 8.660764 11.345656 9 E I 75 "GLU " " OE1" 8 0 FF5757 O5060 0 1 2 <> 1 29.4 1704 9 + 75 18 -1.341461 8.112837 10.688697 9 E I 75 "GLU " " OE2" 8 -1 FF5757 O5061 0 1 2 <> 1 26.45 1705 9 + 76 25 2.906096 11.494843 6.624635 10 C I 38 "CYS " " N " 7 0 2F2FFF N5062 0 1 2 <> 1 6.88 1706 10 + 77 3 4.330153 11.490020 6.236667 10 C I 2 "CYS " " CA " 6 0 A0A0A0 C5063 0 1 -9 006400 1 5.74 1707 10 + 78 2 5.130591 12.453247 7.137249 10 C I 2 "CYS " " C " 6 0 A0A0A0 C5064 0 1 2 <> 1 33.94 1708 10 + 79 15 4.551753 13.385017 7.700049 10 C I 75 "CYS " " O " 8 0 FF5757 O5065 0 1 2 <> 1 14.26 1709 10 + 80 3 4.373110 11.933778 4.780072 10 C I 2 "CYS " " CB " 6 0 A0A0A0 C5066 0 1 2 <> 1 3 1710 10 + 81 49 3.465456 13.474065 4.536768 10 C I 13 "CYS " " SG " 16 0 E1E11E S5067 0 1 2 <> 1 5.5 1711 10 + 82 25 6.445284 12.443447 7.028802 11 K I 38 "LYS " " N " 7 0 2F2FFF N5068 0 1 2 <> 1 23.7 1712 11 + 83 3 7.263938 13.544174 7.606976 11 K I 2 "LYS " " CA " 6 0 A0A0A0 C5069 0 1 -9 006400 1 11.76 1713 11 + 84 2 8.140598 14.223976 6.559349 11 K I 2 "LYS " " C " 6 0 A0A0A0 C5070 0 1 2 <> 1 12.95 1714 11 + 85 15 8.540002 15.388412 6.721343 11 K I 75 "LYS " " O " 8 0 FF5757 O5071 0 1 2 <> 1 12.13 1715 11 + 86 3 8.197942 12.996003 8.680271 11 K I 2 "LYS " " CB " 6 0 A0A0A0 C5072 0 1 2 <> 1 17.39 1716 11 + 87 3 7.470667 12.823151 10.018331 11 K I 2 "LYS " " CG " 6 0 A0A0A0 C5073 0 1 2 <> 1 30.12 1717 11 + 88 3 8.448700 12.517681 11.169047 11 K I 2 "LYS " " CD " 6 0 A0A0A0 C5074 0 1 2 <> 0 32.78 1718 11 + 89 3 7.972283 11.354414 12.062358 11 K I 2 "LYS " " CE " 6 0 A0A0A0 C5075 0 1 2 <> 1 39.14 1719 11 + 90 32 8.448078 10.089046 11.525921 11 K I 38 "LYS " " NZ " 7 1 2F2FFF N5076 0 1 2 <> 1 43.85 1720 11 + 91 25 8.472112 13.448161 5.527441 12 K I 38 "LYS " " N " 7 0 2F2FFF N5077 0 1 2 <> 1 13.8 1721 12 + 92 3 9.101618 14.090751 4.399935 12 K I 2 "LYS " " CA " 6 0 A0A0A0 C5078 0 1 -9 006400 1 13.15 1722 12 + 93 2 8.496289 13.671224 3.077445 12 K I 2 "LYS " " C " 6 0 A0A0A0 C5079 0 1 2 <> 1 22.23 1723 12 + 94 15 7.787434 12.668160 3.079872 12 K I 75 "LYS " " O " 8 0 FF5757 O5080 0 1 2 <> 1 8.06 1724 12 + 95 3 10.582550 13.815263 4.351306 12 K I 2 "LYS " " CB " 6 0 A0A0A0 C5081 0 1 2 <> 1 11.87 1725 12 + 96 3 10.835900 12.366271 4.594159 12 K I 2 "LYS " " CG " 6 0 A0A0A0 C5082 0 1 2 <> 1 11.39 1726 12 + 97 3 11.912376 12.320120 5.693142 12 K I 2 "LYS " " CD " 6 0 A0A0A0 C5083 0 1 2 <> 1 31.1 1727 12 + 98 3 13.031162 11.479024 5.162916 12 K I 2 "LYS " " CE " 6 0 A0A0A0 C5084 0 1 2 <> 1 42.73 1728 12 + 99 32 12.358721 10.295819 4.640180 12 K I 38 "LYS " " NZ " 7 1 2F2FFF N5085 0 1 2 <> 1 41.01 1729 12 + 100 25 8.804198 14.482827 2.038855 13 D I 38 "ASP " " N " 7 0 2F2FFF N5086 0 1 2 <> 1 11.51 1730 13 + 101 3 8.259692 14.187467 0.700022 13 D I 2 "ASP " " CA " 6 0 A0A0A0 C5087 0 1 -9 006400 1 8.27 1731 13 + 102 2 8.449073 12.715508 0.333774 13 D I 2 "ASP " " C " 6 0 A0A0A0 C5088 0 1 2 <> 1 18.87 1732 13 + 103 15 7.560651 12.099860 -0.244334 13 D I 75 "ASP " " O " 8 0 FF5757 O5089 0 1 2 <> 1 27.37 1733 13 + 104 3 8.880381 15.038154 -0.422926 13 D I 2 "ASP " " CB " 6 0 A0A0A0 C5090 0 1 2 <> 1 24.47 1734 13 + 105 2 8.356086 16.461405 -0.319456 13 D I 2 "ASP " " CG " 6 0 A0A0A0 C5091 0 1 2 <> 1 13.86 1735 13 + 106 15 7.345264 16.767759 0.353191 13 D I 75 "ASP " " OD1" 8 0 FF5757 O5092 0 1 2 <> 1 8.36 1736 13 + 107 18 8.947157 17.375652 -0.918106 13 D I 75 "ASP " " OD2" 8 -1 FF5757 O5093 0 1 2 <> 1 10.42 1737 13 + 108 25 9.630903 12.246244 0.643401 14 S I 38 "SER " " N " 7 0 2F2FFF N5094 0 1 2 <> 1 5.77 1738 14 + 109 3 10.159579 10.917700 0.230066 14 S I 2 "SER " " CA " 6 0 A0A0A0 C5095 0 1 -9 006400 1 8.51 1739 14 + 110 2 9.368536 9.807006 0.906111 14 S I 2 "SER " " C " 6 0 A0A0A0 C5096 0 1 2 <> 1 3.52 1740 14 + 111 15 9.251394 8.714621 0.374702 14 S I 75 "SER " " O " 8 0 FF5757 O5097 0 1 2 <> 1 13.85 1741 14 + 112 3 11.647918 10.796247 0.640994 14 S I 2 "SER " " CB " 6 0 A0A0A0 C5098 0 1 2 <> 1 20.5 1742 14 + 113 16 11.748790 10.445801 2.024799 14 S I 75 "SER " " OG " 8 0 FF5757 O5099 0 1 2 <> 1 24.94 1743 14 + 114 25 8.622238 10.183979 1.925072 15 D I 38 "ASP " " N " 7 0 2F2FFF N5100 0 1 2 <> 1 5.92 1744 15 + 115 3 7.690465 9.184941 2.488788 15 D I 2 "ASP " " CA " 6 0 A0A0A0 C5101 0 1 -9 006400 1 10.99 1745 15 + 116 2 6.531018 8.829324 1.542970 15 D I 2 "ASP " " C " 6 0 A0A0A0 C5102 0 1 2 <> 1 22.47 1746 15 + 117 15 5.775759 7.919367 1.867997 15 D I 75 "ASP " " O " 8 0 FF5757 O5103 0 1 2 <> 1 12.29 1747 15 + 118 3 7.082890 9.737813 3.788750 15 D I 2 "ASP " " CB " 6 0 A0A0A0 C5104 0 1 2 <> 1 9.99 1748 15 + 119 2 8.147609 9.849107 4.897055 15 D I 2 "ASP " " CG " 6 0 A0A0A0 C5105 0 1 2 <> 1 13.56 1749 15 + 120 15 9.247937 9.251730 4.828617 15 D I 75 "ASP " " OD1" 8 0 FF5757 O5106 0 1 2 <> 1 16.33 1750 15 + 121 18 7.931089 10.564002 5.904247 15 D I 75 "ASP " " OD2" 8 -1 FF5757 O5107 0 1 2 <> 1 14.39 1751 15 + 122 25 6.234317 9.685081 0.574746 16 C I 38 "CYS " " N " 7 0 2F2FFF N5108 0 1 2 <> 1 4.27 1752 16 + 123 3 4.943537 9.578983 -0.113980 16 C I 2 "CYS " " CA " 6 0 A0A0A0 C5109 0 1 -9 006400 1 3 1753 16 + 124 2 4.961104 8.632525 -1.320004 16 C I 2 "CYS " " C " 6 0 A0A0A0 C5110 0 1 2 <> 1 11.88 1754 16 + 125 15 6.021679 8.462767 -1.896043 16 C I 75 "CYS " " O " 8 0 FF5757 O5111 0 1 2 <> 1 15.03 1755 16 + 126 3 4.454221 10.963313 -0.524556 16 C I 2 "CYS " " CB " 6 0 A0A0A0 C5112 0 1 2 <> 1 3 1756 16 + 127 49 4.083781 11.918729 0.943548 16 C I 13 "CYS " " SG " 16 0 E1E11E S5113 0 1 2 <> 1 5.76 1757 16 + 128 25 3.767011 8.303807 -1.885064 17 L I 38 "LEU " " N " 7 0 2F2FFF N5114 0 1 2 <> 1 12.85 1758 17 + 129 3 3.782724 7.514171 -3.133722 17 L I 2 "LEU " " CA " 6 0 A0A0A0 C5115 0 1 -9 006400 1 10.24 1759 17 + 130 2 3.968750 8.411663 -4.351761 17 L I 2 "LEU " " C " 6 0 A0A0A0 C5116 0 1 2 <> 1 6.48 1760 17 + 131 15 3.298480 9.425171 -4.468644 17 L I 75 "LEU " " O " 8 0 FF5757 O5117 0 1 2 <> 1 11.35 1761 17 + 132 3 2.528393 6.670042 -3.374418 17 L I 2 "LEU " " CB " 6 0 A0A0A0 C5118 0 1 2 <> 1 9.83 1762 17 + 133 3 2.201692 5.543789 -2.410365 17 L I 2 "LEU " " CG " 6 0 A0A0A0 C5119 0 1 2 <> 1 14.51 1763 17 + 134 3 0.941164 4.777167 -2.887924 17 L I 2 "LEU " " CD1" 6 0 A0A0A0 C5120 0 1 2 <> 1 14.44 1764 17 + 135 3 3.395527 4.575184 -2.383637 17 L I 2 "LEU " " CD2" 6 0 A0A0A0 C5121 0 1 2 <> 1 22.84 1765 17 + 136 25 4.551886 7.830215 -5.395881 18 A I 38 "ALA " " N " 7 0 2F2FFF N5122 0 1 2 <> 1 10.63 1766 18 + 137 3 4.476751 8.417120 -6.762069 18 A I 2 "ALA " " CA " 6 0 A0A0A0 C5123 0 1 -9 006400 1 10.47 1767 18 + 138 2 4.984112 9.842057 -6.819380 18 A I 2 "ALA " " C " 6 0 A0A0A0 C5124 0 1 2 <> 1 12.73 1768 18 + 139 15 6.001936 10.146113 -6.226262 18 A I 75 "ALA " " O " 8 0 FF5757 O5125 0 1 2 <> 1 19.62 1769 18 + 140 3 3.107102 8.298336 -7.502937 18 A I 2 "ALA " " CB " 6 0 A0A0A0 C5126 0 1 2 <> 1 3 1770 18 + 141 25 4.200119 10.731138 -7.347498 19 E I 38 "GLU " " N " 7 0 2F2FFF N5127 0 1 2 <> 1 5.57 1771 19 + 142 3 4.583686 12.123998 -7.240364 19 E I 2 "GLU " " CA " 6 0 A0A0A0 C5128 0 1 -9 006400 1 3 1772 19 + 143 2 3.626226 12.887564 -6.353421 19 E I 2 "GLU " " C " 6 0 A0A0A0 C5129 0 1 2 <> 1 3 1773 19 + 144 15 3.601145 14.118882 -6.447569 19 E I 75 "GLU " " O " 8 0 FF5757 O5130 0 1 2 <> 1 8.05 1774 19 + 145 3 4.524169 12.830895 -8.582883 19 E I 2 "GLU " " CB " 6 0 A0A0A0 C5131 0 1 2 <> 1 10.47 1775 19 + 146 3 5.575086 12.263785 -9.583035 19 E I 2 "GLU " " CG " 6 0 A0A0A0 C5132 0 1 2 <> 1 18.79 1776 19 + 147 2 4.917595 11.821485 -10.877162 19 E I 2 "GLU " " CD " 6 0 A0A0A0 C5133 0 1 2 <> 1 62.93 1777 19 + 148 15 4.333878 12.677903 -11.611360 19 E I 75 "GLU " " OE1" 8 0 FF5757 O5134 0 1 2 <> 1 37.65 1778 19 + 149 18 4.948696 10.590135 -11.190261 19 E I 75 "GLU " " OE2" 8 -1 FF5757 O5135 0 1 2 <> 1 52.39 1779 19 + 150 25 3.240081 12.213385 -5.294709 20 C I 38 "CYS " " N " 7 0 2F2FFF N5136 0 1 2 <> 1 5.82 1780 20 + 151 3 2.684669 12.992998 -4.181090 20 C I 2 "CYS " " CA " 6 0 A0A0A0 C5137 0 1 -9 006400 1 18.76 1781 20 + 152 2 3.782903 13.727130 -3.404534 20 C I 2 "CYS " " C " 6 0 A0A0A0 C5138 0 1 2 <> 1 12.93 1782 20 + 153 15 4.844064 13.139715 -3.229773 20 C I 75 "CYS " " O " 8 0 FF5757 O5139 0 1 2 <> 1 14.38 1783 20 + 154 3 1.958618 12.081166 -3.200880 20 C I 2 "CYS " " CB " 6 0 A0A0A0 C5140 0 1 2 <> 1 4.6 1784 20 + 155 49 0.486427 11.243685 -3.844169 20 C I 13 "CYS " " SG " 16 0 E1E11E S5141 0 1 2 <> 1 6.41 1785 20 + 156 25 3.435704 14.775859 -2.683412 21 V I 38 "VAL " " N " 7 0 2F2FFF N5142 0 1 2 <> 1 3 1786 21 + 157 3 4.456281 15.347746 -1.762502 21 V I 2 "VAL " " CA " 6 0 A0A0A0 C5143 0 1 -9 006400 1 10.33 1787 21 + 158 2 3.917174 15.373666 -0.330088 21 V I 2 "VAL " " C " 6 0 A0A0A0 C5144 0 1 2 <> 1 19.31 1788 21 + 159 15 2.723108 15.144151 -0.145273 21 V I 75 "VAL " " O " 8 0 FF5757 O5145 0 1 2 <> 1 9.47 1789 21 + 160 3 4.789378 16.773421 -2.244070 21 V I 2 "VAL " " CB " 6 0 A0A0A0 C5146 0 1 2 <> 1 3.03 1790 21 + 161 3 5.391385 16.787066 -3.676691 21 V I 2 "VAL " " CG1" 6 0 A0A0A0 C5147 0 1 2 <> 1 3.69 1791 21 + 162 3 3.512643 17.666518 -2.179124 21 V I 2 "VAL " " CG2" 6 0 A0A0A0 C5148 0 1 2 <> 1 8.57 1792 21 + 163 25 4.770925 15.650293 0.664713 22 C I 38 "CYS " " N " 7 0 2F2FFF N5149 0 1 2 <> 1 7.02 1793 22 + 164 3 4.308918 15.629006 2.043274 22 C I 2 "CYS " " CA " 6 0 A0A0A0 C5150 0 1 -9 006400 1 3.33 1794 22 + 165 2 3.877428 17.011087 2.428990 22 C I 2 "CYS " " C " 6 0 A0A0A0 C5151 0 1 2 <> 1 14.48 1795 22 + 166 15 4.723697 17.886766 2.365806 22 C I 75 "CYS " " O " 8 0 FF5757 O5152 0 1 2 <> 1 9.02 1796 22 + 167 3 5.436472 15.294849 2.986465 22 C I 2 "CYS " " CB " 6 0 A0A0A0 C5153 0 1 2 <> 1 3 1797 22 + 168 49 4.862317 15.024683 4.686651 22 C I 13 "CYS " " SG " 16 0 E1E11E S5154 0 1 2 <> 1 6.58 1798 22 + 169 25 2.589379 17.197798 2.689495 23 L I 38 "LEU " " N " 7 0 2F2FFF N5155 0 1 2 <> 1 10.27 1799 23 + 170 3 2.219454 18.604638 2.897203 23 L I 2 "LEU " " CA " 6 0 A0A0A0 C5156 0 1 -9 006400 1 15.09 1800 23 + 171 2 2.252801 18.957690 4.387104 23 L I 2 "LEU " " C " 6 0 A0A0A0 C5157 0 1 2 <> 1 23.96 1801 23 + 172 15 2.514361 18.077612 5.207921 23 L I 75 "LEU " " O " 8 0 FF5757 O5158 0 1 2 <> 1 24.44 1802 23 + 173 3 0.811240 18.739646 2.343138 23 L I 2 "LEU " " CB " 6 0 A0A0A0 C5159 0 1 2 <> 1 4.86 1803 23 + 174 3 0.866665 18.523874 0.835925 23 L I 2 "LEU " " CG " 6 0 A0A0A0 C5160 0 1 2 <> 1 12.51 1804 23 + 175 3 -0.533524 18.230556 0.323600 23 L I 2 "LEU " " CD1" 6 0 A0A0A0 C5161 0 1 2 <> 1 28.01 1805 23 + 176 3 1.494090 19.771999 0.188056 23 L I 2 "LEU " " CD2" 6 0 A0A0A0 C5162 0 1 2 <> 1 16.05 1806 23 + 177 25 2.152895 20.260906 4.635742 24 E I 38 "GLU " " N " 7 0 2F2FFF N5163 0 1 2 <> 1 11.91 1807 24 + 178 3 2.106148 20.933962 5.938916 24 E I 2 "GLU " " CA " 6 0 A0A0A0 C5164 0 1 -9 006400 1 28.44 1808 24 + 179 2 1.462445 20.161898 7.120393 24 E I 2 "GLU " " C " 6 0 A0A0A0 C5165 0 1 2 <> 1 27.08 1809 24 + 180 15 2.096084 20.143819 8.175727 24 E I 75 "GLU " " O " 8 0 FF5757 O5166 0 1 2 <> 1 40.03 1810 24 + 181 3 1.451781 22.327160 5.745191 24 E I 2 "GLU " " CB " 6 0 A0A0A0 C5167 0 1 2 <> 1 42.99 1811 24 + 182 3 1.661268 23.295144 6.920325 24 E I 2 "GLU " " CG " 6 0 A0A0A0 C5168 0 1 2 <> 1 51.22 1812 24 + 183 2 0.840623 24.555960 6.664607 24 E I 2 "GLU " " CD " 6 0 A0A0A0 C5169 0 1 2 <> 0 34.2 1813 24 + 184 15 1.067619 25.265305 5.648391 24 E I 75 "GLU " " OE1" 8 0 FF5757 O5170 0 1 2 <> 0 <> 1814 24 + 185 18 -0.070838 24.893801 7.465943 24 E I 75 "GLU " " OE2" 8 -1 FF5757 O5171 0 1 2 <> 0 <> 1815 24 + 186 25 0.272374 19.560064 7.065431 25 H I 38 "HID " " N " 7 0 2F2FFF N5172 0 1 2 <> 1 12.4 1816 25 + 187 3 -0.212112 18.823735 8.327753 25 H I 2 "HID " " CA " 6 0 A0A0A0 C5173 0 1 -9 006400 1 8.41 1817 25 + 188 2 0.100100 17.321167 8.347505 25 H I 2 "HID " " C " 6 0 A0A0A0 C5174 0 1 2 <> 1 33.52 1818 25 + 189 15 -0.469675 16.582152 9.147177 25 H I 75 "HID " " O " 8 0 FF5757 O5175 0 1 2 <> 1 29.21 1819 25 + 190 3 -1.713647 18.951504 8.585710 25 H I 2 "HID " " CB " 6 0 A0A0A0 C5176 0 1 2 <> 1 17.26 1820 25 + 191 2 -2.072397 20.431031 8.349751 25 H I 2 "HID " " CG " 6 0 A0A0A0 C5177 0 1 2 <> 1 58.38 1821 25 + 192 25 -2.461241 20.896950 7.048325 25 H I 38 "HID " " ND1" 7 0 2F2FFF N5178 0 1 2 <> 1 46.25 1822 25 + 193 2 -2.033774 21.473032 9.211834 25 H I 2 "HID " " CD2" 6 0 A0A0A0 C5179 0 1 2 <> 1 40.2 1823 25 + 194 2 -2.747365 22.278304 7.153887 25 H I 2 "HID " " CE1" 6 0 A0A0A0 C5180 0 1 2 <> 1 43.88 1824 25 + 195 25 -2.470231 22.615686 8.515932 25 H I 38 "HID " " NE2" 7 0 2F2FFF N5181 0 1 2 <> 1 45.93 1825 25 + 196 25 1.165001 16.959049 7.690474 26 G I 38 "GLY " " N " 7 0 2F2FFF N5182 0 1 2 <> 1 9.4 1826 26 + 197 3 1.761288 15.662206 7.904113 26 G I 2 "GLY " " CA " 6 0 A0A0A0 C5183 0 1 -9 006400 1 3 1827 26 + 198 2 1.033416 14.587815 7.095606 26 G I 2 "GLY " " C " 6 0 A0A0A0 C5184 0 1 2 <> 1 6.2 1828 26 + 199 15 1.155055 13.390251 7.402335 26 G I 75 "GLY " " O " 8 0 FF5757 O5185 0 1 2 <> 1 9.81 1829 26 + 200 25 0.416555 15.009390 6.040356 27 Y I 38 "TYR " " N " 7 0 2F2FFF N5186 0 1 2 <> 1 3 1830 27 + 201 3 -0.206800 14.018914 5.137534 27 Y I 2 "TYR " " CA " 6 0 A0A0A0 C5187 0 1 -9 006400 1 3 1831 27 + 202 2 0.277743 14.216958 3.691666 27 Y I 2 "TYR " " C " 6 0 A0A0A0 C5188 0 1 2 <> 1 5.39 1832 27 + 203 15 0.430440 15.348790 3.251206 27 Y I 75 "TYR " " O " 8 0 FF5757 O5189 0 1 2 <> 1 6.99 1833 27 + 204 3 -1.728396 14.173934 5.146794 27 Y I 2 "TYR " " CB " 6 0 A0A0A0 C5190 0 1 2 <> 1 3 1834 27 + 205 2 -2.364577 13.688776 6.452460 27 Y I 2 "TYR " " CG " 6 0 A0A0A0 C5191 0 1 2 <> 1 11.13 1835 27 + 206 2 -2.419097 12.338930 6.736237 27 Y I 2 "TYR " " CD1" 6 0 A0A0A0 C5192 0 1 2 <> 1 9.16 1836 27 + 207 2 -2.861651 14.618825 7.342583 27 Y I 2 "TYR " " CD2" 6 0 A0A0A0 C5193 0 1 2 <> 1 4.25 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<> <> <> <> + 369 41 2.846066 7.246403 -7.618677 18 A I 21 "ALA " " HB2" 1 0 FFFFFF H369 -1 0 1 <> <> <> <> <> + 370 41 2.334412 8.802129 -6.922208 18 A I 21 "ALA " " HB3" 1 0 FFFFFF H370 -1 0 1 <> <> <> <> <> + 371 43 3.352502 10.443046 -7.815099 19 E I 21 "GLU " " H " 1 0 FFFFFF H371 -1 0 1 <> <> <> <> <> + 372 41 5.592887 12.194812 -6.834659 19 E I 21 "GLU " " HA " 1 0 FFFFFF H372 -1 0 1 <> <> <> <> <> + 373 41 4.698740 13.897201 -8.439303 19 E I 21 "GLU " " HB3" 1 0 FFFFFF H373 -1 0 1 <> <> <> <> <> + 374 41 3.525493 12.722323 -9.005918 19 E I 21 "GLU " " HB2" 1 0 FFFFFF H374 -1 0 1 <> <> <> <> <> + 375 41 6.088069 11.416218 -9.128525 19 E I 21 "GLU " " HG3" 1 0 FFFFFF H375 -1 0 1 <> <> <> <> <> + 376 41 6.321093 13.028855 -9.798075 19 E I 21 "GLU " " HG2" 1 0 FFFFFF H376 -1 0 1 <> <> <> <> <> + 377 43 3.332430 11.207809 -5.274979 20 C I 21 "CYS " " H " 1 0 FFFFFF H377 -1 0 1 <> <> <> <> <> + 378 41 1.979163 13.724051 -4.575960 20 C I 21 "CYS " " HA " 1 0 FFFFFF H378 -1 0 1 <> <> <> <> <> + 379 41 1.688691 12.651007 -2.311769 20 C I 21 "CYS " " HB3" 1 0 FFFFFF H379 -1 0 1 <> <> <> <> <> + 380 41 2.656683 11.337327 -2.816809 20 C I 21 "CYS " " HB2" 1 0 FFFFFF H380 -1 0 1 <> <> <> <> <> + 381 43 2.506069 15.161506 -2.767990 21 V I 21 "VAL " " H " 1 0 FFFFFF H381 -1 0 1 <> <> <> <> <> + 382 41 5.357344 14.735418 -1.797721 21 V I 21 "VAL " " HA " 1 0 FFFFFF H382 -1 0 1 <> <> <> <> <> + 383 41 5.529693 17.194294 -1.563703 21 V I 21 "VAL " " HB " 1 0 FFFFFF H383 -1 0 1 <> <> <> <> <> + 384 41 5.608932 17.814022 -3.970177 21 V I 21 "VAL " "HG11" 1 0 FFFFFF H384 -1 0 1 <> <> <> <> <> + 385 41 6.311694 16.203158 -3.690211 21 V I 21 "VAL " "HG12" 1 0 FFFFFF H385 -1 0 1 <> <> <> <> <> + 386 41 4.676378 16.353603 -4.375959 21 V I 21 "VAL " "HG13" 1 0 FFFFFF H386 -1 0 1 <> <> <> <> <> + 387 41 3.754799 18.672863 -2.520784 21 V I 21 "VAL " "HG21" 1 0 FFFFFF H387 -1 0 1 <> <> <> <> <> + 388 41 2.738986 17.242400 -2.819185 21 V I 21 "VAL " "HG22" 1 0 FFFFFF H388 -1 0 1 <> <> <> <> <> + 389 41 3.150486 17.709421 -1.151942 21 V I 21 "VAL " "HG23" 1 0 FFFFFF H389 -1 0 1 <> <> <> <> <> + 390 43 5.733778 15.873170 0.456535 22 C I 21 "CYS " " H " 1 0 FFFFFF H390 -1 0 1 <> <> <> <> <> + 391 41 3.487007 14.922976 2.161951 22 C I 21 "CYS " " HA " 1 0 FFFFFF H391 -1 0 1 <> <> <> <> <> + 392 41 6.169277 16.101679 2.975397 22 C I 21 "CYS " " HB3" 1 0 FFFFFF H392 -1 0 1 <> <> <> <> <> + 393 41 5.952754 14.402599 2.632286 22 C I 21 "CYS " " HB2" 1 0 FFFFFF H393 -1 0 1 <> <> <> <> <> + 394 43 1.962470 16.406932 2.729695 23 L I 21 "LEU " " H " 1 0 FFFFFF H394 -1 0 1 <> <> <> <> <> + 395 41 2.899936 19.253510 2.345832 23 L I 21 "LEU " " HA " 1 0 FFFFFF H395 -1 0 1 <> <> <> <> <> + 396 41 0.433038 19.740178 2.552900 23 L I 21 "LEU " " HB3" 1 0 FFFFFF H396 -1 0 1 <> <> <> <> <> + 397 41 0.169439 17.983175 2.794738 23 L I 21 "LEU " " HB2" 1 0 FFFFFF H397 -1 0 1 <> <> <> <> <> + 398 41 1.503163 17.663741 0.628220 23 L I 21 "LEU " " HG " 1 0 FFFFFF H398 -1 0 1 <> <> <> <> <> + 399 41 -0.501242 18.075035 -0.754765 23 L I 21 "LEU " "HD11" 1 0 FFFFFF H399 -1 0 1 <> <> <> <> <> + 400 41 -0.917709 17.333008 0.808274 23 L I 21 "LEU " "HD12" 1 0 FFFFFF H400 -1 0 1 <> <> <> <> <> + 401 41 -1.187427 19.072925 0.549270 23 L I 21 "LEU " "HD13" 1 0 FFFFFF H401 -1 0 1 <> <> <> <> <> + 402 41 1.542185 19.635912 -0.892345 23 L I 21 "LEU " "HD21" 1 0 FFFFFF H402 -1 0 1 <> <> <> <> <> + 403 41 0.884452 20.646122 0.416854 23 L I 21 "LEU " "HD22" 1 0 FFFFFF H403 -1 0 1 <> <> <> <> <> + 404 41 2.500387 19.918701 0.580414 23 L I 21 "LEU " "HD23" 1 0 FFFFFF H404 -1 0 1 <> <> <> <> <> + 405 43 2.098827 20.918258 3.870847 24 E I 21 "GLU " " H " 1 0 FFFFFF H405 -1 0 1 <> <> <> <> <> + 406 41 3.141687 21.119977 6.223796 24 E I 21 "GLU " " HA " 1 0 FFFFFF H406 -1 0 1 <> <> <> <> <> + 407 41 0.383868 22.202732 5.565809 24 E I 21 "GLU " " HB3" 1 0 FFFFFF H407 -1 0 1 <> <> <> <> <> + 408 41 1.833416 22.781360 4.830775 24 E I 21 "GLU " " HB2" 1 0 FFFFFF H408 -1 0 1 <> <> <> <> <> + 409 41 2.716926 23.557243 6.990977 24 E I 21 "GLU " " HG3" 1 0 FFFFFF H409 -1 0 1 <> <> <> <> <> + 410 41 1.324253 22.823681 7.843496 24 E I 21 "GLU " " HG2" 1 0 FFFFFF H410 -1 0 1 <> <> <> <> <> + 411 43 -0.274241 19.598454 6.216998 25 H I 21 "HID " " H " 1 0 FFFFFF H411 -1 0 1 <> <> <> <> <> + 412 41 0.300795 19.271117 9.179149 25 H I 21 "HID " " HA " 1 0 FFFFFF H412 -1 0 1 <> <> <> <> <> + 413 41 -1.927040 18.687709 9.621556 25 H I 21 "HID " " HB3" 1 0 FFFFFF H413 -1 0 1 <> <> <> <> <> + 414 41 -2.257572 18.329052 7.875217 25 H I 21 "HID " " HB2" 1 0 FFFFFF H414 -1 0 1 <> <> <> <> <> + 415 43 -2.487860 20.254817 6.269186 25 H I 21 "HID " " HD1" 1 0 FFFFFF H415 -1 0 1 <> <> <> <> <> + 416 41 -1.705693 21.320163 10.229377 25 H I 21 "HID " " HD2" 1 0 FFFFFF H416 -1 0 1 <> <> <> <> <> + 417 41 -3.095782 22.825142 6.290189 25 H I 21 "HID " " HE1" 1 0 FFFFFF H417 -1 0 1 <> <> <> <> <> + 418 43 1.584084 17.588926 7.021352 26 G I 21 "GLY " " H " 1 0 FFFFFF H418 -1 0 1 <> <> <> <> <> + 419 41 1.715699 15.411959 8.964018 26 G I 21 "GLY " " HA3" 1 0 FFFFFF H419 -1 0 1 <> <> <> <> <> + 420 41 2.809757 15.691543 7.607545 26 G I 21 "GLY " " HA2" 1 0 FFFFFF H420 -1 0 1 <> <> <> <> <> + 421 43 0.367359 15.999253 5.845800 27 Y I 21 "TYR " " H " 1 0 FFFFFF H421 -1 0 1 <> <> <> <> <> + 422 41 0.054538 13.014343 5.470159 27 Y I 21 "TYR " " HA " 1 0 FFFFFF H422 -1 0 1 <> <> <> <> <> + 423 41 -2.153902 13.621144 4.309257 27 Y I 21 "TYR " " HB3" 1 0 FFFFFF H423 -1 0 1 <> <> <> <> <> + 424 41 -1.986859 15.220398 4.984898 27 Y I 21 "TYR " " HB2" 1 0 FFFFFF H424 -1 0 1 <> <> <> <> <> + 425 41 -2.046384 11.621168 6.020484 27 Y I 21 "TYR " " HD1" 1 0 FFFFFF H425 -1 0 1 <> <> <> <> <> + 426 41 -2.828792 15.670538 7.099232 27 Y I 21 "TYR " " HD2" 1 0 FFFFFF H426 -1 0 1 <> <> <> <> <> + 427 41 -2.980453 10.823892 8.144322 27 Y I 21 "TYR " " HE1" 1 0 FFFFFF H427 -1 0 1 <> <> <> <> <> + 428 41 -3.798863 14.890572 9.258790 27 Y I 21 "TYR " " HE2" 1 0 FFFFFF H428 -1 0 1 <> <> <> <> <> + 429 42 -4.243174 13.171144 10.538566 27 Y I 21 "TYR " " HH " 1 0 FFFFFF H429 -1 0 1 <> <> <> <> <> + 430 43 0.270627 12.228548 3.328180 28 C I 21 "CYS " " H " 1 0 FFFFFF H430 -1 0 1 <> <> <> <> <> + 431 41 1.621007 13.844733 1.380473 28 C I 21 "CYS " " HA " 1 0 FFFFFF H431 -1 0 1 <> <> <> <> <> + 432 41 1.201022 11.854138 -0.104591 28 C I 21 "CYS " " HB3" 1 0 FFFFFF H432 -1 0 1 <> <> <> <> <> + 433 41 0.140554 11.194400 1.068711 28 C I 21 "CYS " " HB2" 1 0 FFFFFF H433 -1 0 1 <> <> <> <> <> + 434 43 0.962201 14.380274 -0.764807 29 G I 21 "GLY " " H " 1 0 FFFFFF H434 -1 0 1 <> <> <> <> <> + 435 41 -1.469843 15.896075 -0.616524 29 G I 21 "GLY " " HA3" 1 0 FFFFFF H435 -1 0 1 <> <> <> <> <> + 436 41 -1.768965 14.353186 -1.568756 29 G I 21 "GLY " " HA2" 1 0 FFFFFF H436 -1 0 1 <> <> <> <> <> + ::: + } + m_bond[441] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 223 1 + 3 1 224 1 + 4 1 225 1 + 5 2 3 1 + 6 2 5 1 + 7 2 226 1 + 8 3 4 2 + 9 3 12 1 + 10 5 6 1 + 11 5 227 1 + 12 5 228 1 + 13 6 7 1 + 14 6 229 1 + 15 6 230 1 + 16 7 8 1 + 17 7 231 1 + 18 7 232 1 + 19 8 9 1 + 20 8 233 1 + 21 9 10 1 + 22 9 11 2 + 23 10 234 1 + 24 10 235 1 + 25 11 236 1 + 26 11 237 1 + 27 12 13 1 + 28 12 238 1 + 29 13 14 1 + 30 13 16 1 + 31 13 239 1 + 32 14 15 2 + 33 14 19 1 + 34 16 17 1 + 35 16 18 1 + 36 16 240 1 + 37 17 241 1 + 38 17 242 1 + 39 17 243 1 + 40 18 244 1 + 41 18 245 1 + 42 18 246 1 + 43 19 20 1 + 44 19 247 1 + 45 20 21 1 + 46 20 23 1 + 47 20 248 1 + 48 21 22 2 + 49 21 25 1 + 50 23 24 1 + 51 23 249 1 + 52 23 250 1 + 53 24 155 1 + 54 25 26 1 + 55 25 31 1 + 56 26 27 1 + 57 26 29 1 + 58 26 251 1 + 59 27 28 2 + 60 27 32 1 + 61 29 30 1 + 62 29 252 1 + 63 29 253 1 + 64 30 31 1 + 65 30 254 1 + 66 30 255 1 + 67 31 256 1 + 68 31 257 1 + 69 32 33 1 + 70 32 258 1 + 71 33 34 1 + 72 33 36 1 + 73 33 259 1 + 74 34 35 2 + 75 34 43 1 + 76 36 37 1 + 77 36 260 1 + 78 36 261 1 + 79 37 38 1 + 80 37 262 1 + 81 37 263 1 + 82 38 39 1 + 83 38 264 1 + 84 38 265 1 + 85 39 40 1 + 86 39 266 1 + 87 40 41 1 + 88 40 42 2 + 89 41 267 1 + 90 41 268 1 + 91 42 269 1 + 92 42 270 1 + 93 43 44 1 + 94 43 271 1 + 95 44 45 1 + 96 44 47 1 + 97 44 272 1 + 98 45 46 2 + 99 45 51 1 + 100 47 48 1 + 101 47 49 1 + 102 47 273 1 + 103 48 50 1 + 104 48 274 1 + 105 48 275 1 + 106 49 276 1 + 107 49 277 1 + 108 49 278 1 + 109 50 279 1 + 110 50 280 1 + 111 50 281 1 + 112 51 52 1 + 113 51 282 1 + 114 52 53 1 + 115 52 55 1 + 116 52 283 1 + 117 53 54 2 + 118 53 59 1 + 119 55 56 1 + 120 55 284 1 + 121 55 285 1 + 122 56 57 1 + 123 56 58 1 + 124 56 286 1 + 125 57 287 1 + 126 57 288 1 + 127 57 289 1 + 128 58 290 1 + 129 58 291 1 + 130 58 292 1 + 131 59 60 1 + 132 59 293 1 + 133 60 61 1 + 134 60 63 1 + 135 60 294 1 + 136 61 62 2 + 137 61 67 1 + 138 63 64 1 + 139 63 295 1 + 140 63 296 1 + 141 64 65 1 + 142 64 297 1 + 143 64 298 1 + 144 65 66 1 + 145 66 299 1 + 146 66 300 1 + 147 66 301 1 + 148 67 68 1 + 149 67 302 1 + 150 68 69 1 + 151 68 71 1 + 152 68 303 1 + 153 69 70 2 + 154 69 76 1 + 155 71 72 1 + 156 71 304 1 + 157 71 305 1 + 158 72 73 1 + 159 72 306 1 + 160 72 307 1 + 161 73 74 2 + 162 73 75 1 + 163 76 77 1 + 164 76 308 1 + 165 77 78 1 + 166 77 80 1 + 167 77 309 1 + 168 78 79 2 + 169 78 82 1 + 170 80 81 1 + 171 80 310 1 + 172 80 311 1 + 173 81 168 1 + 174 82 83 1 + 175 82 312 1 + 176 83 84 1 + 177 83 86 1 + 178 83 313 1 + 179 84 85 2 + 180 84 91 1 + 181 86 87 1 + 182 86 314 1 + 183 86 315 1 + 184 87 88 1 + 185 87 316 1 + 186 87 317 1 + 187 88 89 1 + 188 88 318 1 + 189 88 319 1 + 190 89 90 1 + 191 89 320 1 + 192 89 321 1 + 193 90 322 1 + 194 90 323 1 + 195 90 324 1 + 196 91 92 1 + 197 91 325 1 + 198 92 93 1 + 199 92 95 1 + 200 92 326 1 + 201 93 94 2 + 202 93 100 1 + 203 95 96 1 + 204 95 327 1 + 205 95 328 1 + 206 96 97 1 + 207 96 329 1 + 208 96 330 1 + 209 97 98 1 + 210 97 331 1 + 211 97 332 1 + 212 98 99 1 + 213 98 333 1 + 214 98 334 1 + 215 99 335 1 + 216 99 336 1 + 217 99 337 1 + 218 100 101 1 + 219 100 338 1 + 220 101 102 1 + 221 101 104 1 + 222 101 339 1 + 223 102 103 2 + 224 102 108 1 + 225 104 105 1 + 226 104 340 1 + 227 104 341 1 + 228 105 106 2 + 229 105 107 1 + 230 108 109 1 + 231 108 342 1 + 232 109 110 1 + 233 109 112 1 + 234 109 343 1 + 235 110 111 2 + 236 110 114 1 + 237 112 113 1 + 238 112 344 1 + 239 112 345 1 + 240 113 346 1 + 241 114 115 1 + 242 114 347 1 + 243 115 116 1 + 244 115 118 1 + 245 115 348 1 + 246 116 117 2 + 247 116 122 1 + 248 118 119 1 + 249 118 349 1 + 250 118 350 1 + 251 119 120 2 + 252 119 121 1 + 253 122 123 1 + 254 122 351 1 + 255 123 124 1 + 256 123 126 1 + 257 123 352 1 + 258 124 125 2 + 259 124 128 1 + 260 126 127 1 + 261 126 353 1 + 262 126 354 1 + 263 127 217 1 + 264 128 129 1 + 265 128 355 1 + 266 129 130 1 + 267 129 132 1 + 268 129 356 1 + 269 130 131 2 + 270 130 136 1 + 271 132 133 1 + 272 132 357 1 + 273 132 358 1 + 274 133 134 1 + 275 133 135 1 + 276 133 359 1 + 277 134 360 1 + 278 134 361 1 + 279 134 362 1 + 280 135 363 1 + 281 135 364 1 + 282 135 365 1 + 283 136 137 1 + 284 136 366 1 + 285 137 138 1 + 286 137 140 1 + 287 137 367 1 + 288 138 139 2 + 289 138 141 1 + 290 140 368 1 + 291 140 369 1 + 292 140 370 1 + 293 141 142 1 + 294 141 371 1 + 295 142 143 1 + 296 142 145 1 + 297 142 372 1 + 298 143 144 2 + 299 143 150 1 + 300 145 146 1 + 301 145 373 1 + 302 145 374 1 + 303 146 147 1 + 304 146 375 1 + 305 146 376 1 + 306 147 148 2 + 307 147 149 1 + 308 150 151 1 + 309 150 377 1 + 310 151 152 1 + 311 151 154 1 + 312 151 378 1 + 313 152 153 2 + 314 152 156 1 + 315 154 155 1 + 316 154 379 1 + 317 154 380 1 + 318 156 157 1 + 319 156 381 1 + 320 157 158 1 + 321 157 160 1 + 322 157 382 1 + 323 158 159 2 + 324 158 163 1 + 325 160 161 1 + 326 160 162 1 + 327 160 383 1 + 328 161 384 1 + 329 161 385 1 + 330 161 386 1 + 331 162 387 1 + 332 162 388 1 + 333 162 389 1 + 334 163 164 1 + 335 163 390 1 + 336 164 165 1 + 337 164 167 1 + 338 164 391 1 + 339 165 166 2 + 340 165 169 1 + 341 167 168 1 + 342 167 392 1 + 343 167 393 1 + 344 169 170 1 + 345 169 394 1 + 346 170 171 1 + 347 170 173 1 + 348 170 395 1 + 349 171 172 2 + 350 171 177 1 + 351 173 174 1 + 352 173 396 1 + 353 173 397 1 + 354 174 175 1 + 355 174 176 1 + 356 174 398 1 + 357 175 399 1 + 358 175 400 1 + 359 175 401 1 + 360 176 402 1 + 361 176 403 1 + 362 176 404 1 + 363 177 178 1 + 364 177 405 1 + 365 178 179 1 + 366 178 181 1 + 367 178 406 1 + 368 179 180 2 + 369 179 186 1 + 370 181 182 1 + 371 181 407 1 + 372 181 408 1 + 373 182 183 1 + 374 182 409 1 + 375 182 410 1 + 376 183 184 2 + 377 183 185 1 + 378 186 187 1 + 379 186 411 1 + 380 187 188 1 + 381 187 190 1 + 382 187 412 1 + 383 188 189 2 + 384 188 196 1 + 385 190 191 1 + 386 190 413 1 + 387 190 414 1 + 388 191 192 1 + 389 191 193 2 + 390 192 194 1 + 391 192 415 1 + 392 193 195 1 + 393 193 416 1 + 394 194 195 2 + 395 194 417 1 + 396 196 197 1 + 397 196 418 1 + 398 197 198 1 + 399 197 419 1 + 400 197 420 1 + 401 198 199 2 + 402 198 200 1 + 403 200 201 1 + 404 200 421 1 + 405 201 202 1 + 406 201 204 1 + 407 201 422 1 + 408 202 203 2 + 409 202 212 1 + 410 204 205 1 + 411 204 423 1 + 412 204 424 1 + 413 205 206 2 + 414 205 207 1 + 415 206 208 1 + 416 206 425 1 + 417 207 209 2 + 418 207 426 1 + 419 208 210 2 + 420 208 427 1 + 421 209 210 1 + 422 209 428 1 + 423 210 211 1 + 424 211 429 1 + 425 212 213 1 + 426 212 430 1 + 427 213 214 1 + 428 213 216 1 + 429 213 431 1 + 430 214 215 2 + 431 214 218 1 + 432 216 217 1 + 433 216 432 1 + 434 216 433 1 + 435 218 219 1 + 436 218 434 1 + 437 219 220 1 + 438 219 435 1 + 439 219 436 1 + 440 220 221 2 + 441 220 222 1 + ::: + } + m_PDB_SEQRES[2] { + s_pdb_chain_id + s_pdb_SEQRES + ::: + 1 E "ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SER ASN " + 2 I "ARG VAL CYS PRO ARG ILE LEU MET GLU CYS LYS LYS ASP SER ASP CYS LEU ALA GLU CYS VAL CYS LEU GLU HIS GLY TYR CYS GLY " + ::: + } +} diff --git a/test/MAE/GLY_3.mae b/test/MAE/GLY_3.mae new file mode 100644 --- /dev/null +++ b/test/MAE/GLY_3.mae @@ -0,0 +1,310 @@ + +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + GLY3 + Structure + 0 + 336 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[24] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 G A 75 -0.50000 -0.50000 "GLY " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 G A 38 -0.30000 -0.30000 "GLY " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 G A 10 0.25000 0.25000 "GLY " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 G A 10 0.50000 0.50000 "GLY " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 G A 38 -0.50000 -0.50000 "GLY " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 G A 10 0.14000 0.14000 "GLY " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 G A 10 0.50000 0.50000 "GLY " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 G A 75 -0.50000 -0.50000 "GLY " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 G A 38 -0.50000 -0.50000 "GLY " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 G A 10 0.04000 0.04000 "GLY " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 G A 10 0.70000 0.70000 "GLY " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 G A 75 -0.80000 -0.80000 "GLY " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "GLY " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 G A 21 0.00000 0.00000 "GLY " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 G A 21 0.00000 0.00000 "GLY " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 G A 21 0.00000 0.00000 "GLY " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 G A 21 0.00000 0.00000 "GLY " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 G A 21 0.00000 0.00000 "GLY " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 41 9.478038 -4.932379 4.490817 704 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 41 12.566848 -6.615529 1.458730 703 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 41 17.021772 -5.364475 1.473666 702 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[23] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 24 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 23 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 22 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + ::: + } +} + diff --git a/test/MAE/docking_1.mae b/test/MAE/docking_1.mae new file mode 100644 --- /dev/null +++ b/test/MAE/docking_1.mae @@ -0,0 +1,13121 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_pdb_PDB_Model + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 1 + 3.0 + /Users/ramso/Yandex.Disk.localized/Work/biocad/protein-protein-docking-benchmark/dataset/rigid/1AHW_A/cap/1AHW_r_b.pdb + 1 + 2 + m_atom[6492] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + i_pdb_PDB_serial + r_m_pdb_tfactor + ::: + 1 3 -8.785000 6.922000 45.212000 0 " " X A 2 "ACE " " CH3" 6 0 0 1 1 <> + 2 2 -8.708000 7.238000 46.706000 0 " " X A 2 "ACE " " C " 6 0 0 1 2 <> + 3 15 -8.867000 6.339000 47.528000 0 " " X A 2 "ACE " " O " 8 0 0 1 3 <> + 4 41 -8.989000 5.837000 45.073000 0 " " X A 2 "ACE " "1H " 1 0 0 1 4 <> + 5 41 -9.600000 7.518000 44.746000 0 " " X A 2 "ACE " "2H " 1 0 0 1 5 <> + 6 41 -7.819000 7.185000 44.725000 0 " " X A 2 "ACE " "3H " 1 0 0 1 6 <> + 7 25 -8.462000 8.528000 47.131000 1 " " D A 2 "ASP " " N " 7 0 0 1 7 30.31 + 8 3 -8.388000 8.833000 48.602000 1 " " D A 2 "ASP " " CA " 6 0 0 1 8 30.31 + 9 2 -7.004000 8.319000 49.088000 1 " " D A 2 "ASP " " C " 6 0 0 1 9 30.31 + 10 15 -6.337000 9.034000 49.834000 1 " " D A 2 "ASP " " O " 8 0 0 1 10 81.66 + 11 3 -9.589000 8.274000 49.414000 1 " " D A 2 "ASP " " CB " 6 0 0 1 11 81.66 + 12 2 -9.666000 6.743000 49.521000 1 " " D A 2 "ASP " " CG " 6 0 0 1 12 81.66 + 13 15 -9.431000 6.239000 50.639000 1 " " D A 2 "ASP " " OD1" 8 0 0 1 13 81.66 + 14 18 -9.915000 6.116000 48.471000 1 " " D A 2 "ASP " " OD2" 8 -1 0 1 14 81.66 + 15 43 -8.331000 9.267000 46.455000 1 " " D A 2 "ASP " " H2 " 1 0 0 1 15 30.31 + 16 41 -8.402000 9.923000 48.627000 1 " " D A 2 "ASP " " HA " 1 0 0 1 16 30.31 + 17 41 -10.536000 8.640000 49.016000 1 " " D A 2 "ASP " " HB3" 1 0 0 1 17 81.66 + 18 41 -9.550000 8.675000 50.429000 1 " " D A 2 "ASP " " HB2" 1 0 0 1 18 81.66 + 19 25 -6.634000 7.082000 48.706000 2 " " I A 2 "ILE " " N " 7 0 0 1 19 17.24 + 20 3 -5.404000 6.383000 49.057000 2 " " I A 2 "ILE " " CA " 6 0 0 1 20 17.24 + 21 2 -4.271000 6.810000 48.106000 2 " " I A 2 "ILE " " C " 6 0 0 1 21 17.24 + 22 15 -4.192000 6.331000 46.975000 2 " " I A 2 "ILE " " O " 8 0 0 1 22 25.27 + 23 3 -5.623000 4.830000 49.077000 2 " " I A 2 "ILE " " CB " 6 0 0 1 23 25.27 + 24 3 -4.350000 3.942000 49.054000 2 " " I A 2 "ILE " " CG1" 6 0 0 1 24 25.27 + 25 3 -6.594000 4.327000 47.986000 2 " " I A 2 "ILE " " CG2" 6 0 0 1 25 25.27 + 26 3 -3.237000 4.330000 50.036000 2 " " I A 2 "ILE " " CD1" 6 0 0 1 26 25.27 + 27 43 -7.275000 6.532000 48.152000 2 " " I A 2 "ILE " " H " 1 0 0 1 27 17.24 + 28 41 -5.134000 6.683000 50.072000 2 " " I A 2 "ILE " " HA " 1 0 0 1 28 17.24 + 29 41 -6.107000 4.615000 50.031000 2 " " I A 2 "ILE " " HB " 1 0 0 1 29 25.27 + 30 41 -3.935000 3.916000 48.046000 2 " " I A 2 "ILE " "HG13" 1 0 0 1 30 25.27 + 31 41 -4.644000 2.913000 49.263000 2 " " I A 2 "ILE " "HG12" 1 0 0 1 31 25.27 + 32 41 -6.710000 3.244000 48.037000 2 " " I A 2 "ILE " "HG21" 1 0 0 1 32 25.27 + 33 41 -7.595000 4.742000 48.101000 2 " " I A 2 "ILE " "HG22" 1 0 0 1 33 25.27 + 34 41 -6.241000 4.577000 46.986000 2 " " I A 2 "ILE " "HG23" 1 0 0 1 34 25.27 + 35 41 -2.941000 3.477000 50.646000 2 " " I A 2 "ILE " "HD11" 1 0 0 1 35 25.27 + 36 41 -2.354000 4.673000 49.498000 2 " " I A 2 "ILE " "HD12" 1 0 0 1 36 25.27 + 37 41 -3.542000 5.125000 50.710000 2 " " I A 2 "ILE " "HD13" 1 0 0 1 37 25.27 + 38 25 -3.444000 7.750000 48.589000 3 " " K A 2 "LYS " " N " 7 0 0 1 38 34.64 + 39 3 -2.336000 8.349000 47.850000 3 " " K A 2 "LYS " " CA " 6 0 0 1 39 34.64 + 40 2 -1.127000 7.408000 47.751000 3 " " K A 2 "LYS " " C " 6 0 0 1 40 34.64 + 41 15 -0.731000 6.818000 48.755000 3 " " K A 2 "LYS " " O " 8 0 0 1 41 69.34 + 42 3 -1.974000 9.706000 48.503000 3 " " K A 2 "LYS " " CB " 6 0 0 1 42 69.34 + 43 3 -0.665000 10.349000 47.988000 3 " " K A 2 "LYS " " CG " 6 0 0 1 43 69.34 + 44 3 -0.475000 11.818000 48.390000 3 " " K A 2 "LYS " " CD " 6 0 0 1 44 69.34 + 45 3 -1.315000 12.784000 47.541000 3 " " K A 2 "LYS " " CE " 6 0 0 1 45 69.34 + 46 32 -1.050000 14.186000 47.903000 3 " " K A 2 "LYS " " NZ " 7 1 0 1 46 69.34 + 47 43 -3.565000 8.072000 49.540000 3 " " K A 2 "LYS " " H " 1 0 0 1 47 34.64 + 48 41 -2.692000 8.558000 46.839000 3 " " K A 2 "LYS " " HA " 1 0 0 1 48 34.64 + 49 41 -1.882000 9.581000 49.583000 3 " " K A 2 "LYS " " HB3" 1 0 0 1 49 69.34 + 50 41 -2.810000 10.388000 48.353000 3 " " K A 2 "LYS " " HB2" 1 0 0 1 50 69.34 + 51 41 -0.610000 10.265000 46.901000 3 " " K A 2 "LYS " " HG3" 1 0 0 1 51 69.34 + 52 41 0.184000 9.784000 48.375000 3 " " K A 2 "LYS " " HG2" 1 0 0 1 52 69.34 + 53 41 0.582000 12.073000 48.302000 3 " " K A 2 "LYS " " HD3" 1 0 0 1 53 69.34 + 54 41 -0.729000 11.939000 49.444000 3 " " K A 2 "LYS " " HD2" 1 0 0 1 54 69.34 + 55 41 -2.380000 12.585000 47.665000 3 " " K A 2 "LYS " " HE3" 1 0 0 1 55 69.34 + 56 41 -1.084000 12.653000 46.483000 3 " " K A 2 "LYS " " HE2" 1 0 0 1 56 69.34 + 57 44 -1.609000 14.795000 47.322000 3 " " K A 2 "LYS " " HZ1" 1 0 0 1 57 69.34 + 58 44 -1.289000 14.335000 48.873000 3 " " K A 2 "LYS " " HZ2" 1 0 0 1 58 69.34 + 59 44 -0.072000 14.393000 47.762000 3 " " K A 2 "LYS " " HZ3" 1 0 0 1 59 69.34 + 60 25 -0.529000 7.371000 46.551000 4 " " M A 2 "MET " " N " 7 0 2 1 60 18.96 + 61 3 0.792000 6.807000 46.296000 4 " " M A 2 "MET " " CA " 6 0 2 1 61 18.96 + 62 2 1.810000 7.948000 46.180000 4 " " M A 2 "MET " " C " 6 0 2 1 62 18.96 + 63 15 1.532000 8.944000 45.512000 4 " " M A 2 "MET " " O " 8 0 2 1 63 6 + 64 3 0.767000 5.986000 44.990000 4 " " M A 2 "MET " " CB " 6 0 2 1 64 6 + 65 3 -0.150000 4.752000 45.028000 4 " " M A 2 "MET " " CG " 6 0 2 1 65 6 + 66 49 0.054000 3.651000 46.456000 4 " " M A 2 "MET " " SD " 16 0 2 1 66 6 + 67 3 1.835000 3.337000 46.381000 4 " " M A 2 "MET " " CE " 6 0 2 1 67 6 + 68 43 -0.930000 7.895000 45.786000 4 " " M A 2 "MET " " H " 1 0 2 1 68 18.96 + 69 41 1.096000 6.168000 47.124000 4 " " M A 2 "MET " " HA " 1 0 2 1 69 18.96 + 70 41 1.777000 5.667000 44.730000 4 " " M A 2 "MET " " HB3" 1 0 2 1 70 6 + 71 41 0.445000 6.624000 44.166000 4 " " M A 2 "MET " " HB2" 1 0 2 1 71 6 + 72 41 0.003000 4.163000 44.124000 4 " " M A 2 "MET " " HG3" 1 0 2 1 72 6 + 73 41 -1.193000 5.065000 45.012000 4 " " M A 2 "MET " " HG2" 1 0 2 1 73 6 + 74 41 2.116000 2.573000 47.105000 4 " " M A 2 "MET " " HE1" 1 0 2 1 74 6 + 75 41 2.110000 2.995000 45.386000 4 " " M A 2 "MET " " HE2" 1 0 2 1 75 6 + 76 41 2.401000 4.240000 46.606000 4 " " M A 2 "MET " " HE3" 1 0 2 1 76 6 + 77 25 2.971000 7.767000 46.824000 5 " " T A 2 "THR " " N " 7 0 2 1 77 33.89 + 78 3 4.073000 8.724000 46.833000 5 " " T A 2 "THR " " CA " 6 0 2 1 78 33.89 + 79 2 5.327000 8.027000 46.291000 5 " " T A 2 "THR " " C " 6 0 2 1 79 33.89 + 80 15 6.002000 7.305000 47.028000 5 " " T A 2 "THR " " O " 8 0 2 1 80 62.48 + 81 3 4.356000 9.258000 48.261000 5 " " T A 2 "THR " " CB " 6 0 2 1 81 62.48 + 82 16 3.184000 9.864000 48.766000 5 " " T A 2 "THR " " OG1" 8 0 2 1 82 62.48 + 83 3 5.490000 10.298000 48.334000 5 " " T A 2 "THR " " CG2" 6 0 2 1 83 62.48 + 84 43 3.108000 6.931000 47.380000 5 " " T A 2 "THR " " H " 1 0 2 1 84 33.89 + 85 41 3.852000 9.579000 46.189000 5 " " T A 2 "THR " " HA " 1 0 2 1 85 33.89 + 86 41 4.593000 8.431000 48.931000 5 " " T A 2 "THR " " HB " 1 0 2 1 86 62.48 + 87 42 2.502000 9.191000 48.829000 5 " " T A 2 "THR " " HG1" 1 0 2 1 87 62.48 + 88 41 5.579000 10.708000 49.340000 5 " " T A 2 "THR " "HG21" 1 0 2 1 88 62.48 + 89 41 6.458000 9.865000 48.080000 5 " " T A 2 "THR " "HG22" 1 0 2 1 89 62.48 + 90 41 5.308000 11.130000 47.653000 5 " " T A 2 "THR " "HG23" 1 0 2 1 90 62.48 + 91 25 5.580000 8.241000 44.991000 6 " " Q A 2 "GLN " " N " 7 0 2 1 91 16.97 + 92 3 6.694000 7.652000 44.259000 6 " " Q A 2 "GLN " " CA " 6 0 2 1 92 16.97 + 93 2 7.919000 8.583000 44.281000 6 " " Q A 2 "GLN " " C " 6 0 2 1 93 16.97 + 94 15 7.757000 9.803000 44.248000 6 " " Q A 2 "GLN " " O " 8 0 2 1 94 8.02 + 95 3 6.218000 7.337000 42.830000 6 " " Q A 2 "GLN " " CB " 6 0 2 1 95 8.02 + 96 3 7.225000 6.496000 42.022000 6 " " Q A 2 "GLN " " CG " 6 0 2 1 96 8.02 + 97 2 6.608000 5.788000 40.816000 6 " " Q A 2 "GLN " " CD " 6 0 2 1 97 8.02 + 98 15 5.427000 5.931000 40.515000 6 " " Q A 2 "GLN " " OE1" 8 0 2 1 98 8.02 + 99 25 7.421000 5.006000 40.113000 6 " " Q A 2 "GLN " " NE2" 7 0 2 1 99 8.02 + 100 43 4.980000 8.855000 44.462000 6 " " Q A 2 "GLN " " H " 1 0 2 1 100 16.97 + 101 41 6.950000 6.712000 44.738000 6 " " Q A 2 "GLN " " HA " 1 0 2 1 101 16.97 + 102 41 5.992000 8.258000 42.290000 6 " " Q A 2 "GLN " " HB3" 1 0 2 1 102 8.02 + 103 41 5.272000 6.801000 42.910000 6 " " Q A 2 "GLN " " HB2" 1 0 2 1 103 8.02 + 104 41 7.669000 5.728000 42.654000 6 " " Q A 2 "GLN " " HG3" 1 0 2 1 104 8.02 + 105 41 8.041000 7.132000 41.687000 6 " " Q A 2 "GLN " " HG2" 1 0 2 1 105 8.02 + 106 43 7.091000 4.550000 39.275000 6 " " Q A 2 "GLN " "HE22" 1 0 2 1 106 8.02 + 107 43 8.387000 4.902000 40.385000 6 " " Q A 2 "GLN " "HE21" 1 0 2 1 107 8.02 + 108 25 9.118000 7.983000 44.330000 7 " " S A 2 "SER " " N " 7 0 2 1 108 24.72 + 109 3 10.402000 8.679000 44.434000 7 " " S A 2 "SER " " CA " 6 0 2 1 109 24.72 + 110 2 11.528000 7.807000 43.836000 7 " " S A 2 "SER " " C " 6 0 2 1 110 24.72 + 111 15 11.466000 6.586000 43.999000 7 " " S A 2 "SER " " O " 8 0 2 1 111 60.4 + 112 3 10.652000 9.022000 45.924000 7 " " S A 2 "SER " " CB " 6 0 2 1 112 60.4 + 113 16 10.800000 7.869000 46.739000 7 " " S A 2 "SER " " OG " 8 0 2 1 113 60.4 + 114 43 9.166000 6.972000 44.365000 7 " " S A 2 "SER " " H " 1 0 2 1 114 24.72 + 115 41 10.318000 9.605000 43.867000 7 " " S A 2 "SER " " HA " 1 0 2 1 115 24.72 + 116 41 9.837000 9.628000 46.322000 7 " " S A 2 "SER " " HB3" 1 0 2 1 116 60.4 + 117 41 11.557000 9.624000 46.018000 7 " " S A 2 "SER " " HB2" 1 0 2 1 117 60.4 + 118 42 11.569000 7.380000 46.433000 7 " " S A 2 "SER " " HG " 1 0 2 1 118 60.4 + 119 25 12.565000 8.419000 43.206000 8 " " P A 2 "PRO " " N " 7 0 0 1 119 13.11 + 120 3 12.721000 9.854000 42.849000 8 " " P A 2 "PRO " " CA " 6 0 0 1 120 13.11 + 121 2 11.923000 10.229000 41.582000 8 " " P A 2 "PRO " " C " 6 0 0 1 121 13.11 + 122 15 11.545000 9.331000 40.847000 8 " " P A 2 "PRO " " O " 8 0 0 1 122 6.31 + 123 3 14.240000 9.989000 42.577000 8 " " P A 2 "PRO " " CB " 6 0 0 1 123 6.31 + 124 3 14.875000 8.661000 42.962000 8 " " P A 2 "PRO " " CG " 6 0 0 1 124 6.31 + 125 3 13.743000 7.669000 42.778000 8 " " P A 2 "PRO " " CD " 6 0 0 1 125 6.31 + 126 41 12.435000 10.488000 43.689000 8 " " P A 2 "PRO " " HA " 1 0 0 1 126 13.11 + 127 41 14.687000 10.821000 43.121000 8 " " P A 2 "PRO " " HB3" 1 0 0 1 127 6.31 + 128 41 14.436000 10.166000 41.518000 8 " " P A 2 "PRO " " HB2" 1 0 0 1 128 6.31 + 129 41 15.161000 8.689000 44.014000 8 " " P A 2 "PRO " " HG3" 1 0 0 1 129 6.31 + 130 41 15.765000 8.416000 42.382000 8 " " P A 2 "PRO " " HG2" 1 0 0 1 130 6.31 + 131 41 13.629000 7.394000 41.728000 8 " " P A 2 "PRO " " HD2" 1 0 0 1 131 6.31 + 132 41 13.926000 6.756000 43.349000 8 " " P A 2 "PRO " " HD3" 1 0 0 1 132 6.31 + 133 25 11.707000 11.525000 41.296000 9 " " S A 2 "SER " " N " 7 0 0 1 133 2.48 + 134 3 11.011000 11.974000 40.071000 9 " " S A 2 "SER " " CA " 6 0 0 1 134 2.48 + 135 2 11.760000 11.665000 38.755000 9 " " S A 2 "SER " " C " 6 0 0 1 135 2.48 + 136 15 11.127000 11.387000 37.737000 9 " " S A 2 "SER " " O " 8 0 0 1 136 51.1 + 137 3 10.737000 13.485000 40.160000 9 " " S A 2 "SER " " CB " 6 0 0 1 137 51.1 + 138 16 9.724000 13.741000 41.108000 9 " " S A 2 "SER " " OG " 8 0 0 1 138 51.1 + 139 43 12.022000 12.249000 41.925000 9 " " S A 2 "SER " " H " 1 0 0 1 139 2.48 + 140 41 10.052000 11.453000 40.014000 9 " " S A 2 "SER " " HA " 1 0 0 1 140 2.48 + 141 41 10.393000 13.877000 39.201000 9 " " S A 2 "SER " " HB3" 1 0 0 1 141 51.1 + 142 41 11.640000 14.038000 40.425000 9 " " S A 2 "SER " " HB2" 1 0 0 1 142 51.1 + 143 42 9.532000 14.682000 41.106000 9 " " S A 2 "SER " " HG " 1 0 0 1 143 51.1 + 144 25 13.095000 11.713000 38.813000 10 " " S A 2 "SER " " N " 7 0 2 1 144 14.74 + 145 3 14.011000 11.370000 37.734000 10 " " S A 2 "SER " " CA " 6 0 2 1 145 14.74 + 146 2 15.313000 10.889000 38.375000 10 " " S A 2 "SER " " C " 6 0 2 1 146 14.74 + 147 15 15.658000 11.360000 39.463000 10 " " S A 2 "SER " " O " 8 0 2 1 147 22.13 + 148 3 14.220000 12.582000 36.796000 10 " " S A 2 "SER " " CB " 6 0 2 1 148 22.13 + 149 16 14.982000 13.619000 37.392000 10 " " S A 2 "SER " " OG " 8 0 2 1 149 22.13 + 150 43 13.544000 11.948000 39.687000 10 " " S A 2 "SER " " H " 1 0 2 1 150 14.74 + 151 41 13.581000 10.544000 37.166000 10 " " S A 2 "SER " " HA " 1 0 2 1 151 14.74 + 152 41 13.262000 12.988000 36.469000 10 " " S A 2 "SER " " HB3" 1 0 2 1 152 22.13 + 153 41 14.740000 12.259000 35.893000 10 " " S A 2 "SER " " HB2" 1 0 2 1 153 22.13 + 154 42 15.856000 13.280000 37.602000 10 " " S A 2 "SER " " HG " 1 0 2 1 154 22.13 + 155 25 16.031000 9.989000 37.691000 11 " " M A 2 "MET " " N " 7 0 2 1 155 28.05 + 156 3 17.312000 9.510000 38.190000 11 " " M A 2 "MET " " CA " 6 0 2 1 156 28.05 + 157 2 18.212000 9.022000 37.052000 11 " " M A 2 "MET " " C " 6 0 2 1 157 28.05 + 158 15 17.734000 8.470000 36.062000 11 " " M A 2 "MET " " O " 8 0 2 1 158 35.02 + 159 3 17.103000 8.484000 39.325000 11 " " M A 2 "MET " " CB " 6 0 2 1 159 35.02 + 160 3 16.580000 7.096000 38.912000 11 " " M A 2 "MET " " CG " 6 0 2 1 160 35.02 + 161 49 17.095000 5.773000 40.033000 11 " " M A 2 "MET " " SD " 16 0 2 1 161 35.02 + 162 3 18.891000 5.825000 39.775000 11 " " M A 2 "MET " " CE " 6 0 2 1 162 35.02 + 163 43 15.721000 9.634000 36.795000 11 " " M A 2 "MET " " H " 1 0 2 1 163 28.05 + 164 41 17.827000 10.369000 38.627000 11 " " M A 2 "MET " " HA " 1 0 2 1 164 28.05 + 165 41 16.414000 8.891000 40.065000 11 " " M A 2 "MET " " HB3" 1 0 2 1 165 35.02 + 166 41 18.040000 8.403000 39.869000 11 " " M A 2 "MET " " HB2" 1 0 2 1 166 35.02 + 167 41 16.909000 6.813000 37.915000 11 " " M A 2 "MET " " HG3" 1 0 2 1 167 35.02 + 168 41 15.490000 7.112000 38.874000 11 " " M A 2 "MET " " HG2" 1 0 2 1 168 35.02 + 169 41 19.360000 5.028000 40.347000 11 " " M A 2 "MET " " HE1" 1 0 2 1 169 35.02 + 170 41 19.121000 5.691000 38.718000 11 " " M A 2 "MET " " HE2" 1 0 2 1 170 35.02 + 171 41 19.340000 6.756000 40.112000 11 " " M A 2 "MET " " HE3" 1 0 2 1 171 35.02 + 172 25 19.514000 9.264000 37.245000 12 " " Y A 2 "TYR " " N " 7 0 2 1 172 33.95 + 173 3 20.575000 9.036000 36.276000 12 " " Y A 2 "TYR " " CA " 6 0 2 1 173 33.95 + 174 2 21.513000 7.996000 36.888000 12 " " Y A 2 "TYR " " C " 6 0 2 1 174 33.95 + 175 15 22.045000 8.233000 37.972000 12 " " Y A 2 "TYR " " O " 8 0 2 1 175 61.05 + 176 3 21.311000 10.365000 35.982000 12 " " Y A 2 "TYR " " CB " 6 0 2 1 176 61.05 + 177 2 20.414000 11.468000 35.438000 12 " " Y A 2 "TYR " " CG " 6 0 2 1 177 61.05 + 178 2 19.545000 12.168000 36.303000 12 " " Y A 2 "TYR " " CD1" 6 0 2 1 178 61.05 + 179 2 20.413000 11.773000 34.063000 12 " " Y A 2 "TYR " " CD2" 6 0 2 1 179 61.05 + 180 2 18.621000 13.094000 35.787000 12 " " Y A 2 "TYR " " CE1" 6 0 2 1 180 61.05 + 181 2 19.492000 12.705000 33.544000 12 " " Y A 2 "TYR " " CE2" 6 0 2 1 181 61.05 + 182 2 18.581000 13.349000 34.403000 12 " " Y A 2 "TYR " " CZ " 6 0 2 1 182 61.05 + 183 16 17.663000 14.223000 33.899000 12 " " Y A 2 "TYR " " OH " 8 0 2 1 183 61.05 + 184 43 19.812000 9.690000 38.110000 12 " " Y A 2 "TYR " " H " 1 0 2 1 184 33.95 + 185 41 20.162000 8.667000 35.342000 12 " " Y A 2 "TYR " " HA " 1 0 2 1 185 33.95 + 186 41 22.110000 10.183000 35.263000 12 " " Y A 2 "TYR " " HB3" 1 0 2 1 186 61.05 + 187 41 21.795000 10.742000 36.884000 12 " " Y A 2 "TYR " " HB2" 1 0 2 1 187 61.05 + 188 41 19.553000 11.967000 37.364000 12 " " Y A 2 "TYR " " HD1" 1 0 2 1 188 61.05 + 189 41 21.100000 11.268000 33.402000 12 " " Y A 2 "TYR " " HD2" 1 0 2 1 189 61.05 + 190 41 17.937000 13.595000 36.454000 12 " " Y A 2 "TYR " " HE1" 1 0 2 1 190 61.05 + 191 41 19.478000 12.910000 32.484000 12 " " Y A 2 "TYR " " HE2" 1 0 2 1 191 61.05 + 192 42 17.106000 14.616000 34.575000 12 " " Y A 2 "TYR " " HH " 1 0 2 1 192 61.05 + 193 25 21.684000 6.863000 36.199000 13 " " A A 2 "ALA " " N " 7 0 2 1 193 11.17 + 194 3 22.522000 5.759000 36.659000 13 " " A A 2 "ALA " " CA " 6 0 2 1 194 11.17 + 195 2 23.164000 5.077000 35.461000 13 " " A A 2 "ALA " " C " 6 0 2 1 195 11.17 + 196 15 22.545000 5.004000 34.403000 13 " " A A 2 "ALA " " O " 8 0 2 1 196 30.76 + 197 3 21.676000 4.767000 37.463000 13 " " A A 2 "ALA " " CB " 6 0 2 1 197 30.76 + 198 43 21.219000 6.730000 35.310000 13 " " A A 2 "ALA " " H " 1 0 2 1 198 11.17 + 199 41 23.327000 6.134000 37.296000 13 " " A A 2 "ALA " " HA " 1 0 2 1 199 11.17 + 200 41 22.225000 3.847000 37.672000 13 " " A A 2 "ALA " " HB1" 1 0 2 1 200 30.76 + 201 41 21.393000 5.195000 38.424000 13 " " A A 2 "ALA " " HB2" 1 0 2 1 201 30.76 + 202 41 20.767000 4.504000 36.924000 13 " " A A 2 "ALA " " HB3" 1 0 2 1 202 30.76 + 203 25 24.398000 4.594000 35.645000 14 " " S A 2 "SER " " N " 7 0 2 1 203 13.23 + 204 3 25.173000 3.966000 34.582000 14 " " S A 2 "SER " " CA " 6 0 2 1 204 13.23 + 205 2 24.782000 2.500000 34.336000 14 " " S A 2 "SER " " C " 6 0 2 1 205 13.23 + 206 15 24.062000 1.903000 35.134000 14 " " S A 2 "SER " " O " 8 0 2 1 206 62.74 + 207 3 26.673000 4.180000 34.864000 14 " " S A 2 "SER " " CB " 6 0 2 1 207 62.74 + 208 16 27.115000 3.468000 36.000000 14 " " S A 2 "SER " " OG " 8 0 2 1 208 62.74 + 209 43 24.833000 4.633000 36.559000 14 " " S A 2 "SER " " H " 1 0 2 1 209 13.23 + 210 41 24.936000 4.499000 33.668000 14 " " S A 2 "SER " " HA " 1 0 2 1 210 13.23 + 211 41 26.883000 5.240000 35.012000 14 " " S A 2 "SER " " HB3" 1 0 2 1 211 62.74 + 212 41 27.268000 3.865000 34.007000 14 " " S A 2 "SER " " HB2" 1 0 2 1 212 62.74 + 213 42 27.083000 2.526000 35.812000 14 " " S A 2 "SER " " HG " 1 0 2 1 213 62.74 + 214 25 25.277000 1.947000 33.219000 15 " " L A 2 "LEU " " N " 7 0 0 1 214 19.66 + 215 3 25.127000 0.539000 32.845000 15 " " L A 2 "LEU " " CA " 6 0 0 1 215 19.66 + 216 2 25.746000 -0.401000 33.897000 15 " " L A 2 "LEU " " C " 6 0 0 1 216 19.66 + 217 15 26.785000 -0.080000 34.474000 15 " " L A 2 "LEU " " O " 8 0 0 1 217 43.79 + 218 3 25.804000 0.309000 31.479000 15 " " L A 2 "LEU " " CB " 6 0 0 1 218 43.79 + 219 3 25.139000 1.041000 30.293000 15 " " L A 2 "LEU " " CG " 6 0 0 1 219 43.79 + 220 3 26.081000 1.065000 29.072000 15 " " L A 2 "LEU " " CD1" 6 0 0 1 220 43.79 + 221 3 23.774000 0.418000 29.941000 15 " " L A 2 "LEU " " CD2" 6 0 0 1 221 43.79 + 222 43 25.841000 2.510000 32.597000 15 " " L A 2 "LEU " " H " 1 0 0 1 222 19.66 + 223 41 24.059000 0.329000 32.769000 15 " " L A 2 "LEU " " HA " 1 0 0 1 223 19.66 + 224 41 25.843000 -0.759000 31.255000 15 " " L A 2 "LEU " " HB3" 1 0 0 1 224 43.79 + 225 41 26.844000 0.630000 31.559000 15 " " L A 2 "LEU " " HB2" 1 0 0 1 225 43.79 + 226 41 24.965000 2.081000 30.570000 15 " " L A 2 "LEU " " HG " 1 0 0 1 226 43.79 + 227 41 25.591000 0.716000 28.163000 15 " " L A 2 "LEU " "HD11" 1 0 0 1 227 43.79 + 228 41 26.440000 2.075000 28.878000 15 " " L A 2 "LEU " "HD12" 1 0 0 1 228 43.79 + 229 41 26.960000 0.436000 29.218000 15 " " L A 2 "LEU " "HD13" 1 0 0 1 229 43.79 + 230 41 23.440000 0.699000 28.941000 15 " " L A 2 "LEU " "HD21" 1 0 0 1 230 43.79 + 231 41 23.812000 -0.670000 29.980000 15 " " L A 2 "LEU " "HD22" 1 0 0 1 231 43.79 + 232 41 23.002000 0.738000 30.640000 15 " " L A 2 "LEU " "HD23" 1 0 0 1 232 43.79 + 233 25 25.082000 -1.544000 34.121000 16 " " G A 2 "GLY " " N " 7 0 0 1 233 20.38 + 234 3 25.473000 -2.593000 35.063000 16 " " G A 2 "GLY " " CA " 6 0 0 1 234 20.38 + 235 2 25.220000 -2.229000 36.538000 16 " " G A 2 "GLY " " C " 6 0 0 1 235 20.38 + 236 15 25.380000 -3.092000 37.400000 16 " " G A 2 "GLY " " O " 8 0 0 1 236 2.48 + 237 43 24.222000 -1.708000 33.609000 16 " " G A 2 "GLY " " H " 1 0 0 1 237 20.38 + 238 41 26.527000 -2.842000 34.928000 16 " " G A 2 "GLY " " HA3" 1 0 0 1 238 20.38 + 239 41 24.902000 -3.483000 34.812000 16 " " G A 2 "GLY " " HA2" 1 0 0 1 239 20.38 + 240 25 24.829000 -0.977000 36.827000 17 " " E A 2 "GLU " " N " 7 0 0 1 240 34.47 + 241 3 24.604000 -0.433000 38.163000 17 " " E A 2 "GLU " " CA " 6 0 0 1 241 34.47 + 242 2 23.219000 -0.844000 38.680000 17 " " E A 2 "GLU " " C " 6 0 0 1 242 34.47 + 243 15 22.331000 -1.131000 37.877000 17 " " E A 2 "GLU " " O " 8 0 0 1 243 45.55 + 244 3 24.778000 1.095000 38.049000 17 " " E A 2 "GLU " " CB " 6 0 0 1 244 45.55 + 245 3 24.962000 1.849000 39.373000 17 " " E A 2 "GLU " " CG " 6 0 0 1 245 45.55 + 246 2 25.608000 3.210000 39.113000 17 " " E A 2 "GLU " " CD " 6 0 0 1 246 45.55 + 247 15 26.846000 3.279000 39.275000 17 " " E A 2 "GLU " " OE1" 8 0 0 1 247 45.55 + 248 18 24.870000 4.142000 38.722000 17 " " E A 2 "GLU " " OE2" 8 -1 0 1 248 45.55 + 249 43 24.702000 -0.322000 36.068000 17 " " E A 2 "GLU " " H " 1 0 0 1 249 34.47 + 250 41 25.371000 -0.831000 38.830000 17 " " E A 2 "GLU " " HA " 1 0 0 1 250 34.47 + 251 41 23.898000 1.515000 37.563000 17 " " E A 2 "GLU " " HB3" 1 0 0 1 251 45.55 + 252 41 25.620000 1.306000 37.387000 17 " " E A 2 "GLU " " HB2" 1 0 0 1 252 45.55 + 253 41 25.608000 1.282000 40.045000 17 " " E A 2 "GLU " " HG3" 1 0 0 1 253 45.55 + 254 41 24.007000 1.979000 39.883000 17 " " E A 2 "GLU " " HG2" 1 0 0 1 254 45.55 + 255 25 23.057000 -0.875000 40.010000 18 " " R A 2 "ARG " " N " 7 0 0 1 255 39.88 + 256 3 21.780000 -1.203000 40.636000 18 " " R A 2 "ARG " " CA " 6 0 0 1 256 39.88 + 257 2 21.049000 0.081000 41.037000 18 " " R A 2 "ARG " " C " 6 0 0 1 257 39.88 + 258 15 21.664000 0.974000 41.620000 18 " " R A 2 "ARG " " O " 8 0 0 1 258 55.39 + 259 3 22.004000 -2.168000 41.812000 18 " " R A 2 "ARG " " CB " 6 0 0 1 259 55.39 + 260 3 20.691000 -2.695000 42.426000 18 " " R A 2 "ARG " " CG " 6 0 0 1 260 55.39 + 261 3 20.855000 -4.040000 43.145000 18 " " R A 2 "ARG " " CD " 6 0 0 1 261 55.39 + 262 25 21.687000 -3.914000 44.343000 18 " " R A 2 "ARG " " NE " 7 0 0 1 262 55.39 + 263 2 21.293000 -3.388000 45.513000 18 " " R A 2 "ARG " " CZ " 6 0 0 1 263 55.39 + 264 25 20.034000 -2.965000 45.700000 18 " " R A 2 "ARG " " NH1" 7 0 0 1 264 55.39 + 265 31 22.179000 -3.287000 46.510000 18 " " R A 2 "ARG " " NH2" 7 1 0 1 265 55.39 + 266 43 23.814000 -0.615000 40.624000 18 " " R A 2 "ARG " " H " 1 0 0 1 266 39.88 + 267 41 21.163000 -1.737000 39.918000 18 " " R A 2 "ARG " " HA " 1 0 0 1 267 39.88 + 268 41 22.624000 -1.712000 42.585000 18 " " R A 2 "ARG " " HB3" 1 0 0 1 268 55.39 + 269 41 22.581000 -3.011000 41.436000 18 " " R A 2 "ARG " " HB2" 1 0 0 1 269 55.39 + 270 41 19.908000 -2.817000 41.682000 18 " " R A 2 "ARG " " HG3" 1 0 0 1 270 55.39 + 271 41 20.319000 -1.935000 43.113000 18 " " R A 2 "ARG " " HG2" 1 0 0 1 271 55.39 + 272 41 21.415000 -4.710000 42.493000 18 " " R A 2 "ARG " " HD3" 1 0 0 1 272 55.39 + 273 41 19.901000 -4.535000 43.333000 18 " " R A 2 "ARG " " HD2" 1 0 0 1 273 55.39 + 274 43 22.654000 -4.189000 44.237000 18 " " R A 2 "ARG " " HE " 1 0 0 1 274 55.39 + 275 43 19.746000 -2.571000 46.584000 18 " " R A 2 "ARG " "HH12" 1 0 0 1 275 55.39 + 276 43 19.358000 -3.052000 44.954000 18 " " R A 2 "ARG " "HH11" 1 0 0 1 276 55.39 + 277 44 21.906000 -2.893000 47.399000 18 " " R A 2 "ARG " "HH22" 1 0 0 1 277 55.39 + 278 44 23.130000 -3.601000 46.382000 18 " " R A 2 "ARG " "HH21" 1 0 0 1 278 55.39 + 279 25 19.749000 0.133000 40.719000 19 " " V A 2 "VAL " " N " 7 0 2 1 279 35.63 + 280 3 18.879000 1.262000 41.030000 19 " " V A 2 "VAL " " CA " 6 0 2 1 280 35.63 + 281 2 17.624000 0.758000 41.751000 19 " " V A 2 "VAL " " C " 6 0 2 1 281 35.63 + 282 15 17.184000 -0.365000 41.499000 19 " " V A 2 "VAL " " O " 8 0 2 1 282 21.06 + 283 3 18.462000 2.036000 39.751000 19 " " V A 2 "VAL " " CB " 6 0 2 1 283 21.06 + 284 3 19.689000 2.606000 39.027000 19 " " V A 2 "VAL " " CG1" 6 0 2 1 284 21.06 + 285 3 17.610000 1.257000 38.739000 19 " " V A 2 "VAL " " CG2" 6 0 2 1 285 21.06 + 286 43 19.315000 -0.648000 40.245000 19 " " V A 2 "VAL " " H " 1 0 2 1 286 35.63 + 287 41 19.382000 1.959000 41.704000 19 " " V A 2 "VAL " " HA " 1 0 2 1 287 35.63 + 288 41 17.864000 2.886000 40.080000 19 " " V A 2 "VAL " " HB " 1 0 2 1 288 21.06 + 289 41 19.376000 3.298000 38.247000 19 " " V A 2 "VAL " "HG11" 1 0 2 1 289 21.06 + 290 41 20.355000 3.132000 39.709000 19 " " V A 2 "VAL " "HG12" 1 0 2 1 290 21.06 + 291 41 20.275000 1.821000 38.547000 19 " " V A 2 "VAL " "HG13" 1 0 2 1 291 21.06 + 292 41 17.287000 1.921000 37.940000 19 " " V A 2 "VAL " "HG21" 1 0 2 1 292 21.06 + 293 41 18.204000 0.466000 38.285000 19 " " V A 2 "VAL " "HG22" 1 0 2 1 293 21.06 + 294 41 16.709000 0.823000 39.171000 19 " " V A 2 "VAL " "HG23" 1 0 2 1 294 21.06 + 295 25 17.090000 1.606000 42.643000 20 " " T A 2 "THR " " N " 7 0 2 1 295 5.81 + 296 3 15.898000 1.321000 43.430000 20 " " T A 2 "THR " " CA " 6 0 2 1 296 5.81 + 297 2 14.944000 2.518000 43.340000 20 " " T A 2 "THR " " C " 6 0 2 1 297 5.81 + 298 15 15.273000 3.616000 43.788000 20 " " T A 2 "THR " " O " 8 0 2 1 298 20.95 + 299 3 16.233000 1.043000 44.919000 20 " " T A 2 "THR " " CB " 6 0 2 1 299 20.95 + 300 16 16.991000 -0.150000 44.992000 20 " " T A 2 "THR " " OG1" 8 0 2 1 300 20.95 + 301 3 15.011000 0.874000 45.841000 20 " " T A 2 "THR " " CG2" 6 0 2 1 301 20.95 + 302 43 17.502000 2.517000 42.782000 20 " " T A 2 "THR " " H " 1 0 2 1 302 5.81 + 303 41 15.394000 0.443000 43.029000 20 " " T A 2 "THR " " HA " 1 0 2 1 303 5.81 + 304 41 16.859000 1.845000 45.312000 20 " " T A 2 "THR " " HB " 1 0 2 1 304 20.95 + 305 42 17.795000 -0.025000 44.482000 20 " " T A 2 "THR " " HG1" 1 0 2 1 305 20.95 + 306 41 15.310000 0.544000 46.837000 20 " " T A 2 "THR " "HG21" 1 0 2 1 306 20.95 + 307 41 14.458000 1.805000 45.966000 20 " " T A 2 "THR " "HG22" 1 0 2 1 307 20.95 + 308 41 14.328000 0.131000 45.434000 20 " " T A 2 "THR " "HG23" 1 0 2 1 308 20.95 + 309 25 13.764000 2.241000 42.777000 21 " " I A 2 "ILE " " N " 7 0 2 1 309 2.48 + 310 3 12.606000 3.123000 42.737000 21 " " I A 2 "ILE " " CA " 6 0 2 1 310 2.48 + 311 2 11.664000 2.681000 43.871000 21 " " I A 2 "ILE " " C " 6 0 2 1 311 2.48 + 312 15 11.538000 1.482000 44.102000 21 " " I A 2 "ILE " " O " 8 0 2 1 312 10.41 + 313 3 11.876000 2.960000 41.375000 21 " " I A 2 "ILE " " CB " 6 0 2 1 313 10.41 + 314 3 12.768000 3.438000 40.205000 21 " " I A 2 "ILE " " CG1" 6 0 2 1 314 10.41 + 315 3 10.497000 3.643000 41.330000 21 " " I A 2 "ILE " " CG2" 6 0 2 1 315 10.41 + 316 3 12.443000 2.759000 38.865000 21 " " I A 2 "ILE " " CD1" 6 0 2 1 316 10.41 + 317 43 13.587000 1.293000 42.470000 21 " " I A 2 "ILE " " H " 1 0 2 1 317 2.48 + 318 41 12.900000 4.166000 42.879000 21 " " I A 2 "ILE " " HA " 1 0 2 1 318 2.48 + 319 41 11.701000 1.894000 41.224000 21 " " I A 2 "ILE " " HB " 1 0 2 1 319 10.41 + 320 41 13.818000 3.230000 40.412000 21 " " I A 2 "ILE " "HG13" 1 0 2 1 320 10.41 + 321 41 12.714000 4.522000 40.118000 21 " " I A 2 "ILE " "HG12" 1 0 2 1 321 10.41 + 322 41 10.072000 3.641000 40.328000 21 " " I A 2 "ILE " "HG21" 1 0 2 1 322 10.41 + 323 41 9.787000 3.143000 41.981000 21 " " I A 2 "ILE " "HG22" 1 0 2 1 323 10.41 + 324 41 10.564000 4.668000 41.685000 21 " " I A 2 "ILE " "HG23" 1 0 2 1 324 10.41 + 325 41 12.694000 3.407000 38.025000 21 " " I A 2 "ILE " "HD11" 1 0 2 1 325 10.41 + 326 41 13.015000 1.839000 38.749000 21 " " I A 2 "ILE " "HD12" 1 0 2 1 326 10.41 + 327 41 11.389000 2.498000 38.783000 21 " " I A 2 "ILE " "HD13" 1 0 2 1 327 10.41 + 328 25 11.032000 3.639000 44.561000 22 " " T A 2 "THR " " N " 7 0 2 1 328 17.91 + 329 3 10.220000 3.376000 45.752000 22 " " T A 2 "THR " " CA " 6 0 2 1 329 17.91 + 330 2 8.839000 4.028000 45.609000 22 " " T A 2 "THR " " C " 6 0 2 1 330 17.91 + 331 15 8.736000 5.103000 45.024000 22 " " T A 2 "THR " " O " 8 0 2 1 331 14.74 + 332 3 10.949000 3.945000 47.002000 22 " " T A 2 "THR " " CB " 6 0 2 1 332 14.74 + 333 16 11.908000 2.990000 47.409000 22 " " T A 2 "THR " " OG1" 8 0 2 1 333 14.74 + 334 3 10.103000 4.296000 48.239000 22 " " T A 2 "THR " " CG2" 6 0 2 1 334 14.74 + 335 43 11.151000 4.612000 44.308000 22 " " T A 2 "THR " " H " 1 0 2 1 335 17.91 + 336 41 10.060000 2.309000 45.887000 22 " " T A 2 "THR " " HA " 1 0 2 1 336 17.91 + 337 41 11.499000 4.844000 46.719000 22 " " T A 2 "THR " " HB " 1 0 2 1 337 14.74 + 338 42 12.534000 2.862000 46.691000 22 " " T A 2 "THR " " HG1" 1 0 2 1 338 14.74 + 339 41 10.745000 4.567000 49.077000 22 " " T A 2 "THR " "HG21" 1 0 2 1 339 14.74 + 340 41 9.452000 5.147000 48.046000 22 " " T A 2 "THR " "HG22" 1 0 2 1 340 14.74 + 341 41 9.486000 3.455000 48.557000 22 " " T A 2 "THR " "HG23" 1 0 2 1 341 14.74 + 342 25 7.825000 3.363000 46.187000 23 " " C A 2 "CYS " " N " 7 0 2 1 342 14.71 + 343 3 6.465000 3.864000 46.360000 23 " " C A 2 "CYS " " CA " 6 0 2 1 343 14.71 + 344 2 5.993000 3.602000 47.791000 23 " " C A 2 "CYS " " C " 6 0 2 1 344 14.71 + 345 15 6.023000 2.456000 48.237000 23 " " C A 2 "CYS " " O " 8 0 2 1 345 13.8 + 346 3 5.506000 3.207000 45.351000 23 " " C A 2 "CYS " " CB " 6 0 2 1 346 13.8 + 347 49 5.466000 4.059000 43.763000 23 " " C A 2 "CYS " " SG " 16 0 2 1 347 13.8 + 348 43 8.020000 2.486000 46.656000 23 " " C A 2 "CYS " " H " 1 0 2 1 348 14.71 + 349 41 6.455000 4.940000 46.197000 23 " " C A 2 "CYS " " HA " 1 0 2 1 349 14.71 + 350 41 4.489000 3.243000 45.736000 23 " " C A 2 "CYS " " HB3" 1 0 2 1 350 13.8 + 351 41 5.737000 2.151000 45.199000 23 " " C A 2 "CYS " " HB2" 1 0 2 1 351 13.8 + 352 25 5.520000 4.670000 48.453000 24 " " K A 2 "LYS " " N " 7 0 2 1 352 17.08 + 353 3 4.853000 4.599000 49.750000 24 " " K A 2 "LYS " " CA " 6 0 2 1 353 17.08 + 354 2 3.358000 4.860000 49.532000 24 " " K A 2 "LYS " " C " 6 0 2 1 354 17.08 + 355 15 3.002000 5.929000 49.035000 24 " " K A 2 "LYS " " O " 8 0 2 1 355 41.39 + 356 3 5.403000 5.651000 50.740000 24 " " K A 2 "LYS " " CB " 6 0 2 1 356 41.39 + 357 3 6.926000 5.660000 50.956000 24 " " K A 2 "LYS " " CG " 6 0 2 1 357 41.39 + 358 3 7.657000 6.642000 50.024000 24 " " K A 2 "LYS " " CD " 6 0 2 1 358 41.39 + 359 3 9.083000 6.952000 50.496000 24 " " K A 2 "LYS " " CE " 6 0 2 1 359 41.39 + 360 32 9.737000 7.931000 49.612000 24 " " K A 2 "LYS " " NZ " 7 1 2 1 360 41.39 + 361 43 5.538000 5.581000 48.014000 24 " " K A 2 "LYS " " H " 1 0 2 1 361 17.08 + 362 41 4.998000 3.620000 50.202000 24 " " K A 2 "LYS " " HA " 1 0 2 1 362 17.08 + 363 41 4.930000 5.458000 51.705000 24 " " K A 2 "LYS " " HB3" 1 0 2 1 363 41.39 + 364 41 5.079000 6.655000 50.466000 24 " " K A 2 "LYS " " HB2" 1 0 2 1 364 41.39 + 365 41 7.333000 4.654000 50.841000 24 " " K A 2 "LYS " " HG3" 1 0 2 1 365 41.39 + 366 41 7.121000 5.942000 51.991000 24 " " K A 2 "LYS " " HG2" 1 0 2 1 366 41.39 + 367 41 7.095000 7.574000 49.950000 24 " " K A 2 "LYS " " HD3" 1 0 2 1 367 41.39 + 368 41 7.688000 6.232000 49.016000 24 " " K A 2 "LYS " " HD2" 1 0 2 1 368 41.39 + 369 41 9.681000 6.043000 50.539000 24 " " K A 2 "LYS " " HE3" 1 0 2 1 369 41.39 + 370 41 9.062000 7.365000 51.505000 24 " " K A 2 "LYS " " HE2" 1 0 2 1 370 41.39 + 371 44 9.802000 7.564000 48.671000 24 " " K A 2 "LYS " " HZ1" 1 0 2 1 371 41.39 + 372 44 9.200000 8.786000 49.598000 24 " " K A 2 "LYS " " HZ2" 1 0 2 1 372 41.39 + 373 44 10.667000 8.127000 49.955000 24 " " K A 2 "LYS " " HZ3" 1 0 2 1 373 41.39 + 374 25 2.511000 3.908000 49.943000 25 " " A A 2 "ALA " " N " 7 0 2 1 374 22.91 + 375 3 1.065000 4.098000 50.042000 25 " " A A 2 "ALA " " CA " 6 0 2 1 375 22.91 + 376 2 0.716000 4.759000 51.385000 25 " " A A 2 "ALA " " C " 6 0 2 1 376 22.91 + 377 15 1.397000 4.503000 52.377000 25 " " A A 2 "ALA " " O " 8 0 2 1 377 33.68 + 378 3 0.381000 2.731000 49.918000 25 " " A A 2 "ALA " " CB " 6 0 2 1 378 33.68 + 379 43 2.879000 3.051000 50.338000 25 " " A A 2 "ALA " " H " 1 0 2 1 379 22.91 + 380 41 0.722000 4.729000 49.223000 25 " " A A 2 "ALA " " HA " 1 0 2 1 380 22.91 + 381 41 -0.698000 2.842000 49.839000 25 " " A A 2 "ALA " " HB1" 1 0 2 1 381 33.68 + 382 41 0.719000 2.195000 49.033000 25 " " A A 2 "ALA " " HB2" 1 0 2 1 382 33.68 + 383 41 0.588000 2.096000 50.778000 25 " " A A 2 "ALA " " HB3" 1 0 2 1 383 33.68 + 384 25 -0.353000 5.572000 51.410000 26 " " S A 2 "SER " " N " 7 0 0 1 384 31.78 + 385 3 -0.846000 6.269000 52.606000 26 " " S A 2 "SER " " CA " 6 0 0 1 385 31.78 + 386 2 -1.725000 5.402000 53.541000 26 " " S A 2 "SER " " C " 6 0 0 1 386 31.78 + 387 15 -2.378000 5.956000 54.423000 26 " " S A 2 "SER " " O " 8 0 0 1 387 20.39 + 388 3 -1.500000 7.604000 52.187000 26 " " S A 2 "SER " " CB " 6 0 0 1 388 20.39 + 389 16 -2.793000 7.443000 51.641000 26 " " S A 2 "SER " " OG " 8 0 0 1 389 20.39 + 390 43 -0.855000 5.761000 50.552000 26 " " S A 2 "SER " " H " 1 0 0 1 390 31.78 + 391 41 0.028000 6.542000 53.200000 26 " " S A 2 "SER " " HA " 1 0 0 1 391 31.78 + 392 41 -0.872000 8.129000 51.466000 26 " " S A 2 "SER " " HB3" 1 0 0 1 392 20.39 + 393 41 -1.586000 8.261000 53.053000 26 " " S A 2 "SER " " HB2" 1 0 0 1 393 20.39 + 394 42 -3.393000 7.207000 52.353000 26 " " S A 2 "SER " " HG " 1 0 0 1 394 20.39 + 395 25 -1.692000 4.073000 53.350000 27 " " Q A 2 "GLN " " N " 7 0 0 1 395 11.6 + 396 3 -2.271000 3.015000 54.185000 27 " " Q A 2 "GLN " " CA " 6 0 0 1 396 11.6 + 397 2 -1.970000 1.653000 53.544000 27 " " Q A 2 "GLN " " C " 6 0 0 1 397 11.6 + 398 15 -1.532000 1.603000 52.394000 27 " " Q A 2 "GLN " " O " 8 0 0 1 398 62.04 + 399 3 -3.778000 3.222000 54.483000 27 " " Q A 2 "GLN " " CB " 6 0 0 1 399 62.04 + 400 3 -4.673000 3.455000 53.251000 27 " " Q A 2 "GLN " " CG " 6 0 0 1 400 62.04 + 401 2 -6.068000 3.921000 53.656000 27 " " Q A 2 "GLN " " CD " 6 0 0 1 401 62.04 + 402 15 -7.012000 3.138000 53.668000 27 " " Q A 2 "GLN " " OE1" 8 0 0 1 402 62.04 + 403 25 -6.201000 5.205000 53.996000 27 " " Q A 2 "GLN " " NE2" 7 0 0 1 403 62.04 + 404 43 -1.151000 3.722000 52.572000 27 " " Q A 2 "GLN " " H " 1 0 0 1 404 11.6 + 405 41 -1.734000 3.037000 55.135000 27 " " Q A 2 "GLN " " HA " 1 0 0 1 405 11.6 + 406 41 -3.882000 4.056000 55.177000 27 " " Q A 2 "GLN " " HB3" 1 0 0 1 406 62.04 + 407 41 -4.163000 2.363000 55.034000 27 " " Q A 2 "GLN " " HB2" 1 0 0 1 407 62.04 + 408 41 -4.742000 2.553000 52.642000 27 " " Q A 2 "GLN " " HG3" 1 0 0 1 408 62.04 + 409 41 -4.252000 4.230000 52.616000 27 " " Q A 2 "GLN " " HG2" 1 0 0 1 409 62.04 + 410 43 -7.108000 5.562000 54.261000 27 " " Q A 2 "GLN " "HE22" 1 0 0 1 410 62.04 + 411 43 -5.403000 5.824000 53.990000 27 " " Q A 2 "GLN " "HE21" 1 0 0 1 411 62.04 + 412 25 -2.180000 0.577000 54.323000 28 " " D A 2 "ASP " " N " 7 0 0 1 412 21.87 + 413 3 -1.956000 -0.819000 53.941000 28 " " D A 2 "ASP " " CA " 6 0 0 1 413 21.87 + 414 2 -2.789000 -1.187000 52.696000 28 " " D A 2 "ASP " " C " 6 0 0 1 414 21.87 + 415 15 -3.999000 -1.383000 52.808000 28 " " D A 2 "ASP " " O " 8 0 0 1 415 36.53 + 416 3 -2.214000 -1.755000 55.153000 28 " " D A 2 "ASP " " CB " 6 0 0 1 416 36.53 + 417 2 -1.856000 -3.240000 54.975000 28 " " D A 2 "ASP " " CG " 6 0 0 1 417 36.53 + 418 15 -1.528000 -3.658000 53.843000 28 " " D A 2 "ASP " " OD1" 8 0 0 1 418 36.53 + 419 18 -1.919000 -3.950000 56.001000 28 " " D A 2 "ASP " " OD2" 8 -1 0 1 419 36.53 + 420 43 -2.539000 0.715000 55.257000 28 " " D A 2 "ASP " " H " 1 0 0 1 420 21.87 + 421 41 -0.900000 -0.900000 53.686000 28 " " D A 2 "ASP " " HA " 1 0 0 1 421 21.87 + 422 41 -3.266000 -1.696000 55.437000 28 " " D A 2 "ASP " " HB3" 1 0 0 1 422 36.53 + 423 41 -1.625000 -1.383000 55.992000 28 " " D A 2 "ASP " " HB2" 1 0 0 1 423 36.53 + 424 25 -2.108000 -1.263000 51.541000 29 " " I A 2 "ILE " " N " 7 0 0 1 424 2.48 + 425 3 -2.691000 -1.675000 50.261000 29 " " I A 2 "ILE " " CA " 6 0 0 1 425 2.48 + 426 2 -2.569000 -3.192000 50.007000 29 " " I A 2 "ILE " " C " 6 0 0 1 426 2.48 + 427 15 -3.034000 -3.649000 48.966000 29 " " I A 2 "ILE " " O " 8 0 0 1 427 2.48 + 428 3 -2.097000 -0.886000 49.059000 29 " " I A 2 "ILE " " CB " 6 0 0 1 428 2.48 + 429 3 -0.558000 -0.943000 48.975000 29 " " I A 2 "ILE " " CG1" 6 0 0 1 429 2.48 + 430 3 -2.621000 0.562000 49.049000 29 " " I A 2 "ILE " " CG2" 6 0 0 1 430 2.48 + 431 3 -0.012000 -0.463000 47.627000 29 " " I A 2 "ILE " " CD1" 6 0 0 1 431 2.48 + 432 43 -1.118000 -1.061000 51.536000 29 " " I A 2 "ILE " " H " 1 0 0 1 432 2.48 + 433 41 -3.763000 -1.470000 50.282000 29 " " I A 2 "ILE " " HA " 1 0 0 1 433 2.48 + 434 41 -2.478000 -1.333000 48.139000 29 " " I A 2 "ILE " " HB " 1 0 0 1 434 2.48 + 435 41 -0.213000 -1.964000 49.133000 29 " " I A 2 "ILE " "HG13" 1 0 0 1 435 2.48 + 436 41 -0.123000 -0.344000 49.776000 29 " " I A 2 "ILE " "HG12" 1 0 0 1 436 2.48 + 437 41 -2.300000 1.112000 48.165000 29 " " I A 2 "ILE " "HG21" 1 0 0 1 437 2.48 + 438 41 -3.711000 0.580000 49.053000 29 " " I A 2 "ILE " "HG22" 1 0 0 1 438 2.48 + 439 41 -2.283000 1.112000 49.924000 29 " " I A 2 "ILE " "HG23" 1 0 0 1 439 2.48 + 440 41 1.062000 -0.618000 47.557000 29 " " I A 2 "ILE " "HD11" 1 0 0 1 440 2.48 + 441 41 -0.475000 -1.007000 46.804000 29 " " I A 2 "ILE " "HD12" 1 0 0 1 441 2.48 + 442 41 -0.190000 0.600000 47.470000 29 " " I A 2 "ILE " "HD13" 1 0 0 1 442 2.48 + 443 25 -2.020000 -3.950000 50.979000 30 " " R A 2 "ARG " " N " 7 0 0 1 443 2.48 + 444 3 -2.071000 -5.415000 51.089000 30 " " R A 2 "ARG " " CA " 6 0 0 1 444 2.48 + 445 2 -1.412000 -6.141000 49.905000 30 " " R A 2 "ARG " " C " 6 0 0 1 445 2.48 + 446 15 -1.937000 -7.147000 49.428000 30 " " R A 2 "ARG " " O " 8 0 0 1 446 11.72 + 447 3 -3.527000 -5.881000 51.337000 30 " " R A 2 "ARG " " CB " 6 0 0 1 447 11.72 + 448 3 -4.164000 -5.293000 52.611000 30 " " R A 2 "ARG " " CG " 6 0 0 1 448 11.72 + 449 3 -5.697000 -5.338000 52.600000 30 " " R A 2 "ARG " " CD " 6 0 0 1 449 11.72 + 450 25 -6.254000 -4.331000 51.675000 30 " " R A 2 "ARG " " NE " 7 0 0 1 450 11.72 + 451 2 -6.845000 -4.538000 50.484000 30 " " R A 2 "ARG " " CZ " 6 0 0 1 451 11.72 + 452 25 -7.017000 -5.766000 49.978000 30 " " R A 2 "ARG " " NH1" 7 0 0 1 452 11.72 + 453 31 -7.287000 -3.487000 49.784000 30 " " R A 2 "ARG " " NH2" 7 1 0 1 453 11.72 + 454 43 -1.688000 -3.488000 51.818000 30 " " R A 2 "ARG " " H " 1 0 0 1 454 2.48 + 455 41 -1.482000 -5.678000 51.968000 30 " " R A 2 "ARG " " HA " 1 0 0 1 455 2.48 + 456 41 -3.576000 -6.968000 51.409000 30 " " R A 2 "ARG " " HB3" 1 0 0 1 456 11.72 + 457 41 -4.132000 -5.614000 50.472000 30 " " R A 2 "ARG " " HB2" 1 0 0 1 457 11.72 + 458 41 -3.917000 -4.233000 52.651000 30 " " R A 2 "ARG " " HG3" 1 0 0 1 458 11.72 + 459 41 -3.742000 -5.714000 53.524000 30 " " R A 2 "ARG " " HG2" 1 0 0 1 459 11.72 + 460 41 -6.096000 -5.230000 53.609000 30 " " R A 2 "ARG " " HD3" 1 0 0 1 460 11.72 + 461 41 -6.023000 -6.318000 52.257000 30 " " R A 2 "ARG " " HD2" 1 0 0 1 461 11.72 + 462 43 -6.144000 -3.371000 51.976000 30 " " R A 2 "ARG " " HE " 1 0 0 1 462 11.72 + 463 43 -7.467000 -5.893000 49.082000 30 " " R A 2 "ARG " "HH12" 1 0 0 1 463 11.72 + 464 43 -6.700000 -6.572000 50.495000 30 " " R A 2 "ARG " "HH11" 1 0 0 1 464 11.72 + 465 44 -7.741000 -3.616000 48.890000 30 " " R A 2 "ARG " "HH22" 1 0 0 1 465 11.72 + 466 44 -7.274000 -2.549000 50.182000 30 " " R A 2 "ARG " "HH21" 1 0 0 1 466 11.72 + 467 25 -0.274000 -5.594000 49.448000 31 " " K A 2 "LYS " " N " 7 0 0 1 467 11.24 + 468 3 0.541000 -6.086000 48.336000 31 " " K A 2 "LYS " " CA " 6 0 0 1 468 11.24 + 469 2 -0.151000 -6.004000 46.967000 31 " " K A 2 "LYS " " C " 6 0 0 1 469 11.24 + 470 15 0.363000 -6.586000 46.019000 31 " " K A 2 "LYS " " O " 8 0 0 1 470 30.64 + 471 3 1.106000 -7.492000 48.644000 31 " " K A 2 "LYS " " CB " 6 0 0 1 471 30.64 + 472 3 2.056000 -7.511000 49.857000 31 " " K A 2 "LYS " " CG " 6 0 0 1 472 30.64 + 473 3 2.035000 -8.843000 50.626000 31 " " K A 2 "LYS " " CD " 6 0 0 1 473 30.64 + 474 3 2.281000 -10.095000 49.767000 31 " " K A 2 "LYS " " CE " 6 0 0 1 474 30.64 + 475 32 3.578000 -10.037000 49.073000 31 " " K A 2 "LYS " " NZ " 7 1 0 1 475 30.64 + 476 43 0.080000 -4.761000 49.899000 31 " " K A 2 "LYS " " H " 1 0 0 1 476 11.24 + 477 41 1.382000 -5.400000 48.262000 31 " " K A 2 "LYS " " HA " 1 0 0 1 477 11.24 + 478 41 1.645000 -7.895000 47.785000 31 " " K A 2 "LYS " " HB3" 1 0 0 1 478 30.64 + 479 41 0.280000 -8.184000 48.806000 31 " " K A 2 "LYS " " HB2" 1 0 0 1 479 30.64 + 480 41 1.802000 -6.716000 50.558000 31 " " K A 2 "LYS " " HG3" 1 0 0 1 480 30.64 + 481 41 3.070000 -7.286000 49.524000 31 " " K A 2 "LYS " " HG2" 1 0 0 1 481 30.64 + 482 41 1.075000 -8.944000 51.133000 31 " " K A 2 "LYS " " HD3" 1 0 0 1 482 30.64 + 483 41 2.781000 -8.800000 51.420000 31 " " K A 2 "LYS " " HD2" 1 0 0 1 483 30.64 + 484 41 1.491000 -10.223000 49.027000 31 " " K A 2 "LYS " " HE3" 1 0 0 1 484 30.64 + 485 41 2.263000 -10.984000 50.398000 31 " " K A 2 "LYS " " HE2" 1 0 0 1 485 30.64 + 486 44 3.594000 -9.235000 48.460000 31 " " K A 2 "LYS " " HZ1" 1 0 0 1 486 30.64 + 487 44 4.324000 -9.955000 49.750000 31 " " K A 2 "LYS " " HZ2" 1 0 0 1 487 30.64 + 488 44 3.709000 -10.876000 48.527000 31 " " K A 2 "LYS " " HZ3" 1 0 0 1 488 30.64 + 489 25 -1.252000 -5.242000 46.849000 32 " " Y A 2 "TYR " " N " 7 0 0 1 489 2.48 + 490 3 -1.866000 -4.898000 45.568000 32 " " Y A 2 "TYR " " CA " 6 0 0 1 490 2.48 + 491 2 -1.179000 -3.656000 45.003000 32 " " Y A 2 "TYR " " C " 6 0 0 1 491 2.48 + 492 15 -1.799000 -2.600000 44.907000 32 " " Y A 2 "TYR " " O " 8 0 0 1 492 2.48 + 493 3 -3.387000 -4.732000 45.725000 32 " " Y A 2 "TYR " " CB " 6 0 0 1 493 2.48 + 494 2 -4.081000 -6.028000 46.086000 32 " " Y A 2 "TYR " " CG " 6 0 0 1 494 2.48 + 495 2 -4.243000 -7.026000 45.104000 32 " " Y A 2 "TYR " " CD1" 6 0 0 1 495 2.48 + 496 2 -4.522000 -6.262000 47.404000 32 " " Y A 2 "TYR " " CD2" 6 0 0 1 496 2.48 + 497 2 -4.823000 -8.262000 45.444000 32 " " Y A 2 "TYR " " CE1" 6 0 0 1 497 2.48 + 498 2 -5.089000 -7.502000 47.747000 32 " " Y A 2 "TYR " " CE2" 6 0 0 1 498 2.48 + 499 2 -5.239000 -8.503000 46.769000 32 " " Y A 2 "TYR " " CZ " 6 0 0 1 499 2.48 + 500 16 -5.782000 -9.706000 47.109000 32 " " Y A 2 "TYR " " OH " 8 0 0 1 500 2.48 + 501 43 -1.644000 -4.794000 47.667000 32 " " Y A 2 "TYR " " H " 1 0 0 1 501 2.48 + 502 41 -1.702000 -5.707000 44.853000 32 " " Y A 2 "TYR " " HA " 1 0 0 1 502 2.48 + 503 41 -3.817000 -4.391000 44.783000 32 " " Y A 2 "TYR " " HB3" 1 0 0 1 503 2.48 + 504 41 -3.619000 -3.963000 46.461000 32 " " Y A 2 "TYR " " HB2" 1 0 0 1 504 2.48 + 505 41 -3.908000 -6.854000 44.093000 32 " " Y A 2 "TYR " " HD1" 1 0 0 1 505 2.48 + 506 41 -4.411000 -5.506000 48.162000 32 " " Y A 2 "TYR " " HD2" 1 0 0 1 506 2.48 + 507 41 -4.934000 -9.027000 44.689000 32 " " Y A 2 "TYR " " HE1" 1 0 0 1 507 2.48 + 508 41 -5.401000 -7.690000 48.763000 32 " " Y A 2 "TYR " " HE2" 1 0 0 1 508 2.48 + 509 42 -5.840000 -10.317000 46.370000 32 " " Y A 2 "TYR " " HH " 1 0 0 1 509 2.48 + 510 25 0.101000 -3.838000 44.648000 33 " " L A 2 "LEU " " N " 7 0 2 1 510 27.4 + 511 3 0.919000 -2.879000 43.932000 33 " " L A 2 "LEU " " CA " 6 0 2 1 511 27.4 + 512 2 1.516000 -3.594000 42.718000 33 " " L A 2 "LEU " " C " 6 0 2 1 512 27.4 + 513 15 2.007000 -4.716000 42.844000 33 " " L A 2 "LEU " " O " 8 0 2 1 513 2.48 + 514 3 2.046000 -2.343000 44.835000 33 " " L A 2 "LEU " " CB " 6 0 2 1 514 2.48 + 515 3 2.645000 -1.028000 44.280000 33 " " L A 2 "LEU " " CG " 6 0 2 1 515 2.48 + 516 3 1.871000 0.193000 44.802000 33 " " L A 2 "LEU " " CD1" 6 0 2 1 516 2.48 + 517 3 4.162000 -0.911000 44.480000 33 " " L A 2 "LEU " " CD2" 6 0 2 1 517 2.48 + 518 43 0.521000 -4.747000 44.787000 33 " " L A 2 "LEU " " H " 1 0 2 1 518 27.4 + 519 41 0.298000 -2.048000 43.595000 33 " " L A 2 "LEU " " HA " 1 0 2 1 519 27.4 + 520 41 2.812000 -3.113000 44.937000 33 " " L A 2 "LEU " " HB3" 1 0 2 1 520 2.48 + 521 41 1.684000 -2.179000 45.850000 33 " " L A 2 "LEU " " HB2" 1 0 2 1 521 2.48 + 522 41 2.507000 -1.024000 43.199000 33 " " L A 2 "LEU " " HG " 1 0 2 1 522 2.48 + 523 41 1.800000 0.974000 44.046000 33 " " L A 2 "LEU " "HD11" 1 0 2 1 523 2.48 + 524 41 0.846000 -0.063000 45.064000 33 " " L A 2 "LEU " "HD12" 1 0 2 1 524 2.48 + 525 41 2.342000 0.617000 45.687000 33 " " L A 2 "LEU " "HD13" 1 0 2 1 525 2.48 + 526 41 4.431000 -0.051000 45.091000 33 " " L A 2 "LEU " "HD21" 1 0 2 1 526 2.48 + 527 41 4.587000 -1.803000 44.935000 33 " " L A 2 "LEU " "HD22" 1 0 2 1 527 2.48 + 528 41 4.656000 -0.781000 43.518000 33 " " L A 2 "LEU " "HD23" 1 0 2 1 528 2.48 + 529 25 1.482000 -2.901000 41.577000 34 " " N A 2 "ASN " " N " 7 0 2 1 529 8.3 + 530 3 2.049000 -3.349000 40.313000 34 " " N A 2 "ASN " " CA " 6 0 2 1 530 8.3 + 531 2 3.001000 -2.271000 39.802000 34 " " N A 2 "ASN " " C " 6 0 2 1 531 8.3 + 532 15 2.658000 -1.095000 39.858000 34 " " N A 2 "ASN " " O " 8 0 2 1 532 2.48 + 533 3 0.922000 -3.535000 39.279000 34 " " N A 2 "ASN " " CB " 6 0 2 1 533 2.48 + 534 2 -0.115000 -4.608000 39.601000 34 " " N A 2 "ASN " " CG " 6 0 2 1 534 2.48 + 535 15 0.076000 -5.464000 40.460000 34 " " N A 2 "ASN " " OD1" 8 0 2 1 535 2.48 + 536 25 -1.242000 -4.559000 38.896000 34 " " N A 2 "ASN " " ND2" 7 0 2 1 536 2.48 + 537 43 1.030000 -1.995000 41.559000 34 " " N A 2 "ASN " " H " 1 0 2 1 537 8.3 + 538 41 2.599000 -4.278000 40.451000 34 " " N A 2 "ASN " " HA " 1 0 2 1 538 8.3 + 539 41 1.349000 -3.778000 38.304000 34 " " N A 2 "ASN " " HB3" 1 0 2 1 539 2.48 + 540 41 0.390000 -2.590000 39.178000 34 " " N A 2 "ASN " " HB2" 1 0 2 1 540 2.48 + 541 43 -1.972000 -5.236000 39.076000 34 " " N A 2 "ASN " "HD22" 1 0 2 1 541 2.48 + 542 43 -1.383000 -3.847000 38.193000 34 " " N A 2 "ASN " "HD21" 1 0 2 1 542 2.48 + 543 25 4.145000 -2.696000 39.257000 35 " " W A 2 "TRP " " N " 7 0 2 1 543 2.48 + 544 3 5.107000 -1.837000 38.582000 35 " " W A 2 "TRP " " CA " 6 0 2 1 544 2.48 + 545 2 4.921000 -1.936000 37.064000 35 " " W A 2 "TRP " " C " 6 0 2 1 545 2.48 + 546 15 4.826000 -3.042000 36.536000 35 " " W A 2 "TRP " " O " 8 0 2 1 546 2.48 + 547 3 6.525000 -2.232000 39.012000 35 " " W A 2 "TRP " " CB " 6 0 2 1 547 2.48 + 548 2 6.814000 -1.972000 40.459000 35 " " W A 2 "TRP " " CG " 6 0 2 1 548 2.48 + 549 2 6.762000 -2.872000 41.468000 35 " " W A 2 "TRP " " CD1" 6 0 2 1 549 2.48 + 550 2 7.109000 -0.690000 41.084000 35 " " W A 2 "TRP " " CD2" 6 0 2 1 550 2.48 + 551 25 7.041000 -2.242000 42.664000 35 " " W A 2 "TRP " " NE1" 7 0 2 1 551 2.48 + 552 2 7.259000 -0.892000 42.489000 35 " " W A 2 "TRP " " CE2" 6 0 2 1 552 2.48 + 553 2 7.276000 0.626000 40.598000 35 " " W A 2 "TRP " " CE3" 6 0 2 1 553 2.48 + 554 2 7.563000 0.161000 43.371000 35 " " W A 2 "TRP " " CZ2" 6 0 2 1 554 2.48 + 555 2 7.596000 1.682000 41.471000 35 " " W A 2 "TRP " " CZ3" 6 0 2 1 555 2.48 + 556 2 7.745000 1.453000 42.852000 35 " " W A 2 "TRP " " CH2" 6 0 2 1 556 2.48 + 557 43 4.318000 -3.692000 39.194000 35 " " W A 2 "TRP " " H " 1 0 2 1 557 2.48 + 558 41 4.956000 -0.802000 38.885000 35 " " W A 2 "TRP " " HA " 1 0 2 1 558 2.48 + 559 41 7.240000 -1.649000 38.432000 35 " " W A 2 "TRP " " HB3" 1 0 2 1 559 2.48 + 560 41 6.725000 -3.278000 38.779000 35 " " W A 2 "TRP " " HB2" 1 0 2 1 560 2.48 + 561 41 6.533000 -3.919000 41.347000 35 " " W A 2 "TRP " " HD1" 1 0 2 1 561 2.48 + 562 43 7.066000 -2.736000 43.546000 35 " " W A 2 "TRP " " HE1" 1 0 2 1 562 2.48 + 563 41 7.166000 0.822000 39.542000 35 " " W A 2 "TRP " " HE3" 1 0 2 1 563 2.48 + 564 41 7.662000 -0.022000 44.430000 35 " " W A 2 "TRP " " HZ2" 1 0 2 1 564 2.48 + 565 41 7.719000 2.676000 41.077000 35 " " W A 2 "TRP " " HZ3" 1 0 2 1 565 2.48 + 566 41 7.987000 2.272000 43.511000 35 " " W A 2 "TRP " " HH2" 1 0 2 1 566 2.48 + 567 25 4.877000 -0.768000 36.406000 36 " " Y A 2 "TYR " " N " 7 0 2 1 567 2.48 + 568 3 4.678000 -0.600000 34.970000 36 " " Y A 2 "TYR " " CA " 6 0 2 1 568 2.48 + 569 2 5.830000 0.203000 34.378000 36 " " Y A 2 "TYR " " C " 6 0 2 1 569 2.48 + 570 15 6.052000 1.323000 34.821000 36 " " Y A 2 "TYR " " O " 8 0 2 1 570 7.1 + 571 3 3.358000 0.154000 34.709000 36 " " Y A 2 "TYR " " CB " 6 0 2 1 571 7.1 + 572 2 2.140000 -0.718000 34.885000 36 " " Y A 2 "TYR " " CG " 6 0 2 1 572 7.1 + 573 2 1.509000 -0.810000 36.142000 36 " " Y A 2 "TYR " " CD1" 6 0 2 1 573 7.1 + 574 2 1.673000 -1.486000 33.800000 36 " " Y A 2 "TYR " " CD2" 6 0 2 1 574 7.1 + 575 2 0.448000 -1.714000 36.320000 36 " " Y A 2 "TYR " " CE1" 6 0 2 1 575 7.1 + 576 2 0.624000 -2.401000 33.989000 36 " " Y A 2 "TYR " " CE2" 6 0 2 1 576 7.1 + 577 2 0.037000 -2.539000 35.260000 36 " " Y A 2 "TYR " " CZ " 6 0 2 1 577 7.1 + 578 16 -0.916000 -3.486000 35.474000 36 " " Y A 2 "TYR " " OH " 8 0 2 1 578 7.1 + 579 43 4.952000 0.092000 36.935000 36 " " Y A 2 "TYR " " H " 1 0 2 1 579 2.48 + 580 41 4.631000 -1.577000 34.491000 36 " " Y A 2 "TYR " " HA " 1 0 2 1 580 2.48 + 581 41 3.337000 0.522000 33.682000 36 " " Y A 2 "TYR " " HB3" 1 0 2 1 581 7.1 + 582 41 3.279000 1.038000 35.344000 36 " " Y A 2 "TYR " " HB2" 1 0 2 1 582 7.1 + 583 41 1.855000 -0.214000 36.975000 36 " " Y A 2 "TYR " " HD1" 1 0 2 1 583 7.1 + 584 41 2.145000 -1.407000 32.831000 36 " " Y A 2 "TYR " " HD2" 1 0 2 1 584 7.1 + 585 41 -0.044000 -1.793000 37.273000 36 " " Y A 2 "TYR " " HE1" 1 0 2 1 585 7.1 + 586 41 0.290000 -3.010000 33.163000 36 " " Y A 2 "TYR " " HE2" 1 0 2 1 586 7.1 + 587 42 -1.048000 -4.037000 34.698000 36 " " Y A 2 "TYR " " HH " 1 0 2 1 587 7.1 + 588 25 6.479000 -0.350000 33.346000 37 " " Q A 2 "GLN " " N " 7 0 2 1 588 8.91 + 589 3 7.432000 0.346000 32.490000 37 " " Q A 2 "GLN " " CA " 6 0 2 1 589 8.91 + 590 2 6.674000 0.921000 31.288000 37 " " Q A 2 "GLN " " C " 6 0 2 1 590 8.91 + 591 15 5.959000 0.177000 30.622000 37 " " Q A 2 "GLN " " O " 8 0 2 1 591 2.48 + 592 3 8.490000 -0.666000 32.002000 37 " " Q A 2 "GLN " " CB " 6 0 2 1 592 2.48 + 593 3 9.637000 -0.036000 31.193000 37 " " Q A 2 "GLN " " CG " 6 0 2 1 593 2.48 + 594 2 10.512000 -1.096000 30.530000 37 " " Q A 2 "GLN " " CD " 6 0 2 1 594 2.48 + 595 15 10.067000 -1.776000 29.608000 37 " " Q A 2 "GLN " " OE1" 8 0 2 1 595 2.48 + 596 25 11.763000 -1.229000 30.977000 37 " " Q A 2 "GLN " " NE2" 7 0 2 1 596 2.48 + 597 43 6.188000 -1.264000 33.020000 37 " " Q A 2 "GLN " " H " 1 0 2 1 597 8.91 + 598 41 7.931000 1.145000 33.043000 37 " " Q A 2 "GLN " " HA " 1 0 2 1 598 8.91 + 599 41 8.002000 -1.448000 31.416000 37 " " Q A 2 "GLN " " HB3" 1 0 2 1 599 2.48 + 600 41 8.927000 -1.172000 32.857000 37 " " Q A 2 "GLN " " HB2" 1 0 2 1 600 2.48 + 601 41 10.235000 0.608000 31.839000 37 " " Q A 2 "GLN " " HG3" 1 0 2 1 601 2.48 + 602 41 9.251000 0.594000 30.392000 37 " " Q A 2 "GLN " " HG2" 1 0 2 1 602 2.48 + 603 43 12.383000 -1.905000 30.554000 37 " " Q A 2 "GLN " "HE22" 1 0 2 1 603 2.48 + 604 43 12.105000 -0.661000 31.741000 37 " " Q A 2 "GLN " "HE21" 1 0 2 1 604 2.48 + 605 25 6.894000 2.204000 30.990000 38 " " Q A 2 "GLN " " N " 7 0 2 1 605 8.21 + 606 3 6.397000 2.849000 29.787000 38 " " Q A 2 "GLN " " CA " 6 0 2 1 606 8.21 + 607 2 7.602000 3.428000 29.046000 38 " " Q A 2 "GLN " " C " 6 0 2 1 607 8.21 + 608 15 8.181000 4.424000 29.480000 38 " " Q A 2 "GLN " " O " 8 0 2 1 608 2.48 + 609 3 5.356000 3.925000 30.153000 38 " " Q A 2 "GLN " " CB " 6 0 2 1 609 2.48 + 610 3 4.597000 4.428000 28.911000 38 " " Q A 2 "GLN " " CG " 6 0 2 1 610 2.48 + 611 2 3.629000 5.573000 29.196000 38 " " Q A 2 "GLN " " CD " 6 0 2 1 611 2.48 + 612 15 3.863000 6.404000 30.071000 38 " " Q A 2 "GLN " " OE1" 8 0 2 1 612 2.48 + 613 25 2.554000 5.645000 28.412000 38 " " Q A 2 "GLN " " NE2" 7 0 2 1 613 2.48 + 614 43 7.466000 2.775000 31.601000 38 " " Q A 2 "GLN " " H " 1 0 2 1 614 8.21 + 615 41 5.908000 2.126000 29.130000 38 " " Q A 2 "GLN " " HA " 1 0 2 1 615 8.21 + 616 41 5.845000 4.752000 30.670000 38 " " Q A 2 "GLN " " HB3" 1 0 2 1 616 2.48 + 617 41 4.635000 3.509000 30.859000 38 " " Q A 2 "GLN " " HB2" 1 0 2 1 617 2.48 + 618 41 4.055000 3.596000 28.461000 38 " " Q A 2 "GLN " " HG3" 1 0 2 1 618 2.48 + 619 41 5.295000 4.791000 28.159000 38 " " Q A 2 "GLN " " HG2" 1 0 2 1 619 2.48 + 620 43 1.890000 6.401000 28.531000 38 " " Q A 2 "GLN " "HE22" 1 0 2 1 620 2.48 + 621 43 2.416000 4.978000 27.665000 38 " " Q A 2 "GLN " "HE21" 1 0 2 1 621 2.48 + 622 25 7.928000 2.799000 27.909000 39 " " K A 2 "LYS " " N " 7 0 0 1 622 16.49 + 623 3 8.827000 3.343000 26.896000 39 " " K A 2 "LYS " " CA " 6 0 0 1 623 16.49 + 624 2 8.205000 4.587000 26.215000 39 " " K A 2 "LYS " " C " 6 0 0 1 624 16.49 + 625 15 6.981000 4.724000 26.235000 39 " " K A 2 "LYS " " O " 8 0 0 1 625 24.43 + 626 3 9.116000 2.218000 25.880000 39 " " K A 2 "LYS " " CB " 6 0 0 1 626 24.43 + 627 3 10.113000 1.160000 26.379000 39 " " K A 2 "LYS " " CG " 6 0 0 1 627 24.43 + 628 3 11.551000 1.685000 26.395000 39 " " K A 2 "LYS " " CD " 6 0 0 1 628 24.43 + 629 3 12.546000 0.689000 26.984000 39 " " K A 2 "LYS " " CE " 6 0 0 1 629 24.43 + 630 32 13.887000 1.280000 26.985000 39 " " K A 2 "LYS " " NZ " 7 1 0 1 630 24.43 + 631 43 7.416000 1.971000 27.641000 39 " " K A 2 "LYS " " H " 1 0 0 1 631 16.49 + 632 41 9.734000 3.626000 27.426000 39 " " K A 2 "LYS " " HA " 1 0 0 1 632 16.49 + 633 41 9.495000 2.631000 24.943000 39 " " K A 2 "LYS " " HB3" 1 0 0 1 633 24.43 + 634 41 8.178000 1.724000 25.633000 39 " " K A 2 "LYS " " HB2" 1 0 0 1 634 24.43 + 635 41 10.058000 0.283000 25.734000 39 " " K A 2 "LYS " " HG3" 1 0 0 1 635 24.43 + 636 41 9.829000 0.822000 27.376000 39 " " K A 2 "LYS " " HG2" 1 0 0 1 636 24.43 + 637 41 11.610000 2.618000 26.952000 39 " " K A 2 "LYS " " HD3" 1 0 0 1 637 24.43 + 638 41 11.851000 1.929000 25.374000 39 " " K A 2 "LYS " " HD2" 1 0 0 1 638 24.43 + 639 41 12.562000 -0.237000 26.408000 39 " " K A 2 "LYS " " HE3" 1 0 0 1 639 24.43 + 640 41 12.272000 0.434000 28.008000 39 " " K A 2 "LYS " " HE2" 1 0 0 1 640 24.43 + 641 44 14.531000 0.638000 27.423000 39 " " K A 2 "LYS " " HZ1" 1 0 0 1 641 24.43 + 642 44 14.180000 1.461000 26.031000 39 " " K A 2 "LYS " " HZ2" 1 0 0 1 642 24.43 + 643 44 13.873000 2.153000 27.498000 39 " " K A 2 "LYS " " HZ3" 1 0 0 1 643 24.43 + 644 25 9.030000 5.472000 25.610000 40 " " P A 2 "PRO " " N " 7 0 0 1 644 15.25 + 645 3 8.519000 6.603000 24.807000 40 " " P A 2 "PRO " " CA " 6 0 0 1 645 15.25 + 646 2 7.609000 6.155000 23.647000 40 " " P A 2 "PRO " " C " 6 0 0 1 646 15.25 + 647 15 8.012000 5.289000 22.869000 40 " " P A 2 "PRO " " O " 8 0 0 1 647 46.14 + 648 3 9.794000 7.301000 24.301000 40 " " P A 2 "PRO " " CB " 6 0 0 1 648 46.14 + 649 3 10.873000 6.899000 25.291000 40 " " P A 2 "PRO " " CG " 6 0 0 1 649 46.14 + 650 3 10.492000 5.476000 25.663000 40 " " P A 2 "PRO " " CD " 6 0 0 1 650 46.14 + 651 41 7.980000 7.273000 25.480000 40 " " P A 2 "PRO " " HA " 1 0 0 1 651 15.25 + 652 41 9.683000 8.384000 24.233000 40 " " P A 2 "PRO " " HB3" 1 0 0 1 652 46.14 + 653 41 10.074000 6.941000 23.309000 40 " " P A 2 "PRO " " HB2" 1 0 0 1 653 46.14 + 654 41 10.805000 7.534000 26.176000 40 " " P A 2 "PRO " " HG3" 1 0 0 1 654 46.14 + 655 41 11.885000 6.981000 24.896000 40 " " P A 2 "PRO " " HG2" 1 0 0 1 655 46.14 + 656 41 10.876000 4.766000 24.929000 40 " " P A 2 "PRO " " HD2" 1 0 0 1 656 46.14 + 657 41 10.907000 5.227000 26.639000 40 " " P A 2 "PRO " " HD3" 1 0 0 1 657 46.14 + 658 25 6.396000 6.734000 23.584000 41 " " W A 2 "TRP " " N " 7 0 0 1 658 30.2 + 659 3 5.369000 6.485000 22.559000 41 " " W A 2 "TRP " " CA " 6 0 0 1 659 30.2 + 660 2 4.902000 5.017000 22.520000 41 " " W A 2 "TRP " " C " 6 0 0 1 660 30.2 + 661 15 4.829000 4.414000 21.449000 41 " " W A 2 "TRP " " O " 8 0 0 1 661 103.49 + 662 3 5.833000 7.013000 21.181000 41 " " W A 2 "TRP " " CB " 6 0 0 1 662 103.49 + 663 2 6.212000 8.462000 21.164000 41 " " W A 2 "TRP " " CG " 6 0 0 1 663 103.49 + 664 2 7.460000 8.955000 21.341000 41 " " W A 2 "TRP " " CD1" 6 0 0 1 664 103.49 + 665 2 5.334000 9.622000 21.058000 41 " " W A 2 "TRP " " CD2" 6 0 0 1 665 103.49 + 666 25 7.417000 10.333000 21.338000 41 " " W A 2 "TRP " " NE1" 7 0 0 1 666 103.49 + 667 2 6.130000 10.803000 21.165000 41 " " W A 2 "TRP " " CE2" 6 0 0 1 667 103.49 + 668 2 3.940000 9.799000 20.886000 41 " " W A 2 "TRP " " CE3" 6 0 0 1 668 103.49 + 669 2 5.574000 12.093000 21.094000 41 " " W A 2 "TRP " " CZ2" 6 0 0 1 669 103.49 + 670 2 3.372000 11.087000 20.809000 41 " " W A 2 "TRP " " CZ3" 6 0 0 1 670 103.49 + 671 2 4.186000 12.232000 20.910000 41 " " W A 2 "TRP " " CH2" 6 0 0 1 671 103.49 + 672 43 6.153000 7.427000 24.278000 41 " " W A 2 "TRP " " H " 1 0 0 1 672 30.2 + 673 41 4.498000 7.069000 22.858000 41 " " W A 2 "TRP " " HA " 1 0 0 1 673 30.2 + 674 41 5.037000 6.877000 20.447000 41 " " W A 2 "TRP " " HB3" 1 0 0 1 674 103.49 + 675 41 6.681000 6.434000 20.812000 41 " " W A 2 "TRP " " HB2" 1 0 0 1 675 103.49 + 676 41 8.343000 8.347000 21.477000 41 " " W A 2 "TRP " " HD1" 1 0 0 1 676 103.49 + 677 43 8.241000 10.905000 21.457000 41 " " W A 2 "TRP " " HE1" 1 0 0 1 677 103.49 + 678 41 3.302000 8.931000 20.805000 41 " " W A 2 "TRP " " HE3" 1 0 0 1 678 103.49 + 679 41 6.202000 12.967000 21.177000 41 " " W A 2 "TRP " " HZ2" 1 0 0 1 679 103.49 + 680 41 2.306000 11.197000 20.670000 41 " " W A 2 "TRP " " HZ3" 1 0 0 1 680 103.49 + 681 41 3.744000 13.216000 20.846000 41 " " W A 2 "TRP " " HH2" 1 0 0 1 681 103.49 + 682 25 4.623000 4.471000 23.712000 42 " " K A 2 "LYS " " N " 7 0 0 1 682 31.24 + 683 3 4.230000 3.085000 23.927000 42 " " K A 2 "LYS " " CA " 6 0 0 1 683 31.24 + 684 2 3.143000 3.008000 25.000000 42 " " K A 2 "LYS " " C " 6 0 0 1 684 31.24 + 685 15 3.133000 3.806000 25.938000 42 " " K A 2 "LYS " " O " 8 0 0 1 685 38.81 + 686 3 5.468000 2.264000 24.363000 42 " " K A 2 "LYS " " CB " 6 0 0 1 686 38.81 + 687 3 6.418000 1.855000 23.220000 42 " " K A 2 "LYS " " CG " 6 0 0 1 687 38.81 + 688 3 5.914000 0.715000 22.317000 42 " " K A 2 "LYS " " CD " 6 0 0 1 688 38.81 + 689 3 5.846000 -0.668000 22.996000 42 " " K A 2 "LYS " " CE " 6 0 0 1 689 38.81 + 690 32 4.632000 -0.855000 23.813000 42 " " K A 2 "LYS " " NZ " 7 1 0 1 690 38.81 + 691 43 4.714000 5.032000 24.548000 42 " " K A 2 "LYS " " H " 1 0 0 1 691 31.24 + 692 41 3.815000 2.672000 23.006000 42 " " K A 2 "LYS " " HA " 1 0 0 1 692 31.24 + 693 41 5.165000 1.373000 24.905000 42 " " K A 2 "LYS " " HB3" 1 0 0 1 693 38.81 + 694 41 6.024000 2.828000 25.103000 42 " " K A 2 "LYS " " HB2" 1 0 0 1 694 38.81 + 695 41 7.381000 1.557000 23.628000 42 " " K A 2 "LYS " " HG3" 1 0 0 1 695 38.81 + 696 41 6.639000 2.724000 22.602000 42 " " K A 2 "LYS " " HG2" 1 0 0 1 696 38.81 + 697 41 6.584000 0.644000 21.460000 42 " " K A 2 "LYS " " HD3" 1 0 0 1 697 38.81 + 698 41 4.941000 0.971000 21.896000 42 " " K A 2 "LYS " " HD2" 1 0 0 1 698 38.81 + 699 41 6.734000 -0.847000 23.604000 42 " " K A 2 "LYS " " HE3" 1 0 0 1 699 38.81 + 700 41 5.832000 -1.440000 22.227000 42 " " K A 2 "LYS " " HE2" 1 0 0 1 700 38.81 + 701 44 4.613000 -0.183000 24.567000 42 " " K A 2 "LYS " " HZ1" 1 0 0 1 701 38.81 + 702 44 3.809000 -0.737000 23.239000 42 " " K A 2 "LYS " " HZ2" 1 0 0 1 702 38.81 + 703 44 4.628000 -1.786000 24.205000 42 " " K A 2 "LYS " " HZ3" 1 0 0 1 703 38.81 + 704 25 2.296000 1.978000 24.868000 43 " " S A 2 "SER " " N " 7 0 0 1 704 2.48 + 705 3 1.436000 1.475000 25.935000 43 " " S A 2 "SER " " CA " 6 0 0 1 705 2.48 + 706 2 2.302000 0.888000 27.083000 43 " " S A 2 "SER " " C " 6 0 0 1 706 2.48 + 707 15 3.294000 0.216000 26.782000 43 " " S A 2 "SER " " O " 8 0 0 1 707 24.03 + 708 3 0.486000 0.429000 25.315000 43 " " S A 2 "SER " " CB " 6 0 0 1 708 24.03 + 709 16 1.160000 -0.722000 24.837000 43 " " S A 2 "SER " " OG " 8 0 0 1 709 24.03 + 710 43 2.352000 1.386000 24.053000 43 " " S A 2 "SER " " H " 1 0 0 1 710 2.48 + 711 41 0.825000 2.315000 26.257000 43 " " S A 2 "SER " " HA " 1 0 0 1 711 2.48 + 712 41 -0.086000 0.869000 24.497000 43 " " S A 2 "SER " " HB3" 1 0 0 1 712 24.03 + 713 41 -0.241000 0.117000 26.063000 43 " " S A 2 "SER " " HB2" 1 0 0 1 713 24.03 + 714 42 0.501000 -1.354000 24.536000 43 " " S A 2 "SER " " HG " 1 0 0 1 714 24.03 + 715 25 1.952000 1.165000 28.363000 44 " " P A 2 "PRO " " N " 7 0 0 1 715 3.96 + 716 3 2.631000 0.567000 29.533000 44 " " P A 2 "PRO " " CA " 6 0 0 1 716 3.96 + 717 2 2.696000 -0.975000 29.536000 44 " " P A 2 "PRO " " C " 6 0 0 1 717 3.96 + 718 15 1.697000 -1.633000 29.250000 44 " " P A 2 "PRO " " O " 8 0 0 1 718 10.55 + 719 3 1.826000 1.088000 30.735000 44 " " P A 2 "PRO " " CB " 6 0 0 1 719 10.55 + 720 3 1.194000 2.378000 30.253000 44 " " P A 2 "PRO " " CG " 6 0 0 1 720 10.55 + 721 3 0.912000 2.107000 28.784000 44 " " P A 2 "PRO " " CD " 6 0 0 1 721 10.55 + 722 41 3.637000 0.991000 29.563000 44 " " P A 2 "PRO " " HA " 1 0 0 1 722 3.96 + 723 41 2.445000 1.244000 31.617000 44 " " P A 2 "PRO " " HB3" 1 0 0 1 723 10.55 + 724 41 1.037000 0.386000 31.008000 44 " " P A 2 "PRO " " HB2" 1 0 0 1 724 10.55 + 725 41 1.920000 3.187000 30.339000 44 " " P A 2 "PRO " " HG3" 1 0 0 1 725 10.55 + 726 41 0.305000 2.662000 30.813000 44 " " P A 2 "PRO " " HG2" 1 0 0 1 726 10.55 + 727 41 -0.062000 1.641000 28.646000 44 " " P A 2 "PRO " " HD2" 1 0 0 1 727 10.55 + 728 41 0.928000 3.051000 28.239000 44 " " P A 2 "PRO " " HD3" 1 0 0 1 728 10.55 + 729 25 3.882000 -1.502000 29.868000 45 " " K A 2 "LYS " " N " 7 0 0 1 729 2.48 + 730 3 4.178000 -2.916000 30.080000 45 " " K A 2 "LYS " " CA " 6 0 0 1 730 2.48 + 731 2 4.242000 -3.193000 31.586000 45 " " K A 2 "LYS " " C " 6 0 0 1 731 2.48 + 732 15 5.031000 -2.563000 32.283000 45 " " K A 2 "LYS " " O " 8 0 0 1 732 57.5 + 733 3 5.518000 -3.257000 29.382000 45 " " K A 2 "LYS " " CB " 6 0 0 1 733 57.5 + 734 3 6.137000 -4.622000 29.759000 45 " " K A 2 "LYS " " CG " 6 0 0 1 734 57.5 + 735 3 7.391000 -4.954000 28.933000 45 " " K A 2 "LYS " " CD " 6 0 0 1 735 57.5 + 736 3 8.206000 -6.140000 29.479000 45 " " K A 2 "LYS " " CE " 6 0 0 1 736 57.5 + 737 32 7.414000 -7.380000 29.552000 45 " " K A 2 "LYS " " NZ " 7 1 0 1 737 57.5 + 738 43 4.646000 -0.872000 30.088000 45 " " K A 2 "LYS " " H " 1 0 0 1 738 2.48 + 739 41 3.395000 -3.531000 29.632000 45 " " K A 2 "LYS " " HA " 1 0 0 1 739 2.48 + 740 41 6.253000 -2.487000 29.624000 45 " " K A 2 "LYS " " HB3" 1 0 0 1 740 57.5 + 741 41 5.375000 -3.202000 28.302000 45 " " K A 2 "LYS " " HB2" 1 0 0 1 741 57.5 + 742 41 5.391000 -5.407000 29.635000 45 " " K A 2 "LYS " " HG3" 1 0 0 1 742 57.5 + 743 41 6.415000 -4.625000 30.814000 45 " " K A 2 "LYS " " HG2" 1 0 0 1 743 57.5 + 744 41 8.037000 -4.076000 28.887000 45 " " K A 2 "LYS " " HD3" 1 0 0 1 744 57.5 + 745 41 7.097000 -5.161000 27.903000 45 " " K A 2 "LYS " " HD2" 1 0 0 1 745 57.5 + 746 41 8.591000 -5.913000 30.473000 45 " " K A 2 "LYS " " HE3" 1 0 0 1 746 57.5 + 747 41 9.071000 -6.318000 28.839000 45 " " K A 2 "LYS " " HE2" 1 0 0 1 747 57.5 + 748 44 7.067000 -7.621000 28.634000 45 " " K A 2 "LYS " " HZ1" 1 0 0 1 748 57.5 + 749 44 7.986000 -8.139000 29.895000 45 " " K A 2 "LYS " " HZ2" 1 0 0 1 749 57.5 + 750 44 6.632000 -7.250000 30.178000 45 " " K A 2 "LYS " " HZ3" 1 0 0 1 750 57.5 + 751 25 3.459000 -4.180000 32.036000 46 " " T A 2 "THR " " N " 7 0 2 1 751 19.71 + 752 3 3.465000 -4.730000 33.391000 46 " " T A 2 "THR " " CA " 6 0 2 1 752 19.71 + 753 2 4.763000 -5.521000 33.683000 46 " " T A 2 "THR " " C " 6 0 2 1 753 19.71 + 754 15 4.982000 -6.572000 33.082000 46 " " T A 2 "THR " " O " 8 0 2 1 754 12.6 + 755 3 2.203000 -5.622000 33.582000 46 " " T A 2 "THR " " CB " 6 0 2 1 755 12.6 + 756 16 2.182000 -6.230000 34.861000 46 " " T A 2 "THR " " OG1" 8 0 2 1 756 12.6 + 757 3 2.033000 -6.730000 32.519000 46 " " T A 2 "THR " " CG2" 6 0 2 1 757 12.6 + 758 43 2.845000 -4.649000 31.386000 46 " " T A 2 "THR " " H " 1 0 2 1 758 19.71 + 759 41 3.399000 -3.897000 34.094000 46 " " T A 2 "THR " " HA " 1 0 2 1 759 19.71 + 760 41 1.324000 -4.984000 33.528000 46 " " T A 2 "THR " " HB " 1 0 2 1 760 12.6 + 761 42 2.828000 -6.940000 34.874000 46 " " T A 2 "THR " " HG1" 1 0 2 1 761 12.6 + 762 41 0.985000 -6.986000 32.401000 46 " " T A 2 "THR " "HG21" 1 0 2 1 762 12.6 + 763 41 2.365000 -6.426000 31.528000 46 " " T A 2 "THR " "HG22" 1 0 2 1 763 12.6 + 764 41 2.576000 -7.640000 32.776000 46 " " T A 2 "THR " "HG23" 1 0 2 1 764 12.6 + 765 25 5.613000 -4.987000 34.577000 47 " " L A 2 "LEU " " N " 7 0 2 1 765 5.76 + 766 3 6.861000 -5.625000 35.004000 47 " " L A 2 "LEU " " CA " 6 0 2 1 766 5.76 + 767 2 6.610000 -6.613000 36.143000 47 " " L A 2 "LEU " " C " 6 0 2 1 767 5.76 + 768 15 6.801000 -7.816000 35.975000 47 " " L A 2 "LEU " " O " 8 0 2 1 768 6.66 + 769 3 7.898000 -4.584000 35.467000 47 " " L A 2 "LEU " " CB " 6 0 2 1 769 6.66 + 770 3 8.470000 -3.688000 34.365000 47 " " L A 2 "LEU " " CG " 6 0 2 1 770 6.66 + 771 3 9.462000 -2.714000 35.011000 47 " " L A 2 "LEU " " CD1" 6 0 2 1 771 6.66 + 772 3 9.115000 -4.487000 33.212000 47 " " L A 2 "LEU " " CD2" 6 0 2 1 772 6.66 + 773 43 5.366000 -4.126000 35.049000 47 " " L A 2 "LEU " " H " 1 0 2 1 773 5.76 + 774 41 7.283000 -6.174000 34.168000 47 " " L A 2 "LEU " " HA " 1 0 2 1 774 5.76 + 775 41 8.732000 -5.108000 35.938000 47 " " L A 2 "LEU " " HB3" 1 0 2 1 775 6.66 + 776 41 7.467000 -3.950000 36.245000 47 " " L A 2 "LEU " " HB2" 1 0 2 1 776 6.66 + 777 41 7.653000 -3.099000 33.944000 47 " " L A 2 "LEU " " HG " 1 0 2 1 777 6.66 + 778 41 10.411000 -2.717000 34.485000 47 " " L A 2 "LEU " "HD11" 1 0 2 1 778 6.66 + 779 41 9.061000 -1.702000 35.005000 47 " " L A 2 "LEU " "HD12" 1 0 2 1 779 6.66 + 780 41 9.682000 -2.959000 36.051000 47 " " L A 2 "LEU " "HD13" 1 0 2 1 780 6.66 + 781 41 10.001000 -4.004000 32.800000 47 " " L A 2 "LEU " "HD21" 1 0 2 1 781 6.66 + 782 41 9.411000 -5.487000 33.523000 47 " " L A 2 "LEU " "HD22" 1 0 2 1 782 6.66 + 783 41 8.406000 -4.590000 32.391000 47 " " L A 2 "LEU " "HD23" 1 0 2 1 783 6.66 + 784 25 6.216000 -6.070000 37.298000 48 " " I A 2 "ILE " " N " 7 0 2 1 784 31.89 + 785 3 5.929000 -6.835000 38.498000 48 " " I A 2 "ILE " " CA " 6 0 2 1 785 31.89 + 786 2 4.479000 -6.564000 38.883000 48 " " I A 2 "ILE " " C " 6 0 2 1 786 31.89 + 787 15 3.993000 -5.450000 38.703000 48 " " I A 2 "ILE " " O " 8 0 2 1 787 6.48 + 788 3 6.896000 -6.448000 39.654000 48 " " I A 2 "ILE " " CB " 6 0 2 1 788 6.48 + 789 3 8.299000 -7.032000 39.385000 48 " " I A 2 "ILE " " CG1" 6 0 2 1 789 6.48 + 790 3 6.441000 -6.822000 41.082000 48 " " I A 2 "ILE " " CG2" 6 0 2 1 790 6.48 + 791 3 9.424000 -6.083000 39.796000 48 " " I A 2 "ILE " " CD1" 6 0 2 1 791 6.48 + 792 43 6.048000 -5.076000 37.353000 48 " " I A 2 "ILE " " H " 1 0 2 1 792 31.89 + 793 41 6.034000 -7.900000 38.299000 48 " " I A 2 "ILE " " HA " 1 0 2 1 793 31.89 + 794 41 6.988000 -5.364000 39.635000 48 " " I A 2 "ILE " " HB " 1 0 2 1 794 6.48 + 795 41 8.432000 -7.233000 38.323000 48 " " I A 2 "ILE " "HG13" 1 0 2 1 795 6.48 + 796 41 8.415000 -7.998000 39.877000 48 " " I A 2 "ILE " "HG12" 1 0 2 1 796 6.48 + 797 41 7.210000 -6.579000 41.813000 48 " " I A 2 "ILE " "HG21" 1 0 2 1 797 6.48 + 798 41 5.543000 -6.283000 41.388000 48 " " I A 2 "ILE " "HG22" 1 0 2 1 798 6.48 + 799 41 6.236000 -7.888000 41.166000 48 " " I A 2 "ILE " "HG23" 1 0 2 1 799 6.48 + 800 41 10.387000 -6.582000 39.718000 48 " " I A 2 "ILE " "HD11" 1 0 2 1 800 6.48 + 801 41 9.448000 -5.215000 39.138000 48 " " I A 2 "ILE " "HD12" 1 0 2 1 801 6.48 + 802 41 9.299000 -5.723000 40.816000 48 " " I A 2 "ILE " "HD13" 1 0 2 1 802 6.48 + 803 25 3.828000 -7.602000 39.407000 49 " " Y A 2 "TYR " " N " 7 0 2 1 803 10.62 + 804 3 2.484000 -7.532000 39.942000 49 " " Y A 2 "TYR " " CA " 6 0 2 1 804 10.62 + 805 2 2.459000 -8.209000 41.311000 49 " " Y A 2 "TYR " " C " 6 0 2 1 805 10.62 + 806 15 3.332000 -9.019000 41.619000 49 " " Y A 2 "TYR " " O " 8 0 2 1 806 15.12 + 807 3 1.499000 -8.169000 38.943000 49 " " Y A 2 "TYR " " CB " 6 0 2 1 807 15.12 + 808 2 1.529000 -9.685000 38.882000 49 " " Y A 2 "TYR " " CG " 6 0 2 1 808 15.12 + 809 2 2.443000 -10.346000 38.039000 49 " " Y A 2 "TYR " " CD1" 6 0 2 1 809 15.12 + 810 2 0.662000 -10.436000 39.701000 49 " " Y A 2 "TYR " " CD2" 6 0 2 1 810 15.12 + 811 2 2.491000 -11.751000 38.017000 49 " " Y A 2 "TYR " " CE1" 6 0 2 1 811 15.12 + 812 2 0.712000 -11.840000 39.685000 49 " " Y A 2 "TYR " " CE2" 6 0 2 1 812 15.12 + 813 2 1.629000 -12.498000 38.844000 49 " " Y A 2 "TYR " " CZ " 6 0 2 1 813 15.12 + 814 16 1.697000 -13.860000 38.849000 49 " " Y A 2 "TYR " " OH " 8 0 2 1 814 15.12 + 815 43 4.303000 -8.490000 39.520000 49 " " Y A 2 "TYR " " H " 1 0 2 1 815 10.62 + 816 41 2.222000 -6.491000 40.101000 49 " " Y A 2 "TYR " " HA " 1 0 2 1 816 10.62 + 817 41 1.645000 -7.755000 37.944000 49 " " Y A 2 "TYR " " HB3" 1 0 2 1 817 15.12 + 818 41 0.490000 -7.884000 39.237000 49 " " Y A 2 "TYR " " HB2" 1 0 2 1 818 15.12 + 819 41 3.120000 -9.775000 37.425000 49 " " Y A 2 "TYR " " HD1" 1 0 2 1 819 15.12 + 820 41 -0.029000 -9.932000 40.359000 49 " " Y A 2 "TYR " " HD2" 1 0 2 1 820 15.12 + 821 41 3.202000 -12.252000 37.377000 49 " " Y A 2 "TYR " " HE1" 1 0 2 1 821 15.12 + 822 41 0.053000 -12.409000 40.325000 49 " " Y A 2 "TYR " " HE2" 1 0 2 1 822 15.12 + 823 42 2.344000 -14.207000 38.229000 49 " " Y A 2 "TYR " " HH " 1 0 2 1 823 15.12 + 824 25 1.438000 -7.859000 42.104000 50 " " Y A 2 "TYR " " N " 7 0 0 1 824 2.48 + 825 3 1.199000 -8.356000 43.460000 50 " " Y A 2 "TYR " " CA " 6 0 0 1 825 2.48 + 826 2 2.437000 -8.210000 44.382000 50 " " Y A 2 "TYR " " C " 6 0 0 1 826 2.48 + 827 15 2.817000 -9.147000 45.085000 50 " " Y A 2 "TYR " " O " 8 0 0 1 827 17.59 + 828 3 0.588000 -9.777000 43.418000 50 " " Y A 2 "TYR " " CB " 6 0 0 1 828 17.59 + 829 2 0.020000 -10.254000 44.744000 50 " " Y A 2 "TYR " " CG " 6 0 0 1 829 17.59 + 830 2 -1.002000 -9.513000 45.376000 50 " " Y A 2 "TYR " " CD1" 6 0 0 1 830 17.59 + 831 2 0.532000 -11.411000 45.368000 50 " " Y A 2 "TYR " " CD2" 6 0 0 1 831 17.59 + 832 2 -1.479000 -9.899000 46.642000 50 " " Y A 2 "TYR " " CE1" 6 0 0 1 832 17.59 + 833 2 0.047000 -11.803000 46.631000 50 " " Y A 2 "TYR " " CE2" 6 0 0 1 833 17.59 + 834 2 -0.949000 -11.040000 47.273000 50 " " Y A 2 "TYR " " CZ " 6 0 0 1 834 17.59 + 835 16 -1.395000 -11.405000 48.510000 50 " " Y A 2 "TYR " " OH " 8 0 0 1 835 17.59 + 836 43 0.776000 -7.173000 41.767000 50 " " Y A 2 "TYR " " H " 1 0 0 1 836 2.48 + 837 41 0.437000 -7.682000 43.841000 50 " " Y A 2 "TYR " " HA " 1 0 0 1 837 2.48 + 838 41 1.319000 -10.495000 43.040000 50 " " Y A 2 "TYR " " HB3" 1 0 0 1 838 17.59 + 839 41 -0.236000 -9.788000 42.706000 50 " " Y A 2 "TYR " " HB2" 1 0 0 1 839 17.59 + 840 41 -1.409000 -8.629000 44.906000 50 " " Y A 2 "TYR " " HD1" 1 0 0 1 840 17.59 + 841 41 1.314000 -11.986000 44.893000 50 " " Y A 2 "TYR " " HD2" 1 0 0 1 841 17.59 + 842 41 -2.244000 -9.310000 47.128000 50 " " Y A 2 "TYR " " HE1" 1 0 0 1 842 17.59 + 843 41 0.451000 -12.681000 47.113000 50 " " Y A 2 "TYR " " HE2" 1 0 0 1 843 17.59 + 844 42 -2.080000 -10.823000 48.847000 50 " " Y A 2 "TYR " " HH " 1 0 0 1 844 17.59 + 845 25 3.057000 -7.021000 44.303000 51 " " A A 2 "ALA " " N " 7 0 0 1 845 10.73 + 846 3 4.257000 -6.551000 44.996000 51 " " A A 2 "ALA " " CA " 6 0 0 1 846 10.73 + 847 2 5.590000 -7.194000 44.572000 51 " " A A 2 "ALA " " C " 6 0 0 1 847 10.73 + 848 15 6.597000 -6.488000 44.630000 51 " " A A 2 "ALA " " O " 8 0 0 1 848 19.54 + 849 3 4.079000 -6.622000 46.523000 51 " " A A 2 "ALA " " CB " 6 0 0 1 849 19.54 + 850 43 2.653000 -6.333000 43.678000 51 " " A A 2 "ALA " " H " 1 0 0 1 850 10.73 + 851 41 4.331000 -5.495000 44.732000 51 " " A A 2 "ALA " " HA " 1 0 0 1 851 10.73 + 852 41 4.922000 -6.164000 47.041000 51 " " A A 2 "ALA " " HB1" 1 0 0 1 852 19.54 + 853 41 3.179000 -6.089000 46.823000 51 " " A A 2 "ALA " " HB2" 1 0 0 1 853 19.54 + 854 41 3.994000 -7.647000 46.883000 51 " " A A 2 "ALA " " HB3" 1 0 0 1 854 19.54 + 855 25 5.607000 -8.489000 44.201000 52 " " T A 2 "THR " " N " 7 0 0 1 855 2.48 + 856 3 6.845000 -9.269000 44.063000 52 " " T A 2 "THR " " CA " 6 0 0 1 856 2.48 + 857 2 6.860000 -10.281000 42.893000 52 " " T A 2 "THR " " C " 6 0 0 1 857 2.48 + 858 15 7.947000 -10.767000 42.578000 52 " " T A 2 "THR " " O " 8 0 0 1 858 2.48 + 859 3 7.185000 -10.044000 45.377000 52 " " T A 2 "THR " " CB " 6 0 0 1 859 2.48 + 860 16 6.415000 -11.224000 45.547000 52 " " T A 2 "THR " " OG1" 8 0 0 1 860 2.48 + 861 3 7.094000 -9.219000 46.673000 52 " " T A 2 "THR " " CG2" 6 0 0 1 861 2.48 + 862 43 4.740000 -9.010000 44.186000 52 " " T A 2 "THR " " H " 1 0 0 1 862 2.48 + 863 41 7.672000 -8.589000 43.852000 52 " " T A 2 "THR " " HA " 1 0 0 1 863 2.48 + 864 41 8.223000 -10.372000 45.296000 52 " " T A 2 "THR " " HB " 1 0 0 1 864 2.48 + 865 42 6.623000 -11.832000 44.833000 52 " " T A 2 "THR " " HG1" 1 0 0 1 865 2.48 + 866 41 7.497000 -9.777000 47.518000 52 " " T A 2 "THR " "HG21" 1 0 0 1 866 2.48 + 867 41 7.656000 -8.291000 46.594000 52 " " T A 2 "THR " "HG22" 1 0 0 1 867 2.48 + 868 41 6.063000 -8.963000 46.916000 52 " " T A 2 "THR " "HG23" 1 0 0 1 868 2.48 + 869 25 5.709000 -10.608000 42.278000 53 " " S A 2 "SER " " N " 7 0 2 1 869 2.48 + 870 3 5.636000 -11.602000 41.200000 53 " " S A 2 "SER " " CA " 6 0 2 1 870 2.48 + 871 2 6.034000 -10.995000 39.847000 53 " " S A 2 "SER " " C " 6 0 2 1 871 2.48 + 872 15 5.460000 -9.985000 39.447000 53 " " S A 2 "SER " " O " 8 0 2 1 872 38.94 + 873 3 4.221000 -12.203000 41.111000 53 " " S A 2 "SER " " CB " 6 0 2 1 873 38.94 + 874 16 3.966000 -13.054000 42.206000 53 " " S A 2 "SER " " OG " 8 0 2 1 874 38.94 + 875 43 4.839000 -10.163000 42.536000 53 " " S A 2 "SER " " H " 1 0 2 1 875 2.48 + 876 41 6.326000 -12.419000 41.421000 53 " " S A 2 "SER " " HA " 1 0 2 1 876 2.48 + 877 41 4.131000 -12.811000 40.211000 53 " " S A 2 "SER " " HB3" 1 0 2 1 877 38.94 + 878 41 3.448000 -11.440000 41.053000 53 " " S A 2 "SER " " HB2" 1 0 2 1 878 38.94 + 879 42 3.085000 -13.424000 42.106000 53 " " S A 2 "SER " " HG " 1 0 2 1 879 38.94 + 880 25 6.975000 -11.653000 39.155000 54 " " L A 2 "LEU " " N " 7 0 2 1 880 38.33 + 881 3 7.427000 -11.310000 37.805000 54 " " L A 2 "LEU " " CA " 6 0 2 1 881 38.33 + 882 2 6.359000 -11.718000 36.767000 54 " " L A 2 "LEU " " C " 6 0 2 1 882 38.33 + 883 15 5.822000 -12.823000 36.862000 54 " " L A 2 "LEU " " O " 8 0 2 1 883 18.16 + 884 3 8.791000 -12.020000 37.578000 54 " " L A 2 "LEU " " CB " 6 0 2 1 884 18.16 + 885 3 9.907000 -11.136000 36.984000 54 " " L A 2 "LEU " " CG " 6 0 2 1 885 18.16 + 886 3 10.130000 -9.836000 37.780000 54 " " L A 2 "LEU " " CD1" 6 0 2 1 886 18.16 + 887 3 11.220000 -11.934000 36.843000 54 " " L A 2 "LEU " " CD2" 6 0 2 1 887 18.16 + 888 43 7.384000 -12.485000 39.554000 54 " " L A 2 "LEU " " H " 1 0 2 1 888 38.33 + 889 41 7.547000 -10.227000 37.763000 54 " " L A 2 "LEU " " HA " 1 0 2 1 889 38.33 + 890 41 8.657000 -12.907000 36.955000 54 " " L A 2 "LEU " " HB3" 1 0 2 1 890 18.16 + 891 41 9.168000 -12.403000 38.529000 54 " " L A 2 "LEU " " HB2" 1 0 2 1 891 18.16 + 892 41 9.592000 -10.861000 35.979000 54 " " L A 2 "LEU " " HG " 1 0 2 1 892 18.16 + 893 41 11.176000 -9.547000 37.795000 54 " " L A 2 "LEU " "HD11" 1 0 2 1 893 18.16 + 894 41 9.591000 -9.009000 37.319000 54 " " L A 2 "LEU " "HD12" 1 0 2 1 894 18.16 + 895 41 9.791000 -9.920000 38.813000 54 " " L A 2 "LEU " "HD13" 1 0 2 1 895 18.16 + 896 41 11.682000 -11.755000 35.874000 54 " " L A 2 "LEU " "HD21" 1 0 2 1 896 18.16 + 897 41 11.951000 -11.662000 37.605000 54 " " L A 2 "LEU " "HD22" 1 0 2 1 897 18.16 + 898 41 11.058000 -13.009000 36.927000 54 " " L A 2 "LEU " "HD23" 1 0 2 1 898 18.16 + 899 25 6.053000 -10.811000 35.823000 55 " " A A 2 "ALA " " N " 7 0 0 1 899 2.48 + 900 3 4.966000 -10.948000 34.841000 55 " " A A 2 "ALA " " CA " 6 0 0 1 900 2.48 + 901 2 5.452000 -11.503000 33.484000 55 " " A A 2 "ALA " " C " 6 0 0 1 901 2.48 + 902 15 6.547000 -12.065000 33.417000 55 " " A A 2 "ALA " " O " 8 0 0 1 902 10.29 + 903 3 4.299000 -9.570000 34.679000 55 " " A A 2 "ALA " " CB " 6 0 0 1 903 10.29 + 904 43 6.540000 -9.925000 35.813000 55 " " A A 2 "ALA " " H " 1 0 0 1 904 2.48 + 905 41 4.214000 -11.639000 35.227000 55 " " A A 2 "ALA " " HA " 1 0 0 1 905 2.48 + 906 41 3.325000 -9.648000 34.195000 55 " " A A 2 "ALA " " HB1" 1 0 0 1 906 10.29 + 907 41 4.145000 -9.075000 35.636000 55 " " A A 2 "ALA " " HB2" 1 0 0 1 907 10.29 + 908 41 4.919000 -8.907000 34.077000 55 " " A A 2 "ALA " " HB3" 1 0 0 1 908 10.29 + 909 25 4.613000 -11.327000 32.439000 56 " " D A 2 "ASP " " N " 7 0 0 1 909 48.32 + 910 3 4.822000 -11.667000 31.019000 56 " " D A 2 "ASP " " CA " 6 0 0 1 910 48.32 + 911 2 6.234000 -11.382000 30.473000 56 " " D A 2 "ASP " " C " 6 0 0 1 911 48.32 + 912 15 6.504000 -10.258000 30.048000 56 " " D A 2 "ASP " " O " 8 0 0 1 912 76.89 + 913 3 3.789000 -10.985000 30.082000 56 " " D A 2 "ASP " " CB " 6 0 0 1 913 76.89 + 914 2 2.346000 -11.451000 30.249000 56 " " D A 2 "ASP " " CG " 6 0 0 1 914 76.89 + 915 15 2.022000 -12.472000 29.604000 56 " " D A 2 "ASP " " OD1" 8 0 0 1 915 76.89 + 916 18 1.587000 -10.769000 30.973000 56 " " D A 2 "ASP " " OD2" 8 -1 0 1 916 76.89 + 917 43 3.728000 -10.875000 32.622000 56 " " D A 2 "ASP " " H " 1 0 0 1 917 48.32 + 918 41 4.662000 -12.745000 30.949000 56 " " D A 2 "ASP " " HA " 1 0 0 1 918 48.32 + 919 41 4.053000 -11.120000 29.031000 56 " " D A 2 "ASP " " HB3" 1 0 0 1 919 76.89 + 920 41 3.807000 -9.902000 30.220000 56 " " D A 2 "ASP " " HB2" 1 0 0 1 920 76.89 + 921 25 7.087000 -12.423000 30.466000 57 " " G A 2 "GLY " " N " 7 0 0 1 921 49.84 + 922 3 8.417000 -12.439000 29.846000 57 " " G A 2 "GLY " " CA " 6 0 0 1 922 49.84 + 923 2 9.392000 -11.375000 30.381000 57 " " G A 2 "GLY " " C " 6 0 0 1 923 49.84 + 924 15 10.293000 -10.967000 29.650000 57 " " G A 2 "GLY " " O " 8 0 0 1 924 21.25 + 925 43 6.774000 -13.296000 30.865000 57 " " G A 2 "GLY " " H " 1 0 0 1 925 49.84 + 926 41 8.305000 -12.312000 28.769000 57 " " G A 2 "GLY " " HA3" 1 0 0 1 926 49.84 + 927 41 8.861000 -13.422000 30.002000 57 " " G A 2 "GLY " " HA2" 1 0 0 1 927 49.84 + 928 25 9.195000 -10.894000 31.618000 58 " " V A 2 "VAL " " N " 7 0 0 1 928 12.04 + 929 3 9.978000 -9.821000 32.230000 58 " " V A 2 "VAL " " CA " 6 0 0 1 929 12.04 + 930 2 11.356000 -10.355000 32.693000 58 " " V A 2 "VAL " " C " 6 0 0 1 930 12.04 + 931 15 11.381000 -11.419000 33.314000 58 " " V A 2 "VAL " " O " 8 0 0 1 931 7.91 + 932 3 9.186000 -9.252000 33.436000 58 " " V A 2 "VAL " " CB " 6 0 0 1 932 7.91 + 933 3 9.997000 -8.347000 34.393000 58 " " V A 2 "VAL " " CG1" 6 0 0 1 933 7.91 + 934 3 7.959000 -8.496000 32.901000 58 " " V A 2 "VAL " " CG2" 6 0 0 1 934 7.91 + 935 43 8.439000 -11.268000 32.177000 58 " " V A 2 "VAL " " H " 1 0 0 1 935 12.04 + 936 41 10.061000 -9.028000 31.492000 58 " " V A 2 "VAL " " HA " 1 0 0 1 936 12.04 + 937 41 8.805000 -10.092000 34.018000 58 " " V A 2 "VAL " " HB " 1 0 0 1 937 7.91 + 938 41 9.352000 -7.878000 35.135000 58 " " V A 2 "VAL " "HG11" 1 0 0 1 938 7.91 + 939 41 10.751000 -8.908000 34.943000 58 " " V A 2 "VAL " "HG12" 1 0 0 1 939 7.91 + 940 41 10.505000 -7.550000 33.851000 58 " " V A 2 "VAL " "HG13" 1 0 0 1 940 7.91 + 941 41 7.232000 -8.318000 33.682000 58 " " V A 2 "VAL " "HG21" 1 0 0 1 941 7.91 + 942 41 8.237000 -7.540000 32.460000 58 " " V A 2 "VAL " "HG22" 1 0 0 1 942 7.91 + 943 41 7.422000 -9.064000 32.146000 58 " " V A 2 "VAL " "HG23" 1 0 0 1 943 7.91 + 944 25 12.468000 -9.643000 32.371000 59 " " P A 2 "PRO " " N " 7 0 0 1 944 2.48 + 945 3 13.828000 -10.041000 32.793000 59 " " P A 2 "PRO " " CA " 6 0 0 1 945 2.48 + 946 2 14.005000 -10.260000 34.306000 59 " " P A 2 "PRO " " C " 6 0 0 1 946 2.48 + 947 15 13.443000 -9.517000 35.111000 59 " " P A 2 "PRO " " O " 8 0 0 1 947 23.15 + 948 3 14.730000 -8.902000 32.290000 59 " " P A 2 "PRO " " CB " 6 0 0 1 948 23.15 + 949 3 13.976000 -8.294000 31.126000 59 " " P A 2 "PRO " " CG " 6 0 0 1 949 23.15 + 950 3 12.518000 -8.435000 31.539000 59 " " P A 2 "PRO " " CD " 6 0 0 1 950 23.15 + 951 41 14.070000 -10.959000 32.253000 59 " " P A 2 "PRO " " HA " 1 0 0 1 951 2.48 + 952 41 15.720000 -9.253000 31.998000 59 " " P A 2 "PRO " " HB3" 1 0 0 1 952 23.15 + 953 41 14.871000 -8.142000 33.056000 59 " " P A 2 "PRO " " HB2" 1 0 0 1 953 23.15 + 954 41 14.156000 -8.894000 30.233000 59 " " P A 2 "PRO " " HG3" 1 0 0 1 954 23.15 + 955 41 14.270000 -7.268000 30.902000 59 " " P A 2 "PRO " " HG2" 1 0 0 1 955 23.15 + 956 41 12.194000 -7.578000 32.128000 59 " " P A 2 "PRO " " HD2" 1 0 0 1 956 23.15 + 957 41 11.904000 -8.495000 30.640000 59 " " P A 2 "PRO " " HD3" 1 0 0 1 957 23.15 + 958 25 14.801000 -11.283000 34.649000 60 " " S A 2 "SER " " N " 7 0 0 1 958 2.48 + 959 3 15.138000 -11.683000 36.017000 60 " " S A 2 "SER " " CA " 6 0 0 1 959 2.48 + 960 2 15.903000 -10.631000 36.852000 60 " " S A 2 "SER " " C " 6 0 0 1 960 2.48 + 961 15 15.925000 -10.767000 38.075000 60 " " S A 2 "SER " " O " 8 0 0 1 961 28.26 + 962 3 15.872000 -13.037000 35.954000 60 " " S A 2 "SER " " CB " 6 0 0 1 962 28.26 + 963 16 17.124000 -12.927000 35.304000 60 " " S A 2 "SER " " OG " 8 0 0 1 963 28.26 + 964 43 15.232000 -11.837000 33.923000 60 " " S A 2 "SER " " H " 1 0 0 1 964 2.48 + 965 41 14.193000 -11.852000 36.535000 60 " " S A 2 "SER " " HA " 1 0 0 1 965 2.48 + 966 41 15.265000 -13.777000 35.432000 60 " " S A 2 "SER " " HB3" 1 0 0 1 966 28.26 + 967 41 16.037000 -13.426000 36.960000 60 " " S A 2 "SER " " HB2" 1 0 0 1 967 28.26 + 968 42 17.560000 -13.782000 35.330000 60 " " S A 2 "SER " " HG " 1 0 0 1 968 28.26 + 969 25 16.480000 -9.597000 36.205000 61 " " R A 2 "ARG " " N " 7 0 0 1 969 16.6 + 970 3 17.116000 -8.457000 36.876000 61 " " R A 2 "ARG " " CA " 6 0 0 1 970 16.6 + 971 2 16.110000 -7.526000 37.583000 61 " " R A 2 "ARG " " C " 6 0 0 1 971 16.6 + 972 15 16.505000 -6.857000 38.536000 61 " " R A 2 "ARG " " O " 8 0 0 1 972 2.48 + 973 3 18.024000 -7.685000 35.890000 61 " " R A 2 "ARG " " CB " 6 0 0 1 973 2.48 + 974 3 17.310000 -6.815000 34.835000 61 " " R A 2 "ARG " " CG " 6 0 0 1 974 2.48 + 975 3 18.292000 -5.934000 34.055000 61 " " R A 2 "ARG " " CD " 6 0 0 1 975 2.48 + 976 25 17.649000 -5.215000 32.948000 61 " " R A 2 "ARG " " NE " 7 0 0 1 976 2.48 + 977 2 17.360000 -5.735000 31.744000 61 " " R A 2 "ARG " " CZ " 6 0 0 1 977 2.48 + 978 25 17.638000 -7.012000 31.453000 61 " " R A 2 "ARG " " NH1" 7 0 0 1 978 2.48 + 979 31 16.789000 -4.964000 30.813000 61 " " R A 2 "ARG " " NH2" 7 1 0 1 979 2.48 + 980 43 16.431000 -9.558000 35.198000 61 " " R A 2 "ARG " " H " 1 0 0 1 980 16.6 + 981 41 17.764000 -8.862000 37.655000 61 " " R A 2 "ARG " " HA " 1 0 0 1 981 16.6 + 982 41 18.691000 -8.388000 35.389000 61 " " R A 2 "ARG " " HB3" 1 0 0 1 982 2.48 + 983 41 18.675000 -7.032000 36.473000 61 " " R A 2 "ARG " " HB2" 1 0 0 1 983 2.48 + 984 41 16.656000 -6.125000 35.369000 61 " " R A 2 "ARG " " HG3" 1 0 0 1 984 2.48 + 985 41 16.665000 -7.392000 34.176000 61 " " R A 2 "ARG " " HG2" 1 0 0 1 985 2.48 + 986 41 19.216000 -6.441000 33.777000 61 " " R A 2 "ARG " " HD3" 1 0 0 1 986 2.48 + 987 41 18.575000 -5.125000 34.726000 61 " " R A 2 "ARG " " HD2" 1 0 0 1 987 2.48 + 988 43 17.454000 -4.229000 33.098000 61 " " R A 2 "ARG " " HE " 1 0 0 1 988 2.48 + 989 43 17.503000 -7.356000 30.513000 61 " " R A 2 "ARG " "HH12" 1 0 0 1 989 2.48 + 990 43 18.126000 -7.586000 32.125000 61 " " R A 2 "ARG " "HH11" 1 0 0 1 990 2.48 + 991 44 16.647000 -5.302000 29.872000 61 " " R A 2 "ARG " "HH22" 1 0 0 1 991 2.48 + 992 44 16.519000 -4.007000 31.041000 61 " " R A 2 "ARG " "HH21" 1 0 0 1 992 2.48 + 993 25 14.844000 -7.509000 37.127000 62 " " F A 2 "PHE " " N " 7 0 2 1 993 19.31 + 994 3 13.738000 -6.856000 37.825000 62 " " F A 2 "PHE " " CA " 6 0 2 1 994 19.31 + 995 2 13.323000 -7.702000 39.037000 62 " " F A 2 "PHE " " C " 6 0 2 1 995 19.31 + 996 15 13.293000 -8.930000 38.948000 62 " " F A 2 "PHE " " O " 8 0 2 1 996 14.3 + 997 3 12.543000 -6.636000 36.872000 62 " " F A 2 "PHE " " CB " 6 0 2 1 997 14.3 + 998 2 12.791000 -5.645000 35.747000 62 " " F A 2 "PHE " " CG " 6 0 2 1 998 14.3 + 999 2 12.680000 -4.259000 35.978000 62 " " F A 2 "PHE " " CD1" 6 0 2 1 999 14.3 + 1000 2 13.288000 -6.082000 34.502000 62 " " F A 2 "PHE " " CD2" 6 0 2 1 1000 14.3 + 1001 2 12.983000 -3.356000 34.968000 62 " " F A 2 "PHE " " CE1" 6 0 2 1 1001 14.3 + 1002 2 13.603000 -5.164000 33.510000 62 " " F A 2 "PHE " " CE2" 6 0 2 1 1002 14.3 + 1003 2 13.441000 -3.804000 33.739000 62 " " F A 2 "PHE " " CZ " 6 0 2 1 1003 14.3 + 1004 43 14.586000 -8.097000 36.346000 62 " " F A 2 "PHE " " H " 1 0 2 1 1004 19.31 + 1005 41 14.073000 -5.878000 38.176000 62 " " F A 2 "PHE " " HA " 1 0 2 1 1005 19.31 + 1006 41 11.688000 -6.272000 37.444000 62 " " F A 2 "PHE " " HB3" 1 0 2 1 1006 14.3 + 1007 41 12.224000 -7.586000 36.443000 62 " " F A 2 "PHE " " HB2" 1 0 2 1 1007 14.3 + 1008 41 12.364000 -3.888000 36.936000 62 " " F A 2 "PHE " " HD1" 1 0 2 1 1008 14.3 + 1009 41 13.413000 -7.134000 34.318000 62 " " F A 2 "PHE " " HD2" 1 0 2 1 1009 14.3 + 1010 41 12.886000 -2.297000 35.149000 62 " " F A 2 "PHE " " HE1" 1 0 2 1 1010 14.3 + 1011 41 13.977000 -5.504000 32.556000 62 " " F A 2 "PHE " " HE2" 1 0 2 1 1011 14.3 + 1012 41 13.683000 -3.092000 32.965000 62 " " F A 2 "PHE " " HZ " 1 0 2 1 1012 14.3 + 1013 25 13.014000 -7.025000 40.148000 63 " " S A 2 "SER " " N " 7 0 2 1 1013 10.07 + 1014 3 12.595000 -7.647000 41.399000 63 " " S A 2 "SER " " CA " 6 0 2 1 1014 10.07 + 1015 2 11.891000 -6.602000 42.270000 63 " " S A 2 "SER " " C " 6 0 2 1 1015 10.07 + 1016 15 12.368000 -5.473000 42.376000 63 " " S A 2 "SER " " O " 8 0 2 1 1016 43.94 + 1017 3 13.797000 -8.322000 42.097000 63 " " S A 2 "SER " " CB " 6 0 2 1 1017 43.94 + 1018 16 14.799000 -7.391000 42.454000 63 " " S A 2 "SER " " OG " 8 0 2 1 1018 43.94 + 1019 43 13.098000 -6.017000 40.166000 63 " " S A 2 "SER " " H " 1 0 2 1 1019 10.07 + 1020 41 11.864000 -8.423000 41.157000 63 " " S A 2 "SER " " HA " 1 0 2 1 1020 10.07 + 1021 41 14.240000 -9.092000 41.464000 63 " " S A 2 "SER " " HB3" 1 0 2 1 1021 43.94 + 1022 41 13.465000 -8.828000 43.005000 63 " " S A 2 "SER " " HB2" 1 0 2 1 1022 43.94 + 1023 42 15.198000 -7.053000 41.647000 63 " " S A 2 "SER " " HG " 1 0 2 1 1023 43.94 + 1024 25 10.756000 -7.005000 42.856000 64 " " G A 2 "GLY " " N " 7 0 2 1 1024 20.29 + 1025 3 9.934000 -6.155000 43.705000 64 " " G A 2 "GLY " " CA " 6 0 2 1 1025 20.29 + 1026 2 9.986000 -6.705000 45.130000 64 " " G A 2 "GLY " " C " 6 0 2 1 1026 20.29 + 1027 15 9.974000 -7.919000 45.333000 64 " " G A 2 "GLY " " O " 8 0 2 1 1027 10.63 + 1028 43 10.440000 -7.955000 42.729000 64 " " G A 2 "GLY " " H " 1 0 2 1 1028 20.29 + 1029 41 8.906000 -6.193000 43.349000 64 " " G A 2 "GLY " " HA3" 1 0 2 1 1029 20.29 + 1030 41 10.242000 -5.113000 43.665000 64 " " G A 2 "GLY " " HA2" 1 0 2 1 1030 20.29 + 1031 25 9.983000 -5.794000 46.109000 65 " " S A 2 "SER " " N " 7 0 2 1 1031 18.08 + 1032 3 9.873000 -6.088000 47.535000 65 " " S A 2 "SER " " CA " 6 0 2 1 1032 18.08 + 1033 2 8.845000 -5.133000 48.143000 65 " " S A 2 "SER " " C " 6 0 2 1 1033 18.08 + 1034 15 8.756000 -3.989000 47.697000 65 " " S A 2 "SER " " O " 8 0 2 1 1034 28.31 + 1035 3 11.249000 -5.897000 48.206000 65 " " S A 2 "SER " " CB " 6 0 2 1 1035 28.31 + 1036 16 12.062000 -7.031000 47.989000 65 " " S A 2 "SER " " OG " 8 0 2 1 1036 28.31 + 1037 43 9.982000 -4.811000 45.868000 65 " " S A 2 "SER " " H " 1 0 2 1 1037 18.08 + 1038 41 9.517000 -7.107000 47.703000 65 " " S A 2 "SER " " HA " 1 0 2 1 1038 18.08 + 1039 41 11.143000 -5.777000 49.285000 65 " " S A 2 "SER " " HB3" 1 0 2 1 1039 28.31 + 1040 41 11.754000 -5.004000 47.836000 65 " " S A 2 "SER " " HB2" 1 0 2 1 1040 28.31 + 1041 42 12.232000 -7.108000 47.047000 65 " " S A 2 "SER " " HG " 1 0 2 1 1041 28.31 + 1042 25 8.120000 -5.596000 49.171000 66 " " G A 2 "GLY " " N " 7 0 2 1 1042 18.48 + 1043 3 7.235000 -4.718000 49.921000 66 " " G A 2 "GLY " " CA " 6 0 2 1 1043 18.48 + 1044 2 6.126000 -5.489000 50.629000 66 " " G A 2 "GLY " " C " 6 0 2 1 1044 18.48 + 1045 15 5.864000 -6.663000 50.360000 66 " " G A 2 "GLY " " O " 8 0 2 1 1045 7.35 + 1046 43 8.217000 -6.549000 49.489000 66 " " G A 2 "GLY " " H " 1 0 2 1 1046 18.48 + 1047 41 6.759000 -3.993000 49.265000 66 " " G A 2 "GLY " " HA3" 1 0 2 1 1047 18.48 + 1048 41 7.825000 -4.164000 50.652000 66 " " G A 2 "GLY " " HA2" 1 0 2 1 1048 18.48 + 1049 25 5.471000 -4.759000 51.539000 67 " " S A 2 "SER " " N " 7 0 2 1 1049 2.48 + 1050 3 4.389000 -5.202000 52.406000 67 " " S A 2 "SER " " CA " 6 0 2 1 1050 2.48 + 1051 2 3.836000 -3.956000 53.113000 67 " " S A 2 "SER " " C " 6 0 2 1 1051 2.48 + 1052 15 4.620000 -3.110000 53.550000 67 " " S A 2 "SER " " O " 8 0 2 1 1052 28.72 + 1053 3 4.918000 -6.256000 53.411000 67 " " S A 2 "SER " " CB " 6 0 2 1 1053 28.72 + 1054 16 3.883000 -6.790000 54.209000 67 " " S A 2 "SER " " OG " 8 0 2 1 1054 28.72 + 1055 43 5.742000 -3.792000 51.669000 67 " " S A 2 "SER " " H " 1 0 2 1 1055 2.48 + 1056 41 3.608000 -5.639000 51.781000 67 " " S A 2 "SER " " HA " 1 0 2 1 1056 2.48 + 1057 41 5.678000 -5.823000 54.063000 67 " " S A 2 "SER " " HB3" 1 0 2 1 1057 28.72 + 1058 41 5.388000 -7.093000 52.896000 67 " " S A 2 "SER " " HB2" 1 0 2 1 1058 28.72 + 1059 42 3.331000 -7.354000 53.663000 67 " " S A 2 "SER " " HG " 1 0 2 1 1059 28.72 + 1060 25 2.503000 -3.868000 53.238000 68 " " G A 2 "GLY " " N " 7 0 0 1 1060 9.73 + 1061 3 1.849000 -2.776000 53.952000 68 " " G A 2 "GLY " " CA " 6 0 0 1 1061 9.73 + 1062 2 1.834000 -1.510000 53.091000 68 " " G A 2 "GLY " " C " 6 0 0 1 1062 9.73 + 1063 15 1.115000 -1.446000 52.094000 68 " " G A 2 "GLY " " O " 8 0 0 1 1063 58.2 + 1064 43 1.909000 -4.594000 52.865000 68 " " G A 2 "GLY " " H " 1 0 0 1 1064 9.73 + 1065 41 2.340000 -2.595000 54.910000 68 " " G A 2 "GLY " " HA3" 1 0 0 1 1065 9.73 + 1066 41 0.832000 -3.067000 54.183000 68 " " G A 2 "GLY " " HA2" 1 0 0 1 1066 9.73 + 1067 25 2.601000 -0.503000 53.533000 69 " " Q A 2 "GLN " " N " 7 0 0 1 1067 6.32 + 1068 3 2.751000 0.797000 52.886000 69 " " Q A 2 "GLN " " CA " 6 0 0 1 1068 6.32 + 1069 2 3.991000 0.884000 51.988000 69 " " Q A 2 "GLN " " C " 6 0 0 1 1069 6.32 + 1070 15 3.917000 1.540000 50.953000 69 " " Q A 2 "GLN " " O " 8 0 0 1 1070 40.55 + 1071 3 2.809000 1.894000 53.965000 69 " " Q A 2 "GLN " " CB " 6 0 0 1 1071 40.55 + 1072 3 1.445000 2.159000 54.619000 69 " " Q A 2 "GLN " " CG " 6 0 0 1 1072 40.55 + 1073 2 1.528000 3.259000 55.675000 69 " " Q A 2 "GLN " " CD " 6 0 0 1 1073 40.55 + 1074 15 2.140000 3.071000 56.723000 69 " " Q A 2 "GLN " " OE1" 8 0 0 1 1074 40.55 + 1075 25 0.907000 4.409000 55.415000 69 " " Q A 2 "GLN " " NE2" 7 0 0 1 1075 40.55 + 1076 43 3.151000 -0.639000 54.370000 69 " " Q A 2 "GLN " " H " 1 0 0 1 1076 6.32 + 1077 41 1.883000 0.989000 52.254000 69 " " Q A 2 "GLN " " HA " 1 0 0 1 1077 6.32 + 1078 41 3.168000 2.826000 53.523000 69 " " Q A 2 "GLN " " HB3" 1 0 0 1 1078 40.55 + 1079 41 3.544000 1.625000 54.726000 69 " " Q A 2 "GLN " " HB2" 1 0 0 1 1079 40.55 + 1080 41 1.065000 1.253000 55.093000 69 " " Q A 2 "GLN " " HG3" 1 0 0 1 1080 40.55 + 1081 41 0.723000 2.435000 53.853000 69 " " Q A 2 "GLN " " HG2" 1 0 0 1 1081 40.55 + 1082 43 0.928000 5.160000 56.088000 69 " " Q A 2 "GLN " "HE22" 1 0 0 1 1082 40.55 + 1083 43 0.442000 4.543000 54.528000 69 " " Q A 2 "GLN " "HE21" 1 0 0 1 1083 40.55 + 1084 25 5.101000 0.250000 52.400000 70 " " D A 2 "ASP " " N " 7 0 2 1 1084 21.38 + 1085 3 6.404000 0.357000 51.740000 70 " " D A 2 "ASP " " CA " 6 0 2 1 1085 21.38 + 1086 2 6.554000 -0.669000 50.618000 70 " " D A 2 "ASP " " C " 6 0 2 1 1086 21.38 + 1087 15 6.333000 -1.858000 50.845000 70 " " D A 2 "ASP " " O " 8 0 2 1 1087 37.14 + 1088 3 7.579000 0.243000 52.732000 70 " " D A 2 "ASP " " CB " 6 0 2 1 1088 37.14 + 1089 2 7.479000 1.258000 53.870000 70 " " D A 2 "ASP " " CG " 6 0 2 1 1089 37.14 + 1090 15 7.737000 2.448000 53.583000 70 " " D A 2 "ASP " " OD1" 8 0 2 1 1090 37.14 + 1091 18 7.153000 0.829000 54.998000 70 " " D A 2 "ASP " " OD2" 8 -1 2 1 1091 37.14 + 1092 43 5.086000 -0.282000 53.258000 70 " " D A 2 "ASP " " H " 1 0 2 1 1092 21.38 + 1093 41 6.472000 1.353000 51.295000 70 " " D A 2 "ASP " " HA " 1 0 2 1 1093 21.38 + 1094 41 8.540000 0.376000 52.234000 70 " " D A 2 "ASP " " HB3" 1 0 2 1 1094 37.14 + 1095 41 7.622000 -0.759000 53.162000 70 " " D A 2 "ASP " " HB2" 1 0 2 1 1095 37.14 + 1096 25 6.944000 -0.169000 49.436000 71 " " Y A 2 "TYR " " N " 7 0 2 1 1096 34.85 + 1097 3 7.216000 -0.950000 48.234000 71 " " Y A 2 "TYR " " CA " 6 0 2 1 1097 34.85 + 1098 2 8.401000 -0.351000 47.486000 71 " " Y A 2 "TYR " " C " 6 0 2 1 1098 34.85 + 1099 15 8.633000 0.857000 47.561000 71 " " Y A 2 "TYR " " O " 8 0 2 1 1099 14.33 + 1100 3 5.991000 -0.984000 47.302000 71 " " Y A 2 "TYR " " CB " 6 0 2 1 1100 14.33 + 1101 2 4.784000 -1.650000 47.917000 71 " " Y A 2 "TYR " " CG " 6 0 2 1 1101 14.33 + 1102 2 4.656000 -3.053000 47.889000 71 " " Y A 2 "TYR " " CD1" 6 0 2 1 1102 14.33 + 1103 2 3.843000 -0.869000 48.612000 71 " " Y A 2 "TYR " " CD2" 6 0 2 1 1103 14.33 + 1104 2 3.635000 -3.678000 48.630000 71 " " Y A 2 "TYR " " CE1" 6 0 2 1 1104 14.33 + 1105 2 2.833000 -1.495000 49.358000 71 " " Y A 2 "TYR " " CE2" 6 0 2 1 1105 14.33 + 1106 2 2.735000 -2.899000 49.380000 71 " " Y A 2 "TYR " " CZ " 6 0 2 1 1106 14.33 + 1107 16 1.782000 -3.500000 50.147000 71 " " Y A 2 "TYR " " OH " 8 0 2 1 1107 14.33 + 1108 43 7.085000 0.828000 49.341000 71 " " Y A 2 "TYR " " H " 1 0 2 1 1108 34.85 + 1109 41 7.481000 -1.965000 48.525000 71 " " Y A 2 "TYR " " HA " 1 0 2 1 1109 34.85 + 1110 41 6.253000 -1.526000 46.393000 71 " " Y A 2 "TYR " " HB3" 1 0 2 1 1110 14.33 + 1111 41 5.726000 0.028000 46.992000 71 " " Y A 2 "TYR " " HB2" 1 0 2 1 1111 14.33 + 1112 41 5.377000 -3.655000 47.355000 71 " " Y A 2 "TYR " " HD1" 1 0 2 1 1112 14.33 + 1113 41 3.935000 0.207000 48.631000 71 " " Y A 2 "TYR " " HD2" 1 0 2 1 1113 14.33 + 1114 41 3.574000 -4.754000 48.661000 71 " " Y A 2 "TYR " " HE1" 1 0 2 1 1114 14.33 + 1115 41 2.150000 -0.880000 49.920000 71 " " Y A 2 "TYR " " HE2" 1 0 2 1 1115 14.33 + 1116 42 1.341000 -2.870000 50.726000 71 " " Y A 2 "TYR " " HH " 1 0 2 1 1116 14.33 + 1117 25 9.099000 -1.215000 46.741000 72 " " S A 2 "SER " " N " 7 0 2 1 1117 7.15 + 1118 3 10.230000 -0.831000 45.917000 72 " " S A 2 "SER " " CA " 6 0 2 1 1118 7.15 + 1119 2 10.413000 -1.800000 44.745000 72 " " S A 2 "SER " " C " 6 0 2 1 1119 7.15 + 1120 15 10.396000 -3.012000 44.949000 72 " " S A 2 "SER " " O " 8 0 2 1 1120 11.52 + 1121 3 11.495000 -0.681000 46.794000 72 " " S A 2 "SER " " CB " 6 0 2 1 1121 11.52 + 1122 16 11.972000 -1.921000 47.286000 72 " " S A 2 "SER " " OG " 8 0 2 1 1122 11.52 + 1123 43 8.874000 -2.202000 46.758000 72 " " S A 2 "SER " " H " 1 0 2 1 1123 7.15 + 1124 41 9.985000 0.138000 45.488000 72 " " S A 2 "SER " " HA " 1 0 2 1 1124 7.15 + 1125 41 11.314000 -0.011000 47.635000 72 " " S A 2 "SER " " HB3" 1 0 2 1 1125 11.52 + 1126 41 12.286000 -0.221000 46.207000 72 " " S A 2 "SER " " HB2" 1 0 2 1 1126 11.52 + 1127 42 12.245000 -2.461000 46.541000 72 " " S A 2 "SER " " HG " 1 0 2 1 1127 11.52 + 1128 25 10.639000 -1.225000 43.554000 73 " " L A 2 "LEU " " N " 7 0 2 1 1128 23.26 + 1129 3 11.184000 -1.900000 42.379000 73 " " L A 2 "LEU " " CA " 6 0 2 1 1129 23.26 + 1130 2 12.709000 -1.763000 42.468000 73 " " L A 2 "LEU " " C " 6 0 2 1 1130 23.26 + 1131 15 13.186000 -0.670000 42.771000 73 " " L A 2 "LEU " " O " 8 0 2 1 1131 18.63 + 1132 3 10.695000 -1.178000 41.095000 73 " " L A 2 "LEU " " CB " 6 0 2 1 1132 18.63 + 1133 3 10.458000 -2.055000 39.842000 73 " " L A 2 "LEU " " CG " 6 0 2 1 1133 18.63 + 1134 3 10.266000 -1.176000 38.590000 73 " " L A 2 "LEU " " CD1" 6 0 2 1 1134 18.63 + 1135 3 11.520000 -3.133000 39.581000 73 " " L A 2 "LEU " " CD2" 6 0 2 1 1135 18.63 + 1136 43 10.651000 -0.214000 43.505000 73 " " L A 2 "LEU " " H " 1 0 2 1 1136 23.26 + 1137 41 10.875000 -2.947000 42.379000 73 " " L A 2 "LEU " " HA " 1 0 2 1 1137 23.26 + 1138 41 11.391000 -0.380000 40.831000 73 " " L A 2 "LEU " " HB3" 1 0 2 1 1138 18.63 + 1139 41 9.769000 -0.650000 41.308000 73 " " L A 2 "LEU " " HB2" 1 0 2 1 1139 18.63 + 1140 41 9.525000 -2.590000 40.014000 73 " " L A 2 "LEU " " HG " 1 0 2 1 1140 18.63 + 1141 41 9.423000 -1.521000 37.995000 73 " " L A 2 "LEU " "HD11" 1 0 2 1 1141 18.63 + 1142 41 10.079000 -0.131000 38.842000 73 " " L A 2 "LEU " "HD12" 1 0 2 1 1142 18.63 + 1143 41 11.143000 -1.197000 37.941000 73 " " L A 2 "LEU " "HD13" 1 0 2 1 1143 18.63 + 1144 41 11.241000 -3.719000 38.709000 73 " " L A 2 "LEU " "HD21" 1 0 2 1 1144 18.63 + 1145 41 12.505000 -2.701000 39.401000 73 " " L A 2 "LEU " "HD22" 1 0 2 1 1145 18.63 + 1146 41 11.594000 -3.844000 40.401000 73 " " L A 2 "LEU " "HD23" 1 0 2 1 1146 18.63 + 1147 25 13.445000 -2.833000 42.151000 74 " " T A 2 "THR " " N " 7 0 2 1 1147 17.7 + 1148 3 14.892000 -2.780000 41.986000 74 " " T A 2 "THR " " CA " 6 0 2 1 1148 17.7 + 1149 2 15.290000 -3.474000 40.675000 74 " " T A 2 "THR " " C " 6 0 2 1 1149 17.7 + 1150 15 14.802000 -4.566000 40.380000 74 " " T A 2 "THR " " O " 8 0 2 1 1150 13.84 + 1151 3 15.682000 -3.353000 43.205000 74 " " T A 2 "THR " " CB " 6 0 2 1 1151 13.84 + 1152 16 16.026000 -4.723000 43.124000 74 " " T A 2 "THR " " OG1" 8 0 2 1 1152 13.84 + 1153 3 15.055000 -3.062000 44.578000 74 " " T A 2 "THR " " CG2" 6 0 2 1 1153 13.84 + 1154 43 13.002000 -3.719000 41.942000 74 " " T A 2 "THR " " H " 1 0 2 1 1154 17.7 + 1155 41 15.185000 -1.738000 41.880000 74 " " T A 2 "THR " " HA " 1 0 2 1 1155 17.7 + 1156 41 16.643000 -2.836000 43.201000 74 " " T A 2 "THR " " HB " 1 0 2 1 1156 13.84 + 1157 42 15.222000 -5.251000 43.139000 74 " " T A 2 "THR " " HG1" 1 0 2 1 1157 13.84 + 1158 41 15.717000 -3.375000 45.386000 74 " " T A 2 "THR " "HG21" 1 0 2 1 1158 13.84 + 1159 41 14.871000 -1.996000 44.703000 74 " " T A 2 "THR " "HG22" 1 0 2 1 1159 13.84 + 1160 41 14.106000 -3.583000 44.708000 74 " " T A 2 "THR " "HG23" 1 0 2 1 1160 13.84 + 1161 25 16.167000 -2.802000 39.917000 75 " " I A 2 "ILE " " N " 7 0 2 1 1161 20.83 + 1162 3 16.788000 -3.311000 38.699000 75 " " I A 2 "ILE " " CA " 6 0 2 1 1162 20.83 + 1163 2 18.253000 -3.571000 39.063000 75 " " I A 2 "ILE " " C " 6 0 2 1 1163 20.83 + 1164 15 18.968000 -2.618000 39.367000 75 " " I A 2 "ILE " " O " 8 0 2 1 1164 6.75 + 1165 3 16.742000 -2.267000 37.547000 75 " " I A 2 "ILE " " CB " 6 0 2 1 1165 6.75 + 1166 3 15.293000 -1.914000 37.160000 75 " " I A 2 "ILE " " CG1" 6 0 2 1 1166 6.75 + 1167 3 17.537000 -2.698000 36.294000 75 " " I A 2 "ILE " " CG2" 6 0 2 1 1167 6.75 + 1168 3 15.137000 -0.550000 36.474000 75 " " I A 2 "ILE " " CD1" 6 0 2 1 1168 6.75 + 1169 43 16.515000 -1.909000 40.243000 75 " " I A 2 "ILE " " H " 1 0 2 1 1169 20.83 + 1170 41 16.311000 -4.232000 38.361000 75 " " I A 2 "ILE " " HA " 1 0 2 1 1170 20.83 + 1171 41 17.197000 -1.355000 37.916000 75 " " I A 2 "ILE " " HB " 1 0 2 1 1171 6.75 + 1172 41 14.645000 -1.907000 38.036000 75 " " I A 2 "ILE " "HG13" 1 0 2 1 1172 6.75 + 1173 41 14.913000 -2.704000 36.522000 75 " " I A 2 "ILE " "HG12" 1 0 2 1 1173 6.75 + 1174 41 17.483000 -1.943000 35.514000 75 " " I A 2 "ILE " "HG21" 1 0 2 1 1174 6.75 + 1175 41 18.596000 -2.852000 36.497000 75 " " I A 2 "ILE " "HG22" 1 0 2 1 1175 6.75 + 1176 41 17.138000 -3.623000 35.880000 75 " " I A 2 "ILE " "HG23" 1 0 2 1 1176 6.75 + 1177 41 14.137000 -0.439000 36.056000 75 " " I A 2 "ILE " "HD11" 1 0 2 1 1177 6.75 + 1178 41 15.280000 0.258000 37.190000 75 " " I A 2 "ILE " "HD12" 1 0 2 1 1178 6.75 + 1179 41 15.848000 -0.408000 35.661000 75 " " I A 2 "ILE " "HD13" 1 0 2 1 1179 6.75 + 1180 25 18.644000 -4.854000 39.068000 76 " " S A 2 "SER " " N " 7 0 0 1 1180 37.45 + 1181 3 19.934000 -5.335000 39.564000 76 " " S A 2 "SER " " CA " 6 0 0 1 1181 37.45 + 1182 2 21.143000 -4.851000 38.751000 76 " " S A 2 "SER " " C " 6 0 0 1 1182 37.45 + 1183 15 22.118000 -4.386000 39.339000 76 " " S A 2 "SER " " O " 8 0 0 1 1183 48.43 + 1184 3 19.914000 -6.873000 39.617000 76 " " S A 2 "SER " " CB " 6 0 0 1 1184 48.43 + 1185 16 19.046000 -7.312000 40.639000 76 " " S A 2 "SER " " OG " 8 0 0 1 1185 48.43 + 1186 43 17.970000 -5.573000 38.838000 76 " " S A 2 "SER " " H " 1 0 0 1 1186 37.45 + 1187 41 20.057000 -4.961000 40.579000 76 " " S A 2 "SER " " HA " 1 0 0 1 1187 37.45 + 1188 41 20.909000 -7.266000 39.837000 76 " " S A 2 "SER " " HB3" 1 0 0 1 1188 48.43 + 1189 41 19.604000 -7.304000 38.665000 76 " " S A 2 "SER " " HB2" 1 0 0 1 1189 48.43 + 1190 42 19.015000 -8.272000 40.629000 76 " " S A 2 "SER " " HG " 1 0 0 1 1190 48.43 + 1191 25 21.055000 -4.990000 37.423000 77 " " S A 2 "SER " " N " 7 0 0 1 1191 23.65 + 1192 3 22.139000 -4.695000 36.500000 77 " " S A 2 "SER " " CA " 6 0 0 1 1192 23.65 + 1193 2 21.520000 -3.938000 35.325000 77 " " S A 2 "SER " " C " 6 0 0 1 1193 23.65 + 1194 15 21.049000 -4.561000 34.378000 77 " " S A 2 "SER " " O " 8 0 0 1 1194 35.29 + 1195 3 22.835000 -6.024000 36.126000 77 " " S A 2 "SER " " CB " 6 0 0 1 1195 35.29 + 1196 16 24.025000 -5.810000 35.399000 77 " " S A 2 "SER " " OG " 8 0 0 1 1196 35.29 + 1197 43 20.208000 -5.354000 37.011000 77 " " S A 2 "SER " " H " 1 0 0 1 1197 23.65 + 1198 41 22.871000 -4.039000 36.974000 77 " " S A 2 "SER " " HA " 1 0 0 1 1198 23.65 + 1199 41 22.173000 -6.670000 35.548000 77 " " S A 2 "SER " " HB3" 1 0 0 1 1199 35.29 + 1200 41 23.098000 -6.575000 37.029000 77 " " S A 2 "SER " " HB2" 1 0 0 1 1200 35.29 + 1201 42 24.681000 -5.434000 35.992000 77 " " S A 2 "SER " " HG " 1 0 0 1 1201 35.29 + 1202 25 21.468000 -2.605000 35.467000 78 " " L A 2 "LEU " " N " 7 0 0 1 1202 7.9 + 1203 3 20.819000 -1.655000 34.564000 78 " " L A 2 "LEU " " CA " 6 0 0 1 1203 7.9 + 1204 2 21.352000 -1.749000 33.122000 78 " " L A 2 "LEU " " C " 6 0 0 1 1204 7.9 + 1205 15 22.564000 -1.797000 32.927000 78 " " L A 2 "LEU " " O " 8 0 0 1 1205 19.72 + 1206 3 21.012000 -0.256000 35.185000 78 " " L A 2 "LEU " " CB " 6 0 0 1 1206 19.72 + 1207 3 20.299000 0.913000 34.490000 78 " " L A 2 "LEU " " CG " 6 0 0 1 1207 19.72 + 1208 3 18.781000 0.852000 34.703000 78 " " L A 2 "LEU " " CD1" 6 0 0 1 1208 19.72 + 1209 3 20.864000 2.249000 34.995000 78 " " L A 2 "LEU " " CD2" 6 0 0 1 1209 19.72 + 1210 43 21.865000 -2.192000 36.301000 78 " " L A 2 "LEU " " H " 1 0 0 1 1210 7.9 + 1211 41 19.757000 -1.900000 34.556000 78 " " L A 2 "LEU " " HA " 1 0 0 1 1211 7.9 + 1212 41 22.083000 -0.048000 35.223000 78 " " L A 2 "LEU " " HB3" 1 0 0 1 1212 19.72 + 1213 41 20.669000 -0.273000 36.220000 78 " " L A 2 "LEU " " HB2" 1 0 0 1 1213 19.72 + 1214 41 20.490000 0.858000 33.419000 78 " " L A 2 "LEU " " HG " 1 0 0 1 1214 19.72 + 1215 41 18.281000 1.686000 34.212000 78 " " L A 2 "LEU " "HD11" 1 0 0 1 1215 19.72 + 1216 41 18.359000 -0.063000 34.294000 78 " " L A 2 "LEU " "HD12" 1 0 0 1 1216 19.72 + 1217 41 18.532000 0.883000 35.764000 78 " " L A 2 "LEU " "HD13" 1 0 0 1 1217 19.72 + 1218 41 20.102000 3.023000 35.069000 78 " " L A 2 "LEU " "HD21" 1 0 0 1 1218 19.72 + 1219 41 21.332000 2.152000 35.975000 78 " " L A 2 "LEU " "HD22" 1 0 0 1 1219 19.72 + 1220 41 21.625000 2.613000 34.308000 78 " " L A 2 "LEU " "HD23" 1 0 0 1 1220 19.72 + 1221 25 20.436000 -1.796000 32.146000 79 " " E A 2 "GLU " " N " 7 0 0 1 1221 12.8 + 1222 3 20.753000 -1.991000 30.730000 79 " " E A 2 "GLU " " CA " 6 0 0 1 1222 12.8 + 1223 2 20.158000 -0.878000 29.860000 79 " " E A 2 "GLU " " C " 6 0 0 1 1223 12.8 + 1224 15 19.432000 -0.016000 30.356000 79 " " E A 2 "GLU " " O " 8 0 0 1 1224 59.84 + 1225 3 20.288000 -3.398000 30.296000 79 " " E A 2 "GLU " " CB " 6 0 0 1 1225 59.84 + 1226 3 21.225000 -4.506000 30.819000 79 " " E A 2 "GLU " " CG " 6 0 0 1 1226 59.84 + 1227 2 20.794000 -5.929000 30.460000 79 " " E A 2 "GLU " " CD " 6 0 0 1 1227 59.84 + 1228 15 19.882000 -6.079000 29.617000 79 " " E A 2 "GLU " " OE1" 8 0 0 1 1228 59.84 + 1229 18 21.395000 -6.857000 31.043000 79 " " E A 2 "GLU " " OE2" 8 -1 0 1 1229 59.84 + 1230 43 19.451000 -1.765000 32.380000 79 " " E A 2 "GLU " " H " 1 0 0 1 1230 12.8 + 1231 41 21.830000 -1.929000 30.567000 79 " " E A 2 "GLU " " HA " 1 0 0 1 1231 12.8 + 1232 41 20.229000 -3.469000 29.209000 79 " " E A 2 "GLU " " HB3" 1 0 0 1 1232 59.84 + 1233 41 19.274000 -3.574000 30.662000 79 " " E A 2 "GLU " " HB2" 1 0 0 1 1233 59.84 + 1234 41 21.307000 -4.448000 31.901000 79 " " E A 2 "GLU " " HG3" 1 0 0 1 1234 59.84 + 1235 41 22.231000 -4.352000 30.428000 79 " " E A 2 "GLU " " HG2" 1 0 0 1 1235 59.84 + 1236 25 20.521000 -0.911000 28.566000 80 " " S A 2 "SER " " N " 7 0 0 1 1236 19.63 + 1237 3 20.147000 0.077000 27.554000 80 " " S A 2 "SER " " CA " 6 0 0 1 1237 19.63 + 1238 2 18.628000 0.223000 27.368000 80 " " S A 2 "SER " " C " 6 0 0 1 1238 19.63 + 1239 15 18.155000 1.355000 27.309000 80 " " S A 2 "SER " " O " 8 0 0 1 1239 57.46 + 1240 3 20.822000 -0.268000 26.213000 80 " " S A 2 "SER " " CB " 6 0 0 1 1240 57.46 + 1241 16 22.222000 -0.100000 26.290000 80 " " S A 2 "SER " " OG " 8 0 0 1 1241 57.46 + 1242 43 21.133000 -1.647000 28.246000 80 " " S A 2 "SER " " H " 1 0 0 1 1242 19.63 + 1243 41 20.525000 1.044000 27.891000 80 " " S A 2 "SER " " HA " 1 0 0 1 1243 19.63 + 1244 41 20.465000 0.402000 25.431000 80 " " S A 2 "SER " " HB3" 1 0 0 1 1244 57.46 + 1245 41 20.589000 -1.286000 25.898000 80 " " S A 2 "SER " " HB2" 1 0 0 1 1245 57.46 + 1246 42 22.592000 -0.232000 25.413000 80 " " S A 2 "SER " " HG " 1 0 0 1 1246 57.46 + 1247 25 17.885000 -0.901000 27.319000 81 " " D A 2 "ASP " " N " 7 0 0 1 1247 21.2 + 1248 3 16.422000 -0.907000 27.187000 81 " " D A 2 "ASP " " CA " 6 0 0 1 1248 21.2 + 1249 2 15.696000 -0.821000 28.552000 81 " " D A 2 "ASP " " C " 6 0 0 1 1249 21.2 + 1250 15 14.535000 -1.220000 28.644000 81 " " D A 2 "ASP " " O " 8 0 0 1 1250 40.41 + 1251 3 15.842000 -2.024000 26.276000 81 " " D A 2 "ASP " " CB " 6 0 0 1 1251 40.41 + 1252 2 16.190000 -3.469000 26.643000 81 " " D A 2 "ASP " " CG " 6 0 0 1 1252 40.41 + 1253 15 17.284000 -3.699000 27.202000 81 " " D A 2 "ASP " " OD1" 8 0 0 1 1253 40.41 + 1254 18 15.368000 -4.338000 26.279000 81 " " D A 2 "ASP " " OD2" 8 -1 0 1 1254 40.41 + 1255 43 18.321000 -1.812000 27.384000 81 " " D A 2 "ASP " " H " 1 0 0 1 1255 21.2 + 1256 41 16.159000 0.013000 26.667000 81 " " D A 2 "ASP " " HA " 1 0 0 1 1256 21.2 + 1257 41 16.191000 -1.867000 25.257000 81 " " D A 2 "ASP " " HB3" 1 0 0 1 1257 40.41 + 1258 41 14.756000 -1.930000 26.233000 81 " " D A 2 "ASP " " HB2" 1 0 0 1 1258 40.41 + 1259 25 16.350000 -0.222000 29.560000 82 " " D A 2 "ASP " " N " 7 0 0 1 1259 9.62 + 1260 3 15.735000 0.218000 30.817000 82 " " D A 2 "ASP " " CA " 6 0 0 1 1260 9.62 + 1261 2 15.498000 1.736000 30.843000 82 " " D A 2 "ASP " " C " 6 0 0 1 1261 9.62 + 1262 15 14.923000 2.211000 31.823000 82 " " D A 2 "ASP " " O " 8 0 0 1 1262 12.97 + 1263 3 16.498000 -0.258000 32.077000 82 " " D A 2 "ASP " " CB " 6 0 0 1 1263 12.97 + 1264 2 16.664000 -1.777000 32.164000 82 " " D A 2 "ASP " " CG " 6 0 0 1 1264 12.97 + 1265 15 15.818000 -2.491000 31.584000 82 " " D A 2 "ASP " " OD1" 8 0 0 1 1265 12.97 + 1266 18 17.583000 -2.217000 32.887000 82 " " D A 2 "ASP " " OD2" 8 -1 0 1 1266 12.97 + 1267 43 17.317000 0.046000 29.430000 82 " " D A 2 "ASP " " H " 1 0 0 1 1267 9.62 + 1268 41 14.733000 -0.208000 30.886000 82 " " D A 2 "ASP " " HA " 1 0 0 1 1268 9.62 + 1269 41 15.995000 0.075000 32.986000 82 " " D A 2 "ASP " " HB3" 1 0 0 1 1269 12.97 + 1270 41 17.489000 0.196000 32.069000 82 " " D A 2 "ASP " " HB2" 1 0 0 1 1270 12.97 + 1271 25 15.875000 2.470000 29.774000 83 " " T A 2 "THR " " N " 7 0 0 1 1271 6.9 + 1272 3 15.532000 3.884000 29.623000 83 " " T A 2 "THR " " CA " 6 0 0 1 1272 6.9 + 1273 2 14.041000 4.061000 29.294000 83 " " T A 2 "THR " " C " 6 0 0 1 1273 6.9 + 1274 15 13.620000 3.856000 28.156000 83 " " T A 2 "THR " " O " 8 0 0 1 1274 41.89 + 1275 3 16.364000 4.665000 28.568000 83 " " T A 2 "THR " " CB " 6 0 0 1 1275 41.89 + 1276 16 17.581000 4.022000 28.265000 83 " " T A 2 "THR " " OG1" 8 0 0 1 1276 41.89 + 1277 3 16.713000 6.044000 29.129000 83 " " T A 2 "THR " " CG2" 6 0 0 1 1277 41.89 + 1278 43 16.394000 2.050000 29.015000 83 " " T A 2 "THR " " H " 1 0 0 1 1278 6.9 + 1279 41 15.712000 4.343000 30.598000 83 " " T A 2 "THR " " HA " 1 0 0 1 1279 6.9 + 1280 41 15.846000 4.792000 27.616000 83 " " T A 2 "THR " " HB " 1 0 0 1 1280 41.89 + 1281 42 18.141000 4.630000 27.773000 83 " " T A 2 "THR " " HG1" 1 0 0 1 1281 41.89 + 1282 41 17.398000 6.587000 28.498000 83 " " T A 2 "THR " "HG21" 1 0 0 1 1282 41.89 + 1283 41 15.822000 6.658000 29.266000 83 " " T A 2 "THR " "HG22" 1 0 0 1 1283 41.89 + 1284 41 17.211000 5.935000 30.090000 83 " " T A 2 "THR " "HG23" 1 0 0 1 1284 41.89 + 1285 25 13.266000 4.363000 30.337000 84 " " A A 2 "ALA " " N " 7 0 2 1 1285 8.95 + 1286 3 11.812000 4.330000 30.338000 84 " " A A 2 "ALA " " CA " 6 0 2 1 1286 8.95 + 1287 2 11.308000 5.055000 31.586000 84 " " A A 2 "ALA " " C " 6 0 2 1 1287 8.95 + 1288 15 12.101000 5.397000 32.468000 84 " " A A 2 "ALA " " O " 8 0 2 1 1288 12.75 + 1289 3 11.339000 2.863000 30.327000 84 " " A A 2 "ALA " " CB " 6 0 2 1 1289 12.75 + 1290 43 13.690000 4.530000 31.239000 84 " " A A 2 "ALA " " H " 1 0 2 1 1290 8.95 + 1291 41 11.431000 4.852000 29.458000 84 " " A A 2 "ALA " " HA " 1 0 2 1 1291 8.95 + 1292 41 10.255000 2.791000 30.412000 84 " " A A 2 "ALA " " HB1" 1 0 2 1 1292 12.75 + 1293 41 11.619000 2.358000 29.404000 84 " " A A 2 "ALA " " HB2" 1 0 2 1 1293 12.75 + 1294 41 11.775000 2.302000 31.155000 84 " " A A 2 "ALA " " HB3" 1 0 2 1 1294 12.75 + 1295 25 9.985000 5.256000 31.639000 85 " " T A 2 "THR " " N " 7 0 2 1 1295 14.54 + 1296 3 9.310000 5.801000 32.809000 85 " " T A 2 "THR " " CA " 6 0 2 1 1296 14.54 + 1297 2 8.583000 4.673000 33.553000 85 " " T A 2 "THR " " C " 6 0 2 1 1297 14.54 + 1298 15 7.786000 3.962000 32.950000 85 " " T A 2 "THR " " O " 8 0 2 1 1298 8.36 + 1299 3 8.288000 6.901000 32.445000 85 " " T A 2 "THR " " CB " 6 0 2 1 1299 8.36 + 1300 16 8.944000 7.890000 31.675000 85 " " T A 2 "THR " " OG1" 8 0 2 1 1300 8.36 + 1301 3 7.681000 7.605000 33.673000 85 " " T A 2 "THR " " CG2" 6 0 2 1 1301 8.36 + 1302 43 9.390000 4.942000 30.883000 85 " " T A 2 "THR " " H " 1 0 2 1 1302 14.54 + 1303 41 10.043000 6.254000 33.467000 85 " " T A 2 "THR " " HA " 1 0 2 1 1303 14.54 + 1304 41 7.484000 6.486000 31.834000 85 " " T A 2 "THR " " HB " 1 0 2 1 1304 8.36 + 1305 42 9.256000 7.482000 30.864000 85 " " T A 2 "THR " " HG1" 1 0 2 1 1305 8.36 + 1306 41 7.017000 8.414000 33.369000 85 " " T A 2 "THR " "HG21" 1 0 2 1 1306 8.36 + 1307 41 7.100000 6.924000 34.294000 85 " " T A 2 "THR " "HG22" 1 0 2 1 1307 8.36 + 1308 41 8.457000 8.043000 34.301000 85 " " T A 2 "THR " "HG23" 1 0 2 1 1308 8.36 + 1309 25 8.886000 4.534000 34.848000 86 " " Y A 2 "TYR " " N " 7 0 2 1 1309 2.48 + 1310 3 8.351000 3.501000 35.726000 86 " " Y A 2 "TYR " " CA " 6 0 2 1 1310 2.48 + 1311 2 7.279000 4.113000 36.617000 86 " " Y A 2 "TYR " " C " 6 0 2 1 1311 2.48 + 1312 15 7.551000 5.142000 37.223000 86 " " Y A 2 "TYR " " O " 8 0 2 1 1312 2.48 + 1313 3 9.488000 2.918000 36.583000 86 " " Y A 2 "TYR " " CB " 6 0 2 1 1313 2.48 + 1314 2 10.531000 2.214000 35.745000 86 " " Y A 2 "TYR " " CG " 6 0 2 1 1314 2.48 + 1315 2 11.571000 2.955000 35.145000 86 " " Y A 2 "TYR " " CD1" 6 0 2 1 1315 2.48 + 1316 2 10.422000 0.832000 35.500000 86 " " Y A 2 "TYR " " CD2" 6 0 2 1 1316 2.48 + 1317 2 12.474000 2.320000 34.276000 86 " " Y A 2 "TYR " " CE1" 6 0 2 1 1317 2.48 + 1318 2 11.350000 0.200000 34.654000 86 " " Y A 2 "TYR " " CE2" 6 0 2 1 1318 2.48 + 1319 2 12.372000 0.940000 34.040000 86 " " Y A 2 "TYR " " CZ " 6 0 2 1 1319 2.48 + 1320 16 13.253000 0.316000 33.210000 86 " " Y A 2 "TYR " " OH " 8 0 2 1 1320 2.48 + 1321 43 9.534000 5.186000 35.274000 86 " " Y A 2 "TYR " " H " 1 0 2 1 1321 2.48 + 1322 41 7.945000 2.693000 35.129000 86 " " Y A 2 "TYR " " HA " 1 0 2 1 1322 2.48 + 1323 41 9.087000 2.207000 37.308000 86 " " Y A 2 "TYR " " HB3" 1 0 2 1 1323 2.48 + 1324 41 9.971000 3.705000 37.166000 86 " " Y A 2 "TYR " " HB2" 1 0 2 1 1324 2.48 + 1325 41 11.654000 4.020000 35.314000 86 " " Y A 2 "TYR " " HD1" 1 0 2 1 1325 2.48 + 1326 41 9.622000 0.265000 35.952000 86 " " Y A 2 "TYR " " HD2" 1 0 2 1 1326 2.48 + 1327 41 13.234000 2.891000 33.773000 86 " " Y A 2 "TYR " " HE1" 1 0 2 1 1327 2.48 + 1328 41 11.284000 -0.850000 34.451000 86 " " Y A 2 "TYR " " HE2" 1 0 2 1 1328 2.48 + 1329 42 13.913000 0.919000 32.851000 86 " " Y A 2 "TYR " " HH " 1 0 2 1 1329 2.48 + 1330 25 6.114000 3.462000 36.711000 87 " " Y A 2 "TYR " " N " 7 0 2 1 1330 25.21 + 1331 3 5.017000 3.832000 37.605000 87 " " Y A 2 "TYR " " CA " 6 0 2 1 1331 25.21 + 1332 2 4.730000 2.649000 38.522000 87 " " Y A 2 "TYR " " C " 6 0 2 1 1332 25.21 + 1333 15 4.704000 1.522000 38.033000 87 " " Y A 2 "TYR " " O " 8 0 2 1 1333 13.88 + 1334 3 3.740000 4.131000 36.793000 87 " " Y A 2 "TYR " " CB " 6 0 2 1 1334 13.88 + 1335 2 3.890000 5.226000 35.762000 87 " " Y A 2 "TYR " " CG " 6 0 2 1 1335 13.88 + 1336 2 3.711000 6.575000 36.130000 87 " " Y A 2 "TYR " " CD1" 6 0 2 1 1336 13.88 + 1337 2 4.224000 4.895000 34.433000 87 " " Y A 2 "TYR " " CD2" 6 0 2 1 1337 13.88 + 1338 2 3.868000 7.591000 35.169000 87 " " Y A 2 "TYR " " CE1" 6 0 2 1 1338 13.88 + 1339 2 4.375000 5.911000 33.474000 87 " " Y A 2 "TYR " " CE2" 6 0 2 1 1339 13.88 + 1340 2 4.193000 7.258000 33.839000 87 " " Y A 2 "TYR " " CZ " 6 0 2 1 1340 13.88 + 1341 16 4.339000 8.234000 32.899000 87 " " Y A 2 "TYR " " OH " 8 0 2 1 1341 13.88 + 1342 43 5.973000 2.620000 36.165000 87 " " Y A 2 "TYR " " H " 1 0 2 1 1342 25.21 + 1343 41 5.267000 4.707000 38.204000 87 " " Y A 2 "TYR " " HA " 1 0 2 1 1343 25.21 + 1344 41 2.931000 4.411000 37.470000 87 " " Y A 2 "TYR " " HB3" 1 0 2 1 1344 13.88 + 1345 41 3.393000 3.232000 36.280000 87 " " Y A 2 "TYR " " HB2" 1 0 2 1 1345 13.88 + 1346 41 3.465000 6.833000 37.149000 87 " " Y A 2 "TYR " " HD1" 1 0 2 1 1346 13.88 + 1347 41 4.369000 3.864000 34.146000 87 " " Y A 2 "TYR " " HD2" 1 0 2 1 1347 13.88 + 1348 41 3.745000 8.623000 35.459000 87 " " Y A 2 "TYR " " HE1" 1 0 2 1 1348 13.88 + 1349 41 4.633000 5.651000 32.460000 87 " " Y A 2 "TYR " " HE2" 1 0 2 1 1349 13.88 + 1350 42 4.527000 7.882000 32.025000 87 " " Y A 2 "TYR " " HH " 1 0 2 1 1350 13.88 + 1351 25 4.419000 2.922000 39.797000 88 " " C A 2 "CYS " " N " 7 0 2 1 1351 5.78 + 1352 3 3.623000 1.990000 40.594000 88 " " C A 2 "CYS " " CA " 6 0 2 1 1352 5.78 + 1353 2 2.133000 2.281000 40.361000 88 " " C A 2 "CYS " " C " 6 0 2 1 1353 5.78 + 1354 15 1.778000 3.390000 39.968000 88 " " C A 2 "CYS " " O " 8 0 2 1 1354 2.48 + 1355 3 4.007000 2.054000 42.077000 88 " " C A 2 "CYS " " CB " 6 0 2 1 1355 2.48 + 1356 49 3.663000 3.594000 42.958000 88 " " C A 2 "CYS " " SG " 16 0 2 1 1356 2.48 + 1357 43 4.471000 3.871000 40.140000 88 " " C A 2 "CYS " " H " 1 0 2 1 1357 5.78 + 1358 41 3.842000 0.975000 40.275000 88 " " C A 2 "CYS " " HA " 1 0 2 1 1358 5.78 + 1359 41 5.061000 1.822000 42.185000 88 " " C A 2 "CYS " " HB3" 1 0 2 1 1359 2.48 + 1360 41 3.494000 1.256000 42.607000 88 " " C A 2 "CYS " " HB2" 1 0 2 1 1360 2.48 + 1361 25 1.298000 1.270000 40.604000 89 " " L A 2 "LEU " " N " 7 0 2 1 1361 2.48 + 1362 3 -0.143000 1.313000 40.422000 89 " " L A 2 "LEU " " CA " 6 0 2 1 1362 2.48 + 1363 2 -0.740000 0.444000 41.521000 89 " " L A 2 "LEU " " C " 6 0 2 1 1363 2.48 + 1364 15 -0.556000 -0.772000 41.486000 89 " " L A 2 "LEU " " O " 8 0 2 1 1364 2.48 + 1365 3 -0.488000 0.851000 38.981000 89 " " L A 2 "LEU " " CB " 6 0 2 1 1365 2.48 + 1366 3 -1.985000 0.709000 38.602000 89 " " L A 2 "LEU " " CG " 6 0 2 1 1366 2.48 + 1367 3 -2.603000 -0.624000 39.050000 89 " " L A 2 "LEU " " CD1" 6 0 2 1 1367 2.48 + 1368 3 -2.853000 1.923000 38.991000 89 " " L A 2 "LEU " " CD2" 6 0 2 1 1368 2.48 + 1369 43 1.675000 0.373000 40.879000 89 " " L A 2 "LEU " " H " 1 0 2 1 1369 2.48 + 1370 41 -0.497000 2.332000 40.568000 89 " " L A 2 "LEU " " HA " 1 0 2 1 1370 2.48 + 1371 41 0.023000 -0.090000 38.777000 89 " " L A 2 "LEU " " HB3" 1 0 2 1 1371 2.48 + 1372 41 -0.033000 1.563000 38.295000 89 " " L A 2 "LEU " " HB2" 1 0 2 1 1372 2.48 + 1373 41 -1.989000 0.667000 37.512000 89 " " L A 2 "LEU " " HG " 1 0 2 1 1373 2.48 + 1374 41 -3.327000 -0.989000 38.320000 89 " " L A 2 "LEU " "HD11" 1 0 2 1 1374 2.48 + 1375 41 -1.854000 -1.405000 39.182000 89 " " L A 2 "LEU " "HD12" 1 0 2 1 1375 2.48 + 1376 41 -3.113000 -0.503000 40.001000 89 " " L A 2 "LEU " "HD13" 1 0 2 1 1376 2.48 + 1377 41 -3.547000 2.175000 38.189000 89 " " L A 2 "LEU " "HD21" 1 0 2 1 1377 2.48 + 1378 41 -3.447000 1.741000 39.884000 89 " " L A 2 "LEU " "HD22" 1 0 2 1 1378 2.48 + 1379 41 -2.251000 2.809000 39.178000 89 " " L A 2 "LEU " "HD23" 1 0 2 1 1379 2.48 + 1380 25 -1.433000 1.087000 42.474000 90 " " Q A 2 "GLN " " N " 7 0 2 1 1380 7.53 + 1381 3 -2.201000 0.389000 43.497000 90 " " Q A 2 "GLN " " CA " 6 0 2 1 1381 7.53 + 1382 2 -3.592000 0.086000 42.921000 90 " " Q A 2 "GLN " " C " 6 0 2 1 1382 7.53 + 1383 15 -4.195000 0.950000 42.283000 90 " " Q A 2 "GLN " " O " 8 0 2 1 1383 2.48 + 1384 3 -2.177000 1.189000 44.827000 90 " " Q A 2 "GLN " " CB " 6 0 2 1 1384 2.48 + 1385 3 -3.333000 2.171000 45.137000 90 " " Q A 2 "GLN " " CG " 6 0 2 1 1385 2.48 + 1386 2 -4.619000 1.513000 45.661000 90 " " Q A 2 "GLN " " CD " 6 0 2 1 1386 2.48 + 1387 15 -4.611000 0.384000 46.150000 90 " " Q A 2 "GLN " " OE1" 8 0 2 1 1387 2.48 + 1388 25 -5.740000 2.224000 45.551000 90 " " Q A 2 "GLN " " NE2" 7 0 2 1 1388 2.48 + 1389 43 -1.544000 2.092000 42.432000 90 " " Q A 2 "GLN " " H " 1 0 2 1 1389 7.53 + 1390 41 -1.693000 -0.550000 43.694000 90 " " Q A 2 "GLN " " HA " 1 0 2 1 1390 7.53 + 1391 41 -1.242000 1.744000 44.860000 90 " " Q A 2 "GLN " " HB3" 1 0 2 1 1391 2.48 + 1392 41 -2.087000 0.481000 45.651000 90 " " Q A 2 "GLN " " HB2" 1 0 2 1 1392 2.48 + 1393 41 -3.550000 2.777000 44.259000 90 " " Q A 2 "GLN " " HG3" 1 0 2 1 1393 2.48 + 1394 41 -3.003000 2.865000 45.910000 90 " " Q A 2 "GLN " " HG2" 1 0 2 1 1394 2.48 + 1395 43 -6.625000 1.833000 45.846000 90 " " Q A 2 "GLN " "HE22" 1 0 2 1 1395 2.48 + 1396 43 -5.732000 3.150000 45.149000 90 " " Q A 2 "GLN " "HE21" 1 0 2 1 1396 2.48 + 1397 25 -4.065000 -1.139000 43.173000 91 " " H A 2 "HIS " " N " 7 0 0 1 1397 18.82 + 1398 3 -5.334000 -1.667000 42.672000 91 " " H A 2 "HIS " " CA " 6 0 0 1 1398 18.82 + 1399 2 -6.041000 -2.532000 43.727000 91 " " H A 2 "HIS " " C " 6 0 0 1 1399 18.82 + 1400 15 -6.816000 -3.416000 43.362000 91 " " H A 2 "HIS " " O " 8 0 0 1 1400 2.48 + 1401 3 -5.115000 -2.423000 41.340000 91 " " H A 2 "HIS " " CB " 6 0 0 1 1401 2.48 + 1402 2 -4.258000 -3.661000 41.435000 91 " " H A 2 "HIS " " CG " 6 0 0 1 1402 2.48 + 1403 25 -2.955000 -3.652000 41.947000 91 " " H A 2 "HIS " " ND1" 7 0 0 1 1403 2.48 + 1404 2 -4.599000 -4.957000 41.111000 91 " " H A 2 "HIS " " CD2" 6 0 0 1 1404 2.48 + 1405 2 -2.591000 -4.925000 41.967000 91 " " H A 2 "HIS " " CE1" 6 0 0 1 1405 2.48 + 1406 25 -3.521000 -5.741000 41.474000 91 " " H A 2 "HIS " " NE2" 7 0 0 1 1406 2.48 + 1407 43 -3.490000 -1.790000 43.692000 91 " " H A 2 "HIS " " H " 1 0 0 1 1407 18.82 + 1408 41 -6.009000 -0.833000 42.482000 91 " " H A 2 "HIS " " HA " 1 0 0 1 1408 18.82 + 1409 41 -4.706000 -1.760000 40.586000 91 " " H A 2 "HIS " " HB3" 1 0 0 1 1409 2.48 + 1410 41 -6.079000 -2.733000 40.938000 91 " " H A 2 "HIS " " HB2" 1 0 0 1 1410 2.48 + 1411 41 -5.505000 -5.373000 40.694000 91 " " H A 2 "HIS " " HD2" 1 0 0 1 1411 2.48 + 1412 41 -1.638000 -5.266000 42.341000 91 " " H A 2 "HIS " " HE1" 1 0 0 1 1412 2.48 + 1413 43 -3.445000 -6.743000 41.367000 91 " " H A 2 "HIS " " HE2" 1 0 0 1 1413 2.48 + 1414 25 -5.769000 -2.273000 45.017000 92 " " G A 2 "GLY " " N " 7 0 0 1 1414 15.2 + 1415 3 -6.361000 -3.023000 46.123000 92 " " G A 2 "GLY " " CA " 6 0 0 1 1415 15.2 + 1416 2 -7.805000 -2.588000 46.402000 92 " " G A 2 "GLY " " C " 6 0 0 1 1416 15.2 + 1417 15 -8.565000 -3.376000 46.964000 92 " " G A 2 "GLY " " O " 8 0 0 1 1417 5.79 + 1418 43 -5.135000 -1.521000 45.253000 92 " " G A 2 "GLY " " H " 1 0 0 1 1418 15.2 + 1419 41 -5.765000 -2.848000 47.020000 92 " " G A 2 "GLY " " HA3" 1 0 0 1 1419 15.2 + 1420 41 -6.329000 -4.095000 45.923000 92 " " G A 2 "GLY " " HA2" 1 0 0 1 1420 15.2 + 1421 25 -8.172000 -1.350000 46.028000 93 " " E A 2 "GLU " " N " 7 0 0 1 1421 2.48 + 1422 3 -9.441000 -0.704000 46.358000 93 " " E A 2 "GLU " " CA " 6 0 0 1 1422 2.48 + 1423 2 -9.557000 0.636000 45.616000 93 " " E A 2 "GLU " " C " 6 0 0 1 1423 2.48 + 1424 15 -8.547000 1.257000 45.284000 93 " " E A 2 "GLU " " O " 8 0 0 1 1424 22.89 + 1425 3 -9.583000 -0.539000 47.892000 93 " " E A 2 "GLU " " CB " 6 0 0 1 1425 22.89 + 1426 3 -8.401000 0.178000 48.580000 93 " " E A 2 "GLU " " CG " 6 0 0 1 1426 22.89 + 1427 2 -8.524000 0.112000 50.099000 93 " " E A 2 "GLU " " CD " 6 0 0 1 1427 22.89 + 1428 15 -9.150000 1.036000 50.659000 93 " " E A 2 "GLU " " OE1" 8 0 0 1 1428 22.89 + 1429 18 -8.001000 -0.872000 50.669000 93 " " E A 2 "GLU " " OE2" 8 -1 0 1 1429 22.89 + 1430 43 -7.503000 -0.763000 45.550000 93 " " E A 2 "GLU " " H " 1 0 0 1 1430 2.48 + 1431 41 -10.246000 -1.349000 45.999000 93 " " E A 2 "GLU " " HA " 1 0 0 1 1431 2.48 + 1432 41 -9.742000 -1.515000 48.352000 93 " " E A 2 "GLU " " HB3" 1 0 0 1 1432 22.89 + 1433 41 -10.497000 0.018000 48.105000 93 " " E A 2 "GLU " " HB2" 1 0 0 1 1433 22.89 + 1434 41 -8.356000 1.222000 48.268000 93 " " E A 2 "GLU " " HG3" 1 0 0 1 1434 22.89 + 1435 41 -7.446000 -0.268000 48.304000 93 " " E A 2 "GLU " " HG2" 1 0 0 1 1435 22.89 + 1436 25 -10.810000 1.031000 45.357000 94 " " S A 2 "SER " " N " 7 0 0 1 1436 13.63 + 1437 3 -11.200000 2.181000 44.543000 94 " " S A 2 "SER " " CA " 6 0 0 1 1437 13.63 + 1438 2 -10.926000 3.521000 45.268000 94 " " S A 2 "SER " " C " 6 0 0 1 1438 13.63 + 1439 15 -11.241000 3.611000 46.455000 94 " " S A 2 "SER " " O " 8 0 0 1 1439 8.02 + 1440 3 -12.713000 2.042000 44.297000 94 " " S A 2 "SER " " CB " 6 0 0 1 1440 8.02 + 1441 16 -12.989000 0.808000 43.662000 94 " " S A 2 "SER " " OG " 8 0 0 1 1441 8.02 + 1442 43 -11.578000 0.458000 45.675000 94 " " S A 2 "SER " " H " 1 0 0 1 1442 13.63 + 1443 41 -10.668000 2.097000 43.597000 94 " " S A 2 "SER " " HA " 1 0 0 1 1443 13.63 + 1444 41 -13.073000 2.853000 43.663000 94 " " S A 2 "SER " " HB3" 1 0 0 1 1444 8.02 + 1445 41 -13.275000 2.089000 45.231000 94 " " S A 2 "SER " " HB2" 1 0 0 1 1445 8.02 + 1446 42 -13.939000 0.729000 43.546000 94 " " S A 2 "SER " " HG " 1 0 0 1 1446 8.02 + 1447 25 -10.397000 4.551000 44.566000 95 " " P A 2 "PRO " " N " 7 0 0 1 1447 19.26 + 1448 3 -9.933000 4.534000 43.171000 95 " " P A 2 "PRO " " CA " 6 0 0 1 1448 19.26 + 1449 2 -8.513000 3.956000 43.047000 95 " " P A 2 "PRO " " C " 6 0 0 1 1449 19.26 + 1450 15 -7.709000 4.096000 43.971000 95 " " P A 2 "PRO " " O " 8 0 0 1 1450 9.45 + 1451 3 -9.966000 6.020000 42.795000 95 " " P A 2 "PRO " " CB " 6 0 0 1 1451 9.45 + 1452 3 -9.593000 6.750000 44.072000 95 " " P A 2 "PRO " " CG " 6 0 0 1 1452 9.45 + 1453 3 -10.222000 5.881000 45.157000 95 " " P A 2 "PRO " " CD " 6 0 0 1 1453 9.45 + 1454 41 -10.619000 3.986000 42.525000 95 " " P A 2 "PRO " " HA " 1 0 0 1 1454 19.26 + 1455 41 -10.986000 6.281000 42.522000 95 " " P A 2 "PRO " " HB3" 1 0 0 1 1455 9.45 + 1456 41 -9.319000 6.278000 41.955000 95 " " P A 2 "PRO " " HB2" 1 0 0 1 1456 9.45 + 1457 41 -9.931000 7.786000 44.095000 95 " " P A 2 "PRO " " HG3" 1 0 0 1 1457 9.45 + 1458 41 -8.508000 6.753000 44.185000 95 " " P A 2 "PRO " " HG2" 1 0 0 1 1458 9.45 + 1459 41 -9.576000 5.836000 46.032000 95 " " P A 2 "PRO " " HD2" 1 0 0 1 1459 9.45 + 1460 41 -11.195000 6.275000 45.457000 95 " " P A 2 "PRO " " HD3" 1 0 0 1 1460 9.45 + 1461 25 -8.229000 3.331000 41.894000 96 " " Y A 2 "TYR " " N " 7 0 0 1 1461 6.99 + 1462 3 -6.901000 2.804000 41.576000 96 " " Y A 2 "TYR " " CA " 6 0 0 1 1462 6.99 + 1463 2 -5.968000 3.974000 41.248000 96 " " Y A 2 "TYR " " C " 6 0 0 1 1463 6.99 + 1464 15 -6.276000 4.757000 40.352000 96 " " Y A 2 "TYR " " O " 8 0 0 1 1464 2.48 + 1465 3 -6.978000 1.811000 40.400000 96 " " Y A 2 "TYR " " CB " 6 0 0 1 1465 2.48 + 1466 2 -7.731000 0.504000 40.615000 96 " " Y A 2 "TYR " " CG " 6 0 0 1 1466 2.48 + 1467 2 -8.459000 0.225000 41.796000 96 " " Y A 2 "TYR " " CD1" 6 0 0 1 1467 2.48 + 1468 2 -7.672000 -0.473000 39.600000 96 " " Y A 2 "TYR " " CD2" 6 0 0 1 1468 2.48 + 1469 2 -9.118000 -1.007000 41.955000 96 " " Y A 2 "TYR " " CE1" 6 0 0 1 1469 2.48 + 1470 2 -8.319000 -1.712000 39.766000 96 " " Y A 2 "TYR " " CE2" 6 0 0 1 1470 2.48 + 1471 2 -9.045000 -1.978000 40.940000 96 " " Y A 2 "TYR " " CZ " 6 0 0 1 1471 2.48 + 1472 16 -9.668000 -3.180000 41.096000 96 " " Y A 2 "TYR " " OH " 8 0 0 1 1472 2.48 + 1473 43 -8.926000 3.261000 41.166000 96 " " Y A 2 "TYR " " H " 1 0 0 1 1473 6.99 + 1474 41 -6.517000 2.273000 42.449000 96 " " Y A 2 "TYR " " HA " 1 0 0 1 1474 6.99 + 1475 41 -5.962000 1.531000 40.116000 96 " " Y A 2 "TYR " " HB3" 1 0 0 1 1475 2.48 + 1476 41 -7.401000 2.300000 39.525000 96 " " Y A 2 "TYR " " HB2" 1 0 0 1 1476 2.48 + 1477 41 -8.514000 0.930000 42.609000 96 " " Y A 2 "TYR " " HD1" 1 0 0 1 1477 2.48 + 1478 41 -7.113000 -0.281000 38.697000 96 " " Y A 2 "TYR " " HD2" 1 0 0 1 1478 2.48 + 1479 41 -9.664000 -1.208000 42.865000 96 " " Y A 2 "TYR " " HE1" 1 0 0 1 1479 2.48 + 1480 41 -8.248000 -2.466000 38.994000 96 " " Y A 2 "TYR " " HE2" 1 0 0 1 1480 2.48 + 1481 42 -10.085000 -3.283000 41.955000 96 " " Y A 2 "TYR " " HH " 1 0 0 1 1481 2.48 + 1482 25 -4.876000 4.092000 42.014000 97 " " T A 2 "THR " " N " 7 0 2 1 1482 6.82 + 1483 3 -3.999000 5.256000 41.980000 97 " " T A 2 "THR " " CA " 6 0 2 1 1483 6.82 + 1484 2 -2.614000 4.846000 41.469000 97 " " T A 2 "THR " " C " 6 0 2 1 1484 6.82 + 1485 15 -1.938000 4.034000 42.105000 97 " " T A 2 "THR " " O " 8 0 2 1 1485 36.32 + 1486 3 -3.860000 5.881000 43.395000 97 " " T A 2 "THR " " CB " 6 0 2 1 1486 36.32 + 1487 16 -5.129000 6.362000 43.795000 97 " " T A 2 "THR " " OG1" 8 0 2 1 1487 36.32 + 1488 3 -2.867000 7.053000 43.511000 97 " " T A 2 "THR " " CG2" 6 0 2 1 1488 36.32 + 1489 43 -4.662000 3.383000 42.700000 97 " " T A 2 "THR " " H " 1 0 2 1 1489 6.82 + 1490 41 -4.396000 6.029000 41.317000 97 " " T A 2 "THR " " HA " 1 0 2 1 1490 6.82 + 1491 41 -3.570000 5.114000 44.114000 97 " " T A 2 "THR " " HB " 1 0 2 1 1491 36.32 + 1492 42 -5.750000 5.628000 43.796000 97 " " T A 2 "THR " " HG1" 1 0 2 1 1492 36.32 + 1493 41 -2.908000 7.499000 44.505000 97 " " T A 2 "THR " "HG21" 1 0 2 1 1493 36.32 + 1494 41 -1.839000 6.733000 43.353000 97 " " T A 2 "THR " "HG22" 1 0 2 1 1494 36.32 + 1495 41 -3.089000 7.835000 42.786000 97 " " T A 2 "THR " "HG23" 1 0 2 1 1495 36.32 + 1496 25 -2.214000 5.464000 40.346000 98 " " F A 2 "PHE " " N " 7 0 2 1 1496 16.25 + 1497 3 -0.836000 5.474000 39.866000 98 " " F A 2 "PHE " " CA " 6 0 2 1 1497 16.25 + 1498 2 0.017000 6.407000 40.742000 98 " " F A 2 "PHE " " C " 6 0 2 1 1498 16.25 + 1499 15 -0.460000 7.473000 41.135000 98 " " F A 2 "PHE " " O " 8 0 2 1 1499 2.48 + 1500 3 -0.776000 5.945000 38.396000 98 " " F A 2 "PHE " " CB " 6 0 2 1 1500 2.48 + 1501 2 -1.385000 5.014000 37.360000 98 " " F A 2 "PHE " " CG " 6 0 2 1 1501 2.48 + 1502 2 -0.666000 3.888000 36.905000 98 " " F A 2 "PHE " " CD1" 6 0 2 1 1502 2.48 + 1503 2 -2.714000 5.200000 36.922000 98 " " F A 2 "PHE " " CD2" 6 0 2 1 1503 2.48 + 1504 2 -1.247000 3.015000 35.992000 98 " " F A 2 "PHE " " CE1" 6 0 2 1 1504 2.48 + 1505 2 -3.274000 4.320000 36.005000 98 " " F A 2 "PHE " " CE2" 6 0 2 1 1505 2.48 + 1506 2 -2.543000 3.234000 35.541000 98 " " F A 2 "PHE " " CZ " 6 0 2 1 1506 2.48 + 1507 43 -2.845000 6.099000 39.878000 98 " " F A 2 "PHE " " H " 1 0 2 1 1507 16.25 + 1508 41 -0.442000 4.463000 39.923000 98 " " F A 2 "PHE " " HA " 1 0 2 1 1508 16.25 + 1509 41 0.267000 6.098000 38.109000 98 " " F A 2 "PHE " " HB3" 1 0 2 1 1509 2.48 + 1510 41 -1.248000 6.924000 38.305000 98 " " F A 2 "PHE " " HB2" 1 0 2 1 1510 2.48 + 1511 41 0.340000 3.709000 37.255000 98 " " F A 2 "PHE " " HD1" 1 0 2 1 1511 2.48 + 1512 41 -3.293000 6.037000 37.284000 98 " " F A 2 "PHE " " HD2" 1 0 2 1 1512 2.48 + 1513 41 -0.689000 2.162000 35.635000 98 " " F A 2 "PHE " " HE1" 1 0 2 1 1513 2.48 + 1514 41 -4.283000 4.477000 35.655000 98 " " F A 2 "PHE " " HE2" 1 0 2 1 1514 2.48 + 1515 41 -2.988000 2.551000 34.833000 98 " " F A 2 "PHE " " HZ " 1 0 2 1 1515 2.48 + 1516 25 1.281000 6.024000 40.973000 99 " " G A 2 "GLY " " N " 7 0 0 1 1516 9.71 + 1517 3 2.302000 6.900000 41.545000 99 " " G A 2 "GLY " " CA " 6 0 0 1 1517 9.71 + 1518 2 2.720000 7.964000 40.516000 99 " " G A 2 "GLY " " C " 6 0 0 1 1518 9.71 + 1519 15 2.373000 7.881000 39.335000 99 " " G A 2 "GLY " " O " 8 0 0 1 1519 28.16 + 1520 43 1.593000 5.129000 40.615000 99 " " G A 2 "GLY " " H " 1 0 0 1 1520 9.71 + 1521 41 3.166000 6.302000 41.824000 99 " " G A 2 "GLY " " HA3" 1 0 0 1 1521 9.71 + 1522 41 1.933000 7.381000 42.452000 99 " " G A 2 "GLY " " HA2" 1 0 0 1 1522 9.71 + 1523 25 3.484000 8.969000 40.975000 100 " " G A 2 "GLY " " N " 7 0 0 1 1523 19.73 + 1524 3 3.910000 10.123000 40.173000 100 " " G A 2 "GLY " " CA " 6 0 0 1 1524 19.73 + 1525 2 4.881000 9.776000 39.028000 100 " " G A 2 "GLY " " C " 6 0 0 1 1525 19.73 + 1526 15 5.072000 10.599000 38.134000 100 " " G A 2 "GLY " " O " 8 0 0 1 1526 14.03 + 1527 43 3.744000 8.978000 41.950000 100 " " G A 2 "GLY " " H " 1 0 0 1 1527 19.73 + 1528 41 4.399000 10.840000 40.833000 100 " " G A 2 "GLY " " HA3" 1 0 0 1 1528 19.73 + 1529 41 3.032000 10.623000 39.761000 100 " " G A 2 "GLY " " HA2" 1 0 0 1 1529 19.73 + 1530 25 5.472000 8.571000 39.041000 101 " " G A 2 "GLY " " N " 7 0 0 1 1530 44.17 + 1531 3 6.380000 8.070000 38.018000 101 " " G A 2 "GLY " " CA " 6 0 0 1 1531 44.17 + 1532 2 7.833000 8.466000 38.324000 101 " " G A 2 "GLY " " C " 6 0 0 1 1532 44.17 + 1533 15 8.091000 9.462000 39.001000 101 " " G A 2 "GLY " " O " 8 0 0 1 1533 22.55 + 1534 43 5.259000 7.936000 39.798000 101 " " G A 2 "GLY " " H " 1 0 0 1 1534 44.17 + 1535 41 6.103000 8.432000 37.027000 101 " " G A 2 "GLY " " HA3" 1 0 0 1 1535 44.17 + 1536 41 6.261000 6.993000 38.005000 101 " " G A 2 "GLY " " HA2" 1 0 0 1 1536 44.17 + 1537 25 8.783000 7.689000 37.780000 102 " " T A 2 "THR " " N " 7 0 2 1 1537 14.18 + 1538 3 10.215000 8.000000 37.749000 102 " " T A 2 "THR " " CA " 6 0 2 1 1538 14.18 + 1539 2 10.749000 7.748000 36.341000 102 " " T A 2 "THR " " C " 6 0 2 1 1539 14.18 + 1540 15 10.428000 6.704000 35.778000 102 " " T A 2 "THR " " O " 8 0 2 1 1540 7.54 + 1541 3 11.083000 7.174000 38.750000 102 " " T A 2 "THR " " CB " 6 0 2 1 1541 7.54 + 1542 16 11.709000 6.004000 38.255000 102 " " T A 2 "THR " " OG1" 8 0 2 1 1542 7.54 + 1543 3 10.389000 6.837000 40.066000 102 " " T A 2 "THR " " CG2" 6 0 2 1 1543 7.54 + 1544 43 8.505000 6.867000 37.258000 102 " " T A 2 "THR " " H " 1 0 2 1 1544 14.18 + 1545 41 10.354000 9.054000 37.979000 102 " " T A 2 "THR " " HA " 1 0 2 1 1545 14.18 + 1546 41 11.934000 7.811000 38.984000 102 " " T A 2 "THR " " HB " 1 0 2 1 1546 7.54 + 1547 42 11.028000 5.388000 37.978000 102 " " T A 2 "THR " " HG1" 1 0 2 1 1547 7.54 + 1548 41 11.124000 6.600000 40.834000 102 " " T A 2 "THR " "HG21" 1 0 2 1 1548 7.54 + 1549 41 9.787000 7.667000 40.430000 102 " " T A 2 "THR " "HG22" 1 0 2 1 1549 7.54 + 1550 41 9.734000 5.985000 39.934000 102 " " T A 2 "THR " "HG23" 1 0 2 1 1550 7.54 + 1551 25 11.585000 8.661000 35.828000 103 " " K A 2 "LYS " " N " 7 0 2 1 1551 15.5 + 1552 3 12.219000 8.502000 34.525000 103 " " K A 2 "LYS " " CA " 6 0 2 1 1552 15.5 + 1553 2 13.708000 8.181000 34.711000 103 " " K A 2 "LYS " " C " 6 0 2 1 1553 15.5 + 1554 15 14.475000 9.043000 35.143000 103 " " K A 2 "LYS " " O " 8 0 2 1 1554 39.52 + 1555 3 11.965000 9.760000 33.675000 103 " " K A 2 "LYS " " CB " 6 0 2 1 1555 39.52 + 1556 3 12.289000 9.543000 32.187000 103 " " K A 2 "LYS " " CG " 6 0 2 1 1556 39.52 + 1557 3 11.760000 10.671000 31.290000 103 " " K A 2 "LYS " " CD " 6 0 2 1 1557 39.52 + 1558 3 11.866000 10.312000 29.802000 103 " " K A 2 "LYS " " CE " 6 0 2 1 1558 39.52 + 1559 32 11.337000 11.379000 28.936000 103 " " K A 2 "LYS " " NZ " 7 1 2 1 1559 39.52 + 1560 43 11.812000 9.496000 36.350000 103 " " K A 2 "LYS " " H " 1 0 2 1 1560 15.5 + 1561 41 11.770000 7.669000 33.985000 103 " " K A 2 "LYS " " HA " 1 0 2 1 1561 15.5 + 1562 41 12.500000 10.625000 34.069000 103 " " K A 2 "LYS " " HB3" 1 0 2 1 1562 39.52 + 1563 41 10.903000 10.002000 33.747000 103 " " K A 2 "LYS " " HB2" 1 0 2 1 1563 39.52 + 1564 41 11.852000 8.597000 31.860000 103 " " K A 2 "LYS " " HG3" 1 0 2 1 1564 39.52 + 1565 41 13.366000 9.440000 32.051000 103 " " K A 2 "LYS " " HG2" 1 0 2 1 1565 39.52 + 1566 41 12.322000 11.585000 31.491000 103 " " K A 2 "LYS " " HD3" 1 0 2 1 1566 39.52 + 1567 41 10.721000 10.886000 31.541000 103 " " K A 2 "LYS " " HD2" 1 0 2 1 1567 39.52 + 1568 41 11.312000 9.396000 29.592000 103 " " K A 2 "LYS " " HE3" 1 0 2 1 1568 39.52 + 1569 41 12.906000 10.125000 29.531000 103 " " K A 2 "LYS " " HE2" 1 0 2 1 1569 39.52 + 1570 44 11.852000 12.233000 29.088000 103 " " K A 2 "LYS " " HZ1" 1 0 2 1 1570 39.52 + 1571 44 11.452000 11.085000 27.971000 103 " " K A 2 "LYS " " HZ2" 1 0 2 1 1571 39.52 + 1572 44 10.358000 11.528000 29.129000 103 " " K A 2 "LYS " " HZ3" 1 0 2 1 1572 39.52 + 1573 25 14.073000 6.937000 34.365000 104 " " L A 2 "LEU " " N " 7 0 2 1 1573 2.48 + 1574 3 15.452000 6.455000 34.308000 104 " " L A 2 "LEU " " CA " 6 0 2 1 1574 2.48 + 1575 2 16.124000 6.981000 33.034000 104 " " L A 2 "LEU " " C " 6 0 2 1 1575 2.48 + 1576 15 15.569000 6.810000 31.949000 104 " " L A 2 "LEU " " O " 8 0 2 1 1576 10.53 + 1577 3 15.454000 4.908000 34.318000 104 " " L A 2 "LEU " " CB " 6 0 2 1 1577 10.53 + 1578 3 16.054000 4.279000 35.589000 104 " " L A 2 "LEU " " CG " 6 0 2 1 1578 10.53 + 1579 3 15.709000 2.776000 35.649000 104 " " L A 2 "LEU " " CD1" 6 0 2 1 1579 10.53 + 1580 3 17.573000 4.539000 35.700000 104 " " L A 2 "LEU " " CD2" 6 0 2 1 1580 10.53 + 1581 43 13.372000 6.300000 34.012000 104 " " L A 2 "LEU " " H " 1 0 2 1 1581 2.48 + 1582 41 15.983000 6.826000 35.185000 104 " " L A 2 "LEU " " HA " 1 0 2 1 1582 2.48 + 1583 41 15.971000 4.495000 33.448000 104 " " L A 2 "LEU " " HB3" 1 0 2 1 1583 10.53 + 1584 41 14.426000 4.568000 34.213000 104 " " L A 2 "LEU " " HB2" 1 0 2 1 1584 10.53 + 1585 41 15.577000 4.746000 36.453000 104 " " L A 2 "LEU " " HG " 1 0 2 1 1585 10.53 + 1586 41 16.569000 2.148000 35.857000 104 " " L A 2 "LEU " "HD11" 1 0 2 1 1586 10.53 + 1587 41 14.971000 2.581000 36.428000 104 " " L A 2 "LEU " "HD12" 1 0 2 1 1587 10.53 + 1588 41 15.296000 2.410000 34.710000 104 " " L A 2 "LEU " "HD13" 1 0 2 1 1588 10.53 + 1589 41 18.129000 3.654000 36.003000 104 " " L A 2 "LEU " "HD21" 1 0 2 1 1589 10.53 + 1590 41 18.000000 4.883000 34.757000 104 " " L A 2 "LEU " "HD22" 1 0 2 1 1590 10.53 + 1591 41 17.785000 5.305000 36.444000 104 " " L A 2 "LEU " "HD23" 1 0 2 1 1591 10.53 + 1592 25 17.316000 7.567000 33.205000 105 " " E A 2 "GLU " " N " 7 0 2 1 1592 11.57 + 1593 3 18.226000 7.972000 32.136000 105 " " E A 2 "GLU " " CA " 6 0 2 1 1593 11.57 + 1594 2 19.527000 7.191000 32.369000 105 " " E A 2 "GLU " " C " 6 0 2 1 1594 11.57 + 1595 15 19.994000 7.119000 33.506000 105 " " E A 2 "GLU " " O " 8 0 2 1 1595 60.64 + 1596 3 18.394000 9.507000 32.189000 105 " " E A 2 "GLU " " CB " 6 0 2 1 1596 60.64 + 1597 3 18.975000 10.178000 30.920000 105 " " E A 2 "GLU " " CG " 6 0 2 1 1597 60.64 + 1598 2 20.497000 10.379000 30.854000 105 " " E A 2 "GLU " " CD " 6 0 2 1 1598 60.64 + 1599 15 21.246000 9.551000 31.410000 105 " " E A 2 "GLU " " OE1" 8 0 2 1 1599 60.64 + 1600 18 20.902000 11.371000 30.210000 105 " " E A 2 "GLU " " OE2" 8 -1 2 1 1600 60.64 + 1601 43 17.680000 7.675000 34.143000 105 " " E A 2 "GLU " " H " 1 0 2 1 1601 11.57 + 1602 41 17.812000 7.713000 31.165000 105 " " E A 2 "GLU " " HA " 1 0 2 1 1602 11.57 + 1603 41 18.995000 9.767000 33.059000 105 " " E A 2 "GLU " " HB3" 1 0 2 1 1603 60.64 + 1604 41 17.419000 9.957000 32.382000 105 " " E A 2 "GLU " " HB2" 1 0 2 1 1604 60.64 + 1605 41 18.526000 11.169000 30.836000 105 " " E A 2 "GLU " " HG3" 1 0 2 1 1605 60.64 + 1606 41 18.652000 9.636000 30.031000 105 " " E A 2 "GLU " " HG2" 1 0 2 1 1606 60.64 + 1607 25 20.078000 6.592000 31.304000 106 " " I A 2 "ILE " " N " 7 0 2 1 1607 2.48 + 1608 3 21.269000 5.749000 31.404000 106 " " I A 2 "ILE " " CA " 6 0 2 1 1608 2.48 + 1609 2 22.546000 6.578000 31.163000 106 " " I A 2 "ILE " " C " 6 0 2 1 1609 2.48 + 1610 15 22.772000 7.023000 30.038000 106 " " I A 2 "ILE " " O " 8 0 2 1 1610 2.48 + 1611 3 21.233000 4.569000 30.392000 106 " " I A 2 "ILE " " CB " 6 0 2 1 1611 2.48 + 1612 3 19.918000 3.761000 30.481000 106 " " I A 2 "ILE " " CG1" 6 0 2 1 1612 2.48 + 1613 3 22.461000 3.641000 30.483000 106 " " I A 2 "ILE " " CG2" 6 0 2 1 1613 2.48 + 1614 3 19.589000 3.191000 31.863000 106 " " I A 2 "ILE " " CD1" 6 0 2 1 1614 2.48 + 1615 43 19.662000 6.687000 30.389000 106 " " I A 2 "ILE " " H " 1 0 2 1 1615 2.48 + 1616 41 21.308000 5.305000 32.393000 106 " " I A 2 "ILE " " HA " 1 0 2 1 1616 2.48 + 1617 41 21.260000 4.985000 29.389000 106 " " I A 2 "ILE " " HB " 1 0 2 1 1617 2.48 + 1618 41 19.917000 2.959000 29.742000 106 " " I A 2 "ILE " "HG13" 1 0 2 1 1618 2.48 + 1619 41 19.097000 4.416000 30.204000 106 " " I A 2 "ILE " "HG12" 1 0 2 1 1619 2.48 + 1620 41 22.353000 2.811000 29.787000 106 " " I A 2 "ILE " "HG21" 1 0 2 1 1620 2.48 + 1621 41 23.385000 4.151000 30.212000 106 " " I A 2 "ILE " "HG22" 1 0 2 1 1621 2.48 + 1622 41 22.592000 3.229000 31.483000 106 " " I A 2 "ILE " "HG23" 1 0 2 1 1622 2.48 + 1623 41 18.898000 2.352000 31.784000 106 " " I A 2 "ILE " "HD11" 1 0 2 1 1623 2.48 + 1624 41 20.491000 2.837000 32.350000 106 " " I A 2 "ILE " "HD12" 1 0 2 1 1624 2.48 + 1625 41 19.129000 3.941000 32.507000 106 " " I A 2 "ILE " "HD13" 1 0 2 1 1625 2.48 + 1626 25 23.385000 6.736000 32.203000 107 " " N A 2 "ASN " " N " 7 0 2 1 1626 11.39 + 1627 3 24.743000 7.279000 32.064000 107 " " N A 2 "ASN " " CA " 6 0 2 1 1627 11.39 + 1628 2 25.624000 6.323000 31.253000 107 " " N A 2 "ASN " " C " 6 0 2 1 1628 11.39 + 1629 15 25.627000 5.115000 31.485000 107 " " N A 2 "ASN " " O " 8 0 2 1 1629 82.18 + 1630 3 25.365000 7.590000 33.448000 107 " " N A 2 "ASN " " CB " 6 0 2 1 1630 82.18 + 1631 2 25.302000 9.074000 33.814000 107 " " N A 2 "ASN " " CG " 6 0 2 1 1631 82.18 + 1632 15 25.774000 9.919000 33.056000 107 " " N A 2 "ASN " " OD1" 8 0 2 1 1632 82.18 + 1633 25 24.776000 9.396000 34.996000 107 " " N A 2 "ASN " " ND2" 7 0 2 1 1633 82.18 + 1634 43 23.144000 6.334000 33.100000 107 " " N A 2 "ASN " " H " 1 0 2 1 1634 11.39 + 1635 41 24.606000 8.205000 31.511000 107 " " N A 2 "ASN " " HA " 1 0 2 1 1635 11.39 + 1636 41 26.431000 7.358000 33.439000 107 " " N A 2 "ASN " " HB3" 1 0 2 1 1636 82.18 + 1637 41 24.939000 6.967000 34.232000 107 " " N A 2 "ASN " " HB2" 1 0 2 1 1637 82.18 + 1638 43 24.738000 10.363000 35.283000 107 " " N A 2 "ASN " "HD22" 1 0 2 1 1638 82.18 + 1639 43 24.417000 8.680000 35.611000 107 " " N A 2 "ASN " "HD21" 1 0 2 1 1639 82.18 + 1640 25 26.352000 6.902000 30.295000 108 " " R A 2 "ARG " " N " 7 0 0 1 1640 55.92 + 1641 3 27.170000 6.160000 29.345000 108 " " R A 2 "ARG " " CA " 6 0 0 1 1641 55.92 + 1642 2 28.247000 7.089000 28.760000 108 " " R A 2 "ARG " " C " 6 0 0 1 1642 55.92 + 1643 15 28.096000 8.309000 28.804000 108 " " R A 2 "ARG " " O " 8 0 0 1 1643 23.42 + 1644 3 26.229000 5.400000 28.355000 108 " " R A 2 "ARG " " CB " 6 0 0 1 1644 23.42 + 1645 3 26.584000 5.430000 26.863000 108 " " R A 2 "ARG " " CG " 6 0 0 1 1645 23.42 + 1646 3 25.967000 6.631000 26.131000 108 " " R A 2 "ARG " " CD " 6 0 0 1 1646 23.42 + 1647 25 26.708000 6.992000 24.919000 108 " " R A 2 "ARG " " NE " 7 0 0 1 1647 23.42 + 1648 2 27.222000 6.189000 23.970000 108 " " R A 2 "ARG " " CZ " 6 0 0 1 1648 23.42 + 1649 25 26.964000 4.880000 23.899000 108 " " R A 2 "ARG " " NH1" 7 0 0 1 1649 23.42 + 1650 31 28.040000 6.717000 23.059000 108 " " R A 2 "ARG " " NH2" 7 1 0 1 1650 23.42 + 1651 43 26.320000 7.904000 30.163000 108 " " R A 2 "ARG " " H " 1 0 0 1 1651 55.92 + 1652 41 27.720000 5.409000 29.917000 108 " " R A 2 "ARG " " HA " 1 0 0 1 1652 55.92 + 1653 41 25.193000 5.728000 28.461000 108 " " R A 2 "ARG " " HB3" 1 0 0 1 1653 23.42 + 1654 41 26.213000 4.359000 28.678000 108 " " R A 2 "ARG " " HB2" 1 0 0 1 1654 23.42 + 1655 41 26.087000 4.551000 26.450000 108 " " R A 2 "ARG " " HG3" 1 0 0 1 1655 23.42 + 1656 41 27.642000 5.275000 26.655000 108 " " R A 2 "ARG " " HG2" 1 0 0 1 1656 23.42 + 1657 41 25.803000 7.487000 26.785000 108 " " R A 2 "ARG " " HD3" 1 0 0 1 1657 23.42 + 1658 41 24.989000 6.329000 25.763000 108 " " R A 2 "ARG " " HD2" 1 0 0 1 1658 23.42 + 1659 43 26.976000 7.964000 24.883000 108 " " R A 2 "ARG " " HE " 1 0 0 1 1659 23.42 + 1660 43 27.381000 4.308000 23.180000 108 " " R A 2 "ARG " "HH12" 1 0 0 1 1660 23.42 + 1661 43 26.259000 4.475000 24.502000 108 " " R A 2 "ARG " "HH11" 1 0 0 1 1661 23.42 + 1662 44 28.439000 6.141000 22.332000 108 " " R A 2 "ARG " "HH22" 1 0 0 1 1662 23.42 + 1663 44 28.306000 7.689000 23.121000 108 " " R A 2 "ARG " "HH21" 1 0 0 1 1663 23.42 + 1664 25 29.337000 6.484000 28.258000 109 " " A A 2 "ALA " " N " 7 0 0 1 1664 9.91 + 1665 3 30.500000 7.155000 27.665000 109 " " A A 2 "ALA " " CA " 6 0 0 1 1665 9.91 + 1666 2 30.130000 8.108000 26.517000 109 " " A A 2 "ALA " " C " 6 0 0 1 1666 9.91 + 1667 15 29.310000 7.738000 25.682000 109 " " A A 2 "ALA " " O " 8 0 0 1 1667 2.48 + 1668 3 31.468000 6.074000 27.159000 109 " " A A 2 "ALA " " CB " 6 0 0 1 1668 2.48 + 1669 43 29.381000 5.476000 28.269000 109 " " A A 2 "ALA " " H " 1 0 0 1 1669 9.91 + 1670 41 30.991000 7.727000 28.455000 109 " " A A 2 "ALA " " HA " 1 0 0 1 1670 9.91 + 1671 41 32.360000 6.519000 26.718000 109 " " A A 2 "ALA " " HB1" 1 0 0 1 1671 2.48 + 1672 41 31.795000 5.429000 27.974000 109 " " A A 2 "ALA " " HB2" 1 0 0 1 1672 2.48 + 1673 41 31.003000 5.442000 26.400000 109 " " A A 2 "ALA " " HB3" 1 0 0 1 1673 2.48 + 1674 25 30.741000 9.305000 26.490000 110 " " D A 2 "ASP " " N " 7 0 0 1 1674 7.75 + 1675 3 30.452000 10.373000 25.519000 110 " " D A 2 "ASP " " CA " 6 0 0 1 1675 7.75 + 1676 2 30.590000 9.947000 24.044000 110 " " D A 2 "ASP " " C " 6 0 0 1 1676 7.75 + 1677 15 31.387000 9.064000 23.723000 110 " " D A 2 "ASP " " O " 8 0 0 1 1677 58.15 + 1678 3 31.264000 11.672000 25.755000 110 " " D A 2 "ASP " " CB " 6 0 0 1 1678 58.15 + 1679 2 31.157000 12.315000 27.142000 110 " " D A 2 "ASP " " CG " 6 0 0 1 1679 58.15 + 1680 15 30.404000 11.794000 27.995000 110 " " D A 2 "ASP " " OD1" 8 0 0 1 1680 58.15 + 1681 18 31.813000 13.366000 27.309000 110 " " D A 2 "ASP " " OD2" 8 -1 0 1 1681 58.15 + 1682 43 31.388000 9.550000 27.225000 110 " " D A 2 "ASP " " H " 1 0 0 1 1682 7.75 + 1683 41 29.401000 10.620000 25.675000 110 " " D A 2 "ASP " " HA " 1 0 0 1 1683 7.75 + 1684 41 30.921000 12.421000 25.043000 110 " " D A 2 "ASP " " HB3" 1 0 0 1 1684 58.15 + 1685 41 32.318000 11.471000 25.557000 110 " " D A 2 "ASP " " HB2" 1 0 0 1 1685 58.15 + 1686 25 29.806000 10.608000 23.178000 111 " " A A 2 "ALA " " N " 7 0 0 1 1686 52.87 + 1687 3 29.811000 10.403000 21.732000 111 " " A A 2 "ALA " " CA " 6 0 0 1 1687 52.87 + 1688 2 29.545000 11.715000 20.999000 111 " " A A 2 "ALA " " C " 6 0 0 1 1688 52.87 + 1689 15 28.713000 12.510000 21.435000 111 " " A A 2 "ALA " " O " 8 0 0 1 1689 12.25 + 1690 3 28.774000 9.347000 21.330000 111 " " A A 2 "ALA " " CB " 6 0 0 1 1690 12.25 + 1691 43 29.200000 11.345000 23.517000 111 " " A A 2 "ALA " " H " 1 0 0 1 1691 52.87 + 1692 41 30.798000 10.054000 21.421000 111 " " A A 2 "ALA " " HA " 1 0 0 1 1692 52.87 + 1693 41 28.516000 9.415000 20.272000 111 " " A A 2 "ALA " " HB1" 1 0 0 1 1693 12.25 + 1694 41 29.187000 8.353000 21.480000 111 " " A A 2 "ALA " " HB2" 1 0 0 1 1694 12.25 + 1695 41 27.847000 9.441000 21.899000 111 " " A A 2 "ALA " " HB3" 1 0 0 1 1695 12.25 + 1696 25 30.267000 11.898000 19.885000 112 " " A A 2 "ALA " " N " 7 0 0 1 1696 27.47 + 1697 3 30.136000 13.047000 19.000000 112 " " A A 2 "ALA " " CA " 6 0 0 1 1697 27.47 + 1698 2 28.954000 12.844000 18.035000 112 " " A A 2 "ALA " " C " 6 0 0 1 1698 27.47 + 1699 15 28.789000 11.729000 17.534000 112 " " A A 2 "ALA " " O " 8 0 0 1 1699 5.93 + 1700 3 31.447000 13.184000 18.210000 112 " " A A 2 "ALA " " CB " 6 0 0 1 1700 5.93 + 1701 43 30.919000 11.186000 19.591000 112 " " A A 2 "ALA " " H " 1 0 0 1 1701 27.47 + 1702 41 29.998000 13.924000 19.628000 112 " " A A 2 "ALA " " HA " 1 0 0 1 1702 27.47 + 1703 41 31.422000 14.062000 17.563000 112 " " A A 2 "ALA " " HB1" 1 0 0 1 1703 5.93 + 1704 41 32.301000 13.297000 18.878000 112 " " A A 2 "ALA " " HB2" 1 0 0 1 1704 5.93 + 1705 41 31.632000 12.313000 17.579000 112 " " A A 2 "ALA " " HB3" 1 0 0 1 1705 5.93 + 1706 25 28.166000 13.913000 17.768000 113 " " P A 2 "PRO " " N " 7 0 0 1 1706 19.31 + 1707 3 27.096000 13.861000 16.760000 113 " " P A 2 "PRO " " CA " 6 0 0 1 1707 19.31 + 1708 2 27.661000 13.665000 15.349000 113 " " P A 2 "PRO " " C " 6 0 0 1 1708 19.31 + 1709 15 28.564000 14.401000 14.946000 113 " " P A 2 "PRO " " O " 8 0 0 1 1709 8 + 1710 3 26.395000 15.226000 16.883000 113 " " P A 2 "PRO " " CB " 6 0 0 1 1710 8 + 1711 3 27.477000 16.159000 17.399000 113 " " P A 2 "PRO " " CG " 6 0 0 1 1711 8 + 1712 3 28.293000 15.264000 18.322000 113 " " P A 2 "PRO " " CD " 6 0 0 1 1712 8 + 1713 41 26.396000 13.056000 16.987000 113 " " P A 2 "PRO " " HA " 1 0 0 1 1713 19.31 + 1714 41 25.581000 15.171000 17.604000 113 " " P A 2 "PRO " " HB3" 1 0 0 1 1714 8 + 1715 41 25.962000 15.580000 15.946000 113 " " P A 2 "PRO " " HB2" 1 0 0 1 1715 8 + 1716 41 27.090000 17.047000 17.892000 113 " " P A 2 "PRO " " HG3" 1 0 0 1 1716 8 + 1717 41 28.099000 16.491000 16.567000 113 " " P A 2 "PRO " " HG2" 1 0 0 1 1717 8 + 1718 41 29.322000 15.620000 18.384000 113 " " P A 2 "PRO " " HD2" 1 0 0 1 1718 8 + 1719 41 27.857000 15.264000 19.318000 113 " " P A 2 "PRO " " HD3" 1 0 0 1 1719 8 + 1720 25 27.093000 12.695000 14.624000 114 " " T A 2 "THR " " N " 7 0 2 1 1720 2.48 + 1721 3 27.277000 12.585000 13.184000 114 " " T A 2 "THR " " CA " 6 0 2 1 1721 2.48 + 1722 2 26.231000 13.516000 12.532000 114 " " T A 2 "THR " " C " 6 0 2 1 1722 2.48 + 1723 15 25.029000 13.247000 12.594000 114 " " T A 2 "THR " " O " 8 0 2 1 1723 4.97 + 1724 3 27.200000 11.109000 12.686000 114 " " T A 2 "THR " " CB " 6 0 2 1 1724 4.97 + 1725 16 25.904000 10.592000 12.457000 114 " " T A 2 "THR " " OG1" 8 0 2 1 1725 4.97 + 1726 3 27.999000 10.122000 13.552000 114 " " T A 2 "THR " " CG2" 6 0 2 1 1726 4.97 + 1727 43 26.365000 12.122000 15.031000 114 " " T A 2 "THR " " H " 1 0 2 1 1727 2.48 + 1728 41 28.273000 12.943000 12.918000 114 " " T A 2 "THR " " HA " 1 0 2 1 1728 2.48 + 1729 41 27.675000 11.095000 11.708000 114 " " T A 2 "THR " " HB " 1 0 2 1 1729 4.97 + 1730 42 25.437000 10.559000 13.295000 114 " " T A 2 "THR " " HG1" 1 0 2 1 1730 4.97 + 1731 41 28.019000 9.130000 13.098000 114 " " T A 2 "THR " "HG21" 1 0 2 1 1731 4.97 + 1732 41 29.032000 10.450000 13.667000 114 " " T A 2 "THR " "HG22" 1 0 2 1 1732 4.97 + 1733 41 27.569000 10.018000 14.549000 114 " " T A 2 "THR " "HG23" 1 0 2 1 1733 4.97 + 1734 25 26.714000 14.663000 12.025000 115 " " V A 2 "VAL " " N " 7 0 2 1 1734 7.29 + 1735 3 25.866000 15.741000 11.519000 115 " " V A 2 "VAL " " CA " 6 0 2 1 1735 7.29 + 1736 2 25.628000 15.595000 10.008000 115 " " V A 2 "VAL " " C " 6 0 2 1 1736 7.29 + 1737 15 26.573000 15.369000 9.259000 115 " " V A 2 "VAL " " O " 8 0 2 1 1737 27.44 + 1738 3 26.462000 17.147000 11.811000 115 " " V A 2 "VAL " " CB " 6 0 2 1 1738 27.44 + 1739 3 25.640000 18.314000 11.221000 115 " " V A 2 "VAL " " CG1" 6 0 2 1 1739 27.44 + 1740 3 26.600000 17.360000 13.330000 115 " " V A 2 "VAL " " CG2" 6 0 2 1 1740 27.44 + 1741 43 27.707000 14.842000 12.037000 115 " " V A 2 "VAL " " H " 1 0 2 1 1741 7.29 + 1742 41 24.916000 15.688000 12.040000 115 " " V A 2 "VAL " " HA " 1 0 2 1 1742 7.29 + 1743 41 27.464000 17.204000 11.381000 115 " " V A 2 "VAL " " HB " 1 0 2 1 1743 27.44 + 1744 41 26.046000 19.279000 11.526000 115 " " V A 2 "VAL " "HG11" 1 0 2 1 1744 27.44 + 1745 41 25.625000 18.310000 10.132000 115 " " V A 2 "VAL " "HG12" 1 0 2 1 1745 27.44 + 1746 41 24.606000 18.270000 11.564000 115 " " V A 2 "VAL " "HG13" 1 0 2 1 1746 27.44 + 1747 41 26.948000 18.365000 13.568000 115 " " V A 2 "VAL " "HG21" 1 0 2 1 1747 27.44 + 1748 41 25.646000 17.219000 13.835000 115 " " V A 2 "VAL " "HG22" 1 0 2 1 1748 27.44 + 1749 41 27.302000 16.653000 13.771000 115 " " V A 2 "VAL " "HG23" 1 0 2 1 1749 27.44 + 1750 25 24.373000 15.771000 9.586000 116 " " S A 2 "SER " " N " 7 0 2 1 1750 2.48 + 1751 3 23.965000 15.756000 8.184000 116 " " S A 2 "SER " " CA " 6 0 2 1 1751 2.48 + 1752 2 23.167000 17.032000 7.908000 116 " " S A 2 "SER " " C " 6 0 2 1 1752 2.48 + 1753 15 22.442000 17.478000 8.793000 116 " " S A 2 "SER " " O " 8 0 2 1 1753 17.76 + 1754 3 23.111000 14.501000 7.936000 116 " " S A 2 "SER " " CB " 6 0 2 1 1754 17.76 + 1755 16 23.897000 13.338000 8.081000 116 " " S A 2 "SER " " OG " 8 0 2 1 1755 17.76 + 1756 43 23.644000 15.979000 10.258000 116 " " S A 2 "SER " " H " 1 0 2 1 1756 2.48 + 1757 41 24.827000 15.744000 7.515000 116 " " S A 2 "SER " " HA " 1 0 2 1 1757 2.48 + 1758 41 22.715000 14.505000 6.920000 116 " " S A 2 "SER " " HB3" 1 0 2 1 1758 17.76 + 1759 41 22.266000 14.448000 8.621000 116 " " S A 2 "SER " " HB2" 1 0 2 1 1759 17.76 + 1760 42 24.094000 13.220000 9.014000 116 " " S A 2 "SER " " HG " 1 0 2 1 1760 17.76 + 1761 25 23.304000 17.584000 6.692000 117 " " I A 2 "ILE " " N " 7 0 2 1 1761 25.66 + 1762 3 22.586000 18.778000 6.248000 117 " " I A 2 "ILE " " CA " 6 0 2 1 1762 25.66 + 1763 2 21.904000 18.497000 4.897000 117 " " I A 2 "ILE " " C " 6 0 2 1 1763 25.66 + 1764 15 22.485000 17.841000 4.031000 117 " " I A 2 "ILE " " O " 8 0 2 1 1764 26.26 + 1765 3 23.516000 20.025000 6.148000 117 " " I A 2 "ILE " " CB " 6 0 2 1 1765 26.26 + 1766 3 22.711000 21.324000 5.893000 117 " " I A 2 "ILE " " CG1" 6 0 2 1 1766 26.26 + 1767 3 24.671000 19.869000 5.134000 117 " " I A 2 "ILE " " CG2" 6 0 2 1 1767 26.26 + 1768 3 23.475000 22.618000 6.201000 117 " " I A 2 "ILE " " CD1" 6 0 2 1 1768 26.26 + 1769 43 23.898000 17.150000 6.001000 117 " " I A 2 "ILE " " H " 1 0 2 1 1769 25.66 + 1770 41 21.801000 19.008000 6.968000 117 " " I A 2 "ILE " " HA " 1 0 2 1 1770 25.66 + 1771 41 23.977000 20.132000 7.131000 117 " " I A 2 "ILE " " HB " 1 0 2 1 1771 26.26 + 1772 41 21.814000 21.318000 6.514000 117 " " I A 2 "ILE " "HG13" 1 0 2 1 1772 26.26 + 1773 41 22.353000 21.350000 4.864000 117 " " I A 2 "ILE " "HG12" 1 0 2 1 1773 26.26 + 1774 41 25.402000 20.670000 5.242000 117 " " I A 2 "ILE " "HG21" 1 0 2 1 1774 26.26 + 1775 41 25.211000 18.934000 5.284000 117 " " I A 2 "ILE " "HG22" 1 0 2 1 1775 26.26 + 1776 41 24.318000 19.891000 4.104000 117 " " I A 2 "ILE " "HG23" 1 0 2 1 1776 26.26 + 1777 41 22.882000 23.489000 5.922000 117 " " I A 2 "ILE " "HD11" 1 0 2 1 1777 26.26 + 1778 41 23.697000 22.700000 7.265000 117 " " I A 2 "ILE " "HD12" 1 0 2 1 1778 26.26 + 1779 41 24.413000 22.682000 5.652000 117 " " I A 2 "ILE " "HD13" 1 0 2 1 1779 26.26 + 1780 25 20.661000 18.982000 4.779000 118 " " F A 2 "PHE " " N " 7 0 2 1 1780 14.87 + 1781 3 19.756000 18.736000 3.662000 118 " " F A 2 "PHE " " CA " 6 0 2 1 1781 14.87 + 1782 2 19.256000 20.102000 3.175000 118 " " F A 2 "PHE " " C " 6 0 2 1 1782 14.87 + 1783 15 18.580000 20.786000 3.948000 118 " " F A 2 "PHE " " O " 8 0 2 1 1783 2.48 + 1784 3 18.575000 17.875000 4.159000 118 " " F A 2 "PHE " " CB " 6 0 2 1 1784 2.48 + 1785 2 18.994000 16.496000 4.626000 118 " " F A 2 "PHE " " CG " 6 0 2 1 1785 2.48 + 1786 2 19.459000 16.318000 5.943000 118 " " F A 2 "PHE " " CD1" 6 0 2 1 1786 2.48 + 1787 2 19.134000 15.439000 3.701000 118 " " F A 2 "PHE " " CD2" 6 0 2 1 1787 2.48 + 1788 2 20.023000 15.112000 6.318000 118 " " F A 2 "PHE " " CE1" 6 0 2 1 1788 2.48 + 1789 2 19.658000 14.221000 4.112000 118 " " F A 2 "PHE " " CE2" 6 0 2 1 1789 2.48 + 1790 2 20.104000 14.062000 5.417000 118 " " F A 2 "PHE " " CZ " 6 0 2 1 1790 2.48 + 1791 43 20.259000 19.494000 5.554000 118 " " F A 2 "PHE " " H " 1 0 2 1 1791 14.87 + 1792 41 20.250000 18.169000 2.874000 118 " " F A 2 "PHE " " HA " 1 0 2 1 1792 14.87 + 1793 41 17.843000 17.756000 3.358000 118 " " F A 2 "PHE " " HB3" 1 0 2 1 1793 2.48 + 1794 41 18.053000 18.375000 4.975000 118 " " F A 2 "PHE " " HB2" 1 0 2 1 1794 2.48 + 1795 41 19.418000 17.130000 6.654000 118 " " F A 2 "PHE " " HD1" 1 0 2 1 1795 2.48 + 1796 41 18.833000 15.575000 2.673000 118 " " F A 2 "PHE " " HD2" 1 0 2 1 1796 2.48 + 1797 41 20.416000 15.008000 7.315000 118 " " F A 2 "PHE " " HE1" 1 0 2 1 1797 2.48 + 1798 41 19.745000 13.405000 3.409000 118 " " F A 2 "PHE " " HE2" 1 0 2 1 1798 2.48 + 1799 41 20.543000 13.128000 5.728000 118 " " F A 2 "PHE " " HZ " 1 0 2 1 1799 2.48 + 1800 25 19.572000 20.481000 1.914000 119 " " P A 2 "PRO " " N " 7 0 0 1 1800 11.54 + 1801 3 18.931000 21.636000 1.257000 119 " " P A 2 "PRO " " CA " 6 0 0 1 1801 11.54 + 1802 2 17.401000 21.465000 1.118000 119 " " P A 2 "PRO " " C " 6 0 0 1 1802 11.54 + 1803 15 16.932000 20.324000 1.099000 119 " " P A 2 "PRO " " O " 8 0 0 1 1803 28.91 + 1804 3 19.603000 21.687000 -0.130000 119 " " P A 2 "PRO " " CB " 6 0 0 1 1804 28.91 + 1805 3 20.890000 20.893000 0.010000 119 " " P A 2 "PRO " " CG " 6 0 0 1 1805 28.91 + 1806 3 20.534000 19.827000 1.029000 119 " " P A 2 "PRO " " CD " 6 0 0 1 1806 28.91 + 1807 41 19.201000 22.507000 1.850000 119 " " P A 2 "PRO " " HA " 1 0 0 1 1807 11.54 + 1808 41 19.781000 22.706000 -0.473000 119 " " P A 2 "PRO " " HB3" 1 0 0 1 1808 28.91 + 1809 41 18.976000 21.204000 -0.883000 119 " " P A 2 "PRO " " HB2" 1 0 0 1 1809 28.91 + 1810 41 21.666000 21.526000 0.429000 119 " " P A 2 "PRO " " HG3" 1 0 0 1 1810 28.91 + 1811 41 21.260000 20.489000 -0.932000 119 " " P A 2 "PRO " " HG2" 1 0 0 1 1811 28.91 + 1812 41 20.053000 18.974000 0.548000 119 " " P A 2 "PRO " " HD2" 1 0 0 1 1812 28.91 + 1813 41 21.432000 19.484000 1.545000 119 " " P A 2 "PRO " " HD3" 1 0 0 1 1813 28.91 + 1814 25 16.647000 22.580000 0.976000 120 " " P A 2 "PRO " " N " 7 0 0 1 1814 11.29 + 1815 3 15.202000 22.533000 0.716000 120 " " P A 2 "PRO " " CA " 6 0 0 1 1815 11.29 + 1816 2 14.920000 21.874000 -0.635000 120 " " P A 2 "PRO " " C " 6 0 0 1 1816 11.29 + 1817 15 15.415000 22.354000 -1.658000 120 " " P A 2 "PRO " " O " 8 0 0 1 1817 28.3 + 1818 3 14.752000 24.008000 0.736000 120 " " P A 2 "PRO " " CB " 6 0 0 1 1818 28.3 + 1819 3 15.913000 24.770000 1.344000 120 " " P A 2 "PRO " " CG " 6 0 0 1 1819 28.3 + 1820 3 17.108000 23.955000 0.884000 120 " " P A 2 "PRO " " CD " 6 0 0 1 1820 28.3 + 1821 41 14.718000 21.990000 1.531000 120 " " P A 2 "PRO " " HA " 1 0 0 1 1821 11.29 + 1822 41 13.837000 24.132000 1.308000 120 " " P A 2 "PRO " " HB3" 1 0 0 1 1822 28.3 + 1823 41 14.561000 24.392000 -0.267000 120 " " P A 2 "PRO " " HB2" 1 0 0 1 1823 28.3 + 1824 41 15.842000 24.740000 2.431000 120 " " P A 2 "PRO " " HG3" 1 0 0 1 1824 28.3 + 1825 41 15.954000 25.812000 1.036000 120 " " P A 2 "PRO " " HG2" 1 0 0 1 1825 28.3 + 1826 41 17.300000 24.127000 -0.171000 120 " " P A 2 "PRO " " HD2" 1 0 0 1 1826 28.3 + 1827 41 18.005000 24.207000 1.436000 120 " " P A 2 "PRO " " HD3" 1 0 0 1 1827 28.3 + 1828 25 14.161000 20.769000 -0.594000 121 " " S A 2 "SER " " N " 7 0 0 1 1828 32.95 + 1829 3 13.721000 20.023000 -1.770000 121 " " S A 2 "SER " " CA " 6 0 0 1 1829 32.95 + 1830 2 13.015000 20.940000 -2.782000 121 " " S A 2 "SER " " C " 6 0 0 1 1830 32.95 + 1831 15 12.225000 21.790000 -2.374000 121 " " S A 2 "SER " " O " 8 0 0 1 1831 64.07 + 1832 3 12.838000 18.843000 -1.309000 121 " " S A 2 "SER " " CB " 6 0 0 1 1832 64.07 + 1833 16 11.586000 19.252000 -0.789000 121 " " S A 2 "SER " " OG " 8 0 0 1 1833 64.07 + 1834 43 13.835000 20.428000 0.298000 121 " " S A 2 "SER " " H " 1 0 0 1 1834 32.95 + 1835 41 14.618000 19.613000 -2.238000 121 " " S A 2 "SER " " HA " 1 0 0 1 1835 32.95 + 1836 41 13.362000 18.261000 -0.555000 121 " " S A 2 "SER " " HB3" 1 0 0 1 1836 64.07 + 1837 41 12.650000 18.170000 -2.146000 121 " " S A 2 "SER " " HB2" 1 0 0 1 1837 64.07 + 1838 42 11.734000 19.711000 0.041000 121 " " S A 2 "SER " " HG " 1 0 0 1 1838 64.07 + 1839 25 13.317000 20.759000 -4.075000 122 " " S A 2 "SER " " N " 7 0 1 1 1839 17.31 + 1840 3 12.707000 21.504000 -5.184000 122 " " S A 2 "SER " " CA " 6 0 1 1 1840 17.31 + 1841 2 11.166000 21.405000 -5.229000 122 " " S A 2 "SER " " C " 6 0 1 1 1841 17.31 + 1842 15 10.502000 22.339000 -5.680000 122 " " S A 2 "SER " " O " 8 0 1 1 1842 68.15 + 1843 3 13.374000 21.042000 -6.495000 122 " " S A 2 "SER " " CB " 6 0 1 1 1843 68.15 + 1844 16 13.137000 19.669000 -6.750000 122 " " S A 2 "SER " " OG " 8 0 1 1 1844 68.15 + 1845 43 13.980000 20.045000 -4.341000 122 " " S A 2 "SER " " H " 1 0 1 1 1845 17.31 + 1846 41 12.957000 22.555000 -5.036000 122 " " S A 2 "SER " " HA " 1 0 1 1 1846 17.31 + 1847 41 14.450000 21.213000 -6.454000 122 " " S A 2 "SER " " HB3" 1 0 1 1 1847 68.15 + 1848 41 12.996000 21.624000 -7.336000 122 " " S A 2 "SER " " HB2" 1 0 1 1 1848 68.15 + 1849 42 13.540000 19.439000 -7.591000 122 " " S A 2 "SER " " HG " 1 0 1 1 1849 68.15 + 1850 25 10.644000 20.295000 -4.690000 123 " " E A 2 "GLU " " N " 7 0 1 1 1850 39.41 + 1851 3 9.237000 19.999000 -4.480000 123 " " E A 2 "GLU " " CA " 6 0 1 1 1851 39.41 + 1852 2 8.598000 20.872000 -3.378000 123 " " E A 2 "GLU " " C " 6 0 1 1 1852 39.41 + 1853 15 7.479000 21.341000 -3.577000 123 " " E A 2 "GLU " " O " 8 0 1 1 1853 41.35 + 1854 3 9.158000 18.487000 -4.213000 123 " " E A 2 "GLU " " CB " 6 0 1 1 1854 41.35 + 1855 3 7.743000 17.888000 -4.247000 123 " " E A 2 "GLU " " CG " 6 0 1 1 1855 41.35 + 1856 2 7.742000 16.357000 -4.219000 123 " " E A 2 "GLU " " CD " 6 0 1 1 1856 41.35 + 1857 15 8.817000 15.749000 -4.424000 123 " " E A 2 "GLU " " OE1" 8 0 1 1 1857 41.35 + 1858 18 6.641000 15.807000 -3.998000 123 " " E A 2 "GLU " " OE2" 8 -1 1 1 1858 41.35 + 1859 43 11.284000 19.588000 -4.356000 123 " " E A 2 "GLU " " H " 1 0 1 1 1859 39.41 + 1860 41 8.718000 20.207000 -5.418000 123 " " E A 2 "GLU " " HA " 1 0 1 1 1860 39.41 + 1861 41 9.620000 18.259000 -3.250000 123 " " E A 2 "GLU " " HB3" 1 0 1 1 1861 41.35 + 1862 41 9.774000 17.986000 -4.963000 123 " " E A 2 "GLU " " HB2" 1 0 1 1 1862 41.35 + 1863 41 7.230000 18.204000 -5.156000 123 " " E A 2 "GLU " " HG3" 1 0 1 1 1863 41.35 + 1864 41 7.156000 18.260000 -3.407000 123 " " E A 2 "GLU " " HG2" 1 0 1 1 1864 41.35 + 1865 25 9.337000 21.147000 -2.284000 124 " " Q A 2 "GLN " " N " 7 0 1 1 1865 32.44 + 1866 3 8.966000 22.138000 -1.266000 124 " " Q A 2 "GLN " " CA " 6 0 1 1 1866 32.44 + 1867 2 9.015000 23.583000 -1.792000 124 " " Q A 2 "GLN " " C " 6 0 1 1 1867 32.44 + 1868 15 8.130000 24.364000 -1.448000 124 " " Q A 2 "GLN " " O " 8 0 1 1 1868 55.02 + 1869 3 9.828000 21.977000 0.010000 124 " " Q A 2 "GLN " " CB " 6 0 1 1 1869 55.02 + 1870 3 9.530000 23.030000 1.101000 124 " " Q A 2 "GLN " " CG " 6 0 1 1 1870 55.02 + 1871 2 10.310000 22.843000 2.398000 124 " " Q A 2 "GLN " " CD " 6 0 1 1 1871 55.02 + 1872 15 11.266000 22.074000 2.474000 124 " " Q A 2 "GLN " " OE1" 8 0 1 1 1872 55.02 + 1873 25 9.908000 23.594000 3.425000 124 " " Q A 2 "GLN " " NE2" 7 0 1 1 1873 55.02 + 1874 43 10.257000 20.738000 -2.188000 124 " " Q A 2 "GLN " " H " 1 0 1 1 1874 32.44 + 1875 41 7.931000 21.940000 -0.984000 124 " " Q A 2 "GLN " " HA " 1 0 1 1 1875 32.44 + 1876 41 10.886000 22.027000 -0.244000 124 " " Q A 2 "GLN " " HB3" 1 0 1 1 1876 55.02 + 1877 41 9.667000 20.981000 0.419000 124 " " Q A 2 "GLN " " HB2" 1 0 1 1 1877 55.02 + 1878 41 8.463000 23.031000 1.327000 124 " " Q A 2 "GLN " " HG3" 1 0 1 1 1878 55.02 + 1879 41 9.775000 24.029000 0.745000 124 " " Q A 2 "GLN " " HG2" 1 0 1 1 1879 55.02 + 1880 43 10.386000 23.547000 4.317000 124 " " Q A 2 "GLN " "HE22" 1 0 1 1 1880 55.02 + 1881 43 9.134000 24.231000 3.314000 124 " " Q A 2 "GLN " "HE21" 1 0 1 1 1881 55.02 + 1882 25 10.031000 23.914000 -2.609000 125 " " L A 2 "LEU " " N " 7 0 1 1 1882 26.47 + 1883 3 10.220000 25.249000 -3.189000 125 " " L A 2 "LEU " " CA " 6 0 1 1 1883 26.47 + 1884 2 9.085000 25.681000 -4.133000 125 " " L A 2 "LEU " " C " 6 0 1 1 1884 26.47 + 1885 15 8.857000 26.882000 -4.265000 125 " " L A 2 "LEU " " O " 8 0 1 1 1885 19.07 + 1886 3 11.585000 25.335000 -3.905000 125 " " L A 2 "LEU " " CB " 6 0 1 1 1886 19.07 + 1887 3 12.812000 25.185000 -2.979000 125 " " L A 2 "LEU " " CG " 6 0 1 1 1887 19.07 + 1888 3 14.120000 25.174000 -3.792000 125 " " L A 2 "LEU " " CD1" 6 0 1 1 1888 19.07 + 1889 3 12.840000 26.231000 -1.852000 125 " " L A 2 "LEU " " CD2" 6 0 1 1 1889 19.07 + 1890 43 10.735000 23.222000 -2.831000 125 " " L A 2 "LEU " " H " 1 0 1 1 1890 26.47 + 1891 41 10.208000 25.963000 -2.366000 125 " " L A 2 "LEU " " HA " 1 0 1 1 1891 26.47 + 1892 41 11.665000 26.294000 -4.419000 125 " " L A 2 "LEU " " HB3" 1 0 1 1 1892 19.07 + 1893 41 11.624000 24.576000 -4.687000 125 " " L A 2 "LEU " " HB2" 1 0 1 1 1893 19.07 + 1894 41 12.748000 24.213000 -2.497000 125 " " L A 2 "LEU " " HG " 1 0 1 1 1894 19.07 + 1895 41 14.771000 24.360000 -3.470000 125 " " L A 2 "LEU " "HD11" 1 0 1 1 1895 19.07 + 1896 41 13.938000 25.036000 -4.858000 125 " " L A 2 "LEU " "HD12" 1 0 1 1 1896 19.07 + 1897 41 14.678000 26.104000 -3.687000 125 " " L A 2 "LEU " "HD13" 1 0 1 1 1897 19.07 + 1898 41 13.845000 26.589000 -1.646000 125 " " L A 2 "LEU " "HD21" 1 0 1 1 1898 19.07 + 1899 41 12.222000 27.102000 -2.073000 125 " " L A 2 "LEU " "HD22" 1 0 1 1 1899 19.07 + 1900 41 12.475000 25.788000 -0.926000 125 " " L A 2 "LEU " "HD23" 1 0 1 1 1900 19.07 + 1901 25 8.354000 24.711000 -4.709000 126 " " T A 2 "THR " " N " 7 0 0 1 1901 19.79 + 1902 3 7.125000 24.931000 -5.480000 126 " " T A 2 "THR " " CA " 6 0 0 1 1902 19.79 + 1903 2 5.988000 25.576000 -4.648000 126 " " T A 2 "THR " " C " 6 0 0 1 1903 19.79 + 1904 15 5.175000 26.305000 -5.215000 126 " " T A 2 "THR " " O " 8 0 0 1 1904 37.99 + 1905 3 6.599000 23.595000 -6.077000 126 " " T A 2 "THR " " CB " 6 0 0 1 1905 37.99 + 1906 16 7.620000 22.986000 -6.848000 126 " " T A 2 "THR " " OG1" 8 0 0 1 1906 37.99 + 1907 3 5.358000 23.714000 -6.982000 126 " " T A 2 "THR " " CG2" 6 0 0 1 1907 37.99 + 1908 43 8.604000 23.748000 -4.536000 126 " " T A 2 "THR " " H " 1 0 0 1 1908 19.79 + 1909 41 7.366000 25.611000 -6.300000 126 " " T A 2 "THR " " HA " 1 0 0 1 1909 19.79 + 1910 41 6.356000 22.908000 -5.267000 126 " " T A 2 "THR " " HB " 1 0 0 1 1910 37.99 + 1911 42 8.372000 22.793000 -6.282000 126 " " T A 2 "THR " " HG1" 1 0 0 1 1911 37.99 + 1912 41 5.131000 22.761000 -7.461000 126 " " T A 2 "THR " "HG21" 1 0 0 1 1912 37.99 + 1913 41 4.469000 24.003000 -6.420000 126 " " T A 2 "THR " "HG22" 1 0 0 1 1913 37.99 + 1914 41 5.512000 24.452000 -7.770000 126 " " T A 2 "THR " "HG23" 1 0 0 1 1914 37.99 + 1915 25 5.980000 25.336000 -3.323000 127 " " S A 2 "SER " " N " 7 0 0 1 1915 38.46 + 1916 3 5.016000 25.902000 -2.373000 127 " " S A 2 "SER " " CA " 6 0 0 1 1916 38.46 + 1917 2 5.358000 27.347000 -1.954000 127 " " S A 2 "SER " " C " 6 0 0 1 1917 38.46 + 1918 15 4.456000 28.062000 -1.518000 127 " " S A 2 "SER " " O " 8 0 0 1 1918 80.65 + 1919 3 4.947000 25.007000 -1.117000 127 " " S A 2 "SER " " CB " 6 0 0 1 1919 80.65 + 1920 16 4.574000 23.684000 -1.449000 127 " " S A 2 "SER " " OG " 8 0 0 1 1920 80.65 + 1921 43 6.706000 24.758000 -2.920000 127 " " S A 2 "SER " " H " 1 0 0 1 1921 38.46 + 1922 41 4.030000 25.916000 -2.841000 127 " " S A 2 "SER " " HA " 1 0 0 1 1922 38.46 + 1923 41 4.200000 25.395000 -0.423000 127 " " S A 2 "SER " " HB3" 1 0 0 1 1923 80.65 + 1924 41 5.889000 24.994000 -0.572000 127 " " S A 2 "SER " " HB2" 1 0 0 1 1924 80.65 + 1925 42 5.260000 23.301000 -2.001000 127 " " S A 2 "SER " " HG " 1 0 0 1 1925 80.65 + 1926 25 6.636000 27.748000 -2.083000 128 " " G A 2 "GLY " " N " 7 0 0 1 1926 27.83 + 1927 3 7.141000 29.066000 -1.691000 128 " " G A 2 "GLY " " CA " 6 0 0 1 1927 27.83 + 1928 2 7.832000 29.042000 -0.315000 128 " " G A 2 "GLY " " C " 6 0 0 1 1928 27.83 + 1929 15 8.328000 30.083000 0.110000 128 " " G A 2 "GLY " " O " 8 0 0 1 1929 46.01 + 1930 43 7.310000 27.109000 -2.482000 128 " " G A 2 "GLY " " H " 1 0 0 1 1930 27.83 + 1931 41 6.347000 29.815000 -1.685000 128 " " G A 2 "GLY " " HA3" 1 0 0 1 1931 27.83 + 1932 41 7.867000 29.386000 -2.438000 128 " " G A 2 "GLY " " HA2" 1 0 0 1 1932 27.83 + 1933 25 7.883000 27.882000 0.366000 129 " " G A 2 "GLY " " N " 7 0 2 1 1933 2.48 + 1934 3 8.613000 27.662000 1.618000 129 " " G A 2 "GLY " " CA " 6 0 2 1 1934 2.48 + 1935 2 9.988000 27.045000 1.315000 129 " " G A 2 "GLY " " C " 6 0 2 1 1935 2.48 + 1936 15 10.238000 26.598000 0.196000 129 " " G A 2 "GLY " " O " 8 0 2 1 1936 55.94 + 1937 43 7.459000 27.066000 -0.050000 129 " " G A 2 "GLY " " H " 1 0 2 1 1937 2.48 + 1938 41 8.045000 26.959000 2.228000 129 " " G A 2 "GLY " " HA3" 1 0 2 1 1938 2.48 + 1939 41 8.708000 28.577000 2.200000 129 " " G A 2 "GLY " " HA2" 1 0 2 1 1939 2.48 + 1940 25 10.873000 26.994000 2.326000 130 " " A A 2 "ALA " " N " 7 0 2 1 1940 2.48 + 1941 3 12.235000 26.469000 2.201000 130 " " A A 2 "ALA " " CA " 6 0 2 1 1941 2.48 + 1942 2 12.812000 26.090000 3.576000 130 " " A A 2 "ALA " " C " 6 0 2 1 1942 2.48 + 1943 15 13.230000 26.976000 4.318000 130 " " A A 2 "ALA " " O " 8 0 2 1 1943 2.48 + 1944 3 13.123000 27.515000 1.500000 130 " " A A 2 "ALA " " CB " 6 0 2 1 1944 2.48 + 1945 43 10.644000 27.404000 3.222000 130 " " A A 2 "ALA " " H " 1 0 2 1 1945 2.48 + 1946 41 12.196000 25.569000 1.587000 130 " " A A 2 "ALA " " HA " 1 0 2 1 1946 2.48 + 1947 41 14.147000 27.162000 1.394000 130 " " A A 2 "ALA " " HB1" 1 0 2 1 1947 2.48 + 1948 41 12.758000 27.758000 0.502000 130 " " A A 2 "ALA " " HB2" 1 0 2 1 1948 2.48 + 1949 41 13.152000 28.448000 2.063000 130 " " A A 2 "ALA " " HB3" 1 0 2 1 1949 2.48 + 1950 25 12.845000 24.785000 3.888000 131 " " S A 2 "SER " " N " 7 0 2 1 1950 2.48 + 1951 3 13.333000 24.268000 5.167000 131 " " S A 2 "SER " " CA " 6 0 2 1 1951 2.48 + 1952 2 14.667000 23.543000 4.972000 131 " " S A 2 "SER " " C " 6 0 2 1 1952 2.48 + 1953 15 14.679000 22.437000 4.429000 131 " " S A 2 "SER " " O " 8 0 2 1 1953 51.53 + 1954 3 12.294000 23.308000 5.770000 131 " " S A 2 "SER " " CB " 6 0 2 1 1954 51.53 + 1955 16 11.162000 24.013000 6.230000 131 " " S A 2 "SER " " OG " 8 0 2 1 1955 51.53 + 1956 43 12.506000 24.096000 3.231000 131 " " S A 2 "SER " " H " 1 0 2 1 1956 2.48 + 1957 41 13.488000 25.072000 5.883000 131 " " S A 2 "SER " " HA " 1 0 2 1 1957 2.48 + 1958 41 12.716000 22.775000 6.621000 131 " " S A 2 "SER " " HB3" 1 0 2 1 1958 51.53 + 1959 41 11.988000 22.557000 5.043000 131 " " S A 2 "SER " " HB2" 1 0 2 1 1959 51.53 + 1960 42 11.402000 24.504000 7.024000 131 " " S A 2 "SER " " HG " 1 0 2 1 1960 51.53 + 1961 25 15.755000 24.161000 5.460000 132 " " V A 2 "VAL " " N " 7 0 2 1 1961 9.51 + 1962 3 17.043000 23.492000 5.624000 132 " " V A 2 "VAL " " CA " 6 0 2 1 1962 9.51 + 1963 2 17.032000 22.716000 6.951000 132 " " V A 2 "VAL " " C " 6 0 2 1 1963 9.51 + 1964 15 16.815000 23.306000 8.010000 132 " " V A 2 "VAL " " O " 8 0 2 1 1964 16.97 + 1965 3 18.254000 24.470000 5.581000 132 " " V A 2 "VAL " " CB " 6 0 2 1 1965 16.97 + 1966 3 18.449000 25.032000 4.172000 132 " " V A 2 "VAL " " CG1" 6 0 2 1 1966 16.97 + 1967 3 18.247000 25.618000 6.604000 132 " " V A 2 "VAL " " CG2" 6 0 2 1 1967 16.97 + 1968 43 15.662000 25.063000 5.907000 132 " " V A 2 "VAL " " H " 1 0 2 1 1968 9.51 + 1969 41 17.173000 22.785000 4.804000 132 " " V A 2 "VAL " " HA " 1 0 2 1 1969 9.51 + 1970 41 19.150000 23.883000 5.790000 132 " " V A 2 "VAL " " HB " 1 0 2 1 1970 16.97 + 1971 41 19.300000 25.711000 4.125000 132 " " V A 2 "VAL " "HG11" 1 0 2 1 1971 16.97 + 1972 41 18.639000 24.216000 3.480000 132 " " V A 2 "VAL " "HG12" 1 0 2 1 1972 16.97 + 1973 41 17.572000 25.581000 3.829000 132 " " V A 2 "VAL " "HG13" 1 0 2 1 1973 16.97 + 1974 41 19.098000 26.283000 6.452000 132 " " V A 2 "VAL " "HG21" 1 0 2 1 1974 16.97 + 1975 41 17.344000 26.222000 6.528000 132 " " V A 2 "VAL " "HG22" 1 0 2 1 1975 16.97 + 1976 41 18.328000 25.245000 7.620000 132 " " V A 2 "VAL " "HG23" 1 0 2 1 1976 16.97 + 1977 25 17.215000 21.393000 6.846000 133 " " V A 2 "VAL " " N " 7 0 2 1 1977 17.64 + 1978 3 17.215000 20.476000 7.979000 133 " " V A 2 "VAL " " CA " 6 0 2 1 1978 17.64 + 1979 2 18.660000 20.056000 8.267000 133 " " V A 2 "VAL " " C " 6 0 2 1 1979 17.64 + 1980 15 19.392000 19.703000 7.344000 133 " " V A 2 "VAL " " O " 8 0 2 1 1980 16.06 + 1981 3 16.346000 19.218000 7.688000 133 " " V A 2 "VAL " " CB " 6 0 2 1 1981 16.06 + 1982 3 16.530000 18.053000 8.683000 133 " " V A 2 "VAL " " CG1" 6 0 2 1 1982 16.06 + 1983 3 14.859000 19.609000 7.621000 133 " " V A 2 "VAL " " CG2" 6 0 2 1 1983 16.06 + 1984 43 17.389000 20.983000 5.939000 133 " " V A 2 "VAL " " H " 1 0 2 1 1984 17.64 + 1985 41 16.807000 20.965000 8.865000 133 " " V A 2 "VAL " " HA " 1 0 2 1 1985 17.64 + 1986 41 16.612000 18.834000 6.703000 133 " " V A 2 "VAL " " HB " 1 0 2 1 1986 16.06 + 1987 41 15.790000 17.275000 8.498000 133 " " V A 2 "VAL " "HG11" 1 0 2 1 1987 16.06 + 1988 41 17.509000 17.581000 8.597000 133 " " V A 2 "VAL " "HG12" 1 0 2 1 1988 16.06 + 1989 41 16.403000 18.385000 9.714000 133 " " V A 2 "VAL " "HG13" 1 0 2 1 1989 16.06 + 1990 41 14.222000 18.758000 7.391000 133 " " V A 2 "VAL " "HG21" 1 0 2 1 1990 16.06 + 1991 41 14.518000 20.019000 8.569000 133 " " V A 2 "VAL " "HG22" 1 0 2 1 1991 16.06 + 1992 41 14.678000 20.361000 6.852000 133 " " V A 2 "VAL " "HG23" 1 0 2 1 1992 16.06 + 1993 25 19.016000 20.094000 9.554000 134 " " C A 2 "CYS " " N " 7 0 2 1 1993 38.85 + 1994 3 20.279000 19.633000 10.100000 134 " " C A 2 "CYS " " CA " 6 0 2 1 1994 38.85 + 1995 2 19.951000 18.571000 11.151000 134 " " C A 2 "CYS " " C " 6 0 2 1 1995 38.85 + 1996 15 19.374000 18.902000 12.184000 134 " " C A 2 "CYS " " O " 8 0 2 1 1996 44.13 + 1997 3 21.062000 20.841000 10.649000 134 " " C A 2 "CYS " " CB " 6 0 2 1 1997 44.13 + 1998 49 22.652000 20.539000 11.463000 134 " " C A 2 "CYS " " SG " 16 0 2 1 1998 44.13 + 1999 43 18.340000 20.411000 10.241000 134 " " C A 2 "CYS " " H " 1 0 2 1 1999 38.85 + 2000 41 20.873000 19.192000 9.307000 134 " " C A 2 "CYS " " HA " 1 0 2 1 2000 38.85 + 2001 41 20.445000 21.419000 11.337000 134 " " C A 2 "CYS " " HB3" 1 0 2 1 2001 44.13 + 2002 41 21.278000 21.495000 9.807000 134 " " C A 2 "CYS " " HB2" 1 0 2 1 2002 44.13 + 2003 25 20.306000 17.313000 10.855000 135 " " F A 2 "PHE " " N " 7 0 2 1 2003 19.22 + 2004 3 20.216000 16.193000 11.789000 135 " " F A 2 "PHE " " CA " 6 0 2 1 2004 19.22 + 2005 2 21.554000 16.056000 12.515000 135 " " F A 2 "PHE " " C " 6 0 2 1 2005 19.22 + 2006 15 22.589000 16.122000 11.860000 135 " " F A 2 "PHE " " O " 8 0 2 1 2006 6.44 + 2007 3 19.898000 14.894000 11.018000 135 " " F A 2 "PHE " " CB " 6 0 2 1 2007 6.44 + 2008 2 18.536000 14.830000 10.350000 135 " " F A 2 "PHE " " CG " 6 0 2 1 2008 6.44 + 2009 2 17.365000 15.227000 11.031000 135 " " F A 2 "PHE " " CD1" 6 0 2 1 2009 6.44 + 2010 2 18.409000 14.220000 9.085000 135 " " F A 2 "PHE " " CD2" 6 0 2 1 2010 6.44 + 2011 2 16.127000 15.100000 10.414000 135 " " F A 2 "PHE " " CE1" 6 0 2 1 2011 6.44 + 2012 2 17.171000 14.144000 8.465000 135 " " F A 2 "PHE " " CE2" 6 0 2 1 2012 6.44 + 2013 2 16.032000 14.582000 9.129000 135 " " F A 2 "PHE " " CZ " 6 0 2 1 2013 6.44 + 2014 43 20.791000 17.129000 9.987000 135 " " F A 2 "PHE " " H " 1 0 2 1 2014 19.22 + 2015 41 19.440000 16.376000 12.532000 135 " " F A 2 "PHE " " HA " 1 0 2 1 2015 19.22 + 2016 41 19.968000 14.033000 11.677000 135 " " F A 2 "PHE " " HB3" 1 0 2 1 2016 6.44 + 2017 41 20.663000 14.741000 10.256000 135 " " F A 2 "PHE " " HB2" 1 0 2 1 2017 6.44 + 2018 41 17.415000 15.630000 12.030000 135 " " F A 2 "PHE " " HD1" 1 0 2 1 2018 6.44 + 2019 41 19.274000 13.805000 8.595000 135 " " F A 2 "PHE " " HD2" 1 0 2 1 2019 6.44 + 2020 41 15.236000 15.410000 10.937000 135 " " F A 2 "PHE " " HE1" 1 0 2 1 2020 6.44 + 2021 41 17.093000 13.706000 7.481000 135 " " F A 2 "PHE " " HE2" 1 0 2 1 2021 6.44 + 2022 41 15.065000 14.491000 8.658000 135 " " F A 2 "PHE " " HZ " 1 0 2 1 2022 6.44 + 2023 25 21.506000 15.859000 13.839000 136 " " L A 2 "LEU " " N " 7 0 2 1 2023 25.5 + 2024 3 22.678000 15.662000 14.687000 136 " " L A 2 "LEU " " CA " 6 0 2 1 2024 25.5 + 2025 2 22.426000 14.374000 15.465000 136 " " L A 2 "LEU " " C " 6 0 2 1 2025 25.5 + 2026 15 21.823000 14.431000 16.532000 136 " " L A 2 "LEU " " O " 8 0 2 1 2026 14.82 + 2027 3 22.873000 16.868000 15.634000 136 " " L A 2 "LEU " " CB " 6 0 2 1 2027 14.82 + 2028 3 23.012000 18.232000 14.930000 136 " " L A 2 "LEU " " CG " 6 0 2 1 2028 14.82 + 2029 3 21.655000 18.907000 14.656000 136 " " L A 2 "LEU " " CD1" 6 0 2 1 2029 14.82 + 2030 3 23.918000 19.151000 15.742000 136 " " L A 2 "LEU " " CD2" 6 0 2 1 2030 14.82 + 2031 43 20.609000 15.828000 14.306000 136 " " L A 2 "LEU " " H " 1 0 2 1 2031 25.5 + 2032 41 23.587000 15.530000 14.095000 136 " " L A 2 "LEU " " HA " 1 0 2 1 2032 25.5 + 2033 41 23.777000 16.668000 16.210000 136 " " L A 2 "LEU " " HB3" 1 0 2 1 2033 14.82 + 2034 41 22.079000 16.935000 16.376000 136 " " L A 2 "LEU " " HB2" 1 0 2 1 2034 14.82 + 2035 41 23.507000 18.075000 13.971000 136 " " L A 2 "LEU " " HG " 1 0 2 1 2035 14.82 + 2036 41 21.587000 19.904000 15.090000 136 " " L A 2 "LEU " "HD11" 1 0 2 1 2036 14.82 + 2037 41 21.506000 19.020000 13.587000 136 " " L A 2 "LEU " "HD12" 1 0 2 1 2037 14.82 + 2038 41 20.812000 18.330000 15.037000 136 " " L A 2 "LEU " "HD13" 1 0 2 1 2038 14.82 + 2039 41 24.110000 20.079000 15.203000 136 " " L A 2 "LEU " "HD21" 1 0 2 1 2039 14.82 + 2040 41 23.473000 19.401000 16.706000 136 " " L A 2 "LEU " "HD22" 1 0 2 1 2040 14.82 + 2041 41 24.873000 18.663000 15.929000 136 " " L A 2 "LEU " "HD23" 1 0 2 1 2041 14.82 + 2042 25 22.782000 13.227000 14.869000 137 " " N A 2 "ASN " " N " 7 0 2 1 2042 2.48 + 2043 3 22.383000 11.909000 15.374000 137 " " N A 2 "ASN " " CA " 6 0 2 1 2043 2.48 + 2044 2 23.512000 11.256000 16.182000 137 " " N A 2 "ASN " " C " 6 0 2 1 2044 2.48 + 2045 15 24.686000 11.422000 15.854000 137 " " N A 2 "ASN " " O " 8 0 2 1 2045 2.48 + 2046 3 21.936000 11.018000 14.188000 137 " " N A 2 "ASN " " CB " 6 0 2 1 2046 2.48 + 2047 2 20.562000 11.357000 13.582000 137 " " N A 2 "ASN " " CG " 6 0 2 1 2047 2.48 + 2048 15 19.971000 10.520000 12.905000 137 " " N A 2 "ASN " " OD1" 8 0 2 1 2048 2.48 + 2049 25 20.032000 12.562000 13.806000 137 " " N A 2 "ASN " " ND2" 7 0 2 1 2049 2.48 + 2050 43 23.288000 13.241000 13.994000 137 " " N A 2 "ASN " " H " 1 0 2 1 2050 2.48 + 2051 41 21.519000 12.046000 16.019000 137 " " N A 2 "ASN " " HA " 1 0 2 1 2051 2.48 + 2052 41 21.858000 9.985000 14.533000 137 " " N A 2 "ASN " " HB3" 1 0 2 1 2052 2.48 + 2053 41 22.691000 11.018000 13.401000 137 " " N A 2 "ASN " " HB2" 1 0 2 1 2053 2.48 + 2054 43 19.135000 12.800000 13.408000 137 " " N A 2 "ASN " "HD22" 1 0 2 1 2054 2.48 + 2055 43 20.528000 13.242000 14.364000 137 " " N A 2 "ASN " "HD21" 1 0 2 1 2055 2.48 + 2056 25 23.092000 10.486000 17.200000 138 " " N A 2 "ASN " " N " 7 0 2 1 2056 14.41 + 2057 3 23.883000 9.602000 18.067000 138 " " N A 2 "ASN " " CA " 6 0 2 1 2057 14.41 + 2058 2 25.022000 10.317000 18.817000 138 " " N A 2 "ASN " " C " 6 0 2 1 2058 14.41 + 2059 15 26.190000 9.964000 18.650000 138 " " N A 2 "ASN " " O " 8 0 2 1 2059 40.87 + 2060 3 24.378000 8.352000 17.286000 138 " " N A 2 "ASN " " CB " 6 0 2 1 2060 40.87 + 2061 2 23.271000 7.361000 16.913000 138 " " N A 2 "ASN " " CG " 6 0 2 1 2061 40.87 + 2062 15 22.106000 7.723000 16.786000 138 " " N A 2 "ASN " " OD1" 8 0 2 1 2062 40.87 + 2063 25 23.638000 6.091000 16.731000 138 " " N A 2 "ASN " " ND2" 7 0 2 1 2063 40.87 + 2064 43 22.095000 10.429000 17.362000 138 " " N A 2 "ASN " " H " 1 0 2 1 2064 14.41 + 2065 41 23.143000 9.287000 18.800000 138 " " N A 2 "ASN " " HA " 1 0 2 1 2065 14.41 + 2066 41 25.081000 7.795000 17.909000 138 " " N A 2 "ASN " " HB3" 1 0 2 1 2066 40.87 + 2067 41 24.926000 8.641000 16.389000 138 " " N A 2 "ASN " " HB2" 1 0 2 1 2067 40.87 + 2068 43 22.940000 5.391000 16.531000 138 " " N A 2 "ASN " "HD22" 1 0 2 1 2068 40.87 + 2069 43 24.593000 5.805000 16.883000 138 " " N A 2 "ASN " "HD21" 1 0 2 1 2069 40.87 + 2070 25 24.646000 11.286000 19.661000 139 " " F A 2 "PHE " " N " 7 0 2 1 2070 15.48 + 2071 3 25.548000 12.003000 20.558000 139 " " F A 2 "PHE " " CA " 6 0 2 1 2071 15.48 + 2072 2 25.152000 11.778000 22.025000 139 " " F A 2 "PHE " " C " 6 0 2 1 2072 15.48 + 2073 15 24.025000 11.379000 22.317000 139 " " F A 2 "PHE " " O " 8 0 2 1 2073 11.35 + 2074 3 25.570000 13.494000 20.166000 139 " " F A 2 "PHE " " CB " 6 0 2 1 2074 11.35 + 2075 2 24.302000 14.304000 20.365000 139 " " F A 2 "PHE " " CG " 6 0 2 1 2075 11.35 + 2076 2 24.078000 14.960000 21.586000 139 " " F A 2 "PHE " " CD1" 6 0 2 1 2076 11.35 + 2077 2 23.282000 14.305000 19.394000 139 " " F A 2 "PHE " " CD2" 6 0 2 1 2077 11.35 + 2078 2 22.883000 15.622000 21.816000 139 " " F A 2 "PHE " " CE1" 6 0 2 1 2078 11.35 + 2079 2 22.093000 14.977000 19.642000 139 " " F A 2 "PHE " " CE2" 6 0 2 1 2079 11.35 + 2080 2 21.890000 15.631000 20.848000 139 " " F A 2 "PHE " " CZ " 6 0 2 1 2080 11.35 + 2081 43 23.662000 11.509000 19.754000 139 " " F A 2 "PHE " " H " 1 0 2 1 2081 15.48 + 2082 41 26.558000 11.613000 20.438000 139 " " F A 2 "PHE " " HA " 1 0 2 1 2082 15.48 + 2083 41 25.842000 13.557000 19.120000 139 " " F A 2 "PHE " " HB3" 1 0 2 1 2083 11.35 + 2084 41 26.376000 13.990000 20.707000 139 " " F A 2 "PHE " " HB2" 1 0 2 1 2084 11.35 + 2085 41 24.857000 14.960000 22.329000 139 " " F A 2 "PHE " " HD1" 1 0 2 1 2085 11.35 + 2086 41 23.420000 13.770000 18.466000 139 " " F A 2 "PHE " " HD2" 1 0 2 1 2086 11.35 + 2087 41 22.742000 16.141000 22.746000 139 " " F A 2 "PHE " " HE1" 1 0 2 1 2087 11.35 + 2088 41 21.313000 14.976000 18.902000 139 " " F A 2 "PHE " " HE2" 1 0 2 1 2088 11.35 + 2089 41 20.962000 16.149000 21.034000 139 " " F A 2 "PHE " " HZ " 1 0 2 1 2089 11.35 + 2090 25 26.101000 12.053000 22.928000 140 " " Y A 2 "TYR " " N " 7 0 2 1 2090 21.02 + 2091 3 25.917000 11.967000 24.374000 140 " " Y A 2 "TYR " " CA " 6 0 2 1 2091 21.02 + 2092 2 26.977000 12.869000 25.035000 140 " " Y A 2 "TYR " " C " 6 0 2 1 2092 21.02 + 2093 15 28.135000 12.766000 24.624000 140 " " Y A 2 "TYR " " O " 8 0 2 1 2093 32 + 2094 3 26.068000 10.499000 24.834000 140 " " Y A 2 "TYR " " CB " 6 0 2 1 2094 32 + 2095 2 25.593000 10.302000 26.261000 140 " " Y A 2 "TYR " " CG " 6 0 2 1 2095 32 + 2096 2 26.456000 10.555000 27.349000 140 " " Y A 2 "TYR " " CD1" 6 0 2 1 2096 32 + 2097 2 24.250000 9.950000 26.505000 140 " " Y A 2 "TYR " " CD2" 6 0 2 1 2097 32 + 2098 2 25.958000 10.521000 28.665000 140 " " Y A 2 "TYR " " CE1" 6 0 2 1 2098 32 + 2099 2 23.763000 9.884000 27.823000 140 " " Y A 2 "TYR " " CE2" 6 0 2 1 2099 32 + 2100 2 24.607000 10.201000 28.902000 140 " " Y A 2 "TYR " " CZ " 6 0 2 1 2100 32 + 2101 16 24.114000 10.225000 30.173000 140 " " Y A 2 "TYR " " OH " 8 0 2 1 2101 32 + 2102 43 27.005000 12.390000 22.619000 140 " " Y A 2 "TYR " " H " 1 0 2 1 2102 21.02 + 2103 41 24.907000 12.291000 24.608000 140 " " Y A 2 "TYR " " HA " 1 0 2 1 2103 21.02 + 2104 41 27.099000 10.155000 24.733000 140 " " Y A 2 "TYR " " HB3" 1 0 2 1 2104 32 + 2105 41 25.472000 9.843000 24.199000 140 " " Y A 2 "TYR " " HB2" 1 0 2 1 2105 32 + 2106 41 27.488000 10.824000 27.179000 140 " " Y A 2 "TYR " " HD1" 1 0 2 1 2106 32 + 2107 41 23.579000 9.760000 25.681000 140 " " Y A 2 "TYR " " HD2" 1 0 2 1 2107 32 + 2108 41 26.613000 10.755000 29.492000 140 " " Y A 2 "TYR " " HE1" 1 0 2 1 2108 32 + 2109 41 22.730000 9.626000 28.001000 140 " " Y A 2 "TYR " " HE2" 1 0 2 1 2109 32 + 2110 42 23.172000 10.037000 30.243000 140 " " Y A 2 "TYR " " HH " 1 0 2 1 2110 32 + 2111 25 26.625000 13.700000 26.051000 141 " " P A 2 "PRO " " N " 7 0 0 1 2111 12.87 + 2112 3 25.295000 13.911000 26.689000 141 " " P A 2 "PRO " " CA " 6 0 0 1 2112 12.87 + 2113 2 24.177000 14.499000 25.808000 141 " " P A 2 "PRO " " C " 6 0 0 1 2113 12.87 + 2114 15 24.440000 14.893000 24.678000 141 " " P A 2 "PRO " " O " 8 0 0 1 2114 21.16 + 2115 3 25.606000 14.884000 27.845000 141 " " P A 2 "PRO " " CB " 6 0 0 1 2115 21.16 + 2116 3 27.075000 14.677000 28.156000 141 " " P A 2 "PRO " " CG " 6 0 0 1 2116 21.16 + 2117 3 27.666000 14.430000 26.781000 141 " " P A 2 "PRO " " CD " 6 0 0 1 2117 21.16 + 2118 41 24.960000 12.958000 27.099000 141 " " P A 2 "PRO " " HA " 1 0 0 1 2118 12.87 + 2119 41 24.977000 14.709000 28.719000 141 " " P A 2 "PRO " " HB3" 1 0 0 1 2119 21.16 + 2120 41 25.455000 15.920000 27.534000 141 " " P A 2 "PRO " " HB2" 1 0 0 1 2120 21.16 + 2121 41 27.197000 13.784000 28.770000 141 " " P A 2 "PRO " " HG3" 1 0 0 1 2121 21.16 + 2122 41 27.532000 15.516000 28.682000 141 " " P A 2 "PRO " " HG2" 1 0 0 1 2122 21.16 + 2123 41 27.867000 15.373000 26.274000 141 " " P A 2 "PRO " " HD2" 1 0 0 1 2123 21.16 + 2124 41 28.609000 13.887000 26.863000 141 " " P A 2 "PRO " " HD3" 1 0 0 1 2124 21.16 + 2125 25 22.948000 14.581000 26.356000 142 " " K A 2 "LYS " " N " 7 0 0 1 2125 12.87 + 2126 3 21.785000 15.221000 25.712000 142 " " K A 2 "LYS " " CA " 6 0 0 1 2126 12.87 + 2127 2 21.993000 16.713000 25.390000 142 " " K A 2 "LYS " " C " 6 0 0 1 2127 12.87 + 2128 15 21.369000 17.226000 24.461000 142 " " K A 2 "LYS " " O " 8 0 0 1 2128 66.88 + 2129 3 20.536000 15.074000 26.612000 142 " " K A 2 "LYS " " CB " 6 0 0 1 2129 66.88 + 2130 3 19.223000 15.467000 25.905000 142 " " K A 2 "LYS " " CG " 6 0 0 1 2130 66.88 + 2131 3 17.955000 15.150000 26.704000 142 " " K A 2 "LYS " " CD " 6 0 0 1 2131 66.88 + 2132 3 16.696000 15.533000 25.914000 142 " " K A 2 "LYS " " CE " 6 0 0 1 2132 66.88 + 2133 32 15.473000 15.047000 26.571000 142 " " K A 2 "LYS " " NZ " 7 1 0 1 2133 66.88 + 2134 43 22.798000 14.232000 27.292000 142 " " K A 2 "LYS " " H " 1 0 0 1 2134 12.87 + 2135 41 21.607000 14.700000 24.769000 142 " " K A 2 "LYS " " HA " 1 0 0 1 2135 12.87 + 2136 41 20.656000 15.662000 27.523000 142 " " K A 2 "LYS " " HB3" 1 0 0 1 2136 66.88 + 2137 41 20.452000 14.048000 26.950000 142 " " K A 2 "LYS " " HB2" 1 0 0 1 2137 66.88 + 2138 41 19.175000 14.961000 24.940000 142 " " K A 2 "LYS " " HG3" 1 0 0 1 2138 66.88 + 2139 41 19.218000 16.535000 25.689000 142 " " K A 2 "LYS " " HG2" 1 0 0 1 2139 66.88 + 2140 41 17.976000 15.691000 27.651000 142 " " K A 2 "LYS " " HD3" 1 0 0 1 2140 66.88 + 2141 41 17.931000 14.092000 26.961000 142 " " K A 2 "LYS " " HD2" 1 0 0 1 2141 66.88 + 2142 41 16.732000 15.099000 24.915000 142 " " K A 2 "LYS " " HE3" 1 0 0 1 2142 66.88 + 2143 41 16.636000 16.616000 25.792000 142 " " K A 2 "LYS " " HE2" 1 0 0 1 2143 66.88 + 2144 44 15.506000 14.040000 26.639000 142 " " K A 2 "LYS " " HZ1" 1 0 0 1 2144 66.88 + 2145 44 15.404000 15.445000 27.497000 142 " " K A 2 "LYS " " HZ2" 1 0 0 1 2145 66.88 + 2146 44 14.667000 15.319000 26.025000 142 " " K A 2 "LYS " " HZ3" 1 0 0 1 2146 66.88 + 2147 25 22.850000 17.376000 26.180000 143 " " D A 2 "ASP " " N " 7 0 0 1 2147 26.73 + 2148 3 23.170000 18.793000 26.083000 143 " " D A 2 "ASP " " CA " 6 0 0 1 2148 26.73 + 2149 2 23.882000 19.095000 24.753000 143 " " D A 2 "ASP " " C " 6 0 0 1 2149 26.73 + 2150 15 24.918000 18.493000 24.473000 143 " " D A 2 "ASP " " O " 8 0 0 1 2150 75.9 + 2151 3 24.053000 19.216000 27.281000 143 " " D A 2 "ASP " " CB " 6 0 0 1 2151 75.9 + 2152 2 23.747000 20.630000 27.767000 143 " " D A 2 "ASP " " CG " 6 0 0 1 2152 75.9 + 2153 15 22.597000 20.837000 28.213000 143 " " D A 2 "ASP " " OD1" 8 0 0 1 2153 75.9 + 2154 18 24.682000 21.458000 27.742000 143 " " D A 2 "ASP " " OD2" 8 -1 0 1 2154 75.9 + 2155 43 23.324000 16.872000 26.914000 143 " " D A 2 "ASP " " H " 1 0 0 1 2155 26.73 + 2156 41 22.221000 19.334000 26.104000 143 " " D A 2 "ASP " " HA " 1 0 0 1 2156 26.73 + 2157 41 25.115000 19.152000 27.036000 143 " " D A 2 "ASP " " HB3" 1 0 0 1 2157 75.9 + 2158 41 23.930000 18.543000 28.130000 143 " " D A 2 "ASP " " HB2" 1 0 0 1 2158 75.9 + 2159 25 23.318000 20.027000 23.972000 144 " " I A 2 "ILE " " N " 7 0 0 1 2159 10.38 + 2160 3 23.902000 20.494000 22.719000 144 " " I A 2 "ILE " " CA " 6 0 0 1 2160 10.38 + 2161 2 23.261000 21.842000 22.345000 144 " " I A 2 "ILE " " C " 6 0 0 1 2161 10.38 + 2162 15 22.040000 21.987000 22.433000 144 " " I A 2 "ILE " " O " 8 0 0 1 2162 17.26 + 2163 3 23.741000 19.452000 21.557000 144 " " I A 2 "ILE " " CB " 6 0 0 1 2163 17.26 + 2164 3 24.779000 19.675000 20.441000 144 " " I A 2 "ILE " " CG1" 6 0 0 1 2164 17.26 + 2165 3 22.327000 19.339000 20.951000 144 " " I A 2 "ILE " " CG2" 6 0 0 1 2165 17.26 + 2166 3 25.008000 18.444000 19.554000 144 " " I A 2 "ILE " " CD1" 6 0 0 1 2166 17.26 + 2167 43 22.462000 20.482000 24.259000 144 " " I A 2 "ILE " " H " 1 0 0 1 2167 10.38 + 2168 41 24.964000 20.671000 22.905000 144 " " I A 2 "ILE " " HA " 1 0 0 1 2168 10.38 + 2169 41 23.959000 18.473000 21.984000 144 " " I A 2 "ILE " " HB " 1 0 0 1 2169 17.26 + 2170 41 25.730000 19.943000 20.889000 144 " " I A 2 "ILE " "HG13" 1 0 0 1 2170 17.26 + 2171 41 24.492000 20.526000 19.822000 144 " " I A 2 "ILE " "HG12" 1 0 0 1 2171 17.26 + 2172 41 22.252000 18.492000 20.269000 144 " " I A 2 "ILE " "HG21" 1 0 0 1 2172 17.26 + 2173 41 21.585000 19.181000 21.732000 144 " " I A 2 "ILE " "HG22" 1 0 0 1 2173 17.26 + 2174 41 22.046000 20.228000 20.387000 144 " " I A 2 "ILE " "HG23" 1 0 0 1 2174 17.26 + 2175 41 25.900000 18.587000 18.948000 144 " " I A 2 "ILE " "HD11" 1 0 0 1 2175 17.26 + 2176 41 25.153000 17.538000 20.146000 144 " " I A 2 "ILE " "HD12" 1 0 0 1 2176 17.26 + 2177 41 24.173000 18.275000 18.875000 144 " " I A 2 "ILE " "HD13" 1 0 0 1 2177 17.26 + 2178 25 24.103000 22.799000 21.929000 145 " " N A 2 "ASN " " N " 7 0 2 1 2178 36.98 + 2179 3 23.697000 24.090000 21.367000 145 " " N A 2 "ASN " " CA " 6 0 2 1 2179 36.98 + 2180 2 23.939000 24.010000 19.854000 145 " " N A 2 "ASN " " C " 6 0 2 1 2180 36.98 + 2181 15 25.011000 23.568000 19.435000 145 " " N A 2 "ASN " " O " 8 0 2 1 2181 69.63 + 2182 3 24.467000 25.217000 22.116000 145 " " N A 2 "ASN " " CB " 6 0 2 1 2182 69.63 + 2183 2 24.709000 26.512000 21.323000 145 " " N A 2 "ASN " " CG " 6 0 2 1 2183 69.63 + 2184 15 23.916000 27.449000 21.379000 145 " " N A 2 "ASN " " OD1" 8 0 2 1 2184 69.63 + 2185 25 25.814000 26.564000 20.580000 145 " " N A 2 "ASN " " ND2" 7 0 2 1 2185 69.63 + 2186 43 25.093000 22.598000 21.883000 145 " " N A 2 "ASN " " H " 1 0 2 1 2186 36.98 + 2187 41 22.635000 24.227000 21.579000 145 " " N A 2 "ASN " " HA " 1 0 2 1 2187 36.98 + 2188 41 25.444000 24.848000 22.423000 145 " " N A 2 "ASN " " HB3" 1 0 2 1 2188 69.63 + 2189 41 23.954000 25.452000 23.049000 145 " " N A 2 "ASN " " HB2" 1 0 2 1 2189 69.63 + 2190 43 26.024000 27.374000 20.018000 145 " " N A 2 "ASN " "HD22" 1 0 2 1 2190 69.63 + 2191 43 26.469000 25.791000 20.598000 145 " " N A 2 "ASN " "HD21" 1 0 2 1 2191 69.63 + 2192 25 22.945000 24.476000 19.081000 146 " " V A 2 "VAL " " N " 7 0 2 1 2192 39.26 + 2193 3 22.998000 24.544000 17.624000 146 " " V A 2 "VAL " " CA " 6 0 2 1 2193 39.26 + 2194 2 22.781000 25.992000 17.150000 146 " " V A 2 "VAL " " C " 6 0 2 1 2194 39.26 + 2195 15 21.905000 26.679000 17.678000 146 " " V A 2 "VAL " " O " 8 0 2 1 2195 21.28 + 2196 3 21.967000 23.588000 16.961000 146 " " V A 2 "VAL " " CB " 6 0 2 1 2196 21.28 + 2197 3 21.739000 23.825000 15.453000 146 " " V A 2 "VAL " " CG1" 6 0 2 1 2197 21.28 + 2198 3 22.390000 22.125000 17.181000 146 " " V A 2 "VAL " " CG2" 6 0 2 1 2198 21.28 + 2199 43 22.108000 24.846000 19.508000 146 " " V A 2 "VAL " " H " 1 0 2 1 2199 39.26 + 2200 41 23.981000 24.226000 17.302000 146 " " V A 2 "VAL " " HA " 1 0 2 1 2200 39.26 + 2201 41 21.004000 23.722000 17.455000 146 " " V A 2 "VAL " " HB " 1 0 2 1 2201 21.28 + 2202 41 21.171000 23.010000 15.008000 146 " " V A 2 "VAL " "HG11" 1 0 2 1 2202 21.28 + 2203 41 21.186000 24.744000 15.257000 146 " " V A 2 "VAL " "HG12" 1 0 2 1 2203 21.28 + 2204 41 22.687000 23.879000 14.916000 146 " " V A 2 "VAL " "HG13" 1 0 2 1 2204 21.28 + 2205 41 21.662000 21.439000 16.752000 146 " " V A 2 "VAL " "HG21" 1 0 2 1 2205 21.28 + 2206 41 23.358000 21.922000 16.724000 146 " " V A 2 "VAL " "HG22" 1 0 2 1 2206 21.28 + 2207 41 22.466000 21.881000 18.241000 146 " " V A 2 "VAL " "HG23" 1 0 2 1 2207 21.28 + 2208 25 23.592000 26.418000 16.166000 147 " " K A 2 "LYS " " N " 7 0 2 1 2208 72.46 + 2209 3 23.593000 27.771000 15.612000 147 " " K A 2 "LYS " " CA " 6 0 2 1 2209 72.46 + 2210 2 23.566000 27.726000 14.077000 147 " " K A 2 "LYS " " C " 6 0 2 1 2210 72.46 + 2211 15 24.565000 27.344000 13.471000 147 " " K A 2 "LYS " " O " 8 0 2 1 2211 40.07 + 2212 3 24.845000 28.538000 16.102000 147 " " K A 2 "LYS " " CB " 6 0 2 1 2212 40.07 + 2213 3 24.942000 28.717000 17.628000 147 " " K A 2 "LYS " " CG " 6 0 2 1 2213 40.07 + 2214 3 26.098000 29.653000 18.029000 147 " " K A 2 "LYS " " CD " 6 0 2 1 2214 40.07 + 2215 3 26.228000 29.926000 19.538000 147 " " K A 2 "LYS " " CE " 6 0 2 1 2215 40.07 + 2216 32 24.965000 30.371000 20.155000 147 " " K A 2 "LYS " " NZ " 7 1 2 1 2216 40.07 + 2217 43 24.293000 25.787000 15.798000 147 " " K A 2 "LYS " " H " 1 0 2 1 2217 72.46 + 2218 41 22.701000 28.303000 15.940000 147 " " K A 2 "LYS " " HA " 1 0 2 1 2218 72.46 + 2219 41 24.849000 29.524000 15.634000 147 " " K A 2 "LYS " " HB3" 1 0 2 1 2219 40.07 + 2220 41 25.751000 28.041000 15.754000 147 " " K A 2 "LYS " " HB2" 1 0 2 1 2220 40.07 + 2221 41 25.090000 27.744000 18.098000 147 " " K A 2 "LYS " " HG3" 1 0 2 1 2221 40.07 + 2222 41 23.994000 29.095000 18.007000 147 " " K A 2 "LYS " " HG2" 1 0 2 1 2222 40.07 + 2223 41 26.021000 30.600000 17.498000 147 " " K A 2 "LYS " " HD3" 1 0 2 1 2223 40.07 + 2224 41 27.034000 29.213000 17.681000 147 " " K A 2 "LYS " " HD2" 1 0 2 1 2224 40.07 + 2225 41 26.989000 30.689000 19.708000 147 " " K A 2 "LYS " " HE3" 1 0 2 1 2225 40.07 + 2226 41 26.572000 29.033000 20.056000 147 " " K A 2 "LYS " " HE2" 1 0 2 1 2226 40.07 + 2227 44 24.640000 31.219000 19.714000 147 " " K A 2 "LYS " " HZ1" 1 0 2 1 2227 40.07 + 2228 44 24.266000 29.646000 20.063000 147 " " K A 2 "LYS " " HZ2" 1 0 2 1 2228 40.07 + 2229 44 25.119000 30.548000 21.138000 147 " " K A 2 "LYS " " HZ3" 1 0 2 1 2229 40.07 + 2230 25 22.448000 28.169000 13.478000 148 " " W A 2 "TRP " " N " 7 0 2 1 2230 35.8 + 2231 3 22.321000 28.382000 12.033000 148 " " W A 2 "TRP " " CA " 6 0 2 1 2231 35.8 + 2232 2 22.919000 29.725000 11.603000 148 " " W A 2 "TRP " " C " 6 0 2 1 2232 35.8 + 2233 15 22.519000 30.747000 12.152000 148 " " W A 2 "TRP " " O " 8 0 2 1 2233 47.12 + 2234 3 20.843000 28.341000 11.620000 148 " " W A 2 "TRP " " CB " 6 0 2 1 2234 47.12 + 2235 2 20.250000 26.978000 11.498000 148 " " W A 2 "TRP " " CG " 6 0 2 1 2235 47.12 + 2236 2 19.418000 26.388000 12.380000 148 " " W A 2 "TRP " " CD1" 6 0 2 1 2236 47.12 + 2237 2 20.476000 26.001000 10.441000 148 " " W A 2 "TRP " " CD2" 6 0 2 1 2237 47.12 + 2238 25 19.048000 25.149000 11.899000 148 " " W A 2 "TRP " " NE1" 7 0 2 1 2238 47.12 + 2239 2 19.665000 24.858000 10.702000 148 " " W A 2 "TRP " " CE2" 6 0 2 1 2239 47.12 + 2240 2 21.275000 25.973000 9.274000 148 " " W A 2 "TRP " " CE3" 6 0 2 1 2240 47.12 + 2241 2 19.622000 23.757000 9.831000 148 " " W A 2 "TRP " " CZ2" 6 0 2 1 2241 47.12 + 2242 2 21.265000 24.862000 8.409000 148 " " W A 2 "TRP " " CZ3" 6 0 2 1 2242 47.12 + 2243 2 20.432000 23.759000 8.680000 148 " " W A 2 "TRP " " CH2" 6 0 2 1 2243 47.12 + 2244 43 21.662000 28.466000 14.037000 148 " " W A 2 "TRP " " H " 1 0 2 1 2244 35.8 + 2245 41 22.845000 27.591000 11.496000 148 " " W A 2 "TRP " " HA " 1 0 2 1 2245 35.8 + 2246 41 20.733000 28.790000 10.632000 148 " " W A 2 "TRP " " HB3" 1 0 2 1 2246 47.12 + 2247 41 20.232000 28.951000 12.289000 148 " " W A 2 "TRP " " HB2" 1 0 2 1 2247 47.12 + 2248 41 19.087000 26.849000 13.298000 148 " " W A 2 "TRP " " HD1" 1 0 2 1 2248 47.12 + 2249 43 18.443000 24.527000 12.421000 148 " " W A 2 "TRP " " HE1" 1 0 2 1 2249 47.12 + 2250 41 21.902000 26.821000 9.041000 148 " " W A 2 "TRP " " HE3" 1 0 2 1 2250 47.12 + 2251 41 18.977000 22.918000 10.044000 148 " " W A 2 "TRP " " HZ2" 1 0 2 1 2251 47.12 + 2252 41 21.884000 24.868000 7.525000 148 " " W A 2 "TRP " " HZ3" 1 0 2 1 2252 47.12 + 2253 41 20.410000 22.918000 8.002000 148 " " W A 2 "TRP " " HH2" 1 0 2 1 2253 47.12 + 2254 25 23.808000 29.683000 10.598000 149 " " K A 2 "LYS " " N " 7 0 2 1 2254 65.87 + 2255 3 24.460000 30.829000 9.967000 149 " " K A 2 "LYS " " CA " 6 0 2 1 2255 65.87 + 2256 2 24.177000 30.853000 8.462000 149 " " K A 2 "LYS " " C " 6 0 2 1 2256 65.87 + 2257 15 24.457000 29.872000 7.771000 149 " " K A 2 "LYS " " O " 8 0 2 1 2257 53.15 + 2258 3 25.968000 30.800000 10.276000 149 " " K A 2 "LYS " " CB " 6 0 2 1 2258 53.15 + 2259 3 26.302000 31.524000 11.592000 149 " " K A 2 "LYS " " CG " 6 0 2 1 2259 53.15 + 2260 3 27.804000 31.688000 11.857000 149 " " K A 2 "LYS " " CD " 6 0 2 1 2260 53.15 + 2261 3 28.541000 30.365000 12.077000 149 " " K A 2 "LYS " " CE " 6 0 2 1 2261 53.15 + 2262 32 29.979000 30.590000 12.296000 149 " " K A 2 "LYS " " NZ " 7 1 2 1 2262 53.15 + 2263 43 24.067000 28.782000 10.214000 149 " " K A 2 "LYS " " H " 1 0 2 1 2263 65.87 + 2264 41 24.053000 31.748000 10.373000 149 " " K A 2 "LYS " " HA " 1 0 2 1 2264 65.87 + 2265 41 26.511000 31.306000 9.478000 149 " " K A 2 "LYS " " HB3" 1 0 2 1 2265 53.15 + 2266 41 26.337000 29.774000 10.272000 149 " " K A 2 "LYS " " HB2" 1 0 2 1 2266 53.15 + 2267 41 25.827000 31.013000 12.431000 149 " " K A 2 "LYS " " HG3" 1 0 2 1 2267 53.15 + 2268 41 25.868000 32.523000 11.552000 149 " " K A 2 "LYS " " HG2" 1 0 2 1 2268 53.15 + 2269 41 27.937000 32.327000 12.731000 149 " " K A 2 "LYS " " HD3" 1 0 2 1 2269 53.15 + 2270 41 28.263000 32.220000 11.024000 149 " " K A 2 "LYS " " HD2" 1 0 2 1 2270 53.15 + 2271 41 28.429000 29.701000 11.221000 149 " " K A 2 "LYS " " HE3" 1 0 2 1 2271 53.15 + 2272 41 28.125000 29.851000 12.943000 149 " " K A 2 "LYS " " HE2" 1 0 2 1 2272 53.15 + 2273 44 30.416000 29.689000 12.473000 149 " " K A 2 "LYS " " HZ1" 1 0 2 1 2273 53.15 + 2274 44 30.394000 31.013000 11.479000 149 " " K A 2 "LYS " " HZ2" 1 0 2 1 2274 53.15 + 2275 44 30.116000 31.184000 13.100000 149 " " K A 2 "LYS " " HZ3" 1 0 2 1 2275 53.15 + 2276 25 23.637000 31.992000 8.000000 150 " " I A 2 "ILE " " N " 7 0 2 1 2276 52.43 + 2277 3 23.258000 32.246000 6.615000 150 " " I A 2 "ILE " " CA " 6 0 2 1 2277 52.43 + 2278 2 24.093000 33.440000 6.121000 150 " " I A 2 "ILE " " C " 6 0 2 1 2278 52.43 + 2279 15 23.800000 34.580000 6.485000 150 " " I A 2 "ILE " " O " 8 0 2 1 2279 58.86 + 2280 3 21.747000 32.602000 6.481000 150 " " I A 2 "ILE " " CB " 6 0 2 1 2280 58.86 + 2281 3 20.846000 31.523000 7.116000 150 " " I A 2 "ILE " " CG1" 6 0 2 1 2281 58.86 + 2282 3 21.359000 32.857000 5.007000 150 " " I A 2 "ILE " " CG2" 6 0 2 1 2282 58.86 + 2283 3 19.369000 31.921000 7.189000 150 " " I A 2 "ILE " " CD1" 6 0 2 1 2283 58.86 + 2284 43 23.488000 32.767000 8.633000 150 " " I A 2 "ILE " " H " 1 0 2 1 2284 52.43 + 2285 41 23.466000 31.374000 5.998000 150 " " I A 2 "ILE " " HA " 1 0 2 1 2285 52.43 + 2286 41 21.553000 33.523000 7.035000 150 " " I A 2 "ILE " " HB " 1 0 2 1 2286 58.86 + 2287 41 21.170000 31.308000 8.134000 150 " " I A 2 "ILE " "HG13" 1 0 2 1 2287 58.86 + 2288 41 20.957000 30.587000 6.574000 150 " " I A 2 "ILE " "HG12" 1 0 2 1 2288 58.86 + 2289 41 20.292000 33.035000 4.876000 150 " " I A 2 "ILE " "HG21" 1 0 2 1 2289 58.86 + 2290 41 21.868000 33.734000 4.614000 150 " " I A 2 "ILE " "HG22" 1 0 2 1 2290 58.86 + 2291 41 21.636000 32.015000 4.375000 150 " " I A 2 "ILE " "HG23" 1 0 2 1 2291 58.86 + 2292 41 18.760000 31.278000 6.565000 150 " " I A 2 "ILE " "HD11" 1 0 2 1 2292 58.86 + 2293 41 18.998000 31.823000 8.207000 150 " " I A 2 "ILE " "HD12" 1 0 2 1 2293 58.86 + 2294 41 19.194000 32.950000 6.877000 150 " " I A 2 "ILE " "HD13" 1 0 2 1 2294 58.86 + 2295 25 25.136000 33.147000 5.325000 151 " " D A 2 "ASP " " N " 7 0 0 1 2295 58.63 + 2296 3 26.139000 34.115000 4.859000 151 " " D A 2 "ASP " " CA " 6 0 0 1 2296 58.63 + 2297 2 26.924000 34.734000 6.026000 151 " " D A 2 "ASP " " C " 6 0 0 1 2297 58.63 + 2298 15 26.709000 35.891000 6.386000 151 " " D A 2 "ASP " " O " 8 0 0 1 2298 58.77 + 2299 3 25.624000 35.151000 3.824000 151 " " D A 2 "ASP " " CB " 6 0 0 1 2299 58.77 + 2300 2 25.073000 34.540000 2.527000 151 " " D A 2 "ASP " " CG " 6 0 0 1 2300 58.77 + 2301 15 25.323000 33.340000 2.269000 151 " " D A 2 "ASP " " OD1" 8 0 0 1 2301 58.77 + 2302 18 24.459000 35.311000 1.759000 151 " " D A 2 "ASP " " OD2" 8 -1 0 1 2302 58.77 + 2303 43 25.287000 32.188000 5.044000 151 " " D A 2 "ASP " " H " 1 0 0 1 2303 58.63 + 2304 41 26.894000 33.540000 4.330000 151 " " D A 2 "ASP " " HA " 1 0 0 1 2304 58.63 + 2305 41 26.437000 35.826000 3.553000 151 " " D A 2 "ASP " " HB3" 1 0 0 1 2305 58.77 + 2306 41 24.836000 35.749000 4.282000 151 " " D A 2 "ASP " " HB2" 1 0 0 1 2306 58.77 + 2307 25 27.828000 33.913000 6.587000 152 " " G A 2 "GLY " " N " 7 0 0 1 2307 42.54 + 2308 3 28.749000 34.294000 7.654000 152 " " G A 2 "GLY " " CA " 6 0 0 1 2308 42.54 + 2309 2 28.029000 34.410000 9.002000 152 " " G A 2 "GLY " " C " 6 0 0 1 2309 42.54 + 2310 15 26.992000 33.784000 9.222000 152 " " G A 2 "GLY " " O " 8 0 0 1 2310 24.41 + 2311 43 27.907000 32.970000 6.237000 152 " " G A 2 "GLY " " H " 1 0 0 1 2311 42.54 + 2312 41 29.238000 35.236000 7.401000 152 " " G A 2 "GLY " " HA3" 1 0 0 1 2312 42.54 + 2313 41 29.529000 33.538000 7.733000 152 " " G A 2 "GLY " " HA2" 1 0 0 1 2313 42.54 + 2314 25 28.626000 35.218000 9.898000 153 " " S A 2 "SER " " N " 7 0 0 1 2314 68.53 + 2315 3 28.209000 35.525000 11.274000 153 " " S A 2 "SER " " CA " 6 0 0 1 2315 68.53 + 2316 2 26.726000 35.893000 11.459000 153 " " S A 2 "SER " " C " 6 0 0 1 2316 68.53 + 2317 15 26.214000 35.681000 12.560000 153 " " S A 2 "SER " " O " 8 0 0 1 2317 73.44 + 2318 3 29.124000 36.647000 11.812000 153 " " S A 2 "SER " " CB " 6 0 0 1 2318 73.44 + 2319 16 28.823000 37.021000 13.144000 153 " " S A 2 "SER " " OG " 8 0 0 1 2319 73.44 + 2320 43 29.470000 35.691000 9.607000 153 " " S A 2 "SER " " H " 1 0 0 1 2320 68.53 + 2321 41 28.392000 34.628000 11.866000 153 " " S A 2 "SER " " HA " 1 0 0 1 2321 68.53 + 2322 41 29.040000 37.535000 11.184000 153 " " S A 2 "SER " " HB3" 1 0 0 1 2322 73.44 + 2323 41 30.168000 36.334000 11.777000 153 " " S A 2 "SER " " HB2" 1 0 0 1 2323 73.44 + 2324 42 27.960000 37.445000 13.154000 153 " " S A 2 "SER " " HG " 1 0 0 1 2324 73.44 + 2325 25 26.079000 36.404000 10.392000 154 " " E A 2 "GLU " " N " 7 0 0 1 2325 48.54 + 2326 3 24.639000 36.627000 10.266000 154 " " E A 2 "GLU " " CA " 6 0 0 1 2326 48.54 + 2327 2 23.871000 35.310000 10.446000 154 " " E A 2 "GLU " " C " 6 0 0 1 2327 48.54 + 2328 15 23.596000 34.584000 9.492000 154 " " E A 2 "GLU " " O " 8 0 0 1 2328 93.62 + 2329 3 24.320000 37.344000 8.930000 154 " " E A 2 "GLU " " CB " 6 0 0 1 2329 93.62 + 2330 3 24.141000 38.873000 9.053000 154 " " E A 2 "GLU " " CG " 6 0 0 1 2330 93.62 + 2331 2 25.389000 39.634000 9.511000 154 " " E A 2 "GLU " " CD " 6 0 0 1 2331 93.62 + 2332 15 25.760000 39.486000 10.696000 154 " " E A 2 "GLU " " OE1" 8 0 0 1 2332 93.62 + 2333 18 25.943000 40.371000 8.667000 154 " " E A 2 "GLU " " OE2" 8 -1 0 1 2333 93.62 + 2334 43 26.603000 36.552000 9.541000 154 " " E A 2 "GLU " " H " 1 0 0 1 2334 48.54 + 2335 41 24.330000 37.282000 11.083000 154 " " E A 2 "GLU " " HA " 1 0 0 1 2335 48.54 + 2336 41 23.406000 36.947000 8.487000 154 " " E A 2 "GLU " " HB3" 1 0 0 1 2336 93.62 + 2337 41 25.100000 37.135000 8.197000 154 " " E A 2 "GLU " " HB2" 1 0 0 1 2337 93.62 + 2338 41 23.330000 39.093000 9.748000 154 " " E A 2 "GLU " " HG3" 1 0 0 1 2338 93.62 + 2339 41 23.824000 39.272000 8.089000 154 " " E A 2 "GLU " " HG2" 1 0 0 1 2339 93.62 + 2340 25 23.591000 35.042000 11.723000 155 " " R A 2 "ARG " " N " 7 0 0 1 2340 22.8 + 2341 3 22.900000 33.881000 12.238000 155 " " R A 2 "ARG " " CA " 6 0 0 1 2341 22.8 + 2342 2 21.418000 34.214000 12.409000 155 " " R A 2 "ARG " " C " 6 0 0 1 2342 22.8 + 2343 15 21.035000 35.378000 12.269000 155 " " R A 2 "ARG " " O " 8 0 0 1 2343 95.24 + 2344 3 23.635000 33.435000 13.523000 155 " " R A 2 "ARG " " CB " 6 0 0 1 2344 95.24 + 2345 3 23.608000 34.401000 14.727000 155 " " R A 2 "ARG " " CG " 6 0 0 1 2345 95.24 + 2346 3 22.335000 34.327000 15.591000 155 " " R A 2 "ARG " " CD " 6 0 0 1 2346 95.24 + 2347 25 21.941000 32.955000 15.957000 155 " " R A 2 "ARG " " NE " 7 0 0 1 2347 95.24 + 2348 2 22.712000 31.975000 16.461000 155 " " R A 2 "ARG " " CZ " 6 0 0 1 2348 95.24 + 2349 25 24.005000 32.157000 16.756000 155 " " R A 2 "ARG " " NH1" 7 0 0 1 2349 95.24 + 2350 31 22.158000 30.778000 16.678000 155 " " R A 2 "ARG " " NH2" 7 1 0 1 2350 95.24 + 2351 43 23.897000 35.704000 12.421000 155 " " R A 2 "ARG " " H " 1 0 0 1 2351 22.8 + 2352 41 22.948000 33.093000 11.498000 155 " " R A 2 "ARG " " HA " 1 0 0 1 2352 22.8 + 2353 41 24.683000 33.302000 13.258000 155 " " R A 2 "ARG " " HB3" 1 0 0 1 2353 95.24 + 2354 41 23.311000 32.443000 13.831000 155 " " R A 2 "ARG " " HB2" 1 0 0 1 2354 95.24 + 2355 41 23.700000 35.414000 14.336000 155 " " R A 2 "ARG " " HG3" 1 0 0 1 2355 95.24 + 2356 41 24.490000 34.279000 15.354000 155 " " R A 2 "ARG " " HG2" 1 0 0 1 2356 95.24 + 2357 41 21.513000 34.921000 15.192000 155 " " R A 2 "ARG " " HD3" 1 0 0 1 2357 95.24 + 2358 41 22.581000 34.779000 16.553000 155 " " R A 2 "ARG " " HD2" 1 0 0 1 2358 95.24 + 2359 43 20.967000 32.743000 15.786000 155 " " R A 2 "ARG " " HE " 1 0 0 1 2359 95.24 + 2360 43 24.573000 31.390000 17.080000 155 " " R A 2 "ARG " "HH12" 1 0 0 1 2360 95.24 + 2361 43 24.429000 33.060000 16.601000 155 " " R A 2 "ARG " "HH11" 1 0 0 1 2361 95.24 + 2362 44 22.699000 30.016000 17.054000 155 " " R A 2 "ARG " "HH22" 1 0 0 1 2362 95.24 + 2363 44 21.181000 30.627000 16.463000 155 " " R A 2 "ARG " "HH21" 1 0 0 1 2363 95.24 + 2364 25 20.601000 33.183000 12.661000 156 " " Q A 2 "GLN " " N " 7 0 0 1 2364 69.39 + 2365 3 19.153000 33.326000 12.575000 156 " " Q A 2 "GLN " " CA " 6 0 0 1 2365 69.39 + 2366 2 18.345000 32.678000 13.700000 156 " " Q A 2 "GLN " " C " 6 0 0 1 2366 69.39 + 2367 15 18.852000 31.915000 14.524000 156 " " Q A 2 "GLN " " O " 8 0 0 1 2367 64.06 + 2368 3 18.668000 32.906000 11.163000 156 " " Q A 2 "GLN " " CB " 6 0 0 1 2368 64.06 + 2369 3 18.784000 34.048000 10.124000 156 " " Q A 2 "GLN " " CG " 6 0 0 1 2369 64.06 + 2370 2 17.640000 34.119000 9.105000 156 " " Q A 2 "GLN " " CD " 6 0 0 1 2370 64.06 + 2371 15 16.689000 33.340000 9.137000 156 " " Q A 2 "GLN " " OE1" 8 0 0 1 2371 64.06 + 2372 25 17.733000 35.078000 8.184000 156 " " Q A 2 "GLN " " NE2" 7 0 0 1 2372 64.06 + 2373 43 20.969000 32.246000 12.760000 156 " " Q A 2 "GLN " " H " 1 0 0 1 2373 69.39 + 2374 41 18.898000 34.379000 12.714000 156 " " Q A 2 "GLN " " HA " 1 0 0 1 2374 69.39 + 2375 41 17.636000 32.569000 11.224000 156 " " Q A 2 "GLN " " HB3" 1 0 0 1 2375 64.06 + 2376 41 19.219000 32.032000 10.812000 156 " " Q A 2 "GLN " " HB2" 1 0 0 1 2376 64.06 + 2377 41 19.740000 33.977000 9.602000 156 " " Q A 2 "GLN " " HG3" 1 0 0 1 2377 64.06 + 2378 41 18.788000 35.016000 10.624000 156 " " Q A 2 "GLN " " HG2" 1 0 0 1 2378 64.06 + 2379 43 16.993000 35.202000 7.497000 156 " " Q A 2 "GLN " "HE22" 1 0 0 1 2379 64.06 + 2380 43 18.523000 35.705000 8.171000 156 " " Q A 2 "GLN " "HE21" 1 0 0 1 2380 64.06 + 2381 25 17.067000 33.065000 13.644000 157 " " N A 2 "ASN " " N " 7 0 0 1 2381 72.68 + 2382 3 15.892000 32.567000 14.335000 157 " " N A 2 "ASN " " CA " 6 0 0 1 2382 72.68 + 2383 2 14.858000 32.157000 13.260000 157 " " N A 2 "ASN " " C " 6 0 0 1 2383 72.68 + 2384 15 15.068000 32.403000 12.070000 157 " " N A 2 "ASN " " O " 8 0 0 1 2384 101.24 + 2385 3 15.364000 33.658000 15.303000 157 " " N A 2 "ASN " " CB " 6 0 0 1 2385 101.24 + 2386 2 14.928000 34.973000 14.636000 157 " " N A 2 "ASN " " CG " 6 0 0 1 2386 101.24 + 2387 15 15.703000 35.613000 13.928000 157 " " N A 2 "ASN " " OD1" 8 0 0 1 2387 101.24 + 2388 25 13.683000 35.390000 14.872000 157 " " N A 2 "ASN " " ND2" 7 0 0 1 2388 101.24 + 2389 43 16.829000 33.727000 12.918000 157 " " N A 2 "ASN " " H " 1 0 0 1 2389 72.68 + 2390 41 16.155000 31.682000 14.913000 157 " " N A 2 "ASN " " HA " 1 0 0 1 2390 72.68 + 2391 41 16.138000 33.897000 16.033000 157 " " N A 2 "ASN " " HB3" 1 0 0 1 2391 101.24 + 2392 41 14.529000 33.254000 15.879000 157 " " N A 2 "ASN " " HB2" 1 0 0 1 2392 101.24 + 2393 43 13.356000 36.250000 14.457000 157 " " N A 2 "ASN " "HD22" 1 0 0 1 2393 101.24 + 2394 43 13.061000 34.855000 15.459000 157 " " N A 2 "ASN " "HD21" 1 0 0 1 2394 101.24 + 2395 25 13.768000 31.506000 13.691000 158 " " G A 2 "GLY " " N " 7 0 0 1 2395 34.26 + 2396 3 12.867000 30.777000 12.790000 158 " " G A 2 "GLY " " CA " 6 0 0 1 2396 34.26 + 2397 2 13.296000 29.301000 12.692000 158 " " G A 2 "GLY " " C " 6 0 0 1 2397 34.26 + 2398 15 12.761000 28.560000 11.867000 158 " " G A 2 "GLY " " O " 8 0 0 1 2398 19.47 + 2399 43 13.627000 31.371000 14.682000 158 " " G A 2 "GLY " " H " 1 0 0 1 2399 34.26 + 2400 41 12.830000 31.220000 11.793000 158 " " G A 2 "GLY " " HA3" 1 0 0 1 2400 34.26 + 2401 41 11.856000 30.824000 13.194000 158 " " G A 2 "GLY " " HA2" 1 0 0 1 2401 34.26 + 2402 25 14.251000 28.889000 13.544000 159 " " V A 2 "VAL " " N " 7 0 2 1 2402 23.8 + 2403 3 14.675000 27.521000 13.786000 159 " " V A 2 "VAL " " CA " 6 0 2 1 2403 23.8 + 2404 2 13.772000 26.839000 14.830000 159 " " V A 2 "VAL " " C " 6 0 2 1 2404 23.8 + 2405 15 13.464000 27.425000 15.868000 159 " " V A 2 "VAL " " O " 8 0 2 1 2405 16.79 + 2406 3 16.171000 27.453000 14.222000 159 " " V A 2 "VAL " " CB " 6 0 2 1 2406 16.79 + 2407 3 16.556000 28.445000 15.336000 159 " " V A 2 "VAL " " CG1" 6 0 2 1 2407 16.79 + 2408 3 16.636000 26.037000 14.618000 159 " " V A 2 "VAL " " CG2" 6 0 2 1 2408 16.79 + 2409 43 14.648000 29.570000 14.175000 159 " " V A 2 "VAL " " H " 1 0 2 1 2409 23.8 + 2410 41 14.589000 26.979000 12.852000 159 " " V A 2 "VAL " " HA " 1 0 2 1 2410 23.8 + 2411 41 16.756000 27.730000 13.344000 159 " " V A 2 "VAL " " HB " 1 0 2 1 2411 16.79 + 2412 41 17.612000 28.352000 15.592000 159 " " V A 2 "VAL " "HG11" 1 0 2 1 2412 16.79 + 2413 41 16.400000 29.475000 15.023000 159 " " V A 2 "VAL " "HG12" 1 0 2 1 2413 16.79 + 2414 41 15.984000 28.278000 16.248000 159 " " V A 2 "VAL " "HG13" 1 0 2 1 2414 16.79 + 2415 41 17.705000 26.015000 14.824000 159 " " V A 2 "VAL " "HG21" 1 0 2 1 2415 16.79 + 2416 41 16.144000 25.679000 15.522000 159 " " V A 2 "VAL " "HG22" 1 0 2 1 2416 16.79 + 2417 41 16.437000 25.320000 13.822000 159 " " V A 2 "VAL " "HG23" 1 0 2 1 2417 16.79 + 2418 25 13.403000 25.590000 14.518000 160 " " L A 2 "LEU " " N " 7 0 2 1 2418 30.59 + 2419 3 12.740000 24.636000 15.402000 160 " " L A 2 "LEU " " CA " 6 0 2 1 2419 30.59 + 2420 2 13.760000 23.552000 15.756000 160 " " L A 2 "LEU " " C " 6 0 2 1 2420 30.59 + 2421 15 14.477000 23.097000 14.867000 160 " " L A 2 "LEU " " O " 8 0 2 1 2421 31.37 + 2422 3 11.550000 24.000000 14.647000 160 " " L A 2 "LEU " " CB " 6 0 2 1 2422 31.37 + 2423 3 10.196000 24.705000 14.850000 160 " " L A 2 "LEU " " CG " 6 0 2 1 2423 31.37 + 2424 3 10.241000 26.226000 14.648000 160 " " L A 2 "LEU " " CD1" 6 0 2 1 2424 31.37 + 2425 3 9.113000 24.037000 13.982000 160 " " L A 2 "LEU " " CD2" 6 0 2 1 2425 31.37 + 2426 43 13.681000 25.216000 13.620000 160 " " L A 2 "LEU " " H " 1 0 2 1 2426 30.59 + 2427 41 12.395000 25.113000 16.322000 160 " " L A 2 "LEU " " HA " 1 0 2 1 2427 30.59 + 2428 41 11.416000 22.966000 14.974000 160 " " L A 2 "LEU " " HB3" 1 0 2 1 2428 31.37 + 2429 41 11.782000 23.936000 13.582000 160 " " L A 2 "LEU " " HB2" 1 0 2 1 2429 31.37 + 2430 41 9.917000 24.558000 15.891000 160 " " L A 2 "LEU " " HG " 1 0 2 1 2430 31.37 + 2431 41 9.234000 26.638000 14.607000 160 " " L A 2 "LEU " "HD11" 1 0 2 1 2431 31.37 + 2432 41 10.742000 26.723000 15.478000 160 " " L A 2 "LEU " "HD12" 1 0 2 1 2432 31.37 + 2433 41 10.760000 26.495000 13.727000 160 " " L A 2 "LEU " "HD13" 1 0 2 1 2433 31.37 + 2434 41 8.223000 23.804000 14.567000 160 " " L A 2 "LEU " "HD21" 1 0 2 1 2434 31.37 + 2435 41 8.806000 24.674000 13.155000 160 " " L A 2 "LEU " "HD22" 1 0 2 1 2435 31.37 + 2436 41 9.458000 23.100000 13.543000 160 " " L A 2 "LEU " "HD23" 1 0 2 1 2436 31.37 + 2437 25 13.780000 23.142000 17.032000 161 " " N A 2 "ASN " " N " 7 0 2 1 2437 27.04 + 2438 3 14.655000 22.090000 17.554000 161 " " N A 2 "ASN " " CA " 6 0 2 1 2438 27.04 + 2439 2 13.807000 21.027000 18.258000 161 " " N A 2 "ASN " " C " 6 0 2 1 2439 27.04 + 2440 15 12.820000 21.359000 18.917000 161 " " N A 2 "ASN " " O " 8 0 2 1 2440 29.7 + 2441 3 15.690000 22.710000 18.520000 161 " " N A 2 "ASN " " CB " 6 0 2 1 2441 29.7 + 2442 2 16.795000 23.520000 17.831000 161 " " N A 2 "ASN " " CG " 6 0 2 1 2442 29.7 + 2443 15 17.085000 23.337000 16.652000 161 " " N A 2 "ASN " " OD1" 8 0 2 1 2443 29.7 + 2444 25 17.450000 24.409000 18.578000 161 " " N A 2 "ASN " " ND2" 7 0 2 1 2444 29.7 + 2445 43 13.133000 23.542000 17.697000 161 " " N A 2 "ASN " " H " 1 0 2 1 2445 27.04 + 2446 41 15.182000 21.626000 16.723000 161 " " N A 2 "ASN " " HA " 1 0 2 1 2446 27.04 + 2447 41 16.190000 21.911000 19.066000 161 " " N A 2 "ASN " " HB3" 1 0 2 1 2447 29.7 + 2448 41 15.189000 23.322000 19.272000 161 " " N A 2 "ASN " " HB2" 1 0 2 1 2448 29.7 + 2449 43 18.193000 24.960000 18.173000 161 " " N A 2 "ASN " "HD22" 1 0 2 1 2449 29.7 + 2450 43 17.205000 24.545000 19.548000 161 " " N A 2 "ASN " "HD21" 1 0 2 1 2450 29.7 + 2451 25 14.233000 19.764000 18.108000 162 " " S A 2 "SER " " N " 7 0 2 1 2451 11.5 + 2452 3 13.549000 18.599000 18.652000 162 " " S A 2 "SER " " CA " 6 0 2 1 2452 11.5 + 2453 2 14.562000 17.475000 18.888000 162 " " S A 2 "SER " " C " 6 0 2 1 2453 11.5 + 2454 15 15.197000 17.025000 17.936000 162 " " S A 2 "SER " " O " 8 0 2 1 2454 29.57 + 2455 3 12.426000 18.167000 17.689000 162 " " S A 2 "SER " " CB " 6 0 2 1 2455 29.57 + 2456 16 11.708000 17.076000 18.219000 162 " " S A 2 "SER " " OG " 8 0 2 1 2456 29.57 + 2457 43 15.045000 19.573000 17.536000 162 " " S A 2 "SER " " H " 1 0 2 1 2457 11.5 + 2458 41 13.102000 18.866000 19.613000 162 " " S A 2 "SER " " HA " 1 0 2 1 2458 11.5 + 2459 41 12.831000 17.885000 16.716000 162 " " S A 2 "SER " " HB3" 1 0 2 1 2459 29.57 + 2460 41 11.734000 18.985000 17.512000 162 " " S A 2 "SER " " HB2" 1 0 2 1 2460 29.57 + 2461 42 10.888000 16.969000 17.723000 162 " " S A 2 "SER " " HG " 1 0 2 1 2461 29.57 + 2462 25 14.656000 17.029000 20.148000 163 " " W A 2 "TRP " " N " 7 0 2 1 2462 2.48 + 2463 3 15.413000 15.852000 20.557000 163 " " W A 2 "TRP " " CA " 6 0 2 1 2463 2.48 + 2464 2 14.497000 14.627000 20.563000 163 " " W A 2 "TRP " " C " 6 0 2 1 2464 2.48 + 2465 15 13.337000 14.731000 20.963000 163 " " W A 2 "TRP " " O " 8 0 2 1 2465 18.27 + 2466 3 15.976000 16.053000 21.979000 163 " " W A 2 "TRP " " CB " 6 0 2 1 2466 18.27 + 2467 2 17.125000 17.002000 22.133000 163 " " W A 2 "TRP " " CG " 6 0 2 1 2467 18.27 + 2468 2 18.402000 16.629000 22.379000 163 " " W A 2 "TRP " " CD1" 6 0 2 1 2468 18.27 + 2469 2 17.144000 18.461000 22.044000 163 " " W A 2 "TRP " " CD2" 6 0 2 1 2469 18.27 + 2470 25 19.197000 17.749000 22.490000 163 " " W A 2 "TRP " " NE1" 7 0 2 1 2470 18.27 + 2471 2 18.479000 18.907000 22.282000 163 " " W A 2 "TRP " " CE2" 6 0 2 1 2471 18.27 + 2472 2 16.171000 19.460000 21.798000 163 " " W A 2 "TRP " " CE3" 6 0 2 1 2472 18.27 + 2473 2 18.830000 20.269000 22.275000 163 " " W A 2 "TRP " " CZ2" 6 0 2 1 2473 18.27 + 2474 2 16.513000 20.827000 21.776000 163 " " W A 2 "TRP " " CZ3" 6 0 2 1 2474 18.27 + 2475 2 17.840000 21.233000 22.014000 163 " " W A 2 "TRP " " CH2" 6 0 2 1 2475 18.27 + 2476 43 14.075000 17.444000 20.861000 163 " " W A 2 "TRP " " H " 1 0 2 1 2476 2.48 + 2477 41 16.243000 15.669000 19.875000 163 " " W A 2 "TRP " " HA " 1 0 2 1 2477 2.48 + 2478 41 16.325000 15.095000 22.367000 163 " " W A 2 "TRP " " HB3" 1 0 2 1 2478 18.27 + 2479 41 15.182000 16.369000 22.657000 163 " " W A 2 "TRP " " HB2" 1 0 2 1 2479 18.27 + 2480 41 18.730000 15.607000 22.498000 163 " " W A 2 "TRP " " HD1" 1 0 2 1 2480 18.27 + 2481 43 20.179000 17.697000 22.729000 163 " " W A 2 "TRP " " HE1" 1 0 2 1 2481 18.27 + 2482 41 15.144000 19.178000 21.629000 163 " " W A 2 "TRP " " HE3" 1 0 2 1 2482 18.27 + 2483 41 19.847000 20.573000 22.465000 163 " " W A 2 "TRP " " HZ2" 1 0 2 1 2483 18.27 + 2484 41 15.751000 21.567000 21.582000 163 " " W A 2 "TRP " " HZ3" 1 0 2 1 2484 18.27 + 2485 41 18.098000 22.281000 22.000000 163 " " W A 2 "TRP " " HH2" 1 0 2 1 2485 18.27 + 2486 25 15.078000 13.467000 20.228000 164 " " T A 2 "THR " " N " 7 0 0 1 2486 17.2 + 2487 3 14.543000 12.167000 20.625000 164 " " T A 2 "THR " " CA " 6 0 0 1 2487 17.2 + 2488 2 14.874000 11.909000 22.111000 164 " " T A 2 "THR " " C " 6 0 0 1 2488 17.2 + 2489 15 15.791000 12.525000 22.660000 164 " " T A 2 "THR " " O " 8 0 0 1 2489 8.98 + 2490 3 15.172000 11.017000 19.782000 164 " " T A 2 "THR " " CB " 6 0 0 1 2490 8.98 + 2491 16 16.550000 10.806000 20.044000 164 " " T A 2 "THR " " OG1" 8 0 0 1 2491 8.98 + 2492 3 14.981000 11.191000 18.273000 164 " " T A 2 "THR " " CG2" 6 0 0 1 2492 8.98 + 2493 43 16.037000 13.460000 19.903000 164 " " T A 2 "THR " " H " 1 0 0 1 2493 17.2 + 2494 41 13.459000 12.157000 20.492000 164 " " T A 2 "THR " " HA " 1 0 0 1 2494 17.2 + 2495 41 14.667000 10.089000 20.056000 164 " " T A 2 "THR " " HB " 1 0 0 1 2495 8.98 + 2496 42 16.629000 10.384000 20.907000 164 " " T A 2 "THR " " HG1" 1 0 0 1 2496 8.98 + 2497 41 15.321000 10.311000 17.726000 164 " " T A 2 "THR " "HG21" 1 0 0 1 2497 8.98 + 2498 41 13.934000 11.357000 18.020000 164 " " T A 2 "THR " "HG22" 1 0 0 1 2498 8.98 + 2499 41 15.556000 12.040000 17.917000 164 " " T A 2 "THR " "HG23" 1 0 0 1 2499 8.98 + 2500 25 14.171000 10.940000 22.716000 165 " " D A 2 "ASP " " N " 7 0 0 1 2500 13.34 + 2501 3 14.651000 10.262000 23.923000 165 " " D A 2 "ASP " " CA " 6 0 0 1 2501 13.34 + 2502 2 15.886000 9.406000 23.626000 165 " " D A 2 "ASP " " C " 6 0 0 1 2502 13.34 + 2503 15 16.206000 9.144000 22.463000 165 " " D A 2 "ASP " " O " 8 0 0 1 2503 72.59 + 2504 3 13.568000 9.412000 24.631000 165 " " D A 2 "ASP " " CB " 6 0 0 1 2504 72.59 + 2505 2 12.552000 10.235000 25.424000 165 " " D A 2 "ASP " " CG " 6 0 0 1 2505 72.59 + 2506 15 12.010000 11.212000 24.866000 165 " " D A 2 "ASP " " OD1" 8 0 0 1 2506 72.59 + 2507 18 12.305000 9.843000 26.586000 165 " " D A 2 "ASP " " OD2" 8 -1 0 1 2507 72.59 + 2508 43 13.404000 10.494000 22.236000 165 " " D A 2 "ASP " " H " 1 0 0 1 2508 13.34 + 2509 41 14.973000 11.034000 24.626000 165 " " D A 2 "ASP " " HA " 1 0 0 1 2509 13.34 + 2510 41 14.022000 8.702000 25.325000 165 " " D A 2 "ASP " " HB3" 1 0 0 1 2510 72.59 + 2511 41 13.026000 8.805000 23.905000 165 " " D A 2 "ASP " " HB2" 1 0 0 1 2511 72.59 + 2512 25 16.536000 8.960000 24.709000 166 " " Q A 2 "GLN " " N " 7 0 0 1 2512 2.48 + 2513 3 17.579000 7.946000 24.674000 166 " " Q A 2 "GLN " " CA " 6 0 0 1 2513 2.48 + 2514 2 17.167000 6.708000 23.881000 166 " " Q A 2 "GLN " " C " 6 0 0 1 2514 2.48 + 2515 15 16.112000 6.132000 24.158000 166 " " Q A 2 "GLN " " O " 8 0 0 1 2515 9.42 + 2516 3 17.927000 7.509000 26.101000 166 " " Q A 2 "GLN " " CB " 6 0 0 1 2516 9.42 + 2517 3 19.209000 8.157000 26.625000 166 " " Q A 2 "GLN " " CG " 6 0 0 1 2517 9.42 + 2518 2 19.922000 7.333000 27.687000 166 " " Q A 2 "GLN " " CD " 6 0 0 1 2518 9.42 + 2519 15 19.889000 6.104000 27.680000 166 " " Q A 2 "GLN " " OE1" 8 0 0 1 2519 9.42 + 2520 25 20.605000 8.028000 28.586000 166 " " Q A 2 "GLN " " NE2" 7 0 0 1 2520 9.42 + 2521 43 16.212000 9.228000 25.627000 166 " " Q A 2 "GLN " " H " 1 0 0 1 2521 2.48 + 2522 41 18.442000 8.405000 24.194000 166 " " Q A 2 "GLN " " HA " 1 0 0 1 2522 2.48 + 2523 41 18.025000 6.422000 26.141000 166 " " Q A 2 "GLN " " HB3" 1 0 0 1 2523 9.42 + 2524 41 17.094000 7.749000 26.760000 166 " " Q A 2 "GLN " " HB2" 1 0 0 1 2524 9.42 + 2525 41 18.948000 9.123000 27.038000 166 " " Q A 2 "GLN " " HG3" 1 0 0 1 2525 9.42 + 2526 41 19.927000 8.326000 25.822000 166 " " Q A 2 "GLN " " HG2" 1 0 0 1 2526 9.42 + 2527 43 21.178000 7.559000 29.279000 166 " " Q A 2 "GLN " "HE22" 1 0 0 1 2527 9.42 + 2528 43 20.607000 9.037000 28.561000 166 " " Q A 2 "GLN " "HE21" 1 0 0 1 2528 9.42 + 2529 25 18.044000 6.315000 22.952000 167 " " D A 2 "ASP " " N " 7 0 0 1 2529 4.91 + 2530 3 17.940000 5.062000 22.226000 167 " " D A 2 "ASP " " CA " 6 0 0 1 2530 4.91 + 2531 2 18.022000 3.888000 23.216000 167 " " D A 2 "ASP " " C " 6 0 0 1 2531 4.91 + 2532 15 18.872000 3.882000 24.107000 167 " " D A 2 "ASP " " O " 8 0 0 1 2532 13.93 + 2533 3 19.030000 4.961000 21.147000 167 " " D A 2 "ASP " " CB " 6 0 0 1 2533 13.93 + 2534 2 18.951000 3.670000 20.327000 167 " " D A 2 "ASP " " CG " 6 0 0 1 2534 13.93 + 2535 15 17.881000 3.442000 19.723000 167 " " D A 2 "ASP " " OD1" 8 0 0 1 2535 13.93 + 2536 18 19.951000 2.923000 20.338000 167 " " D A 2 "ASP " " OD2" 8 -1 0 1 2536 13.93 + 2537 43 18.875000 6.866000 22.778000 167 " " D A 2 "ASP " " H " 1 0 0 1 2537 4.91 + 2538 41 16.965000 5.052000 21.735000 167 " " D A 2 "ASP " " HA " 1 0 0 1 2538 4.91 + 2539 41 19.992000 5.010000 21.650000 167 " " D A 2 "ASP " " HB3" 1 0 0 1 2539 13.93 + 2540 41 19.007000 5.813000 20.467000 167 " " D A 2 "ASP " " HB2" 1 0 0 1 2540 13.93 + 2541 25 17.131000 2.914000 23.011000 168 " " S A 2 "SER " " N " 7 0 0 1 2541 2.48 + 2542 3 17.022000 1.713000 23.829000 168 " " S A 2 "SER " " CA " 6 0 0 1 2542 2.48 + 2543 2 18.153000 0.688000 23.593000 168 " " S A 2 "SER " " C " 6 0 0 1 2543 2.48 + 2544 15 18.080000 -0.386000 24.186000 168 " " S A 2 "SER " " O " 8 0 0 1 2544 62.71 + 2545 3 15.626000 1.101000 23.594000 168 " " S A 2 "SER " " CB " 6 0 0 1 2545 62.71 + 2546 16 14.635000 1.912000 24.197000 168 " " S A 2 "SER " " OG " 8 0 0 1 2546 62.71 + 2547 43 16.495000 2.985000 22.230000 168 " " S A 2 "SER " " H " 1 0 0 1 2547 2.48 + 2548 41 17.094000 2.002000 24.879000 168 " " S A 2 "SER " " HA " 1 0 0 1 2548 2.48 + 2549 41 15.544000 0.110000 24.041000 168 " " S A 2 "SER " " HB3" 1 0 0 1 2549 62.71 + 2550 41 15.414000 0.988000 22.530000 168 " " S A 2 "SER " " HB2" 1 0 0 1 2550 62.71 + 2551 42 14.600000 2.747000 23.722000 168 " " S A 2 "SER " " HG " 1 0 0 1 2551 62.71 + 2552 25 19.165000 1.005000 22.759000 169 " " K A 2 "LYS " " N " 7 0 0 1 2552 11.28 + 2553 3 20.220000 0.061000 22.396000 169 " " K A 2 "LYS " " CA " 6 0 0 1 2553 11.28 + 2554 2 21.651000 0.614000 22.551000 169 " " K A 2 "LYS " " C " 6 0 0 1 2554 11.28 + 2555 15 22.519000 -0.184000 22.908000 169 " " K A 2 "LYS " " O " 8 0 0 1 2555 41.64 + 2556 3 19.948000 -0.500000 20.987000 169 " " K A 2 "LYS " " CB " 6 0 0 1 2556 41.64 + 2557 3 20.533000 -1.908000 20.809000 169 " " K A 2 "LYS " " CG " 6 0 0 1 2557 41.64 + 2558 3 20.261000 -2.515000 19.431000 169 " " K A 2 "LYS " " CD " 6 0 0 1 2558 41.64 + 2559 3 20.672000 -3.992000 19.384000 169 " " K A 2 "LYS " " CE " 6 0 0 1 2559 41.64 + 2560 32 20.547000 -4.542000 18.026000 169 " " K A 2 "LYS " " NZ " 7 1 0 1 2560 41.64 + 2561 43 19.175000 1.897000 22.282000 169 " " K A 2 "LYS " " H " 1 0 0 1 2561 11.28 + 2562 41 20.190000 -0.782000 23.088000 169 " " K A 2 "LYS " " HA " 1 0 0 1 2562 11.28 + 2563 41 20.308000 0.185000 20.217000 169 " " K A 2 "LYS " " HB3" 1 0 0 1 2563 41.64 + 2564 41 18.870000 -0.581000 20.834000 169 " " K A 2 "LYS " " HB2" 1 0 0 1 2564 41.64 + 2565 41 20.114000 -2.562000 21.575000 169 " " K A 2 "LYS " " HG3" 1 0 0 1 2565 41.64 + 2566 41 21.609000 -1.888000 20.982000 169 " " K A 2 "LYS " " HG2" 1 0 0 1 2566 41.64 + 2567 41 20.813000 -1.950000 18.678000 169 " " K A 2 "LYS " " HD3" 1 0 0 1 2567 41.64 + 2568 41 19.204000 -2.412000 19.181000 169 " " K A 2 "LYS " " HD2" 1 0 0 1 2568 41.64 + 2569 41 20.052000 -4.579000 20.064000 169 " " K A 2 "LYS " " HE3" 1 0 0 1 2569 41.64 + 2570 41 21.707000 -4.109000 19.708000 169 " " K A 2 "LYS " " HE2" 1 0 0 1 2570 41.64 + 2571 44 19.590000 -4.456000 17.714000 169 " " K A 2 "LYS " " HZ1" 1 0 0 1 2571 41.64 + 2572 44 21.152000 -4.031000 17.399000 169 " " K A 2 "LYS " " HZ2" 1 0 0 1 2572 41.64 + 2573 44 20.813000 -5.516000 18.031000 169 " " K A 2 "LYS " " HZ3" 1 0 0 1 2573 41.64 + 2574 25 21.892000 1.922000 22.329000 170 " " D A 2 "ASP " " N " 7 0 0 1 2574 2.48 + 2575 3 23.218000 2.532000 22.539000 170 " " D A 2 "ASP " " CA " 6 0 0 1 2575 2.48 + 2576 2 23.209000 3.619000 23.632000 170 " " D A 2 "ASP " " C " 6 0 0 1 2576 2.48 + 2577 15 24.288000 4.071000 24.004000 170 " " D A 2 "ASP " " O " 8 0 0 1 2577 47.8 + 2578 3 23.901000 3.042000 21.238000 170 " " D A 2 "ASP " " CB " 6 0 0 1 2578 47.8 + 2579 2 23.210000 4.167000 20.461000 170 " " D A 2 "ASP " " CG " 6 0 0 1 2579 47.8 + 2580 15 22.301000 4.814000 21.021000 170 " " D A 2 "ASP " " OD1" 8 0 0 1 2580 47.8 + 2581 18 23.689000 4.442000 19.341000 170 " " D A 2 "ASP " " OD2" 8 -1 0 1 2581 47.8 + 2582 43 21.169000 2.521000 21.948000 170 " " D A 2 "ASP " " H " 1 0 0 1 2582 2.48 + 2583 41 23.903000 1.784000 22.941000 170 " " D A 2 "ASP " " HA " 1 0 0 1 2583 2.48 + 2584 41 23.992000 2.191000 20.562000 170 " " D A 2 "ASP " " HB3" 1 0 0 1 2584 47.8 + 2585 41 24.913000 3.375000 21.473000 170 " " D A 2 "ASP " " HB2" 1 0 0 1 2585 47.8 + 2586 25 22.028000 4.028000 24.129000 171 " " S A 2 "SER " " N " 7 0 0 1 2586 44.37 + 2587 3 21.845000 5.041000 25.178000 171 " " S A 2 "SER " " CA " 6 0 0 1 2587 44.37 + 2588 2 22.247000 6.477000 24.759000 171 " " S A 2 "SER " " C " 6 0 0 1 2588 44.37 + 2589 15 22.510000 7.304000 25.631000 171 " " S A 2 "SER " " O " 8 0 0 1 2589 5.61 + 2590 3 22.514000 4.586000 26.504000 171 " " S A 2 "SER " " CB " 6 0 0 1 2590 5.61 + 2591 16 21.876000 3.428000 27.001000 171 " " S A 2 "SER " " OG " 8 0 0 1 2591 5.61 + 2592 43 21.178000 3.612000 23.776000 171 " " S A 2 "SER " " H " 1 0 0 1 2592 44.37 + 2593 41 20.772000 5.101000 25.355000 171 " " S A 2 "SER " " HA " 1 0 0 1 2593 44.37 + 2594 41 22.433000 5.355000 27.273000 171 " " S A 2 "SER " " HB3" 1 0 0 1 2594 5.61 + 2595 41 23.579000 4.387000 26.395000 171 " " S A 2 "SER " " HB2" 1 0 0 1 2595 5.61 + 2596 42 20.993000 3.671000 27.293000 171 " " S A 2 "SER " " HG " 1 0 0 1 2596 5.61 + 2597 25 22.277000 6.757000 23.443000 172 " " T A 2 "THR " " N " 7 0 0 1 2597 6.12 + 2598 3 22.592000 8.072000 22.874000 172 " " T A 2 "THR " " CA " 6 0 0 1 2598 6.12 + 2599 2 21.311000 8.812000 22.443000 172 " " T A 2 "THR " " C " 6 0 0 1 2599 6.12 + 2600 15 20.230000 8.226000 22.400000 172 " " T A 2 "THR " " O " 8 0 0 1 2600 2.48 + 2601 3 23.517000 7.949000 21.629000 172 " " T A 2 "THR " " CB " 6 0 0 1 2601 2.48 + 2602 16 22.858000 7.445000 20.483000 172 " " T A 2 "THR " " OG1" 8 0 0 1 2602 2.48 + 2603 3 24.809000 7.166000 21.884000 172 " " T A 2 "THR " " CG2" 6 0 0 1 2603 2.48 + 2604 43 22.055000 6.031000 22.773000 172 " " T A 2 "THR " " H " 1 0 0 1 2604 6.12 + 2605 41 23.104000 8.691000 23.612000 172 " " T A 2 "THR " " HA " 1 0 0 1 2605 6.12 + 2606 41 23.832000 8.952000 21.346000 172 " " T A 2 "THR " " HB " 1 0 0 1 2606 2.48 + 2607 42 22.672000 6.504000 20.615000 172 " " T A 2 "THR " " HG1" 1 0 0 1 2607 2.48 + 2608 41 25.423000 7.119000 20.985000 172 " " T A 2 "THR " "HG21" 1 0 0 1 2608 2.48 + 2609 41 25.395000 7.660000 22.657000 172 " " T A 2 "THR " "HG22" 1 0 0 1 2609 2.48 + 2610 41 24.616000 6.144000 22.208000 172 " " T A 2 "THR " "HG23" 1 0 0 1 2610 2.48 + 2611 25 21.482000 10.102000 22.126000 173 " " Y A 2 "TYR " " N " 7 0 2 1 2611 20.12 + 2612 3 20.435000 11.013000 21.686000 173 " " Y A 2 "TYR " " CA " 6 0 2 1 2612 20.12 + 2613 2 20.674000 11.433000 20.242000 173 " " Y A 2 "TYR " " C " 6 0 2 1 2613 20.12 + 2614 15 21.819000 11.631000 19.840000 173 " " Y A 2 "TYR " " O " 8 0 2 1 2614 17.61 + 2615 3 20.479000 12.269000 22.568000 173 " " Y A 2 "TYR " " CB " 6 0 2 1 2615 17.61 + 2616 2 20.162000 11.988000 24.016000 173 " " Y A 2 "TYR " " CG " 6 0 2 1 2616 17.61 + 2617 2 21.201000 11.779000 24.945000 173 " " Y A 2 "TYR " " CD1" 6 0 2 1 2617 17.61 + 2618 2 18.818000 11.927000 24.427000 173 " " Y A 2 "TYR " " CD2" 6 0 2 1 2618 17.61 + 2619 2 20.892000 11.571000 26.301000 173 " " Y A 2 "TYR " " CE1" 6 0 2 1 2619 17.61 + 2620 2 18.510000 11.717000 25.780000 173 " " Y A 2 "TYR " " CE2" 6 0 2 1 2620 17.61 + 2621 2 19.546000 11.578000 26.719000 173 " " Y A 2 "TYR " " CZ " 6 0 2 1 2621 17.61 + 2622 16 19.226000 11.472000 28.037000 173 " " Y A 2 "TYR " " OH " 8 0 2 1 2622 17.61 + 2623 43 22.411000 10.504000 22.171000 173 " " Y A 2 "TYR " " H " 1 0 2 1 2623 20.12 + 2624 41 19.450000 10.549000 21.770000 173 " " Y A 2 "TYR " " HA " 1 0 2 1 2624 20.12 + 2625 41 19.760000 13.007000 22.206000 173 " " Y A 2 "TYR " " HB3" 1 0 2 1 2625 17.61 + 2626 41 21.457000 12.753000 22.504000 173 " " Y A 2 "TYR " " HB2" 1 0 2 1 2626 17.61 + 2627 41 22.233000 11.810000 24.627000 173 " " Y A 2 "TYR " " HD1" 1 0 2 1 2627 17.61 + 2628 41 18.026000 12.060000 23.708000 173 " " Y A 2 "TYR " " HD2" 1 0 2 1 2628 17.61 + 2629 41 21.684000 11.463000 27.024000 173 " " Y A 2 "TYR " " HE1" 1 0 2 1 2629 17.61 + 2630 41 17.478000 11.699000 26.099000 173 " " Y A 2 "TYR " " HE2" 1 0 2 1 2630 17.61 + 2631 42 19.978000 11.483000 28.644000 173 " " Y A 2 "TYR " " HH " 1 0 2 1 2631 17.61 + 2632 25 19.568000 11.652000 19.528000 174 " " S A 2 "SER " " N " 7 0 2 1 2632 9.08 + 2633 3 19.551000 12.304000 18.229000 174 " " S A 2 "SER " " CA " 6 0 2 1 2633 9.08 + 2634 2 18.752000 13.606000 18.356000 174 " " S A 2 "SER " " C " 6 0 2 1 2634 9.08 + 2635 15 17.870000 13.711000 19.210000 174 " " S A 2 "SER " " O " 8 0 2 1 2635 36.76 + 2636 3 18.932000 11.337000 17.203000 174 " " S A 2 "SER " " CB " 6 0 2 1 2636 36.76 + 2637 16 19.839000 10.286000 16.942000 174 " " S A 2 "SER " " OG " 8 0 2 1 2637 36.76 + 2638 43 18.660000 11.463000 19.931000 174 " " S A 2 "SER " " H " 1 0 2 1 2638 9.08 + 2639 41 20.559000 12.573000 17.919000 174 " " S A 2 "SER " " HA " 1 0 2 1 2639 9.08 + 2640 41 18.744000 11.844000 16.258000 174 " " S A 2 "SER " " HB3" 1 0 2 1 2640 36.76 + 2641 41 17.981000 10.931000 17.549000 174 " " S A 2 "SER " " HB2" 1 0 2 1 2641 36.76 + 2642 42 19.361000 9.549000 16.549000 174 " " S A 2 "SER " " HG " 1 0 2 1 2642 36.76 + 2643 25 19.070000 14.571000 17.485000 175 " " M A 2 "MET " " N " 7 0 2 1 2643 2.48 + 2644 3 18.429000 15.880000 17.424000 175 " " M A 2 "MET " " CA " 6 0 2 1 2644 2.48 + 2645 2 18.153000 16.251000 15.961000 175 " " M A 2 "MET " " C " 6 0 2 1 2645 2.48 + 2646 15 18.714000 15.645000 15.046000 175 " " M A 2 "MET " " O " 8 0 2 1 2646 46.25 + 2647 3 19.313000 16.886000 18.197000 175 " " M A 2 "MET " " CB " 6 0 2 1 2647 46.25 + 2648 3 18.708000 18.268000 18.497000 175 " " M A 2 "MET " " CG " 6 0 2 1 2648 46.25 + 2649 49 19.249000 19.622000 17.420000 175 " " M A 2 "MET " " SD " 16 0 2 1 2649 46.25 + 2650 3 19.204000 20.978000 18.619000 175 " " M A 2 "MET " " CE " 6 0 2 1 2650 46.25 + 2651 43 19.820000 14.420000 16.822000 175 " " M A 2 "MET " " H " 1 0 2 1 2651 2.48 + 2652 41 17.459000 15.819000 17.916000 175 " " M A 2 "MET " " HA " 1 0 2 1 2652 2.48 + 2653 41 20.263000 17.009000 17.679000 175 " " M A 2 "MET " " HB3" 1 0 2 1 2653 46.25 + 2654 41 19.563000 16.444000 19.161000 175 " " M A 2 "MET " " HB2" 1 0 2 1 2654 46.25 + 2655 41 18.999000 18.538000 19.512000 175 " " M A 2 "MET " " HG3" 1 0 2 1 2655 46.25 + 2656 41 17.620000 18.231000 18.507000 175 " " M A 2 "MET " " HG2" 1 0 2 1 2656 46.25 + 2657 41 19.377000 21.929000 18.117000 175 " " M A 2 "MET " " HE1" 1 0 2 1 2657 46.25 + 2658 41 18.236000 21.010000 19.113000 175 " " M A 2 "MET " " HE2" 1 0 2 1 2658 46.25 + 2659 41 19.973000 20.842000 19.378000 175 " " M A 2 "MET " " HE3" 1 0 2 1 2659 46.25 + 2660 25 17.254000 17.222000 15.777000 176 " " S A 2 "SER " " N " 7 0 2 1 2660 2.48 + 2661 3 16.822000 17.730000 14.486000 176 " " S A 2 "SER " " CA " 6 0 2 1 2661 2.48 + 2662 2 16.585000 19.229000 14.635000 176 " " S A 2 "SER " " C " 6 0 2 1 2662 2.48 + 2663 15 15.663000 19.626000 15.346000 176 " " S A 2 "SER " " O " 8 0 2 1 2663 2.48 + 2664 3 15.559000 16.978000 14.023000 176 " " S A 2 "SER " " CB " 6 0 2 1 2664 2.48 + 2665 16 15.018000 17.538000 12.841000 176 " " S A 2 "SER " " OG " 8 0 2 1 2665 2.48 + 2666 43 16.808000 17.643000 16.581000 176 " " S A 2 "SER " " H " 1 0 2 1 2666 2.48 + 2667 41 17.606000 17.575000 13.743000 176 " " S A 2 "SER " " HA " 1 0 2 1 2667 2.48 + 2668 41 14.790000 16.986000 14.797000 176 " " S A 2 "SER " " HB3" 1 0 2 1 2668 2.48 + 2669 41 15.806000 15.937000 13.826000 176 " " S A 2 "SER " " HB2" 1 0 2 1 2669 2.48 + 2670 42 14.631000 18.389000 13.062000 176 " " S A 2 "SER " " HG " 1 0 2 1 2670 2.48 + 2671 25 17.413000 20.013000 13.936000 177 " " S A 2 "SER " " N " 7 0 2 1 2671 23.16 + 2672 3 17.311000 21.459000 13.840000 177 " " S A 2 "SER " " CA " 6 0 2 1 2672 23.16 + 2673 2 16.807000 21.814000 12.434000 177 " " S A 2 "SER " " C " 6 0 2 1 2673 23.16 + 2674 15 17.319000 21.262000 11.463000 177 " " S A 2 "SER " " O " 8 0 2 1 2674 33.2 + 2675 3 18.696000 22.052000 14.139000 177 " " S A 2 "SER " " CB " 6 0 2 1 2675 33.2 + 2676 16 18.620000 23.455000 14.226000 177 " " S A 2 "SER " " OG " 8 0 2 1 2676 33.2 + 2677 43 18.134000 19.589000 13.364000 177 " " S A 2 "SER " " H " 1 0 2 1 2677 23.16 + 2678 41 16.608000 21.831000 14.583000 177 " " S A 2 "SER " " HA " 1 0 2 1 2678 23.16 + 2679 41 19.424000 21.774000 13.377000 177 " " S A 2 "SER " " HB3" 1 0 2 1 2679 33.2 + 2680 41 19.072000 21.675000 15.091000 177 " " S A 2 "SER " " HB2" 1 0 2 1 2680 33.2 + 2681 42 18.144000 23.672000 15.036000 177 " " S A 2 "SER " " HG " 1 0 2 1 2681 33.2 + 2682 25 15.803000 22.698000 12.346000 178 " " T A 2 "THR " " N " 7 0 2 1 2682 19.99 + 2683 3 15.137000 23.040000 11.090000 178 " " T A 2 "THR " " CA " 6 0 2 1 2683 19.99 + 2684 2 14.847000 24.546000 11.029000 178 " " T A 2 "THR " " C " 6 0 2 1 2684 19.99 + 2685 15 13.865000 25.006000 11.610000 178 " " T A 2 "THR " " O " 8 0 2 1 2685 22.87 + 2686 3 13.800000 22.268000 10.905000 178 " " T A 2 "THR " " CB " 6 0 2 1 2686 22.87 + 2687 16 14.041000 20.877000 10.963000 178 " " T A 2 "THR " " OG1" 8 0 2 1 2687 22.87 + 2688 3 13.084000 22.555000 9.571000 178 " " T A 2 "THR " " CG2" 6 0 2 1 2688 22.87 + 2689 43 15.409000 23.098000 13.189000 178 " " T A 2 "THR " " H " 1 0 2 1 2689 19.99 + 2690 41 15.784000 22.795000 10.249000 178 " " T A 2 "THR " " HA " 1 0 2 1 2690 19.99 + 2691 41 13.120000 22.498000 11.727000 178 " " T A 2 "THR " " HB " 1 0 2 1 2691 22.87 + 2692 42 14.443000 20.677000 11.812000 178 " " T A 2 "THR " " HG1" 1 0 2 1 2692 22.87 + 2693 41 12.203000 21.923000 9.453000 178 " " T A 2 "THR " "HG21" 1 0 2 1 2693 22.87 + 2694 41 12.744000 23.587000 9.502000 178 " " T A 2 "THR " "HG22" 1 0 2 1 2694 22.87 + 2695 41 13.746000 22.367000 8.725000 178 " " T A 2 "THR " "HG23" 1 0 2 1 2695 22.87 + 2696 25 15.701000 25.272000 10.295000 179 " " L A 2 "LEU " " N " 7 0 2 1 2696 38.22 + 2697 3 15.523000 26.677000 9.935000 179 " " L A 2 "LEU " " CA " 6 0 2 1 2697 38.22 + 2698 2 14.610000 26.765000 8.701000 179 " " L A 2 "LEU " " C " 6 0 2 1 2698 38.22 + 2699 15 14.930000 26.153000 7.683000 179 " " L A 2 "LEU " " O " 8 0 2 1 2699 46.67 + 2700 3 16.932000 27.267000 9.724000 179 " " L A 2 "LEU " " CB " 6 0 2 1 2700 46.67 + 2701 3 17.027000 28.678000 9.119000 179 " " L A 2 "LEU " " CG " 6 0 2 1 2701 46.67 + 2702 3 16.383000 29.742000 10.032000 179 " " L A 2 "LEU " " CD1" 6 0 2 1 2702 46.67 + 2703 3 18.489000 29.005000 8.758000 179 " " L A 2 "LEU " " CD2" 6 0 2 1 2703 46.67 + 2704 43 16.473000 24.805000 9.840000 179 " " L A 2 "LEU " " H " 1 0 2 1 2704 38.22 + 2705 41 15.050000 27.220000 10.752000 179 " " L A 2 "LEU " " HA " 1 0 2 1 2705 38.22 + 2706 41 17.492000 26.585000 9.091000 179 " " L A 2 "LEU " " HB3" 1 0 2 1 2706 46.67 + 2707 41 17.451000 27.266000 10.682000 179 " " L A 2 "LEU " " HB2" 1 0 2 1 2707 46.67 + 2708 41 16.489000 28.670000 8.173000 179 " " L A 2 "LEU " " HG " 1 0 2 1 2708 46.67 + 2709 41 16.979000 30.651000 10.095000 179 " " L A 2 "LEU " "HD11" 1 0 2 1 2709 46.67 + 2710 41 15.403000 30.035000 9.655000 179 " " L A 2 "LEU " "HD12" 1 0 2 1 2710 46.67 + 2711 41 16.241000 29.379000 11.051000 179 " " L A 2 "LEU " "HD13" 1 0 2 1 2711 46.67 + 2712 41 18.895000 29.824000 9.349000 179 " " L A 2 "LEU " "HD21" 1 0 2 1 2712 46.67 + 2713 41 19.152000 28.154000 8.908000 179 " " L A 2 "LEU " "HD22" 1 0 2 1 2713 46.67 + 2714 41 18.571000 29.274000 7.706000 179 " " L A 2 "LEU " "HD23" 1 0 2 1 2714 46.67 + 2715 25 13.489000 27.498000 8.827000 180 " " T A 2 "THR " " N " 7 0 2 1 2715 22.22 + 2716 3 12.449000 27.574000 7.798000 180 " " T A 2 "THR " " CA " 6 0 2 1 2716 22.22 + 2717 2 12.292000 29.012000 7.277000 180 " " T A 2 "THR " " C " 6 0 2 1 2717 22.22 + 2718 15 11.497000 29.797000 7.793000 180 " " T A 2 "THR " " O " 8 0 2 1 2718 57.14 + 2719 3 11.084000 27.039000 8.304000 180 " " T A 2 "THR " " CB " 6 0 2 1 2719 57.14 + 2720 16 11.255000 25.706000 8.744000 180 " " T A 2 "THR " " OG1" 8 0 2 1 2720 57.14 + 2721 3 9.965000 27.038000 7.242000 180 " " T A 2 "THR " " CG2" 6 0 2 1 2721 57.14 + 2722 43 13.300000 27.987000 9.692000 180 " " T A 2 "THR " " H " 1 0 2 1 2722 22.22 + 2723 41 12.721000 26.957000 6.942000 180 " " T A 2 "THR " " HA " 1 0 2 1 2723 22.22 + 2724 41 10.753000 27.617000 9.169000 180 " " T A 2 "THR " " HB " 1 0 2 1 2724 57.14 + 2725 42 11.863000 25.711000 9.488000 180 " " T A 2 "THR " " HG1" 1 0 2 1 2725 57.14 + 2726 41 9.083000 26.507000 7.602000 180 " " T A 2 "THR " "HG21" 1 0 2 1 2726 57.14 + 2727 41 9.644000 28.048000 6.987000 180 " " T A 2 "THR " "HG22" 1 0 2 1 2727 57.14 + 2728 41 10.290000 26.557000 6.319000 180 " " T A 2 "THR " "HG23" 1 0 2 1 2728 57.14 + 2729 25 13.060000 29.292000 6.218000 181 " " L A 2 "LEU " " N " 7 0 2 1 2729 29.73 + 2730 3 12.948000 30.463000 5.352000 181 " " L A 2 "LEU " " CA " 6 0 2 1 2730 29.73 + 2731 2 11.803000 30.245000 4.345000 181 " " L A 2 "LEU " " C " 6 0 2 1 2731 29.73 + 2732 15 11.291000 29.134000 4.215000 181 " " L A 2 "LEU " " O " 8 0 2 1 2732 23.05 + 2733 3 14.299000 30.616000 4.610000 181 " " L A 2 "LEU " " CB " 6 0 2 1 2733 23.05 + 2734 3 15.394000 31.418000 5.347000 181 " " L A 2 "LEU " " CG " 6 0 2 1 2734 23.05 + 2735 3 15.504000 31.174000 6.862000 181 " " L A 2 "LEU " " CD1" 6 0 2 1 2735 23.05 + 2736 3 16.742000 31.172000 4.656000 181 " " L A 2 "LEU " " CD2" 6 0 2 1 2736 23.05 + 2737 43 13.672000 28.569000 5.869000 181 " " L A 2 "LEU " " H " 1 0 2 1 2737 29.73 + 2738 41 12.733000 31.359000 5.939000 181 " " L A 2 "LEU " " HA " 1 0 2 1 2738 29.73 + 2739 41 14.153000 31.108000 3.648000 181 " " L A 2 "LEU " " HB3" 1 0 2 1 2739 23.05 + 2740 41 14.676000 29.623000 4.357000 181 " " L A 2 "LEU " " HB2" 1 0 2 1 2740 23.05 + 2741 41 15.145000 32.472000 5.225000 181 " " L A 2 "LEU " " HG " 1 0 2 1 2741 23.05 + 2742 41 16.517000 31.341000 7.226000 181 " " L A 2 "LEU " "HD11" 1 0 2 1 2742 23.05 + 2743 41 14.853000 31.851000 7.416000 181 " " L A 2 "LEU " "HD12" 1 0 2 1 2743 23.05 + 2744 41 15.239000 30.158000 7.134000 181 " " L A 2 "LEU " "HD13" 1 0 2 1 2744 23.05 + 2745 41 17.401000 32.036000 4.734000 181 " " L A 2 "LEU " "HD21" 1 0 2 1 2745 23.05 + 2746 41 17.244000 30.313000 5.100000 181 " " L A 2 "LEU " "HD22" 1 0 2 1 2746 23.05 + 2747 41 16.618000 30.953000 3.597000 181 " " L A 2 "LEU " "HD23" 1 0 2 1 2747 23.05 + 2748 25 11.445000 31.304000 3.611000 182 " " T A 2 "THR " " N " 7 0 2 1 2748 39.16 + 2749 3 10.683000 31.188000 2.367000 182 " " T A 2 "THR " " CA " 6 0 2 1 2749 39.16 + 2750 2 11.661000 31.163000 1.177000 182 " " T A 2 "THR " " C " 6 0 2 1 2750 39.16 + 2751 15 12.849000 31.438000 1.351000 182 " " T A 2 "THR " " O " 8 0 2 1 2751 46.09 + 2752 3 9.707000 32.381000 2.201000 182 " " T A 2 "THR " " CB " 6 0 2 1 2752 46.09 + 2753 16 10.383000 33.625000 2.186000 182 " " T A 2 "THR " " OG1" 8 0 2 1 2753 46.09 + 2754 3 8.616000 32.400000 3.281000 182 " " T A 2 "THR " " CG2" 6 0 2 1 2754 46.09 + 2755 43 11.876000 32.203000 3.775000 182 " " T A 2 "THR " " H " 1 0 2 1 2755 39.16 + 2756 41 10.106000 30.265000 2.347000 182 " " T A 2 "THR " " HA " 1 0 2 1 2756 39.16 + 2757 41 9.201000 32.302000 1.238000 182 " " T A 2 "THR " " HB " 1 0 2 1 2757 46.09 + 2758 42 9.734000 34.321000 2.052000 182 " " T A 2 "THR " " HG1" 1 0 2 1 2758 46.09 + 2759 41 7.912000 33.216000 3.113000 182 " " T A 2 "THR " "HG21" 1 0 2 1 2759 46.09 + 2760 41 8.048000 31.470000 3.277000 182 " " T A 2 "THR " "HG22" 1 0 2 1 2760 46.09 + 2761 41 9.039000 32.527000 4.277000 182 " " T A 2 "THR " "HG23" 1 0 2 1 2761 46.09 + 2762 25 11.137000 30.838000 -0.017000 183 " " K A 2 "LYS " " N " 7 0 1 1 2762 81.54 + 2763 3 11.862000 30.862000 -1.291000 183 " " K A 2 "LYS " " CA " 6 0 1 1 2763 81.54 + 2764 2 12.544000 32.218000 -1.577000 183 " " K A 2 "LYS " " C " 6 0 1 1 2764 81.54 + 2765 15 13.653000 32.203000 -2.105000 183 " " K A 2 "LYS " " O " 8 0 1 1 2765 54.66 + 2766 3 10.918000 30.407000 -2.425000 183 " " K A 2 "LYS " " CB " 6 0 1 1 2766 54.66 + 2767 3 11.546000 30.400000 -3.834000 183 " " K A 2 "LYS " " CG " 6 0 1 1 2767 54.66 + 2768 3 10.572000 29.890000 -4.904000 183 " " K A 2 "LYS " " CD " 6 0 1 1 2768 54.66 + 2769 3 11.105000 29.956000 -6.344000 183 " " K A 2 "LYS " " CE " 6 0 1 1 2769 54.66 + 2770 32 12.197000 28.998000 -6.581000 183 " " K A 2 "LYS " " NZ " 7 1 1 1 2770 54.66 + 2771 43 10.153000 30.605000 -0.075000 183 " " K A 2 "LYS " " H " 1 0 1 1 2771 81.54 + 2772 41 12.649000 30.112000 -1.211000 183 " " K A 2 "LYS " " HA " 1 0 1 1 2772 81.54 + 2773 41 10.036000 31.050000 -2.436000 183 " " K A 2 "LYS " " HB3" 1 0 1 1 2773 54.66 + 2774 41 10.557000 29.403000 -2.197000 183 " " K A 2 "LYS " " HB2" 1 0 1 1 2774 54.66 + 2775 41 12.451000 29.790000 -3.827000 183 " " K A 2 "LYS " " HG3" 1 0 1 1 2775 54.66 + 2776 41 11.850000 31.410000 -4.107000 183 " " K A 2 "LYS " " HG2" 1 0 1 1 2776 54.66 + 2777 41 9.644000 30.460000 -4.845000 183 " " K A 2 "LYS " " HD3" 1 0 1 1 2777 54.66 + 2778 41 10.306000 28.862000 -4.671000 183 " " K A 2 "LYS " " HD2" 1 0 1 1 2778 54.66 + 2779 41 11.441000 30.964000 -6.592000 183 " " K A 2 "LYS " " HE3" 1 0 1 1 2779 54.66 + 2780 41 10.296000 29.712000 -7.033000 183 " " K A 2 "LYS " " HE2" 1 0 1 1 2780 54.66 + 2781 44 11.918000 28.070000 -6.299000 183 " " K A 2 "LYS " " HZ1" 1 0 1 1 2781 54.66 + 2782 44 12.435000 28.998000 -7.563000 183 " " K A 2 "LYS " " HZ2" 1 0 1 1 2782 54.66 + 2783 44 13.021000 29.286000 -6.064000 183 " " K A 2 "LYS " " HZ3" 1 0 1 1 2783 54.66 + 2784 25 11.917000 33.337000 -1.152000 184 " " D A 2 "ASP " " N " 7 0 1 1 2784 57.21 + 2785 3 12.497000 34.687000 -1.130000 184 " " D A 2 "ASP " " CA " 6 0 1 1 2785 57.21 + 2786 2 13.872000 34.751000 -0.460000 184 " " D A 2 "ASP " " C " 6 0 1 1 2786 57.21 + 2787 15 14.856000 34.961000 -1.166000 184 " " D A 2 "ASP " " O " 8 0 1 1 2787 78.03 + 2788 3 11.597000 35.779000 -0.506000 184 " " D A 2 "ASP " " CB " 6 0 1 1 2788 78.03 + 2789 2 10.274000 36.004000 -1.223000 184 " " D A 2 "ASP " " CG " 6 0 1 1 2789 78.03 + 2790 15 10.219000 37.006000 -1.969000 184 " " D A 2 "ASP " " OD1" 8 0 1 1 2790 78.03 + 2791 18 9.340000 35.211000 -0.981000 184 " " D A 2 "ASP " " OD2" 8 -1 1 1 2791 78.03 + 2792 43 10.997000 33.259000 -0.741000 184 " " D A 2 "ASP " " H " 1 0 1 1 2792 57.21 + 2793 41 12.646000 34.958000 -2.177000 184 " " D A 2 "ASP " " HA " 1 0 1 1 2793 57.21 + 2794 41 12.124000 36.734000 -0.488000 184 " " D A 2 "ASP " " HB3" 1 0 1 1 2794 78.03 + 2795 41 11.378000 35.575000 0.542000 184 " " D A 2 "ASP " " HB2" 1 0 1 1 2795 78.03 + 2796 25 13.911000 34.573000 0.873000 185 " " E A 2 "GLU " " N " 7 0 1 1 2796 47.48 + 2797 3 15.147000 34.657000 1.649000 185 " " E A 2 "GLU " " CA " 6 0 1 1 2797 47.48 + 2798 2 16.117000 33.494000 1.392000 185 " " E A 2 "GLU " " C " 6 0 1 1 2798 47.48 + 2799 15 17.328000 33.701000 1.489000 185 " " E A 2 "GLU " " O " 8 0 1 1 2799 71.96 + 2800 3 14.854000 34.914000 3.139000 185 " " E A 2 "GLU " " CB " 6 0 1 1 2800 71.96 + 2801 3 16.144000 35.071000 3.969000 185 " " E A 2 "GLU " " CG " 6 0 1 1 2801 71.96 + 2802 2 16.024000 36.104000 5.077000 185 " " E A 2 "GLU " " CD " 6 0 1 1 2802 71.96 + 2803 15 16.277000 37.285000 4.754000 185 " " E A 2 "GLU " " OE1" 8 0 1 1 2803 71.96 + 2804 18 15.693000 35.701000 6.212000 185 " " E A 2 "GLU " " OE2" 8 -1 1 1 2804 71.96 + 2805 43 13.061000 34.377000 1.384000 185 " " E A 2 "GLU " " H " 1 0 1 1 2805 47.48 + 2806 41 15.660000 35.551000 1.300000 185 " " E A 2 "GLU " " HA " 1 0 1 1 2806 47.48 + 2807 41 14.254000 34.099000 3.546000 185 " " E A 2 "GLU " " HB3" 1 0 1 1 2807 71.96 + 2808 41 14.235000 35.808000 3.227000 185 " " E A 2 "GLU " " HB2" 1 0 1 1 2808 71.96 + 2809 41 16.945000 35.418000 3.324000 185 " " E A 2 "GLU " " HG3" 1 0 1 1 2809 71.96 + 2810 41 16.477000 34.119000 4.376000 185 " " E A 2 "GLU " " HG2" 1 0 1 1 2810 71.96 + 2811 25 15.586000 32.325000 0.994000 186 " " Y A 2 "TYR " " N " 7 0 1 1 2811 66.11 + 2812 3 16.394000 31.198000 0.549000 186 " " Y A 2 "TYR " " CA " 6 0 1 1 2812 66.11 + 2813 2 17.269000 31.550000 -0.667000 186 " " Y A 2 "TYR " " C " 6 0 1 1 2813 66.11 + 2814 15 18.478000 31.332000 -0.618000 186 " " Y A 2 "TYR " " O " 8 0 1 1 2814 36.46 + 2815 3 15.544000 29.934000 0.331000 186 " " Y A 2 "TYR " " CB " 6 0 1 1 2815 36.46 + 2816 2 16.368000 28.726000 -0.078000 186 " " Y A 2 "TYR " " CG " 6 0 1 1 2816 36.46 + 2817 2 17.439000 28.306000 0.738000 186 " " Y A 2 "TYR " " CD1" 6 0 1 1 2817 36.46 + 2818 2 16.119000 28.065000 -1.298000 186 " " Y A 2 "TYR " " CD2" 6 0 1 1 2818 36.46 + 2819 2 18.289000 27.272000 0.311000 186 " " Y A 2 "TYR " " CE1" 6 0 1 1 2819 36.46 + 2820 2 16.947000 27.000000 -1.704000 186 " " Y A 2 "TYR " " CE2" 6 0 1 1 2820 36.46 + 2821 2 18.047000 26.620000 -0.911000 186 " " Y A 2 "TYR " " CZ " 6 0 1 1 2821 36.46 + 2822 16 18.882000 25.627000 -1.334000 186 " " Y A 2 "TYR " " OH " 8 0 1 1 2822 36.46 + 2823 43 14.581000 32.215000 0.938000 186 " " Y A 2 "TYR " " H " 1 0 1 1 2823 66.11 + 2824 41 17.043000 30.970000 1.383000 186 " " Y A 2 "TYR " " HA " 1 0 1 1 2824 66.11 + 2825 41 14.781000 30.126000 -0.422000 186 " " Y A 2 "TYR " " HB3" 1 0 1 1 2825 36.46 + 2826 41 15.018000 29.688000 1.253000 186 " " Y A 2 "TYR " " HB2" 1 0 1 1 2826 36.46 + 2827 41 17.639000 28.797000 1.678000 186 " " Y A 2 "TYR " " HD1" 1 0 1 1 2827 36.46 + 2828 41 15.311000 28.388000 -1.937000 186 " " Y A 2 "TYR " " HD2" 1 0 1 1 2828 36.46 + 2829 41 19.130000 26.992000 0.924000 186 " " Y A 2 "TYR " " HE1" 1 0 1 1 2829 36.46 + 2830 41 16.760000 26.503000 -2.645000 186 " " Y A 2 "TYR " " HE2" 1 0 1 1 2830 36.46 + 2831 42 18.644000 25.265000 -2.192000 186 " " Y A 2 "TYR " " HH " 1 0 1 1 2831 36.46 + 2832 25 16.638000 32.144000 -1.690000 187 " " E A 2 "GLU " " N " 7 0 1 1 2832 73.39 + 2833 3 17.271000 32.584000 -2.931000 187 " " E A 2 "GLU " " CA " 6 0 1 1 2833 73.39 + 2834 2 18.008000 33.930000 -2.840000 187 " " E A 2 "GLU " " C " 6 0 1 1 2834 73.39 + 2835 15 18.737000 34.272000 -3.770000 187 " " E A 2 "GLU " " O " 8 0 1 1 2835 51.3 + 2836 3 16.242000 32.542000 -4.068000 187 " " E A 2 "GLU " " CB " 6 0 1 1 2836 51.3 + 2837 3 15.768000 31.097000 -4.326000 187 " " E A 2 "GLU " " CG " 6 0 1 1 2837 51.3 + 2838 2 14.761000 30.974000 -5.460000 187 " " E A 2 "GLU " " CD " 6 0 1 1 2838 51.3 + 2839 15 13.939000 31.899000 -5.634000 187 " " E A 2 "GLU " " OE1" 8 0 1 1 2839 51.3 + 2840 18 14.807000 29.916000 -6.124000 187 " " E A 2 "GLU " " OE2" 8 -1 1 1 2840 51.3 + 2841 43 15.638000 32.296000 -1.636000 187 " " E A 2 "GLU " " H " 1 0 1 1 2841 73.39 + 2842 41 18.031000 31.862000 -3.190000 187 " " E A 2 "GLU " " HA " 1 0 1 1 2842 73.39 + 2843 41 16.675000 32.947000 -4.984000 187 " " E A 2 "GLU " " HB3" 1 0 1 1 2843 51.3 + 2844 41 15.396000 33.186000 -3.823000 187 " " E A 2 "GLU " " HB2" 1 0 1 1 2844 51.3 + 2845 41 15.314000 30.662000 -3.436000 187 " " E A 2 "GLU " " HG3" 1 0 1 1 2845 51.3 + 2846 41 16.628000 30.472000 -4.565000 187 " " E A 2 "GLU " " HG2" 1 0 1 1 2846 51.3 + 2847 25 17.842000 34.648000 -1.719000 188 " " R A 2 "ARG " " N " 7 0 1 1 2847 67.56 + 2848 3 18.540000 35.896000 -1.417000 188 " " R A 2 "ARG " " CA " 6 0 1 1 2848 67.56 + 2849 2 20.014000 35.646000 -1.026000 188 " " R A 2 "ARG " " C " 6 0 1 1 2849 67.56 + 2850 15 20.861000 36.486000 -1.325000 188 " " R A 2 "ARG " " O " 8 0 1 1 2850 85.05 + 2851 3 17.750000 36.617000 -0.302000 188 " " R A 2 "ARG " " CB " 6 0 1 1 2851 85.05 + 2852 3 17.960000 38.134000 -0.182000 188 " " R A 2 "ARG " " CG " 6 0 1 1 2852 85.05 + 2853 3 17.436000 38.729000 1.142000 188 " " R A 2 "ARG " " CD " 6 0 1 1 2853 85.05 + 2854 25 16.079000 38.287000 1.525000 188 " " R A 2 "ARG " " NE " 7 0 1 1 2854 85.05 + 2855 2 14.915000 38.518000 0.890000 188 " " R A 2 "ARG " " CZ " 6 0 1 1 2855 85.05 + 2856 25 14.854000 39.252000 -0.229000 188 " " R A 2 "ARG " " NH1" 7 0 1 1 2856 85.05 + 2857 31 13.785000 38.012000 1.400000 188 " " R A 2 "ARG " " NH2" 7 1 1 1 2857 85.05 + 2858 43 17.212000 34.306000 -1.007000 188 " " R A 2 "ARG " " H " 1 0 1 1 2858 67.56 + 2859 41 18.531000 36.524000 -2.310000 188 " " R A 2 "ARG " " HA " 1 0 1 1 2859 67.56 + 2860 41 17.947000 36.139000 0.655000 188 " " R A 2 "ARG " " HB3" 1 0 1 1 2860 85.05 + 2861 41 16.688000 36.490000 -0.491000 188 " " R A 2 "ARG " " HB2" 1 0 1 1 2861 85.05 + 2862 41 17.614000 38.684000 -1.058000 188 " " R A 2 "ARG " " HG3" 1 0 1 1 2862 85.05 + 2863 41 19.041000 38.279000 -0.152000 188 " " R A 2 "ARG " " HG2" 1 0 1 1 2863 85.05 + 2864 41 17.330000 39.805000 1.006000 188 " " R A 2 "ARG " " HD3" 1 0 1 1 2864 85.05 + 2865 41 18.157000 38.605000 1.950000 188 " " R A 2 "ARG " " HD2" 1 0 1 1 2865 85.05 + 2866 43 16.041000 37.780000 2.402000 188 " " R A 2 "ARG " " HE " 1 0 1 1 2866 85.05 + 2867 43 13.972000 39.408000 -0.696000 188 " " R A 2 "ARG " "HH12" 1 0 1 1 2867 85.05 + 2868 43 15.698000 39.641000 -0.621000 188 " " R A 2 "ARG " "HH11" 1 0 1 1 2868 85.05 + 2869 44 12.899000 38.173000 0.943000 188 " " R A 2 "ARG " "HH22" 1 0 1 1 2869 85.05 + 2870 44 13.810000 37.478000 2.257000 188 " " R A 2 "ARG " "HH21" 1 0 1 1 2870 85.05 + 2871 25 20.285000 34.490000 -0.391000 189 " " H A 2 "HIS " " N " 7 0 0 1 2871 52.14 + 2872 3 21.594000 34.081000 0.132000 189 " " H A 2 "HIS " " CA " 6 0 0 1 2872 52.14 + 2873 2 22.064000 32.780000 -0.536000 189 " " H A 2 "HIS " " C " 6 0 0 1 2873 52.14 + 2874 15 21.290000 32.144000 -1.253000 189 " " H A 2 "HIS " " O " 8 0 0 1 2874 61.41 + 2875 3 21.487000 33.892000 1.659000 189 " " H A 2 "HIS " " CB " 6 0 0 1 2875 61.41 + 2876 2 20.954000 35.079000 2.418000 189 " " H A 2 "HIS " " CG " 6 0 0 1 2876 61.41 + 2877 25 19.601000 35.307000 2.597000 189 " " H A 2 "HIS " " ND1" 7 0 0 1 2877 61.41 + 2878 2 21.590000 36.102000 3.085000 189 " " H A 2 "HIS " " CD2" 6 0 0 1 2878 61.41 + 2879 2 19.487000 36.436000 3.301000 189 " " H A 2 "HIS " " CE1" 6 0 0 1 2879 61.41 + 2880 25 20.650000 36.972000 3.634000 189 " " H A 2 "HIS " " NE2" 7 0 0 1 2880 61.41 + 2881 43 19.533000 33.835000 -0.233000 189 " " H A 2 "HIS " " H " 1 0 0 1 2881 52.14 + 2882 41 22.340000 34.851000 -0.072000 189 " " H A 2 "HIS " " HA " 1 0 0 1 2882 52.14 + 2883 41 22.453000 33.624000 2.082000 189 " " H A 2 "HIS " " HB3" 1 0 0 1 2883 61.41 + 2884 41 20.845000 33.050000 1.882000 189 " " H A 2 "HIS " " HB2" 1 0 0 1 2884 61.41 + 2885 43 18.842000 34.729000 2.255000 189 " " H A 2 "HIS " " HD1" 1 0 0 1 2885 61.41 + 2886 41 22.645000 36.290000 3.209000 189 " " H A 2 "HIS " " HD2" 1 0 0 1 2886 61.41 + 2887 41 18.547000 36.881000 3.584000 189 " " H A 2 "HIS " " HE1" 1 0 0 1 2887 61.41 + 2888 25 23.331000 32.408000 -0.291000 190 " " N A 2 "ASN " " N " 7 0 0 1 2888 51.57 + 2889 3 23.946000 31.217000 -0.877000 190 " " N A 2 "ASN " " CA " 6 0 0 1 2889 51.57 + 2890 2 24.317000 30.194000 0.206000 190 " " N A 2 "ASN " " C " 6 0 0 1 2890 51.57 + 2891 15 23.842000 29.063000 0.126000 190 " " N A 2 "ASN " " O " 8 0 0 1 2891 65.41 + 2892 3 25.170000 31.622000 -1.735000 190 " " N A 2 "ASN " " CB " 6 0 0 1 2892 65.41 + 2893 2 25.705000 30.502000 -2.638000 190 " " N A 2 "ASN " " CG " 6 0 0 1 2893 65.41 + 2894 15 25.071000 29.468000 -2.816000 190 " " N A 2 "ASN " " OD1" 8 0 0 1 2894 65.41 + 2895 25 26.889000 30.701000 -3.216000 190 " " N A 2 "ASN " " ND2" 7 0 0 1 2895 65.41 + 2896 43 23.912000 32.964000 0.325000 190 " " N A 2 "ASN " " H " 1 0 0 1 2896 51.57 + 2897 41 23.241000 30.697000 -1.528000 190 " " N A 2 "ASN " " HA " 1 0 0 1 2897 51.57 + 2898 41 25.976000 32.002000 -1.105000 190 " " N A 2 "ASN " " HB3" 1 0 0 1 2898 65.41 + 2899 41 24.886000 32.443000 -2.395000 190 " " N A 2 "ASN " " HB2" 1 0 0 1 2899 65.41 + 2900 43 27.297000 29.970000 -3.783000 190 " " N A 2 "ASN " "HD22" 1 0 0 1 2900 65.41 + 2901 43 27.406000 31.552000 -3.053000 190 " " N A 2 "ASN " "HD21" 1 0 0 1 2901 65.41 + 2902 25 25.170000 30.583000 1.168000 191 " " S A 2 "SER " " N " 7 0 2 1 2902 53.19 + 2903 3 25.707000 29.672000 2.177000 191 " " S A 2 "SER " " CA " 6 0 2 1 2903 53.19 + 2904 2 24.718000 29.447000 3.330000 191 " " S A 2 "SER " " C " 6 0 2 1 2904 53.19 + 2905 15 24.086000 30.393000 3.800000 191 " " S A 2 "SER " " O " 8 0 2 1 2905 75.15 + 2906 3 27.100000 30.154000 2.630000 191 " " S A 2 "SER " " CB " 6 0 2 1 2906 75.15 + 2907 16 27.042000 31.239000 3.525000 191 " " S A 2 "SER " " OG " 8 0 2 1 2907 75.15 + 2908 43 25.470000 31.549000 1.226000 191 " " S A 2 "SER " " H " 1 0 2 1 2908 53.19 + 2909 41 25.861000 28.710000 1.687000 191 " " S A 2 "SER " " HA " 1 0 2 1 2909 53.19 + 2910 41 27.713000 30.426000 1.770000 191 " " S A 2 "SER " " HB3" 1 0 2 1 2910 75.15 + 2911 41 27.620000 29.339000 3.135000 191 " " S A 2 "SER " " HB2" 1 0 2 1 2911 75.15 + 2912 42 26.589000 31.970000 3.086000 191 " " S A 2 "SER " " HG " 1 0 2 1 2912 75.15 + 2913 25 24.611000 28.176000 3.736000 192 " " Y A 2 "TYR " " N " 7 0 2 1 2913 32.64 + 2914 3 23.706000 27.681000 4.765000 192 " " Y A 2 "TYR " " CA " 6 0 2 1 2914 32.64 + 2915 2 24.456000 26.632000 5.571000 192 " " Y A 2 "TYR " " C " 6 0 2 1 2915 32.64 + 2916 15 24.885000 25.637000 4.988000 192 " " Y A 2 "TYR " " O " 8 0 2 1 2916 24.57 + 2917 3 22.472000 27.054000 4.090000 192 " " Y A 2 "TYR " " CB " 6 0 2 1 2917 24.57 + 2918 2 21.525000 28.086000 3.533000 192 " " Y A 2 "TYR " " CG " 6 0 2 1 2918 24.57 + 2919 2 20.737000 28.829000 4.429000 192 " " Y A 2 "TYR " " CD1" 6 0 2 1 2919 24.57 + 2920 2 21.484000 28.364000 2.151000 192 " " Y A 2 "TYR " " CD2" 6 0 2 1 2920 24.57 + 2921 2 19.962000 29.894000 3.951000 192 " " Y A 2 "TYR " " CE1" 6 0 2 1 2921 24.57 + 2922 2 20.709000 29.438000 1.674000 192 " " Y A 2 "TYR " " CE2" 6 0 2 1 2922 24.57 + 2923 2 19.965000 30.212000 2.585000 192 " " Y A 2 "TYR " " CZ " 6 0 2 1 2923 24.57 + 2924 16 19.249000 31.284000 2.161000 192 " " Y A 2 "TYR " " OH " 8 0 2 1 2924 24.57 + 2925 43 25.156000 27.463000 3.269000 192 " " Y A 2 "TYR " " H " 1 0 2 1 2925 32.64 + 2926 41 23.402000 28.492000 5.431000 192 " " Y A 2 "TYR " " HA " 1 0 2 1 2926 32.64 + 2927 41 21.911000 26.451000 4.806000 192 " " Y A 2 "TYR " " HB3" 1 0 2 1 2927 24.57 + 2928 41 22.790000 26.378000 3.296000 192 " " Y A 2 "TYR " " HB2" 1 0 2 1 2928 24.57 + 2929 41 20.762000 28.609000 5.486000 192 " " Y A 2 "TYR " " HD1" 1 0 2 1 2929 24.57 + 2930 41 22.078000 27.781000 1.464000 192 " " Y A 2 "TYR " " HD2" 1 0 2 1 2930 24.57 + 2931 41 19.400000 30.499000 4.638000 192 " " Y A 2 "TYR " " HE1" 1 0 2 1 2931 24.57 + 2932 41 20.706000 29.675000 0.620000 192 " " Y A 2 "TYR " " HE2" 1 0 2 1 2932 24.57 + 2933 42 19.251000 31.386000 1.203000 192 " " Y A 2 "TYR " " HH " 1 0 2 1 2933 24.57 + 2934 25 24.601000 26.868000 6.884000 193 " " T A 2 "THR " " N " 7 0 2 1 2934 18.34 + 2935 3 25.358000 25.974000 7.749000 193 " " T A 2 "THR " " CA " 6 0 2 1 2935 18.34 + 2936 2 24.895000 26.036000 9.210000 193 " " T A 2 "THR " " C " 6 0 2 1 2936 18.34 + 2937 15 24.740000 27.123000 9.761000 193 " " T A 2 "THR " " O " 8 0 2 1 2937 48.46 + 2938 3 26.885000 26.246000 7.655000 193 " " T A 2 "THR " " CB " 6 0 2 1 2938 48.46 + 2939 16 27.600000 25.309000 8.429000 193 " " T A 2 "THR " " OG1" 8 0 2 1 2939 48.46 + 2940 3 27.357000 27.641000 8.105000 193 " " T A 2 "THR " " CG2" 6 0 2 1 2940 48.46 + 2941 43 24.248000 27.719000 7.302000 193 " " T A 2 "THR " " H " 1 0 2 1 2941 18.34 + 2942 41 25.165000 24.957000 7.406000 193 " " T A 2 "THR " " HA " 1 0 2 1 2942 18.34 + 2943 41 27.185000 26.119000 6.620000 193 " " T A 2 "THR " " HB " 1 0 2 1 2943 48.46 + 2944 42 27.355000 24.426000 8.137000 193 " " T A 2 "THR " " HG1" 1 0 2 1 2944 48.46 + 2945 41 28.422000 27.768000 7.907000 193 " " T A 2 "THR " "HG21" 1 0 2 1 2945 48.46 + 2946 41 26.833000 28.431000 7.568000 193 " " T A 2 "THR " "HG22" 1 0 2 1 2946 48.46 + 2947 41 27.208000 27.802000 9.172000 193 " " T A 2 "THR " "HG23" 1 0 2 1 2947 48.46 + 2948 25 24.722000 24.845000 9.801000 194 " " C A 2 "CYS " " N " 7 0 2 1 2948 45.4 + 2949 3 24.526000 24.639000 11.231000 194 " " C A 2 "CYS " " CA " 6 0 2 1 2949 45.4 + 2950 2 25.881000 24.333000 11.888000 194 " " C A 2 "CYS " " C " 6 0 2 1 2950 45.4 + 2951 15 26.656000 23.547000 11.342000 194 " " C A 2 "CYS " " O " 8 0 2 1 2951 38.27 + 2952 3 23.523000 23.484000 11.446000 194 " " C A 2 "CYS " " CB " 6 0 2 1 2952 38.27 + 2953 49 23.912000 21.907000 10.621000 194 " " C A 2 "CYS " " SG " 16 0 2 1 2953 38.27 + 2954 43 24.878000 24.003000 9.265000 194 " " C A 2 "CYS " " H " 1 0 2 1 2954 45.4 + 2955 41 24.099000 25.536000 11.679000 194 " " C A 2 "CYS " " HA " 1 0 2 1 2955 45.4 + 2956 41 22.533000 23.793000 11.111000 194 " " C A 2 "CYS " " HB3" 1 0 2 1 2956 38.27 + 2957 41 23.426000 23.285000 12.514000 194 " " C A 2 "CYS " " HB2" 1 0 2 1 2957 38.27 + 2958 25 26.116000 24.929000 13.065000 195 " " E A 2 "GLU " " N " 7 0 2 1 2958 67.34 + 2959 3 27.224000 24.590000 13.955000 195 " " E A 2 "GLU " " CA " 6 0 2 1 2959 67.34 + 2960 2 26.663000 23.906000 15.196000 195 " " E A 2 "GLU " " C " 6 0 2 1 2960 67.34 + 2961 15 25.738000 24.452000 15.789000 195 " " E A 2 "GLU " " O " 8 0 2 1 2961 74.33 + 2962 3 27.977000 25.851000 14.407000 195 " " E A 2 "GLU " " CB " 6 0 2 1 2962 74.33 + 2963 3 28.633000 26.638000 13.265000 195 " " E A 2 "GLU " " CG " 6 0 2 1 2963 74.33 + 2964 2 29.750000 27.565000 13.753000 195 " " E A 2 "GLU " " CD " 6 0 2 1 2964 74.33 + 2965 15 29.731000 27.950000 14.943000 195 " " E A 2 "GLU " " OE1" 8 0 2 1 2965 74.33 + 2966 18 30.604000 27.900000 12.904000 195 " " E A 2 "GLU " " OE2" 8 -1 2 1 2966 74.33 + 2967 43 25.453000 25.604000 13.425000 195 " " E A 2 "GLU " " H " 1 0 2 1 2967 67.34 + 2968 41 27.934000 23.924000 13.464000 195 " " E A 2 "GLU " " HA " 1 0 2 1 2968 67.34 + 2969 41 28.732000 25.549000 15.131000 195 " " E A 2 "GLU " " HB3" 1 0 2 1 2969 74.33 + 2970 41 27.303000 26.518000 14.946000 195 " " E A 2 "GLU " " HB2" 1 0 2 1 2970 74.33 + 2971 41 27.883000 27.230000 12.739000 195 " " E A 2 "GLU " " HG3" 1 0 2 1 2971 74.33 + 2972 41 29.042000 25.949000 12.528000 195 " " E A 2 "GLU " " HG2" 1 0 2 1 2972 74.33 + 2973 25 27.268000 22.780000 15.601000 196 " " A A 2 "ALA " " N " 7 0 2 1 2973 12.3 + 2974 3 26.952000 22.097000 16.851000 196 " " A A 2 "ALA " " CA " 6 0 2 1 2974 12.3 + 2975 2 28.124000 22.264000 17.815000 196 " " A A 2 "ALA " " C " 6 0 2 1 2975 12.3 + 2976 15 29.219000 21.785000 17.522000 196 " " A A 2 "ALA " " O " 8 0 2 1 2976 11.18 + 2977 3 26.685000 20.609000 16.585000 196 " " A A 2 "ALA " " CB " 6 0 2 1 2977 11.18 + 2978 43 28.014000 22.383000 15.047000 196 " " A A 2 "ALA " " H " 1 0 2 1 2978 12.3 + 2979 41 26.047000 22.514000 17.296000 196 " " A A 2 "ALA " " HA " 1 0 2 1 2979 12.3 + 2980 41 25.882000 20.269000 17.236000 196 " " A A 2 "ALA " " HB1" 1 0 2 1 2980 11.18 + 2981 41 26.391000 20.433000 15.551000 196 " " A A 2 "ALA " " HB2" 1 0 2 1 2981 11.18 + 2982 41 27.538000 19.964000 16.794000 196 " " A A 2 "ALA " " HB3" 1 0 2 1 2982 11.18 + 2983 25 27.865000 22.905000 18.961000 197 " " T A 2 "THR " " N " 7 0 2 1 2983 50.3 + 2984 3 28.808000 22.955000 20.071000 197 " " T A 2 "THR " " CA " 6 0 2 1 2984 50.3 + 2985 2 28.404000 21.862000 21.077000 197 " " T A 2 "THR " " C " 6 0 2 1 2985 50.3 + 2986 15 27.271000 21.840000 21.562000 197 " " T A 2 "THR " " O " 8 0 2 1 2986 58.37 + 2987 3 28.875000 24.353000 20.745000 197 " " T A 2 "THR " " CB " 6 0 2 1 2987 58.37 + 2988 16 27.824000 24.630000 21.645000 197 " " T A 2 "THR " " OG1" 8 0 2 1 2988 58.37 + 2989 3 29.005000 25.510000 19.741000 197 " " T A 2 "THR " " CG2" 6 0 2 1 2989 58.37 + 2990 43 26.936000 23.265000 19.143000 197 " " T A 2 "THR " " H " 1 0 2 1 2990 50.3 + 2991 41 29.819000 22.743000 19.715000 197 " " T A 2 "THR " " HA " 1 0 2 1 2991 50.3 + 2992 41 29.781000 24.366000 21.354000 197 " " T A 2 "THR " " HB " 1 0 2 1 2992 58.37 + 2993 42 27.816000 23.950000 22.323000 197 " " T A 2 "THR " " HG1" 1 0 2 1 2993 58.37 + 2994 41 29.134000 26.463000 20.255000 197 " " T A 2 "THR " "HG21" 1 0 2 1 2994 58.37 + 2995 41 29.870000 25.367000 19.093000 197 " " T A 2 "THR " "HG22" 1 0 2 1 2995 58.37 + 2996 41 28.126000 25.597000 19.102000 197 " " T A 2 "THR " "HG23" 1 0 2 1 2996 58.37 + 2997 25 29.347000 20.946000 21.314000 198 " " H A 2 "HIS " " N " 7 0 0 1 2997 2.48 + 2998 3 29.181000 19.747000 22.124000 198 " " H A 2 "HIS " " CA " 6 0 0 1 2998 2.48 + 2999 2 30.575000 19.360000 22.619000 198 " " H A 2 "HIS " " C " 6 0 0 1 2999 2.48 + 3000 15 31.489000 19.327000 21.795000 198 " " H A 2 "HIS " " O " 8 0 0 1 3000 29.32 + 3001 3 28.568000 18.635000 21.246000 198 " " H A 2 "HIS " " CB " 6 0 0 1 3001 29.32 + 3002 2 28.147000 17.412000 22.011000 198 " " H A 2 "HIS " " CG " 6 0 0 1 3002 29.32 + 3003 25 27.296000 17.470000 23.096000 198 " " H A 2 "HIS " " ND1" 7 0 0 1 3003 29.32 + 3004 2 28.483000 16.086000 21.874000 198 " " H A 2 "HIS " " CD2" 6 0 0 1 3004 29.32 + 3005 2 27.174000 16.230000 23.564000 198 " " H A 2 "HIS " " CE1" 6 0 0 1 3005 29.32 + 3006 25 27.858000 15.334000 22.866000 198 " " H A 2 "HIS " " NE2" 7 0 0 1 3006 29.32 + 3007 43 30.250000 21.035000 20.868000 198 " " H A 2 "HIS " " H " 1 0 0 1 3007 2.48 + 3008 41 28.532000 19.971000 22.973000 198 " " H A 2 "HIS " " HA " 1 0 0 1 3008 2.48 + 3009 41 29.274000 18.325000 20.474000 198 " " H A 2 "HIS " " HB3" 1 0 0 1 3009 29.32 + 3010 41 27.699000 19.004000 20.707000 198 " " H A 2 "HIS " " HB2" 1 0 0 1 3010 29.32 + 3011 43 26.832000 18.287000 23.473000 198 " " H A 2 "HIS " " HD1" 1 0 0 1 3011 29.32 + 3012 41 29.132000 15.617000 21.152000 198 " " H A 2 "HIS " " HD2" 1 0 0 1 3012 29.32 + 3013 41 26.585000 15.995000 24.433000 198 " " H A 2 "HIS " " HE1" 1 0 0 1 3013 29.32 + 3014 25 30.733000 19.076000 23.927000 199 " " K A 2 "LYS " " N " 7 0 0 1 3014 9.86 + 3015 3 32.059000 18.883000 24.535000 199 " " K A 2 "LYS " " CA " 6 0 0 1 3015 9.86 + 3016 2 32.654000 17.465000 24.364000 199 " " K A 2 "LYS " " C " 6 0 0 1 3016 9.86 + 3017 15 33.407000 17.010000 25.224000 199 " " K A 2 "LYS " " O " 8 0 0 1 3017 70.59 + 3018 3 32.104000 19.400000 25.991000 199 " " K A 2 "LYS " " CB " 6 0 0 1 3018 70.59 + 3019 3 33.502000 19.967000 26.338000 199 " " K A 2 "LYS " " CG " 6 0 0 1 3019 70.59 + 3020 3 33.858000 20.061000 27.831000 199 " " K A 2 "LYS " " CD " 6 0 0 1 3020 70.59 + 3021 3 32.957000 20.976000 28.672000 199 " " K A 2 "LYS " " CE " 6 0 0 1 3021 70.59 + 3022 32 31.689000 20.319000 29.032000 199 " " K A 2 "LYS " " NZ " 7 1 0 1 3022 70.59 + 3023 43 29.939000 19.078000 24.551000 199 " " K A 2 "LYS " " H " 1 0 0 1 3023 9.86 + 3024 41 32.748000 19.522000 23.981000 199 " " K A 2 "LYS " " HA " 1 0 0 1 3024 9.86 + 3025 41 31.806000 18.608000 26.679000 199 " " K A 2 "LYS " " HB3" 1 0 0 1 3025 70.59 + 3026 41 31.380000 20.205000 26.122000 199 " " K A 2 "LYS " " HB2" 1 0 0 1 3026 70.59 + 3027 41 33.599000 20.957000 25.889000 199 " " K A 2 "LYS " " HG3" 1 0 0 1 3027 70.59 + 3028 41 34.277000 19.367000 25.860000 199 " " K A 2 "LYS " " HG2" 1 0 0 1 3028 70.59 + 3029 41 34.884000 20.420000 27.913000 199 " " K A 2 "LYS " " HD3" 1 0 0 1 3029 70.59 + 3030 41 33.871000 19.057000 28.260000 199 " " K A 2 "LYS " " HD2" 1 0 0 1 3030 70.59 + 3031 41 32.760000 21.914000 28.150000 199 " " K A 2 "LYS " " HE3" 1 0 0 1 3031 70.59 + 3032 41 33.466000 21.230000 29.602000 199 " " K A 2 "LYS " " HE2" 1 0 0 1 3032 70.59 + 3033 44 31.178000 20.087000 28.192000 199 " " K A 2 "LYS " " HZ1" 1 0 0 1 3033 70.59 + 3034 44 31.883000 19.474000 29.550000 199 " " K A 2 "LYS " " HZ2" 1 0 0 1 3034 70.59 + 3035 44 31.134000 20.943000 29.601000 199 " " K A 2 "LYS " " HZ3" 1 0 0 1 3035 70.59 + 3036 25 32.384000 16.832000 23.214000 200 " " T A 2 "THR " " N " 7 0 0 1 3036 50.44 + 3037 3 33.255000 15.814000 22.621000 200 " " T A 2 "THR " " CA " 6 0 0 1 3037 50.44 + 3038 2 34.314000 16.453000 21.694000 200 " " T A 2 "THR " " C " 6 0 0 1 3038 50.44 + 3039 15 35.268000 15.770000 21.325000 200 " " T A 2 "THR " " O " 8 0 0 1 3039 47.47 + 3040 3 32.430000 14.815000 21.784000 200 " " T A 2 "THR " " CB " 6 0 0 1 3040 47.47 + 3041 16 31.708000 15.478000 20.757000 200 " " T A 2 "THR " " OG1" 8 0 0 1 3041 47.47 + 3042 3 31.484000 13.997000 22.673000 200 " " T A 2 "THR " " CG2" 6 0 0 1 3042 47.47 + 3043 43 31.704000 17.233000 22.584000 200 " " T A 2 "THR " " H " 1 0 0 1 3043 50.44 + 3044 41 33.788000 15.266000 23.400000 200 " " T A 2 "THR " " HA " 1 0 0 1 3044 50.44 + 3045 41 33.111000 14.113000 21.300000 200 " " T A 2 "THR " " HB " 1 0 0 1 3045 47.47 + 3046 42 32.336000 15.859000 20.138000 200 " " T A 2 "THR " " HG1" 1 0 0 1 3046 47.47 + 3047 41 31.504000 12.948000 22.389000 200 " " T A 2 "THR " "HG21" 1 0 0 1 3047 47.47 + 3048 41 31.792000 14.038000 23.717000 200 " " T A 2 "THR " "HG22" 1 0 0 1 3048 47.47 + 3049 41 30.456000 14.348000 22.631000 200 " " T A 2 "THR " "HG23" 1 0 0 1 3049 47.47 + 3050 25 34.142000 17.743000 21.365000 201 " " S A 2 "SER " " N " 7 0 0 1 3050 39.42 + 3051 3 35.086000 18.569000 20.627000 201 " " S A 2 "SER " " CA " 6 0 0 1 3051 39.42 + 3052 2 35.157000 19.953000 21.294000 201 " " S A 2 "SER " " C " 6 0 0 1 3052 39.42 + 3053 15 34.184000 20.398000 21.903000 201 " " S A 2 "SER " " O " 8 0 0 1 3053 48.43 + 3054 3 34.624000 18.654000 19.157000 201 " " S A 2 "SER " " CB " 6 0 0 1 3054 48.43 + 3055 16 35.547000 19.373000 18.364000 201 " " S A 2 "SER " " OG " 8 0 0 1 3055 48.43 + 3056 43 33.332000 18.237000 21.715000 201 " " S A 2 "SER " " H " 1 0 0 1 3056 39.42 + 3057 41 36.082000 18.121000 20.670000 201 " " S A 2 "SER " " HA " 1 0 0 1 3057 39.42 + 3058 41 33.647000 19.133000 19.083000 201 " " S A 2 "SER " " HB3" 1 0 0 1 3058 48.43 + 3059 41 34.521000 17.653000 18.735000 201 " " S A 2 "SER " " HB2" 1 0 0 1 3059 48.43 + 3060 42 35.120000 19.599000 17.533000 201 " " S A 2 "SER " " HG " 1 0 0 1 3060 48.43 + 3061 25 36.306000 20.624000 21.138000 202 " " T A 2 "THR " " N " 7 0 0 1 3061 14.64 + 3062 3 36.506000 22.018000 21.546000 202 " " T A 2 "THR " " CA " 6 0 0 1 3062 14.64 + 3063 2 36.174000 23.008000 20.404000 202 " " T A 2 "THR " " C " 6 0 0 1 3063 14.64 + 3064 15 36.097000 24.210000 20.657000 202 " " T A 2 "THR " " O " 8 0 0 1 3064 22.82 + 3065 3 37.977000 22.253000 21.992000 202 " " T A 2 "THR " " CB " 6 0 0 1 3065 22.82 + 3066 16 38.893000 22.277000 20.909000 202 " " T A 2 "THR " " OG1" 8 0 0 1 3066 22.82 + 3067 3 38.469000 21.240000 23.038000 202 " " T A 2 "THR " " CG2" 6 0 0 1 3067 22.82 + 3068 43 37.071000 20.200000 20.633000 202 " " T A 2 "THR " " H " 1 0 0 1 3068 14.64 + 3069 41 35.855000 22.257000 22.390000 202 " " T A 2 "THR " " HA " 1 0 0 1 3069 14.64 + 3070 41 38.030000 23.240000 22.455000 202 " " T A 2 "THR " " HB " 1 0 0 1 3070 22.82 + 3071 42 38.669000 23.009000 20.328000 202 " " T A 2 "THR " " HG1" 1 0 0 1 3071 22.82 + 3072 41 39.467000 21.501000 23.392000 202 " " T A 2 "THR " "HG21" 1 0 0 1 3072 22.82 + 3073 41 37.808000 21.220000 23.905000 202 " " T A 2 "THR " "HG22" 1 0 0 1 3073 22.82 + 3074 41 38.520000 20.228000 22.635000 202 " " T A 2 "THR " "HG23" 1 0 0 1 3074 22.82 + 3075 25 36.000000 22.482000 19.181000 203 " " S A 2 "SER " " N " 7 0 0 1 3075 15.9 + 3076 3 35.789000 23.222000 17.940000 203 " " S A 2 "SER " " CA " 6 0 0 1 3076 15.9 + 3077 2 34.375000 22.877000 17.422000 203 " " S A 2 "SER " " C " 6 0 0 1 3077 15.9 + 3078 15 34.061000 21.686000 17.367000 203 " " S A 2 "SER " " O " 8 0 0 1 3078 64.81 + 3079 3 36.842000 22.716000 16.933000 203 " " S A 2 "SER " " CB " 6 0 0 1 3079 64.81 + 3080 16 38.148000 23.044000 17.368000 203 " " S A 2 "SER " " OG " 8 0 0 1 3080 64.81 + 3081 43 36.053000 21.478000 19.074000 203 " " S A 2 "SER " " H " 1 0 0 1 3081 15.9 + 3082 41 35.943000 24.288000 18.099000 203 " " S A 2 "SER " " HA " 1 0 0 1 3082 15.9 + 3083 41 36.684000 23.176000 15.956000 203 " " S A 2 "SER " " HB3" 1 0 0 1 3083 64.81 + 3084 41 36.777000 21.636000 16.792000 203 " " S A 2 "SER " " HB2" 1 0 0 1 3084 64.81 + 3085 42 38.778000 22.713000 16.724000 203 " " S A 2 "SER " " HG " 1 0 0 1 3085 64.81 + 3086 25 33.546000 23.886000 17.051000 204 " " P A 2 "PRO " " N " 7 0 0 1 3086 10.43 + 3087 3 32.209000 23.673000 16.447000 204 " " P A 2 "PRO " " CA " 6 0 0 1 3087 10.43 + 3088 2 32.140000 22.629000 15.317000 204 " " P A 2 "PRO " " C " 6 0 0 1 3088 10.43 + 3089 15 33.000000 22.629000 14.435000 204 " " P A 2 "PRO " " O " 8 0 0 1 3089 65.46 + 3090 3 31.830000 25.067000 15.925000 204 " " P A 2 "PRO " " CB " 6 0 0 1 3090 65.46 + 3091 3 32.525000 26.027000 16.867000 204 " " P A 2 "PRO " " CG " 6 0 0 1 3091 65.46 + 3092 3 33.837000 25.318000 17.173000 204 " " P A 2 "PRO " " CD " 6 0 0 1 3092 65.46 + 3093 41 31.535000 23.392000 17.258000 204 " " P A 2 "PRO " " HA " 1 0 0 1 3093 10.43 + 3094 41 30.753000 25.224000 15.913000 204 " " P A 2 "PRO " " HB3" 1 0 0 1 3094 65.46 + 3095 41 32.200000 25.225000 14.910000 204 " " P A 2 "PRO " " HB2" 1 0 0 1 3095 65.46 + 3096 41 31.940000 26.117000 17.783000 204 " " P A 2 "PRO " " HG3" 1 0 0 1 3096 65.46 + 3097 41 32.655000 27.027000 16.451000 204 " " P A 2 "PRO " " HG2" 1 0 0 1 3097 65.46 + 3098 41 34.599000 25.586000 16.439000 204 " " P A 2 "PRO " " HD2" 1 0 0 1 3098 65.46 + 3099 41 34.193000 25.599000 18.165000 204 " " P A 2 "PRO " " HD3" 1 0 0 1 3099 65.46 + 3100 25 31.124000 21.754000 15.380000 205 " " I A 2 "ILE " " N " 7 0 2 1 3100 44.71 + 3101 3 30.838000 20.743000 14.363000 205 " " I A 2 "ILE " " CA " 6 0 2 1 3101 44.71 + 3102 2 29.987000 21.411000 13.260000 205 " " I A 2 "ILE " " C " 6 0 2 1 3102 44.71 + 3103 15 28.761000 21.470000 13.363000 205 " " I A 2 "ILE " " O " 8 0 2 1 3103 19.43 + 3104 3 30.064000 19.516000 14.939000 205 " " I A 2 "ILE " " CB " 6 0 2 1 3104 19.43 + 3105 3 30.676000 18.919000 16.231000 205 " " I A 2 "ILE " " CG1" 6 0 2 1 3105 19.43 + 3106 3 29.849000 18.410000 13.885000 205 " " I A 2 "ILE " " CG2" 6 0 2 1 3106 19.43 + 3107 3 31.959000 18.102000 16.030000 205 " " I A 2 "ILE " " CD1" 6 0 2 1 3107 19.43 + 3108 43 30.471000 21.800000 16.153000 205 " " I A 2 "ILE " " H " 1 0 2 1 3108 44.71 + 3109 41 31.772000 20.387000 13.924000 205 " " I A 2 "ILE " " HA " 1 0 2 1 3109 44.71 + 3110 41 29.073000 19.856000 15.232000 205 " " I A 2 "ILE " " HB " 1 0 2 1 3110 19.43 + 3111 41 29.932000 18.266000 16.690000 205 " " I A 2 "ILE " "HG13" 1 0 2 1 3111 19.43 + 3112 41 30.859000 19.696000 16.973000 205 " " I A 2 "ILE " "HG12" 1 0 2 1 3112 19.43 + 3113 41 29.356000 17.546000 14.328000 205 " " I A 2 "ILE " "HG21" 1 0 2 1 3113 19.43 + 3114 41 29.234000 18.745000 13.050000 205 " " I A 2 "ILE " "HG22" 1 0 2 1 3114 19.43 + 3115 41 30.797000 18.066000 13.470000 205 " " I A 2 "ILE " "HG23" 1 0 2 1 3115 19.43 + 3116 41 32.510000 18.015000 16.966000 205 " " I A 2 "ILE " "HD11" 1 0 2 1 3116 19.43 + 3117 41 31.736000 17.093000 15.685000 205 " " I A 2 "ILE " "HD12" 1 0 2 1 3117 19.43 + 3118 41 32.623000 18.569000 15.302000 205 " " I A 2 "ILE " "HD13" 1 0 2 1 3118 19.43 + 3119 25 30.681000 21.960000 12.253000 206 " " V A 2 "VAL " " N " 7 0 2 1 3119 40.19 + 3120 3 30.091000 22.733000 11.162000 206 " " V A 2 "VAL " " CA " 6 0 2 1 3120 40.19 + 3121 2 29.738000 21.791000 9.993000 206 " " V A 2 "VAL " " C " 6 0 2 1 3121 40.19 + 3122 15 30.525000 20.893000 9.689000 206 " " V A 2 "VAL " " O " 8 0 2 1 3122 64.98 + 3123 3 31.102000 23.797000 10.639000 206 " " V A 2 "VAL " " CB " 6 0 2 1 3123 64.98 + 3124 3 30.491000 24.766000 9.610000 206 " " V A 2 "VAL " " CG1" 6 0 2 1 3124 64.98 + 3125 3 31.742000 24.609000 11.782000 206 " " V A 2 "VAL " " CG2" 6 0 2 1 3125 64.98 + 3126 43 31.688000 21.889000 12.249000 206 " " V A 2 "VAL " " H " 1 0 2 1 3126 40.19 + 3127 41 29.194000 23.244000 11.511000 206 " " V A 2 "VAL " " HA " 1 0 2 1 3127 40.19 + 3128 41 31.921000 23.284000 10.131000 206 " " V A 2 "VAL " " HB " 1 0 2 1 3128 64.98 + 3129 41 31.225000 25.500000 9.277000 206 " " V A 2 "VAL " "HG11" 1 0 2 1 3129 64.98 + 3130 41 30.135000 24.253000 8.718000 206 " " V A 2 "VAL " "HG12" 1 0 2 1 3130 64.98 + 3131 41 29.658000 25.315000 10.049000 206 " " V A 2 "VAL " "HG13" 1 0 2 1 3131 64.98 + 3132 41 32.275000 25.484000 11.408000 206 " " V A 2 "VAL " "HG21" 1 0 2 1 3132 64.98 + 3133 41 31.003000 24.953000 12.503000 206 " " V A 2 "VAL " "HG22" 1 0 2 1 3133 64.98 + 3134 41 32.472000 24.011000 12.324000 206 " " V A 2 "VAL " "HG23" 1 0 2 1 3134 64.98 + 3135 25 28.585000 22.021000 9.343000 207 " " K A 2 "LYS " " N " 7 0 2 1 3135 27.3 + 3136 3 28.176000 21.271000 8.153000 207 " " K A 2 "LYS " " CA " 6 0 2 1 3136 27.3 + 3137 2 27.403000 22.215000 7.229000 207 " " K A 2 "LYS " " C " 6 0 2 1 3137 27.3 + 3138 15 26.403000 22.779000 7.671000 207 " " K A 2 "LYS " " O " 8 0 2 1 3138 28.86 + 3139 3 27.334000 20.039000 8.564000 207 " " K A 2 "LYS " " CB " 6 0 2 1 3139 28.86 + 3140 3 27.580000 18.807000 7.679000 207 " " K A 2 "LYS " " CG " 6 0 2 1 3140 28.86 + 3141 3 28.914000 18.117000 8.024000 207 " " K A 2 "LYS " " CD " 6 0 2 1 3141 28.86 + 3142 3 29.318000 16.987000 7.070000 207 " " K A 2 "LYS " " CE " 6 0 2 1 3142 28.86 + 3143 32 28.335000 15.893000 7.061000 207 " " K A 2 "LYS " " NZ " 7 1 2 1 3143 28.86 + 3144 43 27.960000 22.751000 9.659000 207 " " K A 2 "LYS " " H " 1 0 2 1 3144 27.3 + 3145 41 29.067000 20.951000 7.609000 207 " " K A 2 "LYS " " HA " 1 0 2 1 3145 27.3 + 3146 41 26.271000 20.287000 8.587000 207 " " K A 2 "LYS " " HB3" 1 0 2 1 3146 28.86 + 3147 41 27.575000 19.752000 9.588000 207 " " K A 2 "LYS " " HB2" 1 0 2 1 3147 28.86 + 3148 41 27.564000 19.097000 6.628000 207 " " K A 2 "LYS " " HG3" 1 0 2 1 3148 28.86 + 3149 41 26.757000 18.103000 7.813000 207 " " K A 2 "LYS " " HG2" 1 0 2 1 3149 28.86 + 3150 41 28.855000 17.718000 9.038000 207 " " K A 2 "LYS " " HD3" 1 0 2 1 3150 28.86 + 3151 41 29.723000 18.846000 8.047000 207 " " K A 2 "LYS " " HD2" 1 0 2 1 3151 28.86 + 3152 41 30.284000 16.586000 7.377000 207 " " K A 2 "LYS " " HE3" 1 0 2 1 3152 28.86 + 3153 41 29.439000 17.366000 6.055000 207 " " K A 2 "LYS " " HE2" 1 0 2 1 3153 28.86 + 3154 44 28.171000 15.573000 8.007000 207 " " K A 2 "LYS " " HZ1" 1 0 2 1 3154 28.86 + 3155 44 27.462000 16.222000 6.674000 207 " " K A 2 "LYS " " HZ2" 1 0 2 1 3155 28.86 + 3156 44 28.689000 15.125000 6.510000 207 " " K A 2 "LYS " " HZ3" 1 0 2 1 3156 28.86 + 3157 25 27.896000 22.395000 5.991000 208 " " S A 2 "SER " " N " 7 0 2 1 3157 22.51 + 3158 3 27.421000 23.423000 5.065000 208 " " S A 2 "SER " " CA " 6 0 2 1 3158 22.51 + 3159 2 27.031000 22.845000 3.697000 208 " " S A 2 "SER " " C " 6 0 2 1 3159 22.51 + 3160 15 27.540000 21.801000 3.288000 208 " " S A 2 "SER " " O " 8 0 2 1 3160 31.71 + 3161 3 28.530000 24.491000 4.911000 208 " " S A 2 "SER " " CB " 6 0 2 1 3161 31.71 + 3162 16 28.090000 25.626000 4.185000 208 " " S A 2 "SER " " OG " 8 0 2 1 3162 31.71 + 3163 43 28.703000 21.868000 5.688000 208 " " S A 2 "SER " " H " 1 0 2 1 3163 22.51 + 3164 41 26.538000 23.899000 5.484000 208 " " S A 2 "SER " " HA " 1 0 2 1 3164 22.51 + 3165 41 29.397000 24.069000 4.400000 208 " " S A 2 "SER " " HB3" 1 0 2 1 3165 31.71 + 3166 41 28.887000 24.821000 5.887000 208 " " S A 2 "SER " " HB2" 1 0 2 1 3166 31.71 + 3167 42 27.407000 26.073000 4.692000 208 " " S A 2 "SER " " HG " 1 0 2 1 3167 31.71 + 3168 25 26.189000 23.614000 2.994000 209 " " F A 2 "PHE " " N " 7 0 2 1 3168 27.51 + 3169 3 25.972000 23.542000 1.553000 209 " " F A 2 "PHE " " CA " 6 0 2 1 3169 27.51 + 3170 2 25.809000 24.988000 1.045000 209 " " F A 2 "PHE " " C " 6 0 2 1 3170 27.51 + 3171 15 25.527000 25.900000 1.828000 209 " " F A 2 "PHE " " O " 8 0 2 1 3171 14.47 + 3172 3 24.743000 22.648000 1.253000 209 " " F A 2 "PHE " " CB " 6 0 2 1 3172 14.47 + 3173 2 23.380000 23.310000 1.371000 209 " " F A 2 "PHE " " CG " 6 0 2 1 3173 14.47 + 3174 2 22.753000 23.416000 2.626000 209 " " F A 2 "PHE " " CD1" 6 0 2 1 3174 14.47 + 3175 2 22.809000 23.970000 0.261000 209 " " F A 2 "PHE " " CD2" 6 0 2 1 3175 14.47 + 3176 2 21.552000 24.097000 2.745000 209 " " F A 2 "PHE " " CE1" 6 0 2 1 3176 14.47 + 3177 2 21.630000 24.681000 0.407000 209 " " F A 2 "PHE " " CE2" 6 0 2 1 3177 14.47 + 3178 2 20.998000 24.732000 1.642000 209 " " F A 2 "PHE " " CZ " 6 0 2 1 3178 14.47 + 3179 43 25.811000 24.446000 3.429000 209 " " F A 2 "PHE " " H " 1 0 2 1 3179 27.51 + 3180 41 26.857000 23.109000 1.082000 209 " " F A 2 "PHE " " HA " 1 0 2 1 3180 27.51 + 3181 41 24.758000 21.767000 1.897000 209 " " F A 2 "PHE " " HB3" 1 0 2 1 3181 14.47 + 3182 41 24.833000 22.261000 0.237000 209 " " F A 2 "PHE " " HB2" 1 0 2 1 3182 14.47 + 3183 41 23.207000 22.962000 3.491000 209 " " F A 2 "PHE " " HD1" 1 0 2 1 3183 14.47 + 3184 41 23.292000 23.926000 -0.703000 209 " " F A 2 "PHE " " HD2" 1 0 2 1 3184 14.47 + 3185 41 21.068000 24.154000 3.708000 209 " " F A 2 "PHE " " HE1" 1 0 2 1 3185 14.47 + 3186 41 21.209000 25.189000 -0.445000 209 " " F A 2 "PHE " " HE2" 1 0 2 1 3186 14.47 + 3187 41 20.074000 25.275000 1.751000 209 " " F A 2 "PHE " " HZ " 1 0 2 1 3187 14.47 + 3188 25 25.959000 25.154000 -0.277000 210 " " N A 2 "ASN " " N " 7 0 2 1 3188 81.47 + 3189 3 25.668000 26.388000 -1.010000 210 " " N A 2 "ASN " " CA " 6 0 2 1 3189 81.47 + 3190 2 24.559000 26.087000 -2.022000 210 " " N A 2 "ASN " " C " 6 0 2 1 3190 81.47 + 3191 15 24.657000 25.112000 -2.769000 210 " " N A 2 "ASN " " O " 8 0 2 1 3191 84.59 + 3192 3 26.956000 26.879000 -1.715000 210 " " N A 2 "ASN " " CB " 6 0 2 1 3192 84.59 + 3193 2 27.870000 27.780000 -0.872000 210 " " N A 2 "ASN " " CG " 6 0 2 1 3193 84.59 + 3194 15 28.520000 28.670000 -1.413000 210 " " N A 2 "ASN " " OD1" 8 0 2 1 3194 84.59 + 3195 25 27.947000 27.567000 0.443000 210 " " N A 2 "ASN " " ND2" 7 0 2 1 3195 84.59 + 3196 43 26.182000 24.356000 -0.855000 210 " " N A 2 "ASN " " H " 1 0 2 1 3196 81.47 + 3197 41 25.341000 27.138000 -0.293000 210 " " N A 2 "ASN " " HA " 1 0 2 1 3197 81.47 + 3198 41 26.677000 27.485000 -2.575000 210 " " N A 2 "ASN " " HB3" 1 0 2 1 3198 84.59 + 3199 41 27.528000 26.045000 -2.126000 210 " " N A 2 "ASN " " HB2" 1 0 2 1 3199 84.59 + 3200 43 28.563000 28.130000 1.009000 210 " " N A 2 "ASN " "HD22" 1 0 2 1 3200 84.59 + 3201 43 27.401000 26.835000 0.876000 210 " " N A 2 "ASN " "HD21" 1 0 2 1 3201 84.59 + 3202 25 23.536000 26.955000 -2.030000 211 " " R A 2 "ARG " " N " 7 0 0 1 3202 65.92 + 3203 3 22.448000 26.972000 -3.004000 211 " " R A 2 "ARG " " CA " 6 0 0 1 3203 65.92 + 3204 2 22.951000 27.543000 -4.344000 211 " " R A 2 "ARG " " C " 6 0 0 1 3204 65.92 + 3205 15 22.811000 28.742000 -4.598000 211 " " R A 2 "ARG " " O " 8 0 0 1 3205 72.89 + 3206 3 21.288000 27.790000 -2.408000 211 " " R A 2 "ARG " " CB " 6 0 0 1 3206 72.89 + 3207 3 20.057000 27.958000 -3.333000 211 " " R A 2 "ARG " " CG " 6 0 0 1 3207 72.89 + 3208 3 19.219000 29.171000 -2.939000 211 " " R A 2 "ARG " " CD " 6 0 0 1 3208 72.89 + 3209 25 19.976000 30.408000 -3.161000 211 " " R A 2 "ARG " " NE " 7 0 0 1 3209 72.89 + 3210 2 20.089000 31.088000 -4.311000 211 " " R A 2 "ARG " " CZ " 6 0 0 1 3210 72.89 + 3211 25 19.430000 30.713000 -5.416000 211 " " R A 2 "ARG " " NH1" 7 0 0 1 3211 72.89 + 3212 31 20.879000 32.167000 -4.339000 211 " " R A 2 "ARG " " NH2" 7 1 0 1 3212 72.89 + 3213 43 23.550000 27.729000 -1.379000 211 " " R A 2 "ARG " " H " 1 0 0 1 3213 65.92 + 3214 41 22.096000 25.950000 -3.165000 211 " " R A 2 "ARG " " HA " 1 0 0 1 3214 65.92 + 3215 41 21.689000 28.770000 -2.145000 211 " " R A 2 "ARG " " HB3" 1 0 0 1 3215 72.89 + 3216 41 20.969000 27.356000 -1.461000 211 " " R A 2 "ARG " " HB2" 1 0 0 1 3216 72.89 + 3217 41 19.468000 27.050000 -3.453000 211 " " R A 2 "ARG " " HG3" 1 0 0 1 3217 72.89 + 3218 41 20.398000 28.181000 -4.340000 211 " " R A 2 "ARG " " HG2" 1 0 0 1 3218 72.89 + 3219 41 19.105000 29.139000 -1.857000 211 " " R A 2 "ARG " " HD3" 1 0 0 1 3219 72.89 + 3220 41 18.210000 29.169000 -3.350000 211 " " R A 2 "ARG " " HD2" 1 0 0 1 3220 72.89 + 3221 43 20.481000 30.763000 -2.356000 211 " " R A 2 "ARG " " HE " 1 0 0 1 3221 72.89 + 3222 43 19.522000 31.238000 -6.274000 211 " " R A 2 "ARG " "HH12" 1 0 0 1 3222 72.89 + 3223 43 18.832000 29.899000 -5.394000 211 " " R A 2 "ARG " "HH11" 1 0 0 1 3223 72.89 + 3224 44 20.973000 32.718000 -5.179000 211 " " R A 2 "ARG " "HH22" 1 0 0 1 3224 72.89 + 3225 44 21.351000 32.462000 -3.495000 211 " " R A 2 "ARG " "HH21" 1 0 0 1 3225 72.89 + 3226 25 23.527000 26.663000 -5.171000 212 " " N A 2 "ASN " " N " 7 0 0 1 3226 68.27 + 3227 3 23.966000 26.970000 -6.527000 212 " " N A 2 "ASN " " CA " 6 0 0 1 3227 68.27 + 3228 2 23.279000 25.981000 -7.469000 212 " " N A 2 "ASN " " C " 6 0 0 1 3228 68.27 + 3229 15 23.927000 25.083000 -8.008000 212 " " N A 2 "ASN " " O " 8 0 0 1 3229 48.08 + 3230 3 25.513000 26.945000 -6.620000 212 " " N A 2 "ASN " " CB " 6 0 0 1 3230 48.08 + 3231 2 26.202000 28.125000 -5.924000 212 " " N A 2 "ASN " " CG " 6 0 0 1 3231 48.08 + 3232 15 27.090000 27.934000 -5.098000 212 " " N A 2 "ASN " " OD1" 8 0 0 1 3232 48.08 + 3233 25 25.816000 29.355000 -6.272000 212 " " N A 2 "ASN " " ND2" 7 0 0 1 3233 48.08 + 3234 43 23.621000 25.699000 -4.882000 212 " " N A 2 "ASN " " H " 1 0 0 1 3234 68.27 + 3235 41 23.615000 27.965000 -6.811000 212 " " N A 2 "ASN " " HA " 1 0 0 1 3235 68.27 + 3236 41 25.815000 26.993000 -7.668000 212 " " N A 2 "ASN " " HB3" 1 0 0 1 3236 48.08 + 3237 41 25.907000 26.004000 -6.231000 212 " " N A 2 "ASN " " HB2" 1 0 0 1 3237 48.08 + 3238 43 26.240000 30.161000 -5.838000 212 " " N A 2 "ASN " "HD22" 1 0 0 1 3238 48.08 + 3239 43 25.086000 29.489000 -6.957000 212 " " N A 2 "ASN " "HD21" 1 0 0 1 3239 48.08 + 3240 25 21.970000 26.210000 -7.675000 213 " " E A 2 "GLU " " N " 7 0 0 1 3240 97.62 + 3241 3 21.177000 25.624000 -8.758000 213 " " E A 2 "GLU " " CA " 6 0 0 1 3241 97.62 + 3242 2 21.481000 26.420000 -10.042000 213 " " E A 2 "GLU " " C " 6 0 0 1 3242 97.62 + 3243 15 20.690000 27.271000 -10.450000 213 " " E A 2 "GLU " " O " 8 0 0 1 3243 102.03 + 3244 3 19.669000 25.621000 -8.385000 213 " " E A 2 "GLU " " CB " 6 0 0 1 3244 102.03 + 3245 3 19.193000 24.437000 -7.513000 213 " " E A 2 "GLU " " CG " 6 0 0 1 3245 102.03 + 3246 2 19.762000 24.406000 -6.092000 213 " " E A 2 "GLU " " CD " 6 0 0 1 3246 102.03 + 3247 15 20.881000 23.873000 -5.932000 213 " " E A 2 "GLU " " OE1" 8 0 0 1 3247 102.03 + 3248 18 19.058000 24.901000 -5.184000 213 " " E A 2 "GLU " " OE2" 8 -1 0 1 3248 102.03 + 3249 43 21.515000 26.943000 -7.152000 213 " " E A 2 "GLU " " H " 1 0 0 1 3249 97.62 + 3250 41 21.488000 24.592000 -8.932000 213 " " E A 2 "GLU " " HA " 1 0 0 1 3250 97.62 + 3251 41 19.068000 25.607000 -9.295000 213 " " E A 2 "GLU " " HB3" 1 0 0 1 3251 102.03 + 3252 41 19.410000 26.557000 -7.886000 213 " " E A 2 "GLU " " HB2" 1 0 0 1 3252 102.03 + 3253 41 19.438000 23.495000 -8.005000 213 " " E A 2 "GLU " " HG3" 1 0 0 1 3253 102.03 + 3254 41 18.105000 24.461000 -7.441000 213 " " E A 2 "GLU " " HG2" 1 0 0 1 3254 102.03 + 3255 25 22.686000 26.179000 -10.586000 214 " " C A 2 "CYS " " N " 7 0 0 1 3255 88.86 + 3256 3 23.354000 26.981000 -11.618000 214 " " C A 2 "CYS " " CA " 6 0 0 1 3256 88.86 + 3257 2 24.047000 25.960000 -12.582000 214 " " C A 2 "CYS " " C " 6 0 0 1 3257 88.86 + 3258 15 23.260000 25.185000 -13.172000 214 " " C A 2 "CYS " " O " 8 0 0 1 3258 91.66 + 3259 3 24.341000 28.034000 -11.024000 214 " " C A 2 "CYS " " CB " 6 0 0 1 3259 91.66 + 3260 49 23.587000 29.182000 -9.830000 214 " " C A 2 "CYS " " SG " 16 0 0 1 3260 91.66 + 3261 43 23.245000 25.430000 -10.201000 214 " " C A 2 "CYS " " H " 1 0 0 1 3261 88.86 + 3262 41 22.601000 27.483000 -12.230000 214 " " C A 2 "CYS " " HA " 1 0 0 1 3262 88.86 + 3263 41 24.792000 28.624000 -11.823000 214 " " C A 2 "CYS " " HB3" 1 0 0 1 3263 91.66 + 3264 41 25.160000 27.535000 -10.502000 214 " " C A 2 "CYS " " HB2" 1 0 0 1 3264 91.66 + 3265 41 22.783000 29.785000 -10.710000 214 " " C A 2 "CYS " " HG " 1 0 0 1 3265 91.66 + 3266 25 25.422000 26.040000 -12.665000 214 "A" X A 2 "NMA " " N " 7 0 0 1 3266 <> + 3267 3 26.152000 25.133000 -13.539000 214 "A" X A 2 "NMA " " CA " 6 0 0 1 3267 <> + 3268 43 25.921000 26.727000 -12.120000 214 "A" X A 2 "NMA " " H " 1 0 0 1 3268 <> + 3269 41 25.425000 24.460000 -14.046000 214 "A" X A 2 "NMA " "1HA " 1 0 0 1 3269 <> + 3270 41 26.718000 25.717000 -14.299000 214 "A" X A 2 "NMA " "2HA " 1 0 0 1 3270 <> + 3271 41 26.869000 24.529000 -12.939000 214 "A" X A 2 "NMA " "3HA " 1 0 0 1 3271 <> + 3272 3 -1.350000 -11.373000 19.719000 0 " " X B 2 "ACE " " CH3" 6 0 0 1 3273 <> + 3273 2 -2.549000 -12.248000 20.086000 0 " " X B 2 "ACE " " C " 6 0 0 1 3274 <> + 3274 15 -2.845000 -12.413000 21.267000 0 " " X B 2 "ACE " " O " 8 0 0 1 3275 <> + 3275 41 -0.879000 -10.981000 20.648000 0 " " X B 2 "ACE " "1H " 1 0 0 1 3276 <> + 3276 41 -0.607000 -11.978000 19.152000 0 " " X B 2 "ACE " "2H " 1 0 0 1 3277 <> + 3277 41 -1.688000 -10.524000 19.084000 0 " " X B 2 "ACE " "3H " 1 0 0 1 3278 <> + 3278 25 -3.298000 -12.851000 19.096000 1 " " E B 2 "GLU " " N " 7 0 0 1 3279 67.45 + 3279 3 -4.473000 -13.707000 19.462000 1 " " E B 2 "GLU " " CA " 6 0 0 1 3280 67.45 + 3280 2 -5.429000 -12.712000 20.150000 1 " " E B 2 "GLU " " C " 6 0 0 1 3281 67.45 + 3281 15 -6.419000 -12.326000 19.528000 1 " " E B 2 "GLU " " O " 8 0 0 1 3282 95.86 + 3282 3 -4.016000 -14.951000 20.270000 1 " " E B 2 "GLU " " CB " 6 0 0 1 3283 95.86 + 3283 3 -5.094000 -16.019000 20.560000 1 " " E B 2 "GLU " " CG " 6 0 0 1 3284 95.86 + 3284 2 -6.021000 -15.687000 21.727000 1 " " E B 2 "GLU " " CD " 6 0 0 1 3285 95.86 + 3285 15 -5.480000 -15.409000 22.819000 1 " " E B 2 "GLU " " OE1" 8 0 0 1 3286 95.86 + 3286 18 -7.250000 -15.730000 21.506000 1 " " E B 2 "GLU " " OE2" 8 -1 0 1 3287 95.86 + 3287 43 -3.055000 -12.715000 18.125000 1 " " E B 2 "GLU " " H2 " 1 0 0 1 3288 67.45 + 3288 41 -4.885000 -14.020000 18.501000 1 " " E B 2 "GLU " " HA " 1 0 0 1 3289 67.45 + 3289 41 -3.538000 -14.642000 21.202000 1 " " E B 2 "GLU " " HB3" 1 0 0 1 3290 95.86 + 3290 41 -3.226000 -15.448000 19.706000 1 " " E B 2 "GLU " " HB2" 1 0 0 1 3291 95.86 + 3291 41 -4.603000 -16.960000 20.810000 1 " " E B 2 "GLU " " HG3" 1 0 0 1 3292 95.86 + 3292 41 -5.680000 -16.214000 19.661000 1 " " E B 2 "GLU " " HG2" 1 0 0 1 3293 95.86 + 3293 25 -5.101000 -12.279000 21.383000 2 " " I B 2 "ILE " " N " 7 0 0 1 3294 59.69 + 3294 3 -5.786000 -11.183000 22.069000 2 " " I B 2 "ILE " " CA " 6 0 0 1 3295 59.69 + 3295 2 -5.289000 -9.817000 21.556000 2 " " I B 2 "ILE " " C " 6 0 0 1 3296 59.69 + 3296 15 -4.089000 -9.668000 21.323000 2 " " I B 2 "ILE " " O " 8 0 0 1 3297 26.84 + 3297 3 -5.606000 -11.265000 23.616000 2 " " I B 2 "ILE " " CB " 6 0 0 1 3298 26.84 + 3298 3 -6.415000 -12.445000 24.191000 2 " " I B 2 "ILE " " CG1" 6 0 0 1 3299 26.84 + 3299 3 -5.970000 -9.978000 24.393000 2 " " I B 2 "ILE " " CG2" 6 0 0 1 3300 26.84 + 3300 3 -5.783000 -13.086000 25.432000 2 " " I B 2 "ILE " " CD1" 6 0 0 1 3301 26.84 + 3301 43 -4.305000 -12.671000 21.866000 2 " " I B 2 "ILE " " H " 1 0 0 1 3302 59.69 + 3302 41 -6.842000 -11.283000 21.858000 2 " " I B 2 "ILE " " HA " 1 0 0 1 3303 59.69 + 3303 41 -4.551000 -11.468000 23.806000 2 " " I B 2 "ILE " " HB " 1 0 0 1 3304 26.84 + 3304 41 -6.537000 -13.221000 23.439000 2 " " I B 2 "ILE " "HG13" 1 0 0 1 3305 26.84 + 3305 41 -7.428000 -12.121000 24.418000 2 " " I B 2 "ILE " "HG12" 1 0 0 1 3306 26.84 + 3306 41 -5.977000 -10.145000 25.469000 2 " " I B 2 "ILE " "HG21" 1 0 0 1 3307 26.84 + 3307 41 -5.270000 -9.168000 24.200000 2 " " I B 2 "ILE " "HG22" 1 0 0 1 3308 26.84 + 3308 41 -6.957000 -9.616000 24.117000 2 " " I B 2 "ILE " "HG23" 1 0 0 1 3309 26.84 + 3309 41 -6.431000 -13.864000 25.835000 2 " " I B 2 "ILE " "HD11" 1 0 0 1 3310 26.84 + 3310 41 -4.826000 -13.548000 25.186000 2 " " I B 2 "ILE " "HD12" 1 0 0 1 3311 26.84 + 3311 41 -5.609000 -12.355000 26.219000 2 " " I B 2 "ILE " "HD13" 1 0 0 1 3312 26.84 + 3312 25 -6.209000 -8.843000 21.440000 3 " " Q B 2 "GLN " " N " 7 0 2 1 3313 23.64 + 3313 3 -5.895000 -7.440000 21.157000 3 " " Q B 2 "GLN " " CA " 6 0 2 1 3314 23.64 + 3314 2 -7.093000 -6.521000 21.442000 3 " " Q B 2 "GLN " " C " 6 0 2 1 3315 23.64 + 3315 15 -8.243000 -6.945000 21.329000 3 " " Q B 2 "GLN " " O " 8 0 2 1 3316 72.62 + 3316 3 -5.360000 -7.245000 19.717000 3 " " Q B 2 "GLN " " CB " 6 0 2 1 3317 72.62 + 3317 3 -6.325000 -7.689000 18.602000 3 " " Q B 2 "GLN " " CG " 6 0 2 1 3318 72.62 + 3318 2 -5.788000 -7.359000 17.210000 3 " " Q B 2 "GLN " " CD " 6 0 2 1 3319 72.62 + 3319 15 -5.439000 -6.215000 16.931000 3 " " Q B 2 "GLN " " OE1" 8 0 2 1 3320 72.62 + 3320 25 -5.748000 -8.353000 16.321000 3 " " Q B 2 "GLN " " NE2" 7 0 2 1 3321 72.62 + 3321 43 -7.180000 -9.047000 21.636000 3 " " Q B 2 "GLN " " H " 1 0 2 1 3322 23.64 + 3322 41 -5.105000 -7.149000 21.853000 3 " " Q B 2 "GLN " " HA " 1 0 2 1 3323 23.64 + 3323 41 -4.409000 -7.765000 19.599000 3 " " Q B 2 "GLN " " HB3" 1 0 2 1 3324 72.62 + 3324 41 -5.120000 -6.189000 19.583000 3 " " Q B 2 "GLN " " HB2" 1 0 2 1 3325 72.62 + 3325 41 -7.277000 -7.172000 18.705000 3 " " Q B 2 "GLN " " HG3" 1 0 2 1 3326 72.62 + 3326 41 -6.532000 -8.758000 18.682000 3 " " Q B 2 "GLN " " HG2" 1 0 2 1 3327 72.62 + 3327 43 -5.413000 -8.175000 15.386000 3 " " Q B 2 "GLN " "HE22" 1 0 2 1 3328 72.62 + 3328 43 -6.057000 -9.280000 16.572000 3 " " Q B 2 "GLN " "HE21" 1 0 2 1 3329 72.62 + 3329 25 -6.771000 -5.263000 21.775000 4 " " L B 2 "LEU " " N " 7 0 2 1 3330 23.85 + 3330 3 -7.706000 -4.160000 21.980000 4 " " L B 2 "LEU " " CA " 6 0 2 1 3331 23.85 + 3331 2 -7.341000 -3.083000 20.942000 4 " " L B 2 "LEU " " C " 6 0 2 1 3332 23.85 + 3332 15 -6.172000 -2.701000 20.880000 4 " " L B 2 "LEU " " O " 8 0 2 1 3333 18.22 + 3333 3 -7.557000 -3.596000 23.417000 4 " " L B 2 "LEU " " CB " 6 0 2 1 3334 18.22 + 3334 3 -8.038000 -4.506000 24.577000 4 " " L B 2 "LEU " " CG " 6 0 2 1 3335 18.22 + 3335 3 -7.087000 -5.693000 24.833000 4 " " L B 2 "LEU " " CD1" 6 0 2 1 3336 18.22 + 3336 3 -8.201000 -3.679000 25.871000 4 " " L B 2 "LEU " " CD2" 6 0 2 1 3337 18.22 + 3337 43 -5.796000 -5.005000 21.824000 4 " " L B 2 "LEU " " H " 1 0 2 1 3338 23.85 + 3338 41 -8.734000 -4.483000 21.831000 4 " " L B 2 "LEU " " HA " 1 0 2 1 3339 23.85 + 3339 41 -8.143000 -2.678000 23.457000 4 " " L B 2 "LEU " " HB3" 1 0 2 1 3340 18.22 + 3340 41 -6.527000 -3.293000 23.599000 4 " " L B 2 "LEU " " HB2" 1 0 2 1 3341 18.22 + 3341 41 -9.020000 -4.909000 24.323000 4 " " L B 2 "LEU " " HG " 1 0 2 1 3342 18.22 + 3342 41 -6.999000 -5.953000 25.887000 4 " " L B 2 "LEU " "HD11" 1 0 2 1 3343 18.22 + 3343 41 -7.427000 -6.589000 24.320000 4 " " L B 2 "LEU " "HD12" 1 0 2 1 3344 18.22 + 3344 41 -6.080000 -5.483000 24.472000 4 " " L B 2 "LEU " "HD13" 1 0 2 1 3345 18.22 + 3345 41 -7.947000 -4.232000 26.775000 4 " " L B 2 "LEU " "HD21" 1 0 2 1 3346 18.22 + 3346 41 -7.563000 -2.795000 25.862000 4 " " L B 2 "LEU " "HD22" 1 0 2 1 3347 18.22 + 3347 41 -9.224000 -3.337000 25.995000 4 " " L B 2 "LEU " "HD23" 1 0 2 1 3348 18.22 + 3348 25 -8.320000 -2.616000 20.149000 5 " " Q B 2 "GLN " " N " 7 0 2 1 3349 9.26 + 3349 3 -8.101000 -1.625000 19.085000 5 " " Q B 2 "GLN " " CA " 6 0 2 1 3350 9.26 + 3350 2 -8.963000 -0.376000 19.266000 5 " " Q B 2 "GLN " " C " 6 0 2 1 3351 9.26 + 3351 15 -10.154000 -0.475000 19.558000 5 " " Q B 2 "GLN " " O " 8 0 2 1 3352 62.42 + 3352 3 -8.239000 -2.246000 17.680000 5 " " Q B 2 "GLN " " CB " 6 0 2 1 3353 62.42 + 3353 3 -9.500000 -3.100000 17.441000 5 " " Q B 2 "GLN " " CG " 6 0 2 1 3354 62.42 + 3354 2 -9.131000 -4.535000 17.072000 5 " " Q B 2 "GLN " " CD " 6 0 2 1 3355 62.42 + 3355 15 -8.660000 -4.790000 15.967000 5 " " Q B 2 "GLN " " OE1" 8 0 2 1 3356 62.42 + 3356 25 -9.333000 -5.474000 17.997000 5 " " Q B 2 "GLN " " NE2" 7 0 2 1 3357 62.42 + 3357 43 -9.264000 -2.963000 20.254000 5 " " Q B 2 "GLN " " H " 1 0 2 1 3358 9.26 + 3358 41 -7.069000 -1.278000 19.137000 5 " " Q B 2 "GLN " " HA " 1 0 2 1 3359 9.26 + 3359 41 -7.335000 -2.827000 17.485000 5 " " Q B 2 "GLN " " HB3" 1 0 2 1 3360 62.42 + 3360 41 -8.211000 -1.451000 16.932000 5 " " Q B 2 "GLN " " HB2" 1 0 2 1 3361 62.42 + 3361 41 -10.081000 -2.676000 16.622000 5 " " Q B 2 "GLN " " HG3" 1 0 2 1 3362 62.42 + 3362 41 -10.157000 -3.087000 18.306000 5 " " Q B 2 "GLN " " HG2" 1 0 2 1 3363 62.42 + 3363 43 -9.094000 -6.435000 17.800000 5 " " Q B 2 "GLN " "HE22" 1 0 2 1 3364 62.42 + 3364 43 -9.708000 -5.223000 18.903000 5 " " Q B 2 "GLN " "HE21" 1 0 2 1 3365 62.42 + 3365 25 -8.302000 0.776000 19.087000 6 " " Q B 2 "GLN " " N " 7 0 2 1 3366 2.48 + 3366 3 -8.818000 2.104000 19.383000 6 " " Q B 2 "GLN " " CA " 6 0 2 1 3367 2.48 + 3367 2 -8.664000 3.050000 18.176000 6 " " Q B 2 "GLN " " C " 6 0 2 1 3368 2.48 + 3368 15 -7.941000 2.736000 17.230000 6 " " Q B 2 "GLN " " O " 8 0 2 1 3369 2.48 + 3369 3 -8.049000 2.633000 20.604000 6 " " Q B 2 "GLN " " CB " 6 0 2 1 3370 2.48 + 3370 3 -8.235000 1.809000 21.896000 6 " " Q B 2 "GLN " " CG " 6 0 2 1 3371 2.48 + 3371 2 -7.589000 2.482000 23.106000 6 " " Q B 2 "GLN " " CD " 6 0 2 1 3372 2.48 + 3372 15 -6.784000 1.873000 23.806000 6 " " Q B 2 "GLN " " OE1" 8 0 2 1 3373 2.48 + 3373 25 -7.932000 3.746000 23.355000 6 " " Q B 2 "GLN " " NE2" 7 0 2 1 3374 2.48 + 3374 43 -7.324000 0.746000 18.839000 6 " " Q B 2 "GLN " " H " 1 0 2 1 3375 2.48 + 3375 41 -9.881000 2.053000 19.623000 6 " " Q B 2 "GLN " " HA " 1 0 2 1 3376 2.48 + 3376 41 -8.417000 3.630000 20.793000 6 " " Q B 2 "GLN " " HB3" 1 0 2 1 3377 2.48 + 3377 41 -6.988000 2.726000 20.369000 6 " " Q B 2 "GLN " " HB2" 1 0 2 1 3378 2.48 + 3378 41 -7.806000 0.813000 21.781000 6 " " Q B 2 "GLN " " HG3" 1 0 2 1 3379 2.48 + 3379 41 -9.294000 1.671000 22.110000 6 " " Q B 2 "GLN " " HG2" 1 0 2 1 3380 2.48 + 3380 43 -7.487000 4.256000 24.106000 6 " " Q B 2 "GLN " "HE22" 1 0 2 1 3381 2.48 + 3381 43 -8.579000 4.228000 22.747000 6 " " Q B 2 "GLN " "HE21" 1 0 2 1 3382 2.48 + 3382 25 -9.370000 4.194000 18.241000 7 " " S B 2 "SER " " N " 7 0 0 1 3383 13.48 + 3383 3 -9.546000 5.183000 17.166000 7 " " S B 2 "SER " " CA " 6 0 0 1 3384 13.48 + 3384 2 -8.259000 5.810000 16.583000 7 " " S B 2 "SER " " C " 6 0 0 1 3385 13.48 + 3385 15 -8.304000 6.283000 15.448000 7 " " S B 2 "SER " " O " 8 0 0 1 3386 55.84 + 3386 3 -10.488000 6.295000 17.672000 7 " " S B 2 "SER " " CB " 6 0 0 1 3387 55.84 + 3387 16 -11.780000 5.781000 17.927000 7 " " S B 2 "SER " " OG " 8 0 0 1 3388 55.84 + 3388 43 -9.945000 4.357000 19.056000 7 " " S B 2 "SER " " H " 1 0 0 1 3389 13.48 + 3389 41 -10.038000 4.668000 16.339000 7 " " S B 2 "SER " " HA " 1 0 0 1 3390 13.48 + 3390 41 -10.586000 7.091000 16.932000 7 " " S B 2 "SER " " HB3" 1 0 0 1 3391 55.84 + 3391 41 -10.100000 6.754000 18.581000 7 " " S B 2 "SER " " HB2" 1 0 0 1 3392 55.84 + 3392 42 -12.384000 6.522000 18.026000 7 " " S B 2 "SER " " HG " 1 0 0 1 3393 55.84 + 3393 25 -7.149000 5.803000 17.346000 8 " " G B 2 "GLY " " N " 7 0 0 1 3394 8.74 + 3394 3 -5.823000 6.276000 16.933000 8 " " G B 2 "GLY " " CA " 6 0 0 1 3395 8.74 + 3395 2 -5.695000 7.804000 17.029000 8 " " G B 2 "GLY " " C " 6 0 0 1 3396 8.74 + 3396 15 -4.786000 8.302000 17.694000 8 " " G B 2 "GLY " " O " 8 0 0 1 3397 10.3 + 3397 43 -7.197000 5.367000 18.254000 8 " " G B 2 "GLY " " H " 1 0 0 1 3398 8.74 + 3398 41 -5.606000 5.957000 15.912000 8 " " G B 2 "GLY " " HA3" 1 0 0 1 3399 8.74 + 3399 41 -5.076000 5.809000 17.576000 8 " " G B 2 "GLY " " HA2" 1 0 0 1 3400 8.74 + 3400 25 -6.612000 8.538000 16.383000 9 " " A B 2 "ALA " " N " 7 0 2 1 3401 2.48 + 3401 3 -6.692000 9.994000 16.398000 9 " " A B 2 "ALA " " CA " 6 0 2 1 3402 2.48 + 3402 2 -8.153000 10.429000 16.405000 9 " " A B 2 "ALA " " C " 6 0 2 1 3403 2.48 + 3403 15 -9.025000 9.689000 15.945000 9 " " A B 2 "ALA " " O " 8 0 2 1 3404 70.05 + 3404 3 -5.970000 10.556000 15.175000 9 " " A B 2 "ALA " " CB " 6 0 2 1 3405 70.05 + 3405 43 -7.345000 8.067000 15.868000 9 " " A B 2 "ALA " " H " 1 0 2 1 3406 2.48 + 3406 41 -6.219000 10.382000 17.303000 9 " " A B 2 "ALA " " HA " 1 0 2 1 3407 2.48 + 3407 41 -5.982000 11.646000 15.181000 9 " " A B 2 "ALA " " HB1" 1 0 2 1 3408 70.05 + 3408 41 -4.933000 10.241000 15.185000 9 " " A B 2 "ALA " " HB2" 1 0 2 1 3409 70.05 + 3409 41 -6.423000 10.208000 14.247000 9 " " A B 2 "ALA " " HB3" 1 0 2 1 3410 70.05 + 3410 25 -8.382000 11.633000 16.946000 10 " " E B 2 "GLU " " N " 7 0 2 1 3411 8.93 + 3411 3 -9.715000 12.157000 17.191000 10 " " E B 2 "GLU " " CA " 6 0 2 1 3412 8.93 + 3412 2 -9.590000 13.665000 17.450000 10 " " E B 2 "GLU " " C " 6 0 2 1 3413 8.93 + 3413 15 -9.030000 14.054000 18.475000 10 " " E B 2 "GLU " " O " 8 0 2 1 3414 30.2 + 3414 3 -10.323000 11.388000 18.396000 10 " " E B 2 "GLU " " CB " 6 0 2 1 3415 30.2 + 3415 3 -11.833000 11.576000 18.604000 10 " " E B 2 "GLU " " CG " 6 0 2 1 3416 30.2 + 3416 2 -12.658000 10.923000 17.495000 10 " " E B 2 "GLU " " CD " 6 0 2 1 3417 30.2 + 3417 15 -12.525000 9.689000 17.338000 10 " " E B 2 "GLU " " OE1" 8 0 2 1 3418 30.2 + 3418 18 -13.405000 11.669000 16.827000 10 " " E B 2 "GLU " " OE2" 8 -1 2 1 3419 30.2 + 3419 43 -7.615000 12.187000 17.300000 10 " " E B 2 "GLU " " H " 1 0 2 1 3420 8.93 + 3420 41 -10.322000 11.996000 16.297000 10 " " E B 2 "GLU " " HA " 1 0 2 1 3421 8.93 + 3421 41 -9.798000 11.676000 19.305000 10 " " E B 2 "GLU " " HB3" 1 0 2 1 3422 30.2 + 3422 41 -10.128000 10.318000 18.313000 10 " " E B 2 "GLU " " HB2" 1 0 2 1 3423 30.2 + 3423 41 -12.084000 12.633000 18.684000 10 " " E B 2 "GLU " " HG3" 1 0 2 1 3424 30.2 + 3424 41 -12.123000 11.111000 19.544000 10 " " E B 2 "GLU " " HG2" 1 0 2 1 3425 30.2 + 3425 25 -10.112000 14.485000 16.523000 11 " " L B 2 "LEU " " N " 7 0 2 1 3426 25.49 + 3426 3 -10.244000 15.932000 16.697000 11 " " L B 2 "LEU " " CA " 6 0 2 1 3427 25.49 + 3427 2 -11.690000 16.234000 17.100000 11 " " L B 2 "LEU " " C " 6 0 2 1 3428 25.49 + 3428 15 -12.606000 15.746000 16.438000 11 " " L B 2 "LEU " " O " 8 0 2 1 3429 2.48 + 3429 3 -9.887000 16.655000 15.380000 11 " " L B 2 "LEU " " CB " 6 0 2 1 3430 2.48 + 3430 3 -9.805000 18.197000 15.487000 11 " " L B 2 "LEU " " CG " 6 0 2 1 3431 2.48 + 3431 3 -8.751000 18.692000 16.499000 11 " " L B 2 "LEU " " CD1" 6 0 2 1 3432 2.48 + 3432 3 -9.570000 18.799000 14.097000 11 " " L B 2 "LEU " " CD2" 6 0 2 1 3433 2.48 + 3433 43 -10.561000 14.095000 15.707000 11 " " L B 2 "LEU " " H " 1 0 2 1 3434 25.49 + 3434 41 -9.569000 16.272000 17.480000 11 " " L B 2 "LEU " " HA " 1 0 2 1 3435 25.49 + 3435 41 -10.625000 16.392000 14.620000 11 " " L B 2 "LEU " " HB3" 1 0 2 1 3436 2.48 + 3436 41 -8.949000 16.268000 14.994000 11 " " L B 2 "LEU " " HB2" 1 0 2 1 3437 2.48 + 3437 41 -10.774000 18.568000 15.821000 11 " " L B 2 "LEU " " HG " 1 0 2 1 3438 2.48 + 3438 41 -8.108000 19.459000 16.074000 11 " " L B 2 "LEU " "HD11" 1 0 2 1 3439 2.48 + 3439 41 -9.229000 19.121000 17.381000 11 " " L B 2 "LEU " "HD12" 1 0 2 1 3440 2.48 + 3440 41 -8.097000 17.891000 16.838000 11 " " L B 2 "LEU " "HD13" 1 0 2 1 3441 2.48 + 3441 41 -9.535000 19.882000 14.128000 11 " " L B 2 "LEU " "HD21" 1 0 2 1 3442 2.48 + 3442 41 -8.631000 18.457000 13.667000 11 " " L B 2 "LEU " "HD22" 1 0 2 1 3443 2.48 + 3443 41 -10.369000 18.519000 13.410000 11 " " L B 2 "LEU " "HD23" 1 0 2 1 3444 2.48 + 3444 25 -11.870000 17.033000 18.161000 12 " " V B 2 "VAL " " N " 7 0 2 1 3445 19.02 + 3445 3 -13.194000 17.379000 18.677000 12 " " V B 2 "VAL " " CA " 6 0 2 1 3446 19.02 + 3446 2 -13.223000 18.870000 19.041000 12 " " V B 2 "VAL " " C " 6 0 2 1 3447 19.02 + 3447 15 -12.222000 19.413000 19.501000 12 " " V B 2 "VAL " " O " 8 0 2 1 3448 8.79 + 3448 3 -13.566000 16.559000 19.947000 12 " " V B 2 "VAL " " CB " 6 0 2 1 3449 8.79 + 3449 3 -15.045000 16.737000 20.344000 12 " " V B 2 "VAL " " CG1" 6 0 2 1 3450 8.79 + 3450 3 -13.282000 15.059000 19.792000 12 " " V B 2 "VAL " " CG2" 6 0 2 1 3451 8.79 + 3451 43 -11.075000 17.398000 18.671000 12 " " V B 2 "VAL " " H " 1 0 2 1 3452 19.02 + 3452 41 -13.954000 17.214000 17.912000 12 " " V B 2 "VAL " " HA " 1 0 2 1 3453 19.02 + 3453 41 -12.955000 16.903000 20.785000 12 " " V B 2 "VAL " " HB " 1 0 2 1 3454 8.79 + 3454 41 -15.334000 16.044000 21.132000 12 " " V B 2 "VAL " "HG11" 1 0 2 1 3455 8.79 + 3455 41 -15.240000 17.737000 20.723000 12 " " V B 2 "VAL " "HG12" 1 0 2 1 3456 8.79 + 3456 41 -15.710000 16.559000 19.499000 12 " " V B 2 "VAL " "HG13" 1 0 2 1 3457 8.79 + 3457 41 -13.532000 14.531000 20.708000 12 " " V B 2 "VAL " "HG21" 1 0 2 1 3458 8.79 + 3458 41 -13.860000 14.619000 18.978000 12 " " V B 2 "VAL " "HG22" 1 0 2 1 3459 8.79 + 3459 41 -12.228000 14.865000 19.600000 12 " " V B 2 "VAL " "HG23" 1 0 2 1 3460 8.79 + 3460 25 -14.381000 19.505000 18.826000 13 " " R B 2 "ARG " " N " 7 0 0 1 3461 16.62 + 3461 3 -14.617000 20.911000 19.145000 13 " " R B 2 "ARG " " CA " 6 0 0 1 3462 16.62 + 3462 2 -14.974000 21.068000 20.640000 13 " " R B 2 "ARG " " C " 6 0 0 1 3463 16.62 + 3463 15 -15.706000 20.226000 21.159000 13 " " R B 2 "ARG " " O " 8 0 0 1 3464 59.42 + 3464 3 -15.741000 21.435000 18.221000 13 " " R B 2 "ARG " " CB " 6 0 0 1 3465 59.42 + 3465 3 -15.491000 21.165000 16.719000 13 " " R B 2 "ARG " " CG " 6 0 0 1 3466 59.42 + 3466 3 -14.313000 21.961000 16.133000 13 " " R B 2 "ARG " " CD " 6 0 0 1 3467 59.42 + 3467 25 -13.880000 21.431000 14.832000 13 " " R B 2 "ARG " " NE " 7 0 0 1 3468 59.42 + 3468 2 -12.617000 21.138000 14.473000 13 " " R B 2 "ARG " " CZ " 6 0 0 1 3469 59.42 + 3469 25 -11.585000 21.289000 15.312000 13 " " R B 2 "ARG " " NH1" 7 0 0 1 3470 59.42 + 3470 31 -12.378000 20.681000 13.240000 13 " " R B 2 "ARG " " NH2" 7 1 0 1 3471 59.42 + 3471 43 -15.171000 18.993000 18.461000 13 " " R B 2 "ARG " " H " 1 0 0 1 3472 16.62 + 3472 41 -13.699000 21.450000 18.925000 13 " " R B 2 "ARG " " HA " 1 0 0 1 3473 16.62 + 3473 41 -15.879000 22.504000 18.384000 13 " " R B 2 "ARG " " HB3" 1 0 0 1 3474 59.42 + 3474 41 -16.685000 20.963000 18.499000 13 " " R B 2 "ARG " " HB2" 1 0 0 1 3475 59.42 + 3475 41 -16.392000 21.515000 16.213000 13 " " R B 2 "ARG " " HG3" 1 0 0 1 3476 59.42 + 3476 41 -15.418000 20.104000 16.480000 13 " " R B 2 "ARG " " HG2" 1 0 0 1 3477 59.42 + 3477 41 -13.507000 22.103000 16.843000 13 " " R B 2 "ARG " " HD3" 1 0 0 1 3478 59.42 + 3478 41 -14.668000 22.963000 15.890000 13 " " R B 2 "ARG " " HD2" 1 0 0 1 3479 59.42 + 3479 43 -14.611000 21.315000 14.145000 13 " " R B 2 "ARG " " HE " 1 0 0 1 3480 59.42 + 3480 43 -10.636000 21.144000 14.995000 13 " " R B 2 "ARG " "HH12" 1 0 0 1 3481 59.42 + 3481 43 -11.735000 21.588000 16.268000 13 " " R B 2 "ARG " "HH11" 1 0 0 1 3482 59.42 + 3482 44 -11.439000 20.434000 12.967000 13 " " R B 2 "ARG " "HH22" 1 0 0 1 3483 59.42 + 3483 44 -13.136000 20.553000 12.584000 13 " " R B 2 "ARG " "HH21" 1 0 0 1 3484 59.42 + 3484 25 -14.446000 22.113000 21.321000 14 " " P B 2 "PRO " " N " 7 0 0 1 3485 15.3 + 3485 3 -14.707000 22.340000 22.757000 14 " " P B 2 "PRO " " CA " 6 0 0 1 3486 15.3 + 3486 2 -16.199000 22.552000 23.078000 14 " " P B 2 "PRO " " C " 6 0 0 1 3487 15.3 + 3487 15 -16.896000 23.250000 22.342000 14 " " P B 2 "PRO " " O " 8 0 0 1 3488 8.93 + 3488 3 -13.856000 23.575000 23.097000 14 " " P B 2 "PRO " " CB " 6 0 0 1 3489 8.93 + 3489 3 -13.694000 24.312000 21.779000 14 " " P B 2 "PRO " " CG " 6 0 0 1 3490 8.93 + 3490 3 -13.610000 23.179000 20.765000 14 " " P B 2 "PRO " " CD " 6 0 0 1 3491 8.93 + 3491 41 -14.344000 21.483000 23.329000 14 " " P B 2 "PRO " " HA " 1 0 0 1 3492 15.3 + 3492 41 -12.879000 23.249000 23.458000 14 " " P B 2 "PRO " " HB3" 1 0 0 1 3493 8.93 + 3493 41 -14.289000 24.206000 23.874000 14 " " P B 2 "PRO " " HB2" 1 0 0 1 3494 8.93 + 3494 41 -12.831000 24.978000 21.756000 14 " " P B 2 "PRO " " HG3" 1 0 0 1 3495 8.93 + 3495 41 -14.586000 24.909000 21.584000 14 " " P B 2 "PRO " " HG2" 1 0 0 1 3496 8.93 + 3496 41 -13.931000 23.521000 19.781000 14 " " P B 2 "PRO " " HD2" 1 0 0 1 3497 8.93 + 3497 41 -12.587000 22.809000 20.691000 14 " " P B 2 "PRO " " HD3" 1 0 0 1 3498 8.93 + 3498 25 -16.649000 21.902000 24.160000 15 " " G B 2 "GLY " " N " 7 0 0 1 3499 21.1 + 3499 3 -18.027000 21.912000 24.642000 15 " " G B 2 "GLY " " CA " 6 0 0 1 3500 21.1 + 3500 2 -18.807000 20.687000 24.144000 15 " " G B 2 "GLY " " C " 6 0 0 1 3501 21.1 + 3501 15 -19.732000 20.258000 24.832000 15 " " G B 2 "GLY " " O " 8 0 0 1 3502 42.98 + 3502 43 -15.986000 21.381000 24.719000 15 " " G B 2 "GLY " " H " 1 0 0 1 3503 21.1 + 3503 41 -18.550000 22.822000 24.344000 15 " " G B 2 "GLY " " HA3" 1 0 0 1 3504 21.1 + 3504 41 -18.006000 21.902000 25.733000 15 " " G B 2 "GLY " " HA2" 1 0 0 1 3505 21.1 + 3505 25 -18.426000 20.096000 22.994000 16 " " A B 2 "ALA " " N " 7 0 0 1 3506 29.24 + 3506 3 -18.998000 18.849000 22.478000 16 " " A B 2 "ALA " " CA " 6 0 0 1 3507 29.24 + 3507 2 -18.601000 17.640000 23.342000 16 " " A B 2 "ALA " " C " 6 0 0 1 3508 29.24 + 3508 15 -17.679000 17.740000 24.152000 16 " " A B 2 "ALA " " O " 8 0 0 1 3509 50.96 + 3509 3 -18.540000 18.647000 21.024000 16 " " A B 2 "ALA " " CB " 6 0 0 1 3510 50.96 + 3510 43 -17.647000 20.476000 22.475000 16 " " A B 2 "ALA " " H " 1 0 0 1 3511 29.24 + 3511 41 -20.086000 18.944000 22.489000 16 " " A B 2 "ALA " " HA " 1 0 0 1 3512 29.24 + 3512 41 -19.094000 17.837000 20.547000 16 " " A B 2 "ALA " " HB1" 1 0 0 1 3513 50.96 + 3513 41 -18.701000 19.546000 20.427000 16 " " A B 2 "ALA " " HB2" 1 0 0 1 3514 50.96 + 3514 41 -17.484000 18.391000 20.967000 16 " " A B 2 "ALA " " HB3" 1 0 0 1 3515 50.96 + 3515 25 -19.302000 16.516000 23.138000 17 " " L B 2 "LEU " " N " 7 0 0 1 3516 10.06 + 3516 3 -18.965000 15.225000 23.735000 17 " " L B 2 "LEU " " CA " 6 0 0 1 3517 10.06 + 3517 2 -18.448000 14.286000 22.638000 17 " " L B 2 "LEU " " C " 6 0 0 1 3518 10.06 + 3518 15 -18.788000 14.445000 21.465000 17 " " L B 2 "LEU " " O " 8 0 0 1 3519 34.98 + 3519 3 -20.175000 14.696000 24.553000 17 " " L B 2 "LEU " " CB " 6 0 0 1 3520 34.98 + 3520 3 -21.379000 14.086000 23.801000 17 " " L B 2 "LEU " " CG " 6 0 0 1 3521 34.98 + 3521 3 -21.112000 12.659000 23.268000 17 " " L B 2 "LEU " " CD1" 6 0 0 1 3522 34.98 + 3522 3 -22.604000 14.084000 24.733000 17 " " L B 2 "LEU " " CD2" 6 0 0 1 3523 34.98 + 3523 43 -20.040000 16.503000 22.449000 17 " " L B 2 "LEU " " H " 1 0 0 1 3524 10.06 + 3524 41 -18.144000 15.353000 24.442000 17 " " L B 2 "LEU " " HA " 1 0 0 1 3525 10.06 + 3525 41 -20.527000 15.524000 25.171000 17 " " L B 2 "LEU " " HB3" 1 0 0 1 3526 34.98 + 3526 41 -19.841000 13.951000 25.268000 17 " " L B 2 "LEU " " HB2" 1 0 0 1 3527 34.98 + 3527 41 -21.620000 14.727000 22.952000 17 " " L B 2 "LEU " " HG " 1 0 0 1 3528 34.98 + 3528 41 -21.896000 11.955000 23.548000 17 " " L B 2 "LEU " "HD11" 1 0 0 1 3529 34.98 + 3529 41 -21.053000 12.656000 22.180000 17 " " L B 2 "LEU " "HD12" 1 0 0 1 3530 34.98 + 3530 41 -20.178000 12.246000 23.648000 17 " " L B 2 "LEU " "HD13" 1 0 0 1 3531 34.98 + 3531 41 -23.404000 13.447000 24.354000 17 " " L B 2 "LEU " "HD21" 1 0 0 1 3532 34.98 + 3532 41 -22.346000 13.734000 25.734000 17 " " L B 2 "LEU " "HD22" 1 0 0 1 3533 34.98 + 3533 41 -23.015000 15.088000 24.831000 17 " " L B 2 "LEU " "HD23" 1 0 0 1 3534 34.98 + 3534 25 -17.625000 13.322000 23.061000 18 " " V B 2 "VAL " " N " 7 0 2 1 3535 14.24 + 3535 3 -16.968000 12.350000 22.196000 18 " " V B 2 "VAL " " CA " 6 0 2 1 3536 14.24 + 3536 2 -16.978000 10.984000 22.885000 18 " " V B 2 "VAL " " C " 6 0 2 1 3537 14.24 + 3537 15 -16.782000 10.924000 24.095000 18 " " V B 2 "VAL " " O " 8 0 2 1 3538 21.02 + 3538 3 -15.504000 12.776000 21.901000 18 " " V B 2 "VAL " " CB " 6 0 2 1 3539 21.02 + 3539 3 -14.637000 12.974000 23.163000 18 " " V B 2 "VAL " " CG1" 6 0 2 1 3540 21.02 + 3540 3 -14.793000 11.832000 20.912000 18 " " V B 2 "VAL " " CG2" 6 0 2 1 3541 21.02 + 3541 43 -17.420000 13.236000 24.048000 18 " " V B 2 "VAL " " H " 1 0 2 1 3542 14.24 + 3542 41 -17.512000 12.262000 21.253000 18 " " V B 2 "VAL " " HA " 1 0 2 1 3543 14.24 + 3543 41 -15.575000 13.746000 21.412000 18 " " V B 2 "VAL " " HB " 1 0 2 1 3544 21.02 + 3544 41 -13.721000 13.509000 22.925000 18 " " V B 2 "VAL " "HG11" 1 0 2 1 3545 21.02 + 3545 41 -15.148000 13.566000 23.922000 18 " " V B 2 "VAL " "HG12" 1 0 2 1 3546 21.02 + 3546 41 -14.353000 12.025000 23.619000 18 " " V B 2 "VAL " "HG13" 1 0 2 1 3547 21.02 + 3547 41 -13.802000 12.206000 20.669000 18 " " V B 2 "VAL " "HG21" 1 0 2 1 3548 21.02 + 3548 41 -14.668000 10.828000 21.315000 18 " " V B 2 "VAL " "HG22" 1 0 2 1 3549 21.02 + 3549 41 -15.348000 11.750000 19.978000 18 " " V B 2 "VAL " "HG23" 1 0 2 1 3550 21.02 + 3550 25 -17.191000 9.930000 22.085000 19 " " K B 2 "LYS " " N " 7 0 2 1 3551 4.45 + 3551 3 -17.268000 8.549000 22.537000 19 " " K B 2 "LYS " " CA " 6 0 2 1 3552 4.45 + 3552 2 -16.135000 7.756000 21.878000 19 " " K B 2 "LYS " " C " 6 0 2 1 3553 4.45 + 3553 15 -16.289000 7.279000 20.753000 19 " " K B 2 "LYS " " O " 8 0 2 1 3554 25.44 + 3554 3 -18.675000 8.013000 22.205000 19 " " K B 2 "LYS " " CB " 6 0 2 1 3555 25.44 + 3555 3 -18.994000 6.643000 22.825000 19 " " K B 2 "LYS " " CG " 6 0 2 1 3556 25.44 + 3556 3 -20.462000 6.252000 22.597000 19 " " K B 2 "LYS " " CD " 6 0 2 1 3557 25.44 + 3557 3 -20.899000 5.041000 23.430000 19 " " K B 2 "LYS " " CE " 6 0 2 1 3558 25.44 + 3558 32 -22.322000 4.731000 23.216000 19 " " K B 2 "LYS " " NZ " 7 1 2 1 3559 25.44 + 3559 43 -17.314000 10.073000 21.093000 19 " " K B 2 "LYS " " H " 1 0 2 1 3560 4.45 + 3560 41 -17.136000 8.482000 23.616000 19 " " K B 2 "LYS " " HA " 1 0 2 1 3561 4.45 + 3561 41 -18.834000 7.983000 21.126000 19 " " K B 2 "LYS " " HB3" 1 0 2 1 3562 25.44 + 3562 41 -19.404000 8.727000 22.592000 19 " " K B 2 "LYS " " HB2" 1 0 2 1 3563 25.44 + 3563 41 -18.785000 6.675000 23.895000 19 " " K B 2 "LYS " " HG3" 1 0 2 1 3564 25.44 + 3564 41 -18.339000 5.878000 22.407000 19 " " K B 2 "LYS " " HG2" 1 0 2 1 3565 25.44 + 3565 41 -20.611000 6.036000 21.538000 19 " " K B 2 "LYS " " HD3" 1 0 2 1 3566 25.44 + 3566 41 -21.107000 7.100000 22.830000 19 " " K B 2 "LYS " " HD2" 1 0 2 1 3567 25.44 + 3567 41 -20.739000 5.231000 24.493000 19 " " K B 2 "LYS " " HE3" 1 0 2 1 3568 25.44 + 3568 41 -20.312000 4.164000 23.165000 19 " " K B 2 "LYS " " HE2" 1 0 2 1 3569 25.44 + 3569 44 -22.580000 3.937000 23.784000 19 " " K B 2 "LYS " " HZ1" 1 0 2 1 3570 25.44 + 3570 44 -22.886000 5.528000 23.477000 19 " " K B 2 "LYS " " HZ2" 1 0 2 1 3571 25.44 + 3571 44 -22.477000 4.512000 22.242000 19 " " K B 2 "LYS " " HZ3" 1 0 2 1 3572 25.44 + 3572 25 -15.017000 7.627000 22.611000 20 " " L B 2 "LEU " " N " 7 0 2 1 3573 2.48 + 3573 3 -13.905000 6.737000 22.273000 20 " " L B 2 "LEU " " CA " 6 0 2 1 3574 2.48 + 3574 2 -14.355000 5.273000 22.406000 20 " " L B 2 "LEU " " C " 6 0 2 1 3575 2.48 + 3575 15 -15.188000 4.975000 23.263000 20 " " L B 2 "LEU " " O " 8 0 2 1 3576 2.48 + 3576 3 -12.704000 7.014000 23.211000 20 " " L B 2 "LEU " " CB " 6 0 2 1 3577 2.48 + 3577 3 -12.221000 8.483000 23.268000 20 " " L B 2 "LEU " " CG " 6 0 2 1 3578 2.48 + 3578 3 -11.050000 8.639000 24.260000 20 " " L B 2 "LEU " " CD1" 6 0 2 1 3579 2.48 + 3579 3 -11.887000 9.072000 21.882000 20 " " L B 2 "LEU " " CD2" 6 0 2 1 3580 2.48 + 3580 43 -14.979000 8.044000 23.532000 20 " " L B 2 "LEU " " H " 1 0 2 1 3581 2.48 + 3581 41 -13.618000 6.921000 21.236000 20 " " L B 2 "LEU " " HA " 1 0 2 1 3582 2.48 + 3582 41 -11.868000 6.380000 22.909000 20 " " L B 2 "LEU " " HB3" 1 0 2 1 3583 2.48 + 3583 41 -12.965000 6.698000 24.223000 20 " " L B 2 "LEU " " HB2" 1 0 2 1 3584 2.48 + 3584 41 -13.039000 9.078000 23.677000 20 " " L B 2 "LEU " " HG " 1 0 2 1 3585 2.48 + 3585 41 -11.252000 9.435000 24.977000 20 " " L B 2 "LEU " "HD11" 1 0 2 1 3586 2.48 + 3586 41 -10.877000 7.728000 24.834000 20 " " L B 2 "LEU " "HD12" 1 0 2 1 3587 2.48 + 3587 41 -10.110000 8.882000 23.764000 20 " " L B 2 "LEU " "HD13" 1 0 2 1 3588 2.48 + 3588 41 -10.951000 9.630000 21.873000 20 " " L B 2 "LEU " "HD21" 1 0 2 1 3589 2.48 + 3589 41 -11.816000 8.304000 21.113000 20 " " L B 2 "LEU " "HD22" 1 0 2 1 3590 2.48 + 3590 41 -12.663000 9.767000 21.568000 20 " " L B 2 "LEU " "HD23" 1 0 2 1 3591 2.48 + 3591 25 -13.793000 4.395000 21.563000 21 " " S B 2 "SER " " N " 7 0 2 1 3592 23.35 + 3592 3 -14.107000 2.968000 21.546000 21 " " S B 2 "SER " " CA " 6 0 2 1 3593 23.35 + 3593 2 -12.832000 2.127000 21.688000 21 " " S B 2 "SER " " C " 6 0 2 1 3594 23.35 + 3594 15 -11.723000 2.609000 21.457000 21 " " S B 2 "SER " " O " 8 0 2 1 3595 30.04 + 3595 3 -14.924000 2.636000 20.278000 21 " " S B 2 "SER " " CB " 6 0 2 1 3596 30.04 + 3596 16 -14.143000 2.643000 19.099000 21 " " S B 2 "SER " " OG " 8 0 2 1 3597 30.04 + 3597 43 -13.112000 4.704000 20.884000 21 " " S B 2 "SER " " H " 1 0 2 1 3598 23.35 + 3598 41 -14.735000 2.721000 22.403000 21 " " S B 2 "SER " " HA " 1 0 2 1 3599 23.35 + 3599 41 -15.754000 3.334000 20.162000 21 " " S B 2 "SER " " HB3" 1 0 2 1 3600 30.04 + 3600 41 -15.369000 1.645000 20.377000 21 " " S B 2 "SER " " HB2" 1 0 2 1 3601 30.04 + 3601 42 -13.540000 1.897000 19.120000 21 " " S B 2 "SER " " HG " 1 0 2 1 3602 30.04 + 3602 25 -13.053000 0.871000 22.087000 22 " " C B 2 "CYS " " N " 7 0 2 1 3603 2.48 + 3603 3 -12.036000 -0.111000 22.418000 22 " " C B 2 "CYS " " CA " 6 0 2 1 3604 2.48 + 3604 2 -12.625000 -1.490000 22.116000 22 " " C B 2 "CYS " " C " 6 0 2 1 3605 2.48 + 3605 15 -13.253000 -2.081000 22.995000 22 " " C B 2 "CYS " " O " 8 0 2 1 3606 2.48 + 3606 3 -11.646000 0.068000 23.896000 22 " " C B 2 "CYS " " CB " 6 0 2 1 3607 2.48 + 3607 49 -10.627000 -1.241000 24.616000 22 " " C B 2 "CYS " " SG " 16 0 2 1 3608 2.48 + 3608 43 -14.002000 0.577000 22.275000 22 " " C B 2 "CYS " " H " 1 0 2 1 3609 2.48 + 3609 41 -11.148000 0.039000 21.806000 22 " " C B 2 "CYS " " HA " 1 0 2 1 3610 2.48 + 3610 41 -12.541000 0.130000 24.514000 22 " " C B 2 "CYS " " HB3" 1 0 2 1 3611 2.48 + 3611 41 -11.128000 1.019000 24.022000 22 " " C B 2 "CYS " " HB2" 1 0 2 1 3612 2.48 + 3612 25 -12.456000 -1.960000 20.870000 23 " " K B 2 "LYS " " N " 7 0 2 1 3613 8.22 + 3613 3 -12.942000 -3.272000 20.451000 23 " " K B 2 "LYS " " CA " 6 0 2 1 3614 8.22 + 3614 2 -11.957000 -4.369000 20.874000 23 " " K B 2 "LYS " " C " 6 0 2 1 3615 8.22 + 3615 15 -10.813000 -4.375000 20.421000 23 " " K B 2 "LYS " " O " 8 0 2 1 3616 42.1 + 3616 3 -13.243000 -3.281000 18.939000 23 " " K B 2 "LYS " " CB " 6 0 2 1 3617 42.1 + 3617 3 -13.740000 -4.649000 18.432000 23 " " K B 2 "LYS " " CG " 6 0 2 1 3618 42.1 + 3618 3 -14.141000 -4.640000 16.951000 23 " " K B 2 "LYS " " CD " 6 0 2 1 3619 42.1 + 3619 3 -14.739000 -5.978000 16.487000 23 " " K B 2 "LYS " " CE " 6 0 2 1 3620 42.1 + 3620 32 -13.775000 -7.088000 16.604000 23 " " K B 2 "LYS " " NZ " 7 1 2 1 3621 42.1 + 3621 43 -11.928000 -1.426000 20.192000 23 " " K B 2 "LYS " " H " 1 0 2 1 3622 8.22 + 3622 41 -13.897000 -3.459000 20.945000 23 " " K B 2 "LYS " " HA " 1 0 2 1 3623 8.22 + 3623 41 -12.364000 -2.979000 18.371000 23 " " K B 2 "LYS " " HB3" 1 0 2 1 3624 42.1 + 3624 41 -14.006000 -2.529000 18.733000 23 " " K B 2 "LYS " " HB2" 1 0 2 1 3625 42.1 + 3625 41 -14.593000 -4.964000 19.035000 23 " " K B 2 "LYS " " HG3" 1 0 2 1 3626 42.1 + 3626 41 -12.966000 -5.402000 18.579000 23 " " K B 2 "LYS " " HG2" 1 0 2 1 3627 42.1 + 3627 41 -13.273000 -4.391000 16.338000 23 " " K B 2 "LYS " " HD3" 1 0 2 1 3628 42.1 + 3628 41 -14.869000 -3.847000 16.779000 23 " " K B 2 "LYS " " HD2" 1 0 2 1 3629 42.1 + 3629 41 -15.054000 -5.901000 15.446000 23 " " K B 2 "LYS " " HE3" 1 0 2 1 3630 42.1 + 3630 41 -15.628000 -6.218000 17.072000 23 " " K B 2 "LYS " " HE2" 1 0 2 1 3631 42.1 + 3631 44 -13.504000 -7.198000 17.571000 23 " " K B 2 "LYS " " HZ1" 1 0 2 1 3632 42.1 + 3632 44 -14.203000 -7.944000 16.280000 23 " " K B 2 "LYS " " HZ2" 1 0 2 1 3633 42.1 + 3633 44 -12.957000 -6.891000 16.046000 23 " " K B 2 "LYS " " HZ3" 1 0 2 1 3634 42.1 + 3634 25 -12.450000 -5.297000 21.703000 24 " " A B 2 "ALA " " N " 7 0 2 1 3635 2.48 + 3635 3 -11.733000 -6.488000 22.131000 24 " " A B 2 "ALA " " CA " 6 0 2 1 3636 2.48 + 3636 2 -11.861000 -7.616000 21.098000 24 " " A B 2 "ALA " " C " 6 0 2 1 3637 2.48 + 3637 15 -12.908000 -7.772000 20.467000 24 " " A B 2 "ALA " " O " 8 0 2 1 3638 39.92 + 3638 3 -12.305000 -6.935000 23.475000 24 " " A B 2 "ALA " " CB " 6 0 2 1 3639 39.92 + 3639 43 -13.414000 -5.234000 22.006000 24 " " A B 2 "ALA " " H " 1 0 2 1 3640 2.48 + 3640 41 -10.678000 -6.246000 22.274000 24 " " A B 2 "ALA " " HA " 1 0 2 1 3641 2.48 + 3641 41 -11.928000 -7.913000 23.769000 24 " " A B 2 "ALA " " HB1" 1 0 2 1 3642 39.92 + 3642 41 -12.061000 -6.222000 24.263000 24 " " A B 2 "ALA " " HB2" 1 0 2 1 3643 39.92 + 3643 41 -13.386000 -7.018000 23.425000 24 " " A B 2 "ALA " " HB3" 1 0 2 1 3644 39.92 + 3644 25 -10.781000 -8.394000 20.979000 25 " " S B 2 "SER " " N " 7 0 2 1 3645 2.48 + 3645 3 -10.654000 -9.556000 20.105000 25 " " S B 2 "SER " " CA " 6 0 2 1 3646 2.48 + 3646 2 -9.835000 -10.614000 20.853000 25 " " S B 2 "SER " " C " 6 0 2 1 3647 2.48 + 3647 15 -8.931000 -10.239000 21.596000 25 " " S B 2 "SER " " O " 8 0 2 1 3648 46.41 + 3648 3 -9.932000 -9.131000 18.811000 25 " " S B 2 "SER " " CB " 6 0 2 1 3649 46.41 + 3649 16 -10.753000 -8.284000 18.031000 25 " " S B 2 "SER " " OG " 8 0 2 1 3650 46.41 + 3650 43 -9.959000 -8.184000 21.531000 25 " " S B 2 "SER " " H " 1 0 2 1 3651 2.48 + 3651 41 -11.635000 -9.975000 19.872000 25 " " S B 2 "SER " " HA " 1 0 2 1 3652 2.48 + 3652 41 -9.681000 -10.004000 18.207000 25 " " S B 2 "SER " " HB3" 1 0 2 1 3653 46.41 + 3653 41 -8.998000 -8.622000 19.038000 25 " " S B 2 "SER " " HB2" 1 0 2 1 3654 46.41 + 3654 42 -10.928000 -7.491000 18.543000 25 " " S B 2 "SER " " HG " 1 0 2 1 3655 46.41 + 3655 25 -10.152000 -11.903000 20.639000 26 " " G B 2 "GLY " " N " 7 0 0 1 3656 2.48 + 3656 3 -9.432000 -13.045000 21.221000 26 " " G B 2 "GLY " " CA " 6 0 0 1 3657 2.48 + 3657 2 -9.793000 -13.335000 22.689000 26 " " G B 2 "GLY " " C " 6 0 0 1 3658 2.48 + 3658 15 -9.184000 -14.212000 23.296000 26 " " G B 2 "GLY " " O " 8 0 0 1 3659 48.18 + 3659 43 -10.914000 -12.125000 20.015000 26 " " G B 2 "GLY " " H " 1 0 0 1 3660 2.48 + 3660 41 -8.357000 -12.896000 21.151000 26 " " G B 2 "GLY " " HA3" 1 0 0 1 3661 2.48 + 3661 41 -9.657000 -13.933000 20.630000 26 " " G B 2 "GLY " " HA2" 1 0 0 1 3662 2.48 + 3662 25 -10.773000 -12.623000 23.262000 27 " " F B 2 "PHE " " N " 7 0 0 1 3663 12.32 + 3663 3 -11.310000 -12.837000 24.606000 27 " " F B 2 "PHE " " CA " 6 0 0 1 3664 12.32 + 3664 2 -12.690000 -12.175000 24.666000 27 " " F B 2 "PHE " " C " 6 0 0 1 3665 12.32 + 3665 15 -12.972000 -11.284000 23.866000 27 " " F B 2 "PHE " " O " 8 0 0 1 3666 14.7 + 3666 3 -10.350000 -12.268000 25.681000 27 " " F B 2 "PHE " " CB " 6 0 0 1 3667 14.7 + 3667 2 -10.308000 -10.754000 25.832000 27 " " F B 2 "PHE " " CG " 6 0 0 1 3668 14.7 + 3668 2 -11.107000 -10.105000 26.796000 27 " " F B 2 "PHE " " CD1" 6 0 0 1 3669 14.7 + 3669 2 -9.585000 -9.971000 24.913000 27 " " F B 2 "PHE " " CD2" 6 0 0 1 3670 14.7 + 3670 2 -11.099000 -8.721000 26.891000 27 " " F B 2 "PHE " " CE1" 6 0 0 1 3671 14.7 + 3671 2 -9.595000 -8.588000 25.016000 27 " " F B 2 "PHE " " CE2" 6 0 0 1 3672 14.7 + 3672 2 -10.331000 -7.965000 26.015000 27 " " F B 2 "PHE " " CZ " 6 0 0 1 3673 14.7 + 3673 43 -11.238000 -11.903000 22.727000 27 " " F B 2 "PHE " " H " 1 0 0 1 3674 12.32 + 3674 41 -11.434000 -13.911000 24.761000 27 " " F B 2 "PHE " " HA " 1 0 0 1 3675 12.32 + 3675 41 -9.339000 -12.627000 25.500000 27 " " F B 2 "PHE " " HB3" 1 0 0 1 3676 14.7 + 3676 41 -10.623000 -12.690000 26.649000 27 " " F B 2 "PHE " " HB2" 1 0 0 1 3677 14.7 + 3677 41 -11.713000 -10.685000 27.471000 27 " " F B 2 "PHE " " HD1" 1 0 0 1 3678 14.7 + 3678 41 -9.028000 -10.451000 24.125000 27 " " F B 2 "PHE " " HD2" 1 0 0 1 3679 14.7 + 3679 41 -11.685000 -8.233000 27.656000 27 " " F B 2 "PHE " " HE1" 1 0 0 1 3680 14.7 + 3680 41 -9.046000 -8.000000 24.298000 27 " " F B 2 "PHE " " HE2" 1 0 0 1 3681 14.7 + 3681 41 -10.329000 -6.888000 26.093000 27 " " F B 2 "PHE " " HZ " 1 0 0 1 3682 14.7 + 3682 25 -13.504000 -12.595000 25.642000 28 " " N B 2 "ASN " " N " 7 0 0 1 3683 31.35 + 3683 3 -14.817000 -12.018000 25.910000 28 " " N B 2 "ASN " " CA " 6 0 0 1 3684 31.35 + 3684 2 -14.684000 -10.998000 27.052000 28 " " N B 2 "ASN " " C " 6 0 0 1 3685 31.35 + 3685 15 -14.166000 -11.356000 28.111000 28 " " N B 2 "ASN " " O " 8 0 0 1 3686 59.16 + 3686 3 -15.777000 -13.166000 26.292000 28 " " N B 2 "ASN " " CB " 6 0 0 1 3687 59.16 + 3687 2 -17.266000 -12.837000 26.171000 28 " " N B 2 "ASN " " CG " 6 0 0 1 3688 59.16 + 3688 15 -17.658000 -11.723000 25.830000 28 " " N B 2 "ASN " " OD1" 8 0 0 1 3689 59.16 + 3689 25 -18.111000 -13.825000 26.470000 28 " " N B 2 "ASN " " ND2" 7 0 0 1 3690 59.16 + 3690 43 -13.202000 -13.319000 26.279000 28 " " N B 2 "ASN " " H " 1 0 0 1 3691 31.35 + 3691 41 -15.213000 -11.486000 25.043000 28 " " N B 2 "ASN " " HA " 1 0 0 1 3692 31.35 + 3692 41 -15.563000 -13.539000 27.292000 28 " " N B 2 "ASN " " HB3" 1 0 0 1 3693 59.16 + 3693 41 -15.608000 -14.003000 25.613000 28 " " N B 2 "ASN " " HB2" 1 0 0 1 3694 59.16 + 3694 43 -19.107000 -13.675000 26.411000 28 " " N B 2 "ASN " "HD22" 1 0 0 1 3695 59.16 + 3695 43 -17.759000 -14.722000 26.773000 28 " " N B 2 "ASN " "HD21" 1 0 0 1 3696 59.16 + 3696 25 -15.153000 -9.756000 26.832000 29 " " I B 2 "ILE " " N " 7 0 0 1 3697 8.19 + 3697 3 -15.034000 -8.670000 27.812000 29 " " I B 2 "ILE " " CA " 6 0 0 1 3698 8.19 + 3698 2 -15.885000 -8.861000 29.082000 29 " " I B 2 "ILE " " C " 6 0 0 1 3699 8.19 + 3699 15 -15.525000 -8.276000 30.099000 29 " " I B 2 "ILE " " O " 8 0 0 1 3700 2.87 + 3700 3 -15.317000 -7.257000 27.222000 29 " " I B 2 "ILE " " CB " 6 0 0 1 3701 2.87 + 3701 3 -16.776000 -6.999000 26.770000 29 " " I B 2 "ILE " " CG1" 6 0 0 1 3702 2.87 + 3702 3 -14.316000 -6.928000 26.107000 29 " " I B 2 "ILE " " CG2" 6 0 0 1 3703 2.87 + 3703 3 -17.068000 -5.528000 26.434000 29 " " I B 2 "ILE " " CD1" 6 0 0 1 3704 2.87 + 3704 43 -15.589000 -9.527000 25.947000 29 " " I B 2 "ILE " " H " 1 0 0 1 3705 8.19 + 3705 41 -13.996000 -8.670000 28.151000 29 " " I B 2 "ILE " " HA " 1 0 0 1 3706 8.19 + 3706 41 -15.106000 -6.542000 28.016000 29 " " I B 2 "ILE " " HB " 1 0 0 1 3707 2.87 + 3707 41 -17.485000 -7.308000 27.537000 29 " " I B 2 "ILE " "HG13" 1 0 0 1 3708 2.87 + 3708 41 -17.009000 -7.610000 25.901000 29 " " I B 2 "ILE " "HG12" 1 0 0 1 3709 2.87 + 3709 41 -14.404000 -5.898000 25.764000 29 " " I B 2 "ILE " "HG21" 1 0 0 1 3710 2.87 + 3710 41 -13.290000 -7.062000 26.442000 29 " " I B 2 "ILE " "HG22" 1 0 0 1 3711 2.87 + 3711 41 -14.474000 -7.582000 25.253000 29 " " I B 2 "ILE " "HG23" 1 0 0 1 3712 2.87 + 3712 41 -18.139000 -5.374000 26.296000 29 " " I B 2 "ILE " "HD11" 1 0 0 1 3713 2.87 + 3713 41 -16.735000 -4.861000 27.229000 29 " " I B 2 "ILE " "HD12" 1 0 0 1 3714 2.87 + 3714 41 -16.578000 -5.223000 25.512000 29 " " I B 2 "ILE " "HD13" 1 0 0 1 3715 2.87 + 3715 25 -16.937000 -9.703000 29.041000 30 " " K B 2 "LYS " " N " 7 0 0 1 3716 24.12 + 3716 3 -17.726000 -10.059000 30.228000 30 " " K B 2 "LYS " " CA " 6 0 0 1 3717 24.12 + 3717 2 -17.043000 -11.084000 31.165000 30 " " K B 2 "LYS " " C " 6 0 0 1 3718 24.12 + 3718 15 -17.634000 -11.417000 32.188000 30 " " K B 2 "LYS " " O " 8 0 0 1 3719 62.4 + 3719 3 -19.164000 -10.461000 29.833000 30 " " K B 2 "LYS " " CB " 6 0 0 1 3720 62.4 + 3720 3 -19.329000 -11.834000 29.156000 30 " " K B 2 "LYS " " CG " 6 0 0 1 3721 62.4 + 3721 3 -20.786000 -12.312000 29.002000 30 " " K B 2 "LYS " " CD " 6 0 0 1 3722 62.4 + 3722 3 -21.539000 -12.504000 30.333000 30 " " K B 2 "LYS " " CE " 6 0 0 1 3723 62.4 + 3723 32 -22.226000 -11.275000 30.767000 30 " " K B 2 "LYS " " NZ " 7 1 0 1 3724 62.4 + 3724 43 -17.179000 -10.167000 28.177000 30 " " K B 2 "LYS " " H " 1 0 0 1 3725 24.12 + 3725 41 -17.827000 -9.159000 30.836000 30 " " K B 2 "LYS " " HA " 1 0 0 1 3726 24.12 + 3726 41 -19.618000 -9.680000 29.222000 30 " " K B 2 "LYS " " HB3" 1 0 0 1 3727 62.4 + 3727 41 -19.732000 -10.474000 30.759000 30 " " K B 2 "LYS " " HB2" 1 0 0 1 3728 62.4 + 3728 41 -18.766000 -12.602000 29.686000 30 " " K B 2 "LYS " " HG3" 1 0 0 1 3729 62.4 + 3729 41 -18.884000 -11.765000 28.168000 30 " " K B 2 "LYS " " HG2" 1 0 0 1 3730 62.4 + 3730 41 -20.775000 -13.263000 28.468000 30 " " K B 2 "LYS " " HD3" 1 0 0 1 3731 62.4 + 3731 41 -21.329000 -11.622000 28.354000 30 " " K B 2 "LYS " " HD2" 1 0 0 1 3732 62.4 + 3732 41 -20.858000 -12.843000 31.115000 30 " " K B 2 "LYS " " HE3" 1 0 0 1 3733 62.4 + 3733 41 -22.300000 -13.277000 30.222000 30 " " K B 2 "LYS " " HE2" 1 0 0 1 3734 62.4 + 3734 44 -22.598000 -11.422000 31.701000 30 " " K B 2 "LYS " " HZ1" 1 0 0 1 3735 62.4 + 3735 44 -21.564000 -10.514000 30.805000 30 " " K B 2 "LYS " " HZ2" 1 0 0 1 3736 62.4 + 3736 44 -22.972000 -11.042000 30.129000 30 " " K B 2 "LYS " " HZ3" 1 0 0 1 3737 62.4 + 3737 25 -15.826000 -11.547000 30.831000 31 " " D B 2 "ASP " " N " 7 0 0 1 3738 2.48 + 3738 3 -14.964000 -12.362000 31.700000 31 " " D B 2 "ASP " " CA " 6 0 0 1 3739 2.48 + 3739 2 -13.862000 -11.536000 32.397000 31 " " D B 2 "ASP " " C " 6 0 0 1 3740 2.48 + 3740 15 -13.127000 -12.106000 33.203000 31 " " D B 2 "ASP " " O " 8 0 0 1 3741 34.27 + 3741 3 -14.335000 -13.563000 30.950000 31 " " D B 2 "ASP " " CB " 6 0 0 1 3742 34.27 + 3742 2 -15.354000 -14.529000 30.338000 31 " " D B 2 "ASP " " CG " 6 0 0 1 3743 34.27 + 3743 15 -16.376000 -14.794000 31.008000 31 " " D B 2 "ASP " " OD1" 8 0 0 1 3744 34.27 + 3744 18 -15.045000 -15.069000 29.254000 31 " " D B 2 "ASP " " OD2" 8 -1 0 1 3745 34.27 + 3745 43 -15.414000 -11.261000 29.953000 31 " " D B 2 "ASP " " H " 1 0 0 1 3746 2.48 + 3746 41 -15.563000 -12.773000 32.514000 31 " " D B 2 "ASP " " HA " 1 0 0 1 3747 2.48 + 3747 41 -13.681000 -14.140000 31.605000 31 " " D B 2 "ASP " " HB3" 1 0 0 1 3748 34.27 + 3748 41 -13.710000 -13.175000 30.144000 31 " " D B 2 "ASP " " HB2" 1 0 0 1 3749 34.27 + 3749 25 -13.749000 -10.234000 32.084000 32 " " Y B 2 "TYR " " N " 7 0 0 1 3750 2.48 + 3750 3 -12.709000 -9.338000 32.598000 32 " " Y B 2 "TYR " " CA " 6 0 0 1 3751 2.48 + 3751 2 -13.313000 -7.999000 33.031000 32 " " Y B 2 "TYR " " C " 6 0 0 1 3752 2.48 + 3752 15 -14.468000 -7.711000 32.726000 32 " " Y B 2 "TYR " " O " 8 0 0 1 3753 2.48 + 3753 3 -11.643000 -9.116000 31.503000 32 " " Y B 2 "TYR " " CB " 6 0 0 1 3754 2.48 + 3754 2 -10.809000 -10.342000 31.188000 32 " " Y B 2 "TYR " " CG " 6 0 0 1 3755 2.48 + 3755 2 -11.223000 -11.244000 30.189000 32 " " Y B 2 "TYR " " CD1" 6 0 0 1 3756 2.48 + 3756 2 -9.623000 -10.594000 31.905000 32 " " Y B 2 "TYR " " CD2" 6 0 0 1 3757 2.48 + 3757 2 -10.458000 -12.391000 29.907000 32 " " Y B 2 "TYR " " CE1" 6 0 0 1 3758 2.48 + 3758 2 -8.856000 -11.741000 31.629000 32 " " Y B 2 "TYR " " CE2" 6 0 0 1 3759 2.48 + 3759 2 -9.274000 -12.640000 30.629000 32 " " Y B 2 "TYR " " CZ " 6 0 0 1 3760 2.48 + 3760 16 -8.530000 -13.750000 30.355000 32 " " Y B 2 "TYR " " OH " 8 0 0 1 3761 2.48 + 3761 43 -14.416000 -9.813000 31.452000 32 " " Y B 2 "TYR " " H " 1 0 0 1 3762 2.48 + 3762 41 -12.232000 -9.771000 33.480000 32 " " Y B 2 "TYR " " HA " 1 0 0 1 3763 2.48 + 3763 41 -10.947000 -8.332000 31.808000 32 " " Y B 2 "TYR " " HB3" 1 0 0 1 3764 2.48 + 3764 41 -12.111000 -8.752000 30.586000 32 " " Y B 2 "TYR " " HB2" 1 0 0 1 3765 2.48 + 3765 41 -12.140000 -11.064000 29.650000 32 " " Y B 2 "TYR " " HD1" 1 0 0 1 3766 2.48 + 3766 41 -9.297000 -9.906000 32.667000 32 " " Y B 2 "TYR " " HD2" 1 0 0 1 3767 2.48 + 3767 41 -10.786000 -13.081000 29.145000 32 " " Y B 2 "TYR " " HE1" 1 0 0 1 3768 2.48 + 3768 41 -7.946000 -11.923000 32.181000 32 " " Y B 2 "TYR " " HE2" 1 0 0 1 3769 2.48 + 3769 42 -7.777000 -13.849000 30.942000 32 " " Y B 2 "TYR " " HH " 1 0 0 1 3770 2.48 + 3770 25 -12.490000 -7.186000 33.708000 33 " " Y B 2 "TYR " " N " 7 0 2 1 3771 2.48 + 3771 3 -12.795000 -5.784000 33.974000 33 " " Y B 2 "TYR " " CA " 6 0 2 1 3772 2.48 + 3772 2 -12.023000 -4.954000 32.945000 33 " " Y B 2 "TYR " " C " 6 0 2 1 3773 2.48 + 3773 15 -10.797000 -5.050000 32.895000 33 " " Y B 2 "TYR " " O " 8 0 2 1 3774 13.67 + 3774 3 -12.393000 -5.404000 35.412000 33 " " Y B 2 "TYR " " CB " 6 0 2 1 3775 13.67 + 3775 2 -12.898000 -6.357000 36.478000 33 " " Y B 2 "TYR " " CG " 6 0 2 1 3776 13.67 + 3776 2 -14.260000 -6.359000 36.836000 33 " " Y B 2 "TYR " " CD1" 6 0 2 1 3777 13.67 + 3777 2 -12.008000 -7.259000 37.098000 33 " " Y B 2 "TYR " " CD2" 6 0 2 1 3778 13.67 + 3778 2 -14.732000 -7.260000 37.810000 33 " " Y B 2 "TYR " " CE1" 6 0 2 1 3779 13.67 + 3779 2 -12.483000 -8.161000 38.069000 33 " " Y B 2 "TYR " " CE2" 6 0 2 1 3780 13.67 + 3780 2 -13.846000 -8.165000 38.423000 33 " " Y B 2 "TYR " " CZ " 6 0 2 1 3781 13.67 + 3781 16 -14.305000 -9.044000 39.360000 33 " " Y B 2 "TYR " " OH " 8 0 2 1 3782 13.67 + 3782 43 -11.556000 -7.491000 33.945000 33 " " Y B 2 "TYR " " H " 1 0 2 1 3783 2.48 + 3783 41 -13.864000 -5.599000 33.867000 33 " " Y B 2 "TYR " " HA " 1 0 2 1 3784 2.48 + 3784 41 -12.748000 -4.398000 35.640000 33 " " Y B 2 "TYR " " HB3" 1 0 2 1 3785 13.67 + 3785 41 -11.311000 -5.357000 35.505000 33 " " Y B 2 "TYR " " HB2" 1 0 2 1 3786 13.67 + 3786 41 -14.939000 -5.671000 36.357000 33 " " Y B 2 "TYR " " HD1" 1 0 2 1 3787 13.67 + 3787 41 -10.962000 -7.269000 36.829000 33 " " Y B 2 "TYR " " HD2" 1 0 2 1 3788 13.67 + 3788 41 -15.775000 -7.256000 38.087000 33 " " Y B 2 "TYR " " HE1" 1 0 2 1 3789 13.67 + 3789 41 -11.801000 -8.851000 38.541000 33 " " Y B 2 "TYR " " HE2" 1 0 2 1 3790 13.67 + 3790 42 -15.253000 -8.981000 39.496000 33 " " Y B 2 "TYR " " HH " 1 0 2 1 3791 13.67 + 3791 25 -12.748000 -4.168000 32.138000 34 " " M B 2 "MET " " N " 7 0 2 1 3792 2.48 + 3792 3 -12.157000 -3.240000 31.177000 34 " " M B 2 "MET " " CA " 6 0 2 1 3793 2.48 + 3793 2 -11.926000 -1.898000 31.878000 34 " " M B 2 "MET " " C " 6 0 2 1 3794 2.48 + 3794 15 -12.824000 -1.415000 32.564000 34 " " M B 2 "MET " " O " 8 0 2 1 3795 13.87 + 3795 3 -13.069000 -3.088000 29.944000 34 " " M B 2 "MET " " CB " 6 0 2 1 3796 13.87 + 3796 3 -13.379000 -4.414000 29.228000 34 " " M B 2 "MET " " CG " 6 0 2 1 3797 13.87 + 3797 49 -11.954000 -5.228000 28.455000 34 " " M B 2 "MET " " SD " 16 0 2 1 3798 13.87 + 3798 3 -11.784000 -4.194000 26.976000 34 " " M B 2 "MET " " CE " 6 0 2 1 3799 13.87 + 3799 43 -13.750000 -4.117000 32.257000 34 " " M B 2 "MET " " H " 1 0 2 1 3800 2.48 + 3800 41 -11.201000 -3.636000 30.839000 34 " " M B 2 "MET " " HA " 1 0 2 1 3801 2.48 + 3801 41 -12.606000 -2.399000 29.236000 34 " " M B 2 "MET " " HB3" 1 0 2 1 3802 13.87 + 3802 41 -14.009000 -2.622000 30.228000 34 " " M B 2 "MET " " HB2" 1 0 2 1 3803 13.87 + 3803 41 -14.133000 -4.247000 28.459000 34 " " M B 2 "MET " " HG3" 1 0 2 1 3804 13.87 + 3804 41 -13.830000 -5.122000 29.923000 34 " " M B 2 "MET " " HG2" 1 0 2 1 3805 13.87 + 3805 41 -11.061000 -4.639000 26.294000 34 " " M B 2 "MET " " HE1" 1 0 2 1 3806 13.87 + 3806 41 -12.735000 -4.114000 26.450000 34 " " M B 2 "MET " " HE2" 1 0 2 1 3807 13.87 + 3807 41 -11.446000 -3.193000 27.241000 34 " " M B 2 "MET " " HE3" 1 0 2 1 3808 13.87 + 3808 25 -10.726000 -1.335000 31.704000 35 " " H B 2 "HIS " " N " 7 0 2 1 3809 2.48 + 3809 3 -10.308000 -0.075000 32.317000 35 " " H B 2 "HIS " " CA " 6 0 2 1 3810 2.48 + 3810 2 -10.106000 1.000000 31.255000 35 " " H B 2 "HIS " " C " 6 0 2 1 3811 2.48 + 3811 15 -10.017000 0.690000 30.068000 35 " " H B 2 "HIS " " O " 8 0 2 1 3812 9.62 + 3812 3 -9.012000 -0.306000 33.112000 35 " " H B 2 "HIS " " CB " 6 0 2 1 3813 9.62 + 3813 2 -9.238000 -1.084000 34.375000 35 " " H B 2 "HIS " " CG " 6 0 2 1 3814 9.62 + 3814 25 -9.343000 -0.471000 35.623000 35 " " H B 2 "HIS " " ND1" 7 0 2 1 3815 9.62 + 3815 2 -9.391000 -2.442000 34.531000 35 " " H B 2 "HIS " " CD2" 6 0 2 1 3816 9.62 + 3816 2 -9.537000 -1.468000 36.472000 35 " " H B 2 "HIS " " CE1" 6 0 2 1 3817 9.62 + 3817 25 -9.587000 -2.658000 35.883000 35 " " H B 2 "HIS " " NE2" 7 0 2 1 3818 9.62 + 3818 43 -10.046000 -1.788000 31.106000 35 " " H B 2 "HIS " " H " 1 0 2 1 3819 2.48 + 3819 41 -11.065000 0.300000 33.005000 35 " " H B 2 "HIS " " HA " 1 0 2 1 3820 2.48 + 3820 41 -8.543000 0.641000 33.387000 35 " " H B 2 "HIS " " HB3" 1 0 2 1 3821 9.62 + 3821 41 -8.285000 -0.842000 32.505000 35 " " H B 2 "HIS " " HB2" 1 0 2 1 3822 9.62 + 3822 41 -9.364000 -3.241000 33.808000 35 " " H B 2 "HIS " " HD2" 1 0 2 1 3823 9.62 + 3823 41 -9.641000 -1.324000 37.533000 35 " " H B 2 "HIS " " HE1" 1 0 2 1 3824 9.62 + 3824 43 -9.684000 -3.552000 36.349000 35 " " H B 2 "HIS " " HE2" 1 0 2 1 3825 9.62 + 3825 25 -10.021000 2.247000 31.734000 36 " " W B 2 "TRP " " N " 7 0 2 1 3826 2.48 + 3826 3 -9.656000 3.419000 30.957000 36 " " W B 2 "TRP " " CA " 6 0 2 1 3827 2.48 + 3827 2 -8.645000 4.238000 31.758000 36 " " W B 2 "TRP " " C " 6 0 2 1 3828 2.48 + 3828 15 -8.847000 4.472000 32.950000 36 " " W B 2 "TRP " " O " 8 0 2 1 3829 2.48 + 3829 3 -10.907000 4.220000 30.563000 36 " " W B 2 "TRP " " CB " 6 0 2 1 3830 2.48 + 3830 2 -11.685000 3.594000 29.447000 36 " " W B 2 "TRP " " CG " 6 0 2 1 3831 2.48 + 3831 2 -12.682000 2.689000 29.579000 36 " " W B 2 "TRP " " CD1" 6 0 2 1 3832 2.48 + 3832 2 -11.461000 3.736000 28.012000 36 " " W B 2 "TRP " " CD2" 6 0 2 1 3833 2.48 + 3833 25 -13.114000 2.293000 28.330000 36 " " W B 2 "TRP " " NE1" 7 0 2 1 3834 2.48 + 3834 2 -12.405000 2.915000 27.323000 36 " " W B 2 "TRP " " CE2" 6 0 2 1 3835 2.48 + 3835 2 -10.567000 4.494000 27.217000 36 " " W B 2 "TRP " " CE3" 6 0 2 1 3836 2.48 + 3836 2 -12.482000 2.875000 25.920000 36 " " W B 2 "TRP " " CZ2" 6 0 2 1 3837 2.48 + 3837 2 -10.632000 4.459000 25.810000 36 " " W B 2 "TRP " " CZ3" 6 0 2 1 3838 2.48 + 3838 2 -11.592000 3.658000 25.161000 36 " " W B 2 "TRP " " CH2" 6 0 2 1 3839 2.48 + 3839 43 -10.141000 2.405000 32.726000 36 " " W B 2 "TRP " " H " 1 0 2 1 3840 2.48 + 3840 41 -9.156000 3.107000 30.040000 36 " " W B 2 "TRP " " HA " 1 0 2 1 3841 2.48 + 3841 41 -10.617000 5.215000 30.223000 36 " " W B 2 "TRP " " HB3" 1 0 2 1 3842 2.48 + 3842 41 -11.560000 4.373000 31.424000 36 " " W B 2 "TRP " " HB2" 1 0 2 1 3843 2.48 + 3843 41 -13.064000 2.333000 30.525000 36 " " W B 2 "TRP " " HD1" 1 0 2 1 3844 2.48 + 3844 43 -13.876000 1.643000 28.200000 36 " " W B 2 "TRP " " HE1" 1 0 2 1 3845 2.48 + 3845 41 -9.832000 5.122000 27.699000 36 " " W B 2 "TRP " " HE3" 1 0 2 1 3846 2.48 + 3846 41 -13.219000 2.258000 25.430000 36 " " W B 2 "TRP " " HZ2" 1 0 2 1 3847 2.48 + 3847 41 -9.946000 5.055000 25.225000 36 " " W B 2 "TRP " " HZ3" 1 0 2 1 3848 2.48 + 3848 41 -11.642000 3.642000 24.082000 36 " " W B 2 "TRP " " HH2" 1 0 2 1 3849 2.48 + 3849 25 -7.561000 4.623000 31.073000 37 " " V B 2 "VAL " " N " 7 0 2 1 3850 2.48 + 3850 3 -6.422000 5.332000 31.634000 37 " " V B 2 "VAL " " CA " 6 0 2 1 3851 2.48 + 3851 2 -6.069000 6.482000 30.675000 37 " " V B 2 "VAL " " C " 6 0 2 1 3852 2.48 + 3852 15 -5.741000 6.236000 29.517000 37 " " V B 2 "VAL " " O " 8 0 2 1 3853 9.17 + 3853 3 -5.184000 4.395000 31.794000 37 " " V B 2 "VAL " " CB " 6 0 2 1 3854 9.17 + 3854 3 -3.924000 5.112000 32.321000 37 " " V B 2 "VAL " " CG1" 6 0 2 1 3855 9.17 + 3855 3 -5.487000 3.182000 32.695000 37 " " V B 2 "VAL " " CG2" 6 0 2 1 3856 9.17 + 3856 43 -7.479000 4.376000 30.094000 37 " " V B 2 "VAL " " H " 1 0 2 1 3857 2.48 + 3857 41 -6.684000 5.744000 32.609000 37 " " V B 2 "VAL " " HA " 1 0 2 1 3858 2.48 + 3858 41 -4.930000 3.993000 30.812000 37 " " V B 2 "VAL " " HB " 1 0 2 1 3859 9.17 + 3859 41 -3.097000 4.413000 32.448000 37 " " V B 2 "VAL " "HG11" 1 0 2 1 3860 9.17 + 3860 41 -3.577000 5.885000 31.637000 37 " " V B 2 "VAL " "HG12" 1 0 2 1 3861 9.17 + 3861 41 -4.107000 5.580000 33.288000 37 " " V B 2 "VAL " "HG13" 1 0 2 1 3862 9.17 + 3862 41 -4.604000 2.557000 32.828000 37 " " V B 2 "VAL " "HG21" 1 0 2 1 3863 9.17 + 3863 41 -5.820000 3.501000 33.684000 37 " " V B 2 "VAL " "HG22" 1 0 2 1 3864 9.17 + 3864 41 -6.263000 2.545000 32.271000 37 " " V B 2 "VAL " "HG23" 1 0 2 1 3865 9.17 + 3865 25 -6.140000 7.715000 31.189000 38 " " K B 2 "LYS " " N " 7 0 2 1 3866 2.48 + 3866 3 -5.715000 8.949000 30.532000 38 " " K B 2 "LYS " " CA " 6 0 2 1 3867 2.48 + 3867 2 -4.217000 9.203000 30.763000 38 " " K B 2 "LYS " " C " 6 0 2 1 3868 2.48 + 3868 15 -3.640000 8.674000 31.712000 38 " " K B 2 "LYS " " O " 8 0 2 1 3869 6.96 + 3869 3 -6.600000 10.083000 31.094000 38 " " K B 2 "LYS " " CB " 6 0 2 1 3870 6.96 + 3870 3 -6.223000 11.528000 30.720000 38 " " K B 2 "LYS " " CG " 6 0 2 1 3871 6.96 + 3871 3 -7.249000 12.545000 31.233000 38 " " K B 2 "LYS " " CD " 6 0 2 1 3872 6.96 + 3872 3 -6.866000 13.990000 30.892000 38 " " K B 2 "LYS " " CE " 6 0 2 1 3873 6.96 + 3873 32 -7.940000 14.925000 31.262000 38 " " K B 2 "LYS " " NZ " 7 1 2 1 3874 6.96 + 3874 43 -6.380000 7.812000 32.168000 38 " " K B 2 "LYS " " H " 1 0 2 1 3875 2.48 + 3875 41 -5.896000 8.868000 29.459000 38 " " K B 2 "LYS " " HA " 1 0 2 1 3876 2.48 + 3876 41 -6.612000 10.017000 32.182000 38 " " K B 2 "LYS " " HB3" 1 0 2 1 3877 6.96 + 3877 41 -7.616000 9.894000 30.756000 38 " " K B 2 "LYS " " HB2" 1 0 2 1 3878 6.96 + 3878 41 -6.146000 11.605000 29.637000 38 " " K B 2 "LYS " " HG3" 1 0 2 1 3879 6.96 + 3879 41 -5.249000 11.789000 31.134000 38 " " K B 2 "LYS " " HG2" 1 0 2 1 3880 6.96 + 3880 41 -7.342000 12.442000 32.315000 38 " " K B 2 "LYS " " HD3" 1 0 2 1 3881 6.96 + 3881 41 -8.230000 12.311000 30.818000 38 " " K B 2 "LYS " " HD2" 1 0 2 1 3882 6.96 + 3882 41 -6.690000 14.094000 29.822000 38 " " K B 2 "LYS " " HE3" 1 0 2 1 3883 6.96 + 3883 41 -5.949000 14.272000 31.408000 38 " " K B 2 "LYS " " HE2" 1 0 2 1 3884 6.96 + 3884 44 -7.687000 15.865000 30.987000 38 " " K B 2 "LYS " " HZ1" 1 0 2 1 3885 6.96 + 3885 44 -8.794000 14.666000 30.786000 38 " " K B 2 "LYS " " HZ2" 1 0 2 1 3886 6.96 + 3886 44 -8.092000 14.892000 32.261000 38 " " K B 2 "LYS " " HZ3" 1 0 2 1 3887 6.96 + 3887 25 -3.631000 10.049000 29.906000 39 " " Q B 2 "GLN " " N " 7 0 2 1 3888 18.77 + 3888 3 -2.286000 10.582000 30.062000 39 " " Q B 2 "GLN " " CA " 6 0 2 1 3889 18.77 + 3889 2 -2.174000 11.889000 29.270000 39 " " Q B 2 "GLN " " C " 6 0 2 1 3890 18.77 + 3890 15 -2.146000 11.836000 28.040000 39 " " Q B 2 "GLN " " O " 8 0 2 1 3891 10.51 + 3891 3 -1.247000 9.536000 29.605000 39 " " Q B 2 "GLN " " CB " 6 0 2 1 3892 10.51 + 3892 3 0.203000 10.045000 29.702000 39 " " Q B 2 "GLN " " CG " 6 0 2 1 3893 10.51 + 3893 2 1.232000 8.975000 29.355000 39 " " Q B 2 "GLN " " CD " 6 0 2 1 3894 10.51 + 3894 15 0.982000 8.101000 28.526000 39 " " Q B 2 "GLN " " OE1" 8 0 2 1 3895 10.51 + 3895 25 2.406000 9.056000 29.980000 39 " " Q B 2 "GLN " " NE2" 7 0 2 1 3896 10.51 + 3896 43 -4.156000 10.405000 29.120000 39 " " Q B 2 "GLN " " H " 1 0 2 1 3897 18.77 + 3897 41 -2.116000 10.805000 31.118000 39 " " Q B 2 "GLN " " HA " 1 0 2 1 3898 18.77 + 3898 41 -1.463000 9.232000 28.579000 39 " " Q B 2 "GLN " " HB3" 1 0 2 1 3899 10.51 + 3899 41 -1.350000 8.639000 30.215000 39 " " Q B 2 "GLN " " HB2" 1 0 2 1 3900 10.51 + 3900 41 0.386000 10.397000 30.717000 39 " " Q B 2 "GLN " " HG3" 1 0 2 1 3901 10.51 + 3901 41 0.375000 10.891000 29.037000 39 " " Q B 2 "GLN " " HG2" 1 0 2 1 3902 10.51 + 3902 43 3.121000 8.362000 29.809000 39 " " Q B 2 "GLN " "HE22" 1 0 2 1 3903 10.51 + 3903 43 2.581000 9.805000 30.636000 39 " " Q B 2 "GLN " "HE21" 1 0 2 1 3904 10.51 + 3904 25 -2.068000 13.029000 29.976000 40 " " R B 2 "ARG " " N " 7 0 0 1 3905 17.91 + 3905 3 -1.710000 14.316000 29.365000 40 " " R B 2 "ARG " " CA " 6 0 0 1 3906 17.91 + 3906 2 -0.199000 14.371000 29.035000 40 " " R B 2 "ARG " " C " 6 0 0 1 3907 17.91 + 3907 15 0.569000 13.720000 29.741000 40 " " R B 2 "ARG " " O " 8 0 0 1 3908 64.69 + 3908 3 -2.097000 15.482000 30.305000 40 " " R B 2 "ARG " " CB " 6 0 0 1 3909 64.69 + 3909 3 -3.460000 16.114000 29.968000 40 " " R B 2 "ARG " " CG " 6 0 0 1 3910 64.69 + 3910 3 -3.557000 17.597000 30.354000 40 " " R B 2 "ARG " " CD " 6 0 0 1 3911 64.69 + 3911 25 -3.305000 17.796000 31.786000 40 " " R B 2 "ARG " " NE " 7 0 0 1 3912 64.69 + 3912 2 -4.176000 17.564000 32.780000 40 " " R B 2 "ARG " " CZ " 6 0 0 1 3913 64.69 + 3913 25 -5.442000 17.201000 32.538000 40 " " R B 2 "ARG " " NH1" 7 0 0 1 3914 64.69 + 3914 31 -3.769000 17.696000 34.046000 40 " " R B 2 "ARG " " NH2" 7 1 0 1 3915 64.69 + 3915 43 -2.088000 12.999000 30.985000 40 " " R B 2 "ARG " " H " 1 0 0 1 3916 17.91 + 3916 41 -2.294000 14.374000 28.449000 40 " " R B 2 "ARG " " HA " 1 0 0 1 3917 17.91 + 3917 41 -1.356000 16.276000 30.197000 40 " " R B 2 "ARG " " HB3" 1 0 0 1 3918 64.69 + 3918 41 -2.044000 15.193000 31.356000 40 " " R B 2 "ARG " " HB2" 1 0 0 1 3919 64.69 + 3919 41 -4.302000 15.521000 30.323000 40 " " R B 2 "ARG " " HG3" 1 0 0 1 3920 64.69 + 3920 41 -3.546000 16.119000 28.885000 40 " " R B 2 "ARG " " HG2" 1 0 0 1 3921 64.69 + 3921 41 -4.552000 17.983000 30.142000 40 " " R B 2 "ARG " " HD3" 1 0 0 1 3922 64.69 + 3922 41 -2.873000 18.190000 29.746000 40 " " R B 2 "ARG " " HD2" 1 0 0 1 3923 64.69 + 3923 43 -2.354000 18.026000 32.037000 40 " " R B 2 "ARG " " HE " 1 0 0 1 3924 64.69 + 3924 43 -6.079000 17.039000 33.303000 40 " " R B 2 "ARG " "HH12" 1 0 0 1 3925 64.69 + 3925 43 -5.780000 17.169000 31.585000 40 " " R B 2 "ARG " "HH11" 1 0 0 1 3926 64.69 + 3926 44 -4.407000 17.530000 34.811000 40 " " R B 2 "ARG " "HH22" 1 0 0 1 3927 64.69 + 3927 44 -2.796000 17.894000 34.250000 40 " " R B 2 "ARG " "HH21" 1 0 0 1 3928 64.69 + 3928 25 0.186000 15.166000 28.001000 41 " " P B 2 "PRO " " N " 7 0 0 1 3929 8.74 + 3929 3 1.568000 15.335000 27.489000 41 " " P B 2 "PRO " " CA " 6 0 0 1 3930 8.74 + 3930 2 2.758000 15.206000 28.467000 41 " " P B 2 "PRO " " C " 6 0 0 1 3931 8.74 + 3931 15 3.357000 14.132000 28.514000 41 " " P B 2 "PRO " " O " 8 0 0 1 3932 43.39 + 3932 3 1.497000 16.690000 26.769000 41 " " P B 2 "PRO " " CB " 6 0 0 1 3933 43.39 + 3933 3 0.120000 16.672000 26.138000 41 " " P B 2 "PRO " " CG " 6 0 0 1 3934 43.39 + 3934 3 -0.735000 15.990000 27.201000 41 " " P B 2 "PRO " " CD " 6 0 0 1 3935 43.39 + 3935 41 1.699000 14.559000 26.732000 41 " " P B 2 "PRO " " HA " 1 0 0 1 3936 8.74 + 3936 41 2.293000 16.827000 26.036000 41 " " P B 2 "PRO " " HB3" 1 0 0 1 3937 43.39 + 3937 41 1.544000 17.517000 27.477000 41 " " P B 2 "PRO " " HB2" 1 0 0 1 3938 43.39 + 3938 41 0.145000 16.055000 25.239000 41 " " P B 2 "PRO " " HG3" 1 0 0 1 3939 43.39 + 3939 41 -0.245000 17.660000 25.857000 41 " " P B 2 "PRO " " HG2" 1 0 0 1 3940 43.39 + 3940 41 -1.195000 16.743000 27.841000 41 " " P B 2 "PRO " " HD2" 1 0 0 1 3941 43.39 + 3941 41 -1.526000 15.412000 26.722000 41 " " P B 2 "PRO " " HD3" 1 0 0 1 3942 43.39 + 3942 25 3.077000 16.266000 29.232000 42 " " E B 2 "GLU " " N " 7 0 0 1 3943 58.76 + 3943 3 4.192000 16.307000 30.193000 42 " " E B 2 "GLU " " CA " 6 0 0 1 3944 58.76 + 3944 2 3.863000 15.654000 31.557000 42 " " E B 2 "GLU " " C " 6 0 0 1 3945 58.76 + 3945 15 4.534000 15.960000 32.544000 42 " " E B 2 "GLU " " O " 8 0 0 1 3946 109.37 + 3946 3 4.708000 17.764000 30.368000 42 " " E B 2 "GLU " " CB " 6 0 0 1 3947 109.37 + 3947 3 5.486000 18.361000 29.174000 42 " " E B 2 "GLU " " CG " 6 0 0 1 3948 109.37 + 3948 2 4.649000 18.692000 27.938000 42 " " E B 2 "GLU " " CD " 6 0 0 1 3949 109.37 + 3949 15 3.486000 19.113000 28.122000 42 " " E B 2 "GLU " " OE1" 8 0 0 1 3950 109.37 + 3950 18 5.197000 18.531000 26.826000 42 " " E B 2 "GLU " " OE2" 8 -1 0 1 3951 109.37 + 3951 43 2.575000 17.135000 29.109000 42 " " E B 2 "GLU " " H " 1 0 0 1 3952 58.76 + 3952 41 5.019000 15.721000 29.785000 42 " " E B 2 "GLU " " HA " 1 0 0 1 3953 58.76 + 3953 41 5.384000 17.828000 31.221000 42 " " E B 2 "GLU " " HB3" 1 0 0 1 3954 109.37 + 3954 41 3.873000 18.416000 30.627000 42 " " E B 2 "GLU " " HB2" 1 0 0 1 3955 109.37 + 3955 41 6.295000 17.686000 28.890000 42 " " E B 2 "GLU " " HG3" 1 0 0 1 3956 109.37 + 3956 41 5.963000 19.289000 29.490000 42 " " E B 2 "GLU " " HG2" 1 0 0 1 3957 109.37 + 3957 25 2.841000 14.783000 31.613000 43 " " Q B 2 "GLN " " N " 7 0 0 1 3958 37.66 + 3958 3 2.318000 14.188000 32.843000 43 " " Q B 2 "GLN " " CA " 6 0 0 1 3959 37.66 + 3959 2 2.172000 12.666000 32.744000 43 " " Q B 2 "GLN " " C " 6 0 0 1 3960 37.66 + 3960 15 2.178000 12.095000 31.653000 43 " " Q B 2 "GLN " " O " 8 0 0 1 3961 79.18 + 3961 3 0.996000 14.895000 33.213000 43 " " Q B 2 "GLN " " CB " 6 0 0 1 3962 79.18 + 3962 3 1.245000 16.221000 33.962000 43 " " Q B 2 "GLN " " CG " 6 0 0 1 3963 79.18 + 3963 2 0.215000 17.294000 33.623000 43 " " Q B 2 "GLN " " CD " 6 0 0 1 3964 79.18 + 3964 15 -0.856000 17.350000 34.221000 43 " " Q B 2 "GLN " " OE1" 8 0 0 1 3965 79.18 + 3965 25 0.545000 18.162000 32.664000 43 " " Q B 2 "GLN " " NE2" 7 0 0 1 3966 79.18 + 3966 43 2.358000 14.526000 30.763000 43 " " Q B 2 "GLN " " H " 1 0 0 1 3967 37.66 + 3967 41 3.028000 14.347000 33.658000 43 " " Q B 2 "GLN " " HA " 1 0 0 1 3968 37.66 + 3968 41 0.370000 14.260000 33.842000 43 " " Q B 2 "GLN " " HB3" 1 0 0 1 3969 79.18 + 3969 41 0.415000 15.060000 32.304000 43 " " Q B 2 "GLN " " HB2" 1 0 0 1 3970 79.18 + 3970 41 2.228000 16.627000 33.728000 43 " " Q B 2 "GLN " " HG3" 1 0 0 1 3971 79.18 + 3971 41 1.250000 16.045000 35.038000 43 " " Q B 2 "GLN " " HG2" 1 0 0 1 3972 79.18 + 3972 43 -0.077000 18.917000 32.418000 43 " " Q B 2 "GLN " "HE22" 1 0 0 1 3973 79.18 + 3973 43 1.438000 18.087000 32.197000 43 " " Q B 2 "GLN " "HE21" 1 0 0 1 3974 79.18 + 3974 25 2.063000 12.046000 33.928000 44 " " G B 2 "GLY " " N " 7 0 0 1 3975 2.48 + 3975 3 1.948000 10.606000 34.102000 44 " " G B 2 "GLY " " CA " 6 0 0 1 3976 2.48 + 3976 2 0.519000 10.111000 33.853000 44 " " G B 2 "GLY " " C " 6 0 0 1 3977 2.48 + 3977 15 -0.397000 10.879000 33.550000 44 " " G B 2 "GLY " " O " 8 0 0 1 3978 8.04 + 3978 43 2.064000 12.601000 34.772000 44 " " G B 2 "GLY " " H " 1 0 0 1 3979 2.48 + 3979 41 2.237000 10.359000 35.124000 44 " " G B 2 "GLY " " HA3" 1 0 0 1 3980 2.48 + 3980 41 2.636000 10.092000 33.433000 44 " " G B 2 "GLY " " HA2" 1 0 0 1 3981 2.48 + 3981 25 0.361000 8.789000 33.996000 45 " " L B 2 "LEU " " N " 7 0 2 1 3982 9.23 + 3982 3 -0.894000 8.054000 33.855000 45 " " L B 2 "LEU " " CA " 6 0 2 1 3983 9.23 + 3983 2 -1.907000 8.440000 34.952000 45 " " L B 2 "LEU " " C " 6 0 2 1 3984 9.23 + 3984 15 -1.541000 8.488000 36.126000 45 " " L B 2 "LEU " " O " 8 0 2 1 3985 7.82 + 3985 3 -0.578000 6.541000 33.927000 45 " " L B 2 "LEU " " CB " 6 0 2 1 3986 7.82 + 3986 3 0.347000 5.996000 32.809000 45 " " L B 2 "LEU " " CG " 6 0 2 1 3987 7.82 + 3987 3 0.872000 4.594000 33.163000 45 " " L B 2 "LEU " " CD1" 6 0 2 1 3988 7.82 + 3988 3 -0.310000 6.021000 31.414000 45 " " L B 2 "LEU " " CD2" 6 0 2 1 3989 7.82 + 3989 43 1.161000 8.228000 34.250000 45 " " L B 2 "LEU " " H " 1 0 2 1 3990 9.23 + 3990 41 -1.314000 8.295000 32.878000 45 " " L B 2 "LEU " " HA " 1 0 2 1 3991 9.23 + 3991 41 -1.507000 5.969000 33.923000 45 " " L B 2 "LEU " " HB3" 1 0 2 1 3992 7.82 + 3992 41 -0.118000 6.340000 34.896000 45 " " L B 2 "LEU " " HB2" 1 0 2 1 3993 7.82 + 3993 41 1.227000 6.638000 32.765000 45 " " L B 2 "LEU " " HG " 1 0 2 1 3994 7.82 + 3994 41 1.811000 4.390000 32.647000 45 " " L B 2 "LEU " "HD11" 1 0 2 1 3995 7.82 + 3995 41 1.062000 4.489000 34.231000 45 " " L B 2 "LEU " "HD12" 1 0 2 1 3996 7.82 + 3996 41 0.161000 3.815000 32.887000 45 " " L B 2 "LEU " "HD13" 1 0 2 1 3997 7.82 + 3997 41 0.296000 6.597000 30.717000 45 " " L B 2 "LEU " "HD21" 1 0 2 1 3998 7.82 + 3998 41 -0.420000 5.024000 30.988000 45 " " L B 2 "LEU " "HD22" 1 0 2 1 3999 7.82 + 3999 41 -1.302000 6.470000 31.431000 45 " " L B 2 "LEU " "HD23" 1 0 2 1 4000 7.82 + 4000 25 -3.162000 8.678000 34.541000 46 " " E B 2 "GLU " " N " 7 0 2 1 4001 2.48 + 4001 3 -4.317000 8.908000 35.410000 46 " " E B 2 "GLU " " CA " 6 0 2 1 4002 2.48 + 4002 2 -5.352000 7.818000 35.136000 46 " " E B 2 "GLU " " C " 6 0 2 1 4003 2.48 + 4003 15 -5.715000 7.621000 33.980000 46 " " E B 2 "GLU " " O " 8 0 2 1 4004 26.87 + 4004 3 -4.982000 10.262000 35.084000 46 " " E B 2 "GLU " " CB " 6 0 2 1 4005 26.87 + 4005 3 -4.178000 11.510000 35.472000 46 " " E B 2 "GLU " " CG " 6 0 2 1 4006 26.87 + 4006 2 -4.996000 12.771000 35.182000 46 " " E B 2 "GLU " " CD " 6 0 2 1 4007 26.87 + 4007 15 -5.984000 12.994000 35.916000 46 " " E B 2 "GLU " " OE1" 8 0 2 1 4008 26.87 + 4008 18 -4.640000 13.481000 34.216000 46 " " E B 2 "GLU " " OE2" 8 -1 2 1 4009 26.87 + 4009 43 -3.372000 8.628000 33.551000 46 " " E B 2 "GLU " " H " 1 0 2 1 4010 2.48 + 4010 41 -4.035000 8.883000 36.464000 46 " " E B 2 "GLU " " HA " 1 0 2 1 4011 2.48 + 4011 41 -5.955000 10.306000 35.578000 46 " " E B 2 "GLU " " HB3" 1 0 2 1 4012 26.87 + 4012 41 -5.193000 10.311000 34.015000 46 " " E B 2 "GLU " " HB2" 1 0 2 1 4013 26.87 + 4013 41 -3.236000 11.544000 34.923000 46 " " E B 2 "GLU " " HG3" 1 0 2 1 4014 26.87 + 4014 41 -3.928000 11.486000 36.532000 46 " " E B 2 "GLU " " HG2" 1 0 2 1 4015 26.87 + 4015 25 -5.866000 7.177000 36.192000 47 " " W B 2 "TRP " " N " 7 0 2 1 4016 7.34 + 4016 3 -6.966000 6.222000 36.083000 47 " " W B 2 "TRP " " CA " 6 0 2 1 4017 7.34 + 4017 2 -8.307000 6.972000 35.971000 47 " " W B 2 "TRP " " C " 6 0 2 1 4018 7.34 + 4018 15 -8.621000 7.780000 36.846000 47 " " W B 2 "TRP " " O " 8 0 2 1 4019 2.48 + 4019 3 -6.910000 5.300000 37.308000 47 " " W B 2 "TRP " " CB " 6 0 2 1 4020 2.48 + 4020 2 -7.871000 4.154000 37.320000 47 " " W B 2 "TRP " " CG " 6 0 2 1 4021 2.48 + 4021 2 -7.793000 3.058000 36.532000 47 " " W B 2 "TRP " " CD1" 6 0 2 1 4022 2.48 + 4022 2 -9.070000 3.982000 38.132000 47 " " W B 2 "TRP " " CD2" 6 0 2 1 4023 2.48 + 4023 25 -8.848000 2.216000 36.814000 47 " " W B 2 "TRP " " NE1" 7 0 2 1 4024 2.48 + 4024 2 -9.667000 2.732000 37.795000 47 " " W B 2 "TRP " " CE2" 6 0 2 1 4025 2.48 + 4025 2 -9.706000 4.746000 39.136000 47 " " W B 2 "TRP " " CE3" 6 0 2 1 4026 2.48 + 4026 2 -10.834000 2.267000 38.421000 47 " " W B 2 "TRP " " CZ2" 6 0 2 1 4027 2.48 + 4027 2 -10.897000 4.304000 39.747000 47 " " W B 2 "TRP " " CZ3" 6 0 2 1 4028 2.48 + 4028 2 -11.455000 3.061000 39.398000 47 " " W B 2 "TRP " " CH2" 6 0 2 1 4029 2.48 + 4029 43 -5.557000 7.404000 37.127000 47 " " W B 2 "TRP " " H " 1 0 2 1 4030 7.34 + 4030 41 -6.816000 5.607000 35.192000 47 " " W B 2 "TRP " " HA " 1 0 2 1 4031 7.34 + 4031 41 -7.075000 5.892000 38.208000 47 " " W B 2 "TRP " " HB3" 1 0 2 1 4032 2.48 + 4032 41 -5.910000 4.877000 37.409000 47 " " W B 2 "TRP " " HB2" 1 0 2 1 4033 2.48 + 4033 41 -7.016000 2.879000 35.804000 47 " " W B 2 "TRP " " HD1" 1 0 2 1 4034 2.48 + 4034 43 -8.984000 1.328000 36.342000 47 " " W B 2 "TRP " " HE1" 1 0 2 1 4035 2.48 + 4035 41 -9.259000 5.679000 39.442000 47 " " W B 2 "TRP " " HE3" 1 0 2 1 4036 2.48 + 4036 41 -11.258000 1.318000 38.147000 47 " " W B 2 "TRP " " HZ2" 1 0 2 1 4037 2.48 + 4037 41 -11.376000 4.916000 40.496000 47 " " W B 2 "TRP " " HZ3" 1 0 2 1 4038 2.48 + 4038 41 -12.358000 2.714000 39.874000 47 " " W B 2 "TRP " " HH2" 1 0 2 1 4039 2.48 + 4039 25 -9.065000 6.695000 34.897000 48 " " I B 2 "ILE " " N " 7 0 2 1 4040 15.1 + 4040 3 -10.383000 7.288000 34.650000 48 " " I B 2 "ILE " " CA " 6 0 2 1 4041 15.1 + 4041 2 -11.476000 6.526000 35.420000 48 " " I B 2 "ILE " " C " 6 0 2 1 4042 15.1 + 4042 15 -12.277000 7.148000 36.119000 48 " " I B 2 "ILE " " O " 8 0 2 1 4043 5.41 + 4043 3 -10.765000 7.276000 33.134000 48 " " I B 2 "ILE " " CB " 6 0 2 1 4044 5.41 + 4044 3 -9.728000 8.008000 32.255000 48 " " I B 2 "ILE " " CG1" 6 0 2 1 4045 5.41 + 4045 3 -12.187000 7.805000 32.840000 48 " " I B 2 "ILE " " CG2" 6 0 2 1 4046 5.41 + 4046 3 -9.643000 9.514000 32.524000 48 " " I B 2 "ILE " " CD1" 6 0 2 1 4047 5.41 + 4047 43 -8.750000 6.012000 34.221000 48 " " I B 2 "ILE " " H " 1 0 2 1 4048 15.1 + 4048 41 -10.382000 8.320000 35.001000 48 " " I B 2 "ILE " " HA " 1 0 2 1 4049 15.1 + 4049 41 -10.756000 6.241000 32.794000 48 " " I B 2 "ILE " " HB " 1 0 2 1 4050 5.41 + 4050 41 -9.963000 7.843000 31.202000 48 " " I B 2 "ILE " "HG13" 1 0 2 1 4051 5.41 + 4051 41 -8.743000 7.564000 32.398000 48 " " I B 2 "ILE " "HG12" 1 0 2 1 4052 5.41 + 4052 41 -12.321000 7.973000 31.774000 48 " " I B 2 "ILE " "HG21" 1 0 2 1 4053 5.41 + 4053 41 -12.958000 7.105000 33.157000 48 " " I B 2 "ILE " "HG22" 1 0 2 1 4054 5.41 + 4054 41 -12.384000 8.752000 33.342000 48 " " I B 2 "ILE " "HG23" 1 0 2 1 4055 5.41 + 4055 41 -9.703000 10.090000 31.602000 48 " " I B 2 "ILE " "HD11" 1 0 2 1 4056 5.41 + 4056 41 -10.451000 9.855000 33.162000 48 " " I B 2 "ILE " "HD12" 1 0 2 1 4057 5.41 + 4057 41 -8.714000 9.766000 33.033000 48 " " I B 2 "ILE " "HD13" 1 0 2 1 4058 5.41 + 4058 25 -11.476000 5.194000 35.267000 49 " " G B 2 "GLY " " N " 7 0 2 1 4059 13.28 + 4059 3 -12.496000 4.321000 35.821000 49 " " G B 2 "GLY " " CA " 6 0 2 1 4060 13.28 + 4060 2 -12.404000 2.947000 35.152000 49 " " G B 2 "GLY " " C " 6 0 2 1 4061 13.28 + 4061 15 -11.557000 2.705000 34.289000 49 " " G B 2 "GLY " " O " 8 0 2 1 4062 17.39 + 4062 43 -10.773000 4.755000 34.688000 49 " " G B 2 "GLY " " H " 1 0 2 1 4063 13.28 + 4063 41 -13.487000 4.736000 35.637000 49 " " G B 2 "GLY " " HA3" 1 0 2 1 4064 13.28 + 4064 41 -12.357000 4.228000 36.897000 49 " " G B 2 "GLY " " HA2" 1 0 2 1 4065 13.28 + 4065 25 -13.307000 2.052000 35.574000 50 " " L B 2 "LEU " " N " 7 0 2 1 4066 10.23 + 4066 3 -13.459000 0.689000 35.076000 50 " " L B 2 "LEU " " CA " 6 0 2 1 4067 10.23 + 4067 2 -14.938000 0.379000 34.810000 50 " " L B 2 "LEU " " C " 6 0 2 1 4068 10.23 + 4068 15 -15.827000 1.111000 35.248000 50 " " L B 2 "LEU " " O " 8 0 2 1 4069 2.48 + 4069 3 -12.766000 -0.305000 36.055000 50 " " L B 2 "LEU " " CB " 6 0 2 1 4070 2.48 + 4070 3 -13.564000 -0.766000 37.311000 50 " " L B 2 "LEU " " CG " 6 0 2 1 4071 2.48 + 4071 3 -14.477000 -1.982000 37.031000 50 " " L B 2 "LEU " " CD1" 6 0 2 1 4072 2.48 + 4072 3 -12.650000 -1.042000 38.530000 50 " " L B 2 "LEU " " CD2" 6 0 2 1 4073 2.48 + 4073 43 -13.970000 2.329000 36.289000 50 " " L B 2 "LEU " " H " 1 0 2 1 4074 10.23 + 4074 41 -12.962000 0.625000 34.110000 50 " " L B 2 "LEU " " HA " 1 0 2 1 4075 10.23 + 4075 41 -11.841000 0.173000 36.366000 50 " " L B 2 "LEU " " HB3" 1 0 2 1 4076 2.48 + 4076 41 -12.437000 -1.185000 35.500000 50 " " L B 2 "LEU " " HB2" 1 0 2 1 4077 2.48 + 4077 41 -14.206000 0.066000 37.602000 50 " " L B 2 "LEU " " HG " 1 0 2 1 4078 2.48 + 4078 41 -14.444000 -2.740000 37.813000 50 " " L B 2 "LEU " "HD11" 1 0 2 1 4079 2.48 + 4079 41 -15.519000 -1.673000 36.947000 50 " " L B 2 "LEU " "HD12" 1 0 2 1 4080 2.48 + 4080 41 -14.207000 -2.486000 36.105000 50 " " L B 2 "LEU " "HD13" 1 0 2 1 4081 2.48 + 4081 41 -12.915000 -0.398000 39.369000 50 " " L B 2 "LEU " "HD21" 1 0 2 1 4082 2.48 + 4082 41 -12.708000 -2.069000 38.889000 50 " " L B 2 "LEU " "HD22" 1 0 2 1 4083 2.48 + 4083 41 -11.601000 -0.862000 38.318000 50 " " L B 2 "LEU " "HD23" 1 0 2 1 4084 2.48 + 4084 25 -15.149000 -0.746000 34.119000 51 " " I B 2 "ILE " " N " 7 0 2 1 4085 2.48 + 4085 3 -16.432000 -1.409000 33.941000 51 " " I B 2 "ILE " " CA " 6 0 2 1 4086 2.48 + 4086 2 -16.235000 -2.925000 34.080000 51 " " I B 2 "ILE " " C " 6 0 2 1 4087 2.48 + 4087 15 -15.191000 -3.447000 33.694000 51 " " I B 2 "ILE " " O " 8 0 2 1 4088 14.38 + 4088 3 -17.080000 -1.081000 32.564000 51 " " I B 2 "ILE " " CB " 6 0 2 1 4089 14.38 + 4089 3 -18.485000 -1.698000 32.366000 51 " " I B 2 "ILE " " CG1" 6 0 2 1 4090 14.38 + 4090 3 -16.183000 -1.428000 31.357000 51 " " I B 2 "ILE " " CG2" 6 0 2 1 4091 14.38 + 4091 3 -19.355000 -0.934000 31.361000 51 " " I B 2 "ILE " " CD1" 6 0 2 1 4092 14.38 + 4092 43 -14.351000 -1.259000 33.764000 51 " " I B 2 "ILE " " H " 1 0 2 1 4093 2.48 + 4093 41 -17.101000 -1.077000 34.731000 51 " " I B 2 "ILE " " HA " 1 0 2 1 4094 2.48 + 4094 41 -17.224000 -0.002000 32.580000 51 " " I B 2 "ILE " " HB " 1 0 2 1 4095 14.38 + 4095 41 -19.023000 -1.715000 33.311000 51 " " I B 2 "ILE " "HG13" 1 0 2 1 4096 14.38 + 4096 41 -18.403000 -2.739000 32.053000 51 " " I B 2 "ILE " "HG12" 1 0 2 1 4097 14.38 + 4097 41 -16.613000 -1.080000 30.418000 51 " " I B 2 "ILE " "HG21" 1 0 2 1 4098 14.38 + 4098 41 -15.202000 -0.963000 31.440000 51 " " I B 2 "ILE " "HG22" 1 0 2 1 4099 14.38 + 4099 41 -16.040000 -2.503000 31.263000 51 " " I B 2 "ILE " "HG23" 1 0 2 1 4100 14.38 + 4100 41 -20.300000 -1.452000 31.194000 51 " " I B 2 "ILE " "HD11" 1 0 2 1 4101 14.38 + 4101 41 -19.587000 0.069000 31.718000 51 " " I B 2 "ILE " "HD12" 1 0 2 1 4102 14.38 + 4102 41 -18.860000 -0.832000 30.399000 51 " " I B 2 "ILE " "HD13" 1 0 2 1 4103 14.38 + 4103 25 -17.265000 -3.583000 34.619000 52 " " D B 2 "ASP " " N " 7 0 2 1 4104 10.19 + 4104 3 -17.454000 -5.022000 34.682000 52 " " D B 2 "ASP " " CA " 6 0 2 1 4105 10.19 + 4105 2 -18.600000 -5.325000 33.691000 52 " " D B 2 "ASP " " C " 6 0 2 1 4106 10.19 + 4106 15 -19.761000 -5.205000 34.087000 52 " " D B 2 "ASP " " O " 8 0 2 1 4107 29.28 + 4107 3 -17.819000 -5.443000 36.131000 52 " " D B 2 "ASP " " CB " 6 0 2 1 4108 29.28 + 4108 2 -17.941000 -6.956000 36.341000 52 " " D B 2 "ASP " " CG " 6 0 2 1 4109 29.28 + 4109 15 -17.404000 -7.710000 35.500000 52 " " D B 2 "ASP " " OD1" 8 0 2 1 4110 29.28 + 4110 18 -18.512000 -7.332000 37.388000 52 " " D B 2 "ASP " " OD2" 8 -1 2 1 4111 29.28 + 4111 43 -18.057000 -3.041000 34.948000 52 " " D B 2 "ASP " " H " 1 0 2 1 4112 10.19 + 4112 41 -16.539000 -5.543000 34.399000 52 " " D B 2 "ASP " " HA " 1 0 2 1 4113 10.19 + 4113 41 -18.764000 -4.980000 36.420000 52 " " D B 2 "ASP " " HB3" 1 0 2 1 4114 29.28 + 4114 41 -17.065000 -5.065000 36.821000 52 " " D B 2 "ASP " " HB2" 1 0 2 1 4115 29.28 + 4115 25 -18.290000 -5.677000 32.418000 53 " " P B 2 "PRO " " N " 7 0 0 1 4116 4.08 + 4116 3 -19.318000 -5.962000 31.393000 53 " " P B 2 "PRO " " CA " 6 0 0 1 4117 4.08 + 4117 2 -20.201000 -7.202000 31.652000 53 " " P B 2 "PRO " " C " 6 0 0 1 4118 4.08 + 4118 15 -21.146000 -7.413000 30.894000 53 " " P B 2 "PRO " " O " 8 0 0 1 4119 6.72 + 4119 3 -18.525000 -6.082000 30.075000 53 " " P B 2 "PRO " " CB " 6 0 0 1 4120 6.72 + 4120 3 -17.188000 -5.426000 30.363000 53 " " P B 2 "PRO " " CG " 6 0 0 1 4121 6.72 + 4121 3 -16.963000 -5.779000 31.822000 53 " " P B 2 "PRO " " CD " 6 0 0 1 4122 6.72 + 4122 41 -19.966000 -5.086000 31.332000 53 " " P B 2 "PRO " " HA " 1 0 0 1 4123 4.08 + 4123 41 -19.038000 -5.616000 29.233000 53 " " P B 2 "PRO " " HB3" 1 0 0 1 4124 6.72 + 4124 41 -18.364000 -7.128000 29.815000 53 " " P B 2 "PRO " " HB2" 1 0 0 1 4125 6.72 + 4125 41 -17.281000 -4.344000 30.255000 53 " " P B 2 "PRO " " HG3" 1 0 0 1 4126 6.72 + 4126 41 -16.387000 -5.758000 29.707000 53 " " P B 2 "PRO " " HG2" 1 0 0 1 4127 6.72 + 4127 41 -16.647000 -6.815000 31.924000 53 " " P B 2 "PRO " " HD2" 1 0 0 1 4128 6.72 + 4128 41 -16.197000 -5.144000 32.250000 53 " " P B 2 "PRO " " HD3" 1 0 0 1 4129 6.72 + 4129 25 -19.901000 -7.972000 32.715000 54 " " E B 2 "GLU " " N " 7 0 0 1 4130 2.48 + 4130 3 -20.733000 -9.035000 33.273000 54 " " E B 2 "GLU " " CA " 6 0 0 1 4131 2.48 + 4131 2 -22.076000 -8.494000 33.799000 54 " " E B 2 "GLU " " C " 6 0 0 1 4132 2.48 + 4132 15 -23.066000 -8.539000 33.069000 54 " " E B 2 "GLU " " O " 8 0 0 1 4133 30.05 + 4133 3 -19.902000 -9.828000 34.314000 54 " " E B 2 "GLU " " CB " 6 0 0 1 4134 30.05 + 4134 3 -20.611000 -10.866000 35.213000 54 " " E B 2 "GLU " " CG " 6 0 0 1 4135 30.05 + 4135 2 -21.394000 -11.974000 34.500000 54 " " E B 2 "GLU " " CD " 6 0 0 1 4136 30.05 + 4136 15 -22.207000 -11.652000 33.605000 54 " " E B 2 "GLU " " OE1" 8 0 0 1 4137 30.05 + 4137 18 -21.197000 -13.142000 34.897000 54 " " E B 2 "GLU " " OE2" 8 -1 0 1 4138 30.05 + 4138 43 -19.086000 -7.739000 33.267000 54 " " E B 2 "GLU " " H " 1 0 0 1 4139 2.48 + 4139 41 -20.966000 -9.713000 32.458000 54 " " E B 2 "GLU " " HA " 1 0 0 1 4140 2.48 + 4140 41 -19.419000 -9.119000 34.980000 54 " " E B 2 "GLU " " HB3" 1 0 0 1 4141 30.05 + 4141 41 -19.085000 -10.327000 33.803000 54 " " E B 2 "GLU " " HB2" 1 0 0 1 4142 30.05 + 4142 41 -21.289000 -10.359000 35.890000 54 " " E B 2 "GLU " " HG3" 1 0 0 1 4143 30.05 + 4143 41 -19.862000 -11.331000 35.854000 54 " " E B 2 "GLU " " HG2" 1 0 0 1 4144 30.05 + 4144 25 -22.073000 -7.991000 35.045000 55 " " N B 2 "ASN " " N " 7 0 0 1 4145 22.85 + 4145 3 -23.234000 -7.427000 35.742000 55 " " N B 2 "ASN " " CA " 6 0 0 1 4146 22.85 + 4146 2 -23.211000 -5.888000 35.658000 55 " " N B 2 "ASN " " C " 6 0 0 1 4147 22.85 + 4147 15 -23.522000 -5.229000 36.649000 55 " " N B 2 "ASN " " O " 8 0 0 1 4148 84.78 + 4148 3 -23.256000 -7.978000 37.196000 55 " " N B 2 "ASN " " CB " 6 0 0 1 4149 84.78 + 4149 2 -23.896000 -9.366000 37.311000 55 " " N B 2 "ASN " " CG " 6 0 0 1 4150 84.78 + 4150 15 -25.102000 -9.506000 37.123000 55 " " N B 2 "ASN " " OD1" 8 0 0 1 4151 84.78 + 4151 25 -23.116000 -10.389000 37.661000 55 " " N B 2 "ASN " " ND2" 7 0 0 1 4152 84.78 + 4152 43 -21.206000 -7.988000 35.564000 55 " " N B 2 "ASN " " H " 1 0 0 1 4153 22.85 + 4153 41 -24.126000 -7.784000 35.224000 55 " " N B 2 "ASN " " HA " 1 0 0 1 4154 22.85 + 4154 41 -23.880000 -7.352000 37.834000 55 " " N B 2 "ASN " " HB3" 1 0 0 1 4155 84.78 + 4155 41 -22.261000 -7.958000 37.644000 55 " " N B 2 "ASN " " HB2" 1 0 0 1 4156 84.78 + 4156 43 -23.508000 -11.315000 37.750000 55 " " N B 2 "ASN " "HD22" 1 0 0 1 4157 84.78 + 4157 43 -22.129000 -10.252000 37.824000 55 " " N B 2 "ASN " "HD21" 1 0 0 1 4158 84.78 + 4158 25 -22.885000 -5.358000 34.460000 56 " " G B 2 "GLY " " N " 7 0 0 1 4159 12.03 + 4159 3 -22.963000 -3.958000 34.008000 56 " " G B 2 "GLY " " CA " 6 0 0 1 4160 12.03 + 4160 2 -22.410000 -2.876000 34.955000 56 " " G B 2 "GLY " " C " 6 0 0 1 4161 12.03 + 4161 15 -22.775000 -1.710000 34.803000 56 " " G B 2 "GLY " " O " 8 0 0 1 4162 18 + 4162 43 -22.622000 -6.015000 33.739000 56 " " G B 2 "GLY " " H " 1 0 0 1 4163 12.03 + 4163 41 -24.007000 -3.730000 33.791000 56 " " G B 2 "GLY " " HA3" 1 0 0 1 4164 12.03 + 4164 41 -22.427000 -3.882000 33.062000 56 " " G B 2 "GLY " " HA2" 1 0 0 1 4165 12.03 + 4165 25 -21.577000 -3.249000 35.939000 57 " " N B 2 "ASN " " N " 7 0 2 1 4166 10.28 + 4166 3 -21.141000 -2.396000 37.042000 57 " " N B 2 "ASN " " CA " 6 0 2 1 4167 10.28 + 4167 2 -19.984000 -1.498000 36.600000 57 " " N B 2 "ASN " " C " 6 0 2 1 4168 10.28 + 4168 15 -19.149000 -1.954000 35.829000 57 " " N B 2 "ASN " " O " 8 0 2 1 4169 44.28 + 4169 3 -20.695000 -3.297000 38.218000 57 " " N B 2 "ASN " " CB " 6 0 2 1 4170 44.28 + 4170 2 -21.154000 -2.750000 39.569000 57 " " N B 2 "ASN " " CG " 6 0 2 1 4171 44.28 + 4171 15 -20.513000 -1.864000 40.130000 57 " " N B 2 "ASN " " OD1" 8 0 2 1 4172 44.28 + 4172 25 -22.265000 -3.271000 40.093000 57 " " N B 2 "ASN " " ND2" 7 0 2 1 4173 44.28 + 4173 43 -21.293000 -4.217000 35.990000 57 " " N B 2 "ASN " " H " 1 0 2 1 4174 10.28 + 4174 41 -21.949000 -1.729000 37.353000 57 " " N B 2 "ASN " " HA " 1 0 2 1 4175 10.28 + 4175 41 -19.618000 -3.476000 38.223000 57 " " N B 2 "ASN " " HB3" 1 0 2 1 4176 44.28 + 4176 41 -21.145000 -4.287000 38.117000 57 " " N B 2 "ASN " " HB2" 1 0 2 1 4177 44.28 + 4177 43 -22.603000 -2.944000 40.986000 57 " " N B 2 "ASN " "HD22" 1 0 2 1 4178 44.28 + 4178 43 -22.774000 -3.993000 39.603000 57 " " N B 2 "ASN " "HD21" 1 0 2 1 4179 44.28 + 4179 25 -19.934000 -0.260000 37.111000 58 " " T B 2 "THR " " N " 7 0 2 1 4180 2.48 + 4180 3 -18.856000 0.684000 36.825000 58 " " T B 2 "THR " " CA " 6 0 2 1 4181 2.48 + 4181 2 -18.397000 1.364000 38.121000 58 " " T B 2 "THR " " C " 6 0 2 1 4182 2.48 + 4182 15 -19.212000 1.615000 39.010000 58 " " T B 2 "THR " " O " 8 0 2 1 4183 15.53 + 4183 3 -19.264000 1.772000 35.785000 58 " " T B 2 "THR " " CB " 6 0 2 1 4184 15.53 + 4184 16 -19.977000 2.874000 36.319000 58 " " T B 2 "THR " " OG1" 8 0 2 1 4185 15.53 + 4185 3 -20.018000 1.243000 34.558000 58 " " T B 2 "THR " " CG2" 6 0 2 1 4186 15.53 + 4186 43 -20.639000 0.056000 37.762000 58 " " T B 2 "THR " " H " 1 0 2 1 4187 2.48 + 4187 41 -17.991000 0.146000 36.438000 58 " " T B 2 "THR " " HA " 1 0 2 1 4188 2.48 + 4188 41 -18.332000 2.188000 35.406000 58 " " T B 2 "THR " " HB " 1 0 2 1 4189 15.53 + 4189 42 -19.437000 3.297000 36.991000 58 " " T B 2 "THR " " HG1" 1 0 2 1 4190 15.53 + 4190 41 -20.203000 2.041000 33.840000 58 " " T B 2 "THR " "HG21" 1 0 2 1 4191 15.53 + 4191 41 -19.435000 0.475000 34.055000 58 " " T B 2 "THR " "HG22" 1 0 2 1 4192 15.53 + 4192 41 -20.984000 0.814000 34.825000 58 " " T B 2 "THR " "HG23" 1 0 2 1 4193 15.53 + 4193 25 -17.092000 1.659000 38.183000 59 " " I B 2 "ILE " " N " 7 0 2 1 4194 2.48 + 4194 3 -16.467000 2.410000 39.265000 59 " " I B 2 "ILE " " CA " 6 0 2 1 4195 2.48 + 4195 2 -15.582000 3.470000 38.604000 59 " " I B 2 "ILE " " C " 6 0 2 1 4196 2.48 + 4196 15 -14.744000 3.115000 37.778000 59 " " I B 2 "ILE " " O " 8 0 2 1 4197 2.48 + 4197 3 -15.554000 1.522000 40.161000 59 " " I B 2 "ILE " " CB " 6 0 2 1 4198 2.48 + 4198 3 -16.323000 0.367000 40.854000 59 " " I B 2 "ILE " " CG1" 6 0 2 1 4199 2.48 + 4199 3 -14.828000 2.348000 41.242000 59 " " I B 2 "ILE " " CG2" 6 0 2 1 4200 2.48 + 4200 3 -16.430000 -0.931000 40.038000 59 " " I B 2 "ILE " " CD1" 6 0 2 1 4201 2.48 + 4201 43 -16.488000 1.425000 37.407000 59 " " I B 2 "ILE " " H " 1 0 2 1 4202 2.48 + 4202 41 -17.216000 2.908000 39.885000 59 " " I B 2 "ILE " " HA " 1 0 2 1 4203 2.48 + 4203 41 -14.775000 1.086000 39.538000 59 " " I B 2 "ILE " " HB " 1 0 2 1 4204 2.48 + 4204 41 -17.319000 0.706000 41.143000 59 " " I B 2 "ILE " "HG13" 1 0 2 1 4205 2.48 + 4205 41 -15.827000 0.107000 41.790000 59 " " I B 2 "ILE " "HG12" 1 0 2 1 4206 2.48 + 4206 41 -14.076000 1.726000 41.708000 59 " " I B 2 "ILE " "HG21" 1 0 2 1 4207 2.48 + 4207 41 -14.294000 3.220000 40.867000 59 " " I B 2 "ILE " "HG22" 1 0 2 1 4208 2.48 + 4208 41 -15.518000 2.695000 42.012000 59 " " I B 2 "ILE " "HG23" 1 0 2 1 4209 2.48 + 4209 41 -16.616000 -1.781000 40.694000 59 " " I B 2 "ILE " "HD11" 1 0 2 1 4210 2.48 + 4210 41 -17.246000 -0.900000 39.318000 59 " " I B 2 "ILE " "HD12" 1 0 2 1 4211 2.48 + 4211 41 -15.508000 -1.139000 39.498000 59 " " I B 2 "ILE " "HD13" 1 0 2 1 4212 2.48 + 4212 25 -15.770000 4.740000 38.991000 60 " " Y B 2 "TYR " " N " 7 0 2 1 4213 2.48 + 4213 3 -14.976000 5.862000 38.493000 60 " " Y B 2 "TYR " " CA " 6 0 2 1 4214 2.48 + 4214 2 -14.117000 6.429000 39.623000 60 " " Y B 2 "TYR " " C " 6 0 2 1 4215 2.48 + 4215 15 -14.502000 6.370000 40.793000 60 " " Y B 2 "TYR " " O " 8 0 2 1 4216 15.08 + 4216 3 -15.897000 6.977000 37.941000 60 " " Y B 2 "TYR " " CB " 6 0 2 1 4217 15.08 + 4217 2 -16.885000 6.599000 36.846000 60 " " Y B 2 "TYR " " CG " 6 0 2 1 4218 15.08 + 4218 2 -16.735000 5.425000 36.076000 60 " " Y B 2 "TYR " " CD1" 6 0 2 1 4219 15.08 + 4219 2 -17.993000 7.439000 36.607000 60 " " Y B 2 "TYR " " CD2" 6 0 2 1 4220 15.08 + 4220 2 -17.732000 5.040000 35.166000 60 " " Y B 2 "TYR " " CE1" 6 0 2 1 4221 15.08 + 4221 2 -18.968000 7.077000 35.656000 60 " " Y B 2 "TYR " " CE2" 6 0 2 1 4222 15.08 + 4222 2 -18.855000 5.859000 34.960000 60 " " Y B 2 "TYR " " CZ " 6 0 2 1 4223 15.08 + 4223 16 -19.831000 5.463000 34.093000 60 " " Y B 2 "TYR " " OH " 8 0 2 1 4224 15.08 + 4224 43 -16.467000 4.960000 39.688000 60 " " Y B 2 "TYR " " H " 1 0 2 1 4225 2.48 + 4225 41 -14.301000 5.551000 37.696000 60 " " Y B 2 "TYR " " HA " 1 0 2 1 4226 2.48 + 4226 41 -15.289000 7.799000 37.559000 60 " " Y B 2 "TYR " " HB3" 1 0 2 1 4227 15.08 + 4227 41 -16.477000 7.394000 38.766000 60 " " Y B 2 "TYR " " HB2" 1 0 2 1 4228 15.08 + 4228 41 -15.874000 4.788000 36.185000 60 " " Y B 2 "TYR " " HD1" 1 0 2 1 4229 15.08 + 4229 41 -18.113000 8.351000 37.171000 60 " " Y B 2 "TYR " " HD2" 1 0 2 1 4230 15.08 + 4230 41 -17.620000 4.123000 34.609000 60 " " Y B 2 "TYR " " HE1" 1 0 2 1 4231 15.08 + 4231 41 -19.822000 7.718000 35.492000 60 " " Y B 2 "TYR " " HE2" 1 0 2 1 4232 15.08 + 4232 42 -19.738000 4.552000 33.802000 60 " " Y B 2 "TYR " " HH " 1 0 2 1 4233 15.08 + 4233 25 -12.997000 7.044000 39.220000 61 " " D B 2 "ASP " " N " 7 0 0 1 4234 12.21 + 4234 3 -12.221000 7.954000 40.055000 61 " " D B 2 "ASP " " CA " 6 0 0 1 4235 12.21 + 4235 2 -13.085000 9.208000 40.340000 61 " " D B 2 "ASP " " C " 6 0 0 1 4236 12.21 + 4236 15 -13.724000 9.688000 39.399000 61 " " D B 2 "ASP " " O " 8 0 0 1 4237 25.24 + 4237 3 -10.916000 8.321000 39.323000 61 " " D B 2 "ASP " " CB " 6 0 0 1 4238 25.24 + 4238 2 -9.922000 9.146000 40.148000 61 " " D B 2 "ASP " " CG " 6 0 0 1 4239 25.24 + 4239 15 -10.209000 10.342000 40.372000 61 " " D B 2 "ASP " " OD1" 8 0 0 1 4240 25.24 + 4240 18 -8.881000 8.570000 40.530000 61 " " D B 2 "ASP " " OD2" 8 -1 0 1 4241 25.24 + 4241 43 -12.756000 7.044000 38.238000 61 " " D B 2 "ASP " " H " 1 0 0 1 4242 12.21 + 4242 41 -11.968000 7.407000 40.957000 61 " " D B 2 "ASP " " HA " 1 0 0 1 4243 12.21 + 4243 41 -11.137000 8.840000 38.399000 61 " " D B 2 "ASP " " HB3" 1 0 0 1 4244 25.24 + 4244 41 -10.414000 7.420000 38.983000 61 " " D B 2 "ASP " " HB2" 1 0 0 1 4245 25.24 + 4245 25 -13.099000 9.710000 41.601000 62 " " P B 2 "PRO " " N " 7 0 0 1 4246 9.35 + 4246 3 -13.786000 10.962000 41.991000 62 " " P B 2 "PRO " " CA " 6 0 0 1 4247 9.35 + 4247 2 -13.667000 12.162000 41.030000 62 " " P B 2 "PRO " " C " 6 0 0 1 4248 9.35 + 4248 15 -14.668000 12.832000 40.783000 62 " " P B 2 "PRO " " O " 8 0 0 1 4249 24.59 + 4249 3 -13.193000 11.284000 43.368000 62 " " P B 2 "PRO " " CB " 6 0 0 1 4250 24.59 + 4250 3 -12.913000 9.920000 43.968000 62 " " P B 2 "PRO " " CG " 6 0 0 1 4251 24.59 + 4251 3 -12.447000 9.106000 42.768000 62 " " P B 2 "PRO " " CD " 6 0 0 1 4252 24.59 + 4252 41 -14.833000 10.711000 42.135000 62 " " P B 2 "PRO " " HA " 1 0 0 1 4253 9.35 + 4253 41 -13.863000 11.880000 43.989000 62 " " P B 2 "PRO " " HB3" 1 0 0 1 4254 24.59 + 4254 41 -12.255000 11.835000 43.268000 62 " " P B 2 "PRO " " HB2" 1 0 0 1 4255 24.59 + 4255 41 -13.843000 9.500000 44.354000 62 " " P B 2 "PRO " " HG3" 1 0 0 1 4256 24.59 + 4256 41 -12.190000 9.941000 44.783000 62 " " P B 2 "PRO " " HG2" 1 0 0 1 4257 24.59 + 4257 41 -11.365000 9.186000 42.657000 62 " " P B 2 "PRO " " HD2" 1 0 0 1 4258 24.59 + 4258 41 -12.707000 8.056000 42.906000 62 " " P B 2 "PRO " " HD3" 1 0 0 1 4259 24.59 + 4259 25 -12.457000 12.368000 40.481000 63 " " K B 2 "LYS " " N " 7 0 0 1 4260 20.45 + 4260 3 -12.092000 13.443000 39.556000 63 " " K B 2 "LYS " " CA " 6 0 0 1 4261 20.45 + 4261 2 -12.844000 13.414000 38.207000 63 " " K B 2 "LYS " " C " 6 0 0 1 4262 20.45 + 4262 15 -12.966000 14.467000 37.580000 63 " " K B 2 "LYS " " O " 8 0 0 1 4263 46.19 + 4263 3 -10.560000 13.373000 39.360000 63 " " K B 2 "LYS " " CB " 6 0 0 1 4264 46.19 + 4264 3 -9.926000 14.527000 38.566000 63 " " K B 2 "LYS " " CG " 6 0 0 1 4265 46.19 + 4265 3 -8.396000 14.393000 38.489000 63 " " K B 2 "LYS " " CD " 6 0 0 1 4266 46.19 + 4266 3 -7.719000 15.514000 37.688000 63 " " K B 2 "LYS " " CE " 6 0 0 1 4267 46.19 + 4267 32 -7.869000 16.825000 38.344000 63 " " K B 2 "LYS " " NZ " 7 1 0 1 4268 46.19 + 4268 43 -11.706000 11.725000 40.702000 63 " " K B 2 "LYS " " H " 1 0 0 1 4269 20.45 + 4269 41 -12.334000 14.388000 40.044000 63 " " K B 2 "LYS " " HA " 1 0 0 1 4270 20.45 + 4270 41 -10.302000 12.433000 38.871000 63 " " K B 2 "LYS " " HB3" 1 0 0 1 4271 46.19 + 4271 41 -10.086000 13.342000 40.342000 63 " " K B 2 "LYS " " HB2" 1 0 0 1 4272 46.19 + 4272 41 -10.204000 15.476000 39.027000 63 " " K B 2 "LYS " " HG3" 1 0 0 1 4273 46.19 + 4273 41 -10.322000 14.545000 37.550000 63 " " K B 2 "LYS " " HG2" 1 0 0 1 4274 46.19 + 4274 41 -8.146000 13.436000 38.028000 63 " " K B 2 "LYS " " HD3" 1 0 0 1 4275 46.19 + 4275 41 -7.977000 14.356000 39.496000 63 " " K B 2 "LYS " " HD2" 1 0 0 1 4276 46.19 + 4276 41 -8.131000 15.563000 36.680000 63 " " K B 2 "LYS " " HE3" 1 0 0 1 4277 46.19 + 4277 41 -6.654000 15.301000 37.585000 63 " " K B 2 "LYS " " HE2" 1 0 0 1 4278 46.19 + 4278 44 -7.412000 17.535000 37.789000 63 " " K B 2 "LYS " " HZ1" 1 0 0 1 4279 46.19 + 4279 44 -8.851000 17.048000 38.429000 63 " " K B 2 "LYS " " HZ2" 1 0 0 1 4280 46.19 + 4280 44 -7.451000 16.793000 39.263000 63 " " K B 2 "LYS " " HZ3" 1 0 0 1 4281 46.19 + 4281 25 -13.328000 12.231000 37.788000 64 " " F B 2 "PHE " " N " 7 0 0 1 4282 11.56 + 4282 3 -13.968000 12.002000 36.490000 64 " " F B 2 "PHE " " CA " 6 0 0 1 4283 11.56 + 4283 2 -15.481000 11.737000 36.568000 64 " " F B 2 "PHE " " C " 6 0 0 1 4284 11.56 + 4284 15 -16.086000 11.510000 35.522000 64 " " F B 2 "PHE " " O " 8 0 0 1 4285 7.28 + 4285 3 -13.234000 10.865000 35.750000 64 " " F B 2 "PHE " " CB " 6 0 0 1 4286 7.28 + 4286 2 -11.823000 11.237000 35.337000 64 " " F B 2 "PHE " " CG " 6 0 0 1 4287 7.28 + 4287 2 -11.607000 12.076000 34.224000 64 " " F B 2 "PHE " " CD1" 6 0 0 1 4288 7.28 + 4288 2 -10.731000 10.910000 36.166000 64 " " F B 2 "PHE " " CD2" 6 0 0 1 4289 7.28 + 4289 2 -10.322000 12.512000 33.927000 64 " " F B 2 "PHE " " CE1" 6 0 0 1 4290 7.28 + 4290 2 -9.453000 11.337000 35.845000 64 " " F B 2 "PHE " " CE2" 6 0 0 1 4291 7.28 + 4291 2 -9.249000 12.136000 34.728000 64 " " F B 2 "PHE " " CZ " 6 0 0 1 4292 7.28 + 4292 43 -13.208000 11.413000 38.372000 64 " " F B 2 "PHE " " H " 1 0 0 1 4293 11.56 + 4293 41 -13.872000 12.897000 35.875000 64 " " F B 2 "PHE " " HA " 1 0 0 1 4294 11.56 + 4294 41 -13.772000 10.585000 34.845000 64 " " F B 2 "PHE " " HB3" 1 0 0 1 4295 7.28 + 4295 41 -13.198000 9.967000 36.371000 64 " " F B 2 "PHE " " HB2" 1 0 0 1 4296 7.28 + 4296 41 -12.437000 12.385000 33.606000 64 " " F B 2 "PHE " " HD1" 1 0 0 1 4297 7.28 + 4297 41 -10.884000 10.339000 37.061000 64 " " F B 2 "PHE " " HD2" 1 0 0 1 4298 7.28 + 4298 41 -10.156000 13.147000 33.070000 64 " " F B 2 "PHE " " HE1" 1 0 0 1 4299 7.28 + 4299 41 -8.618000 11.069000 36.477000 64 " " F B 2 "PHE " " HE2" 1 0 0 1 4300 7.28 + 4300 41 -8.253000 12.478000 34.494000 64 " " F B 2 "PHE " " HZ " 1 0 0 1 4301 7.28 + 4301 25 -16.085000 11.784000 37.768000 65 " " Q B 2 "GLN " " N " 7 0 0 1 4302 40.91 + 4302 3 -17.526000 11.591000 37.968000 65 " " Q B 2 "GLN " " CA " 6 0 0 1 4303 40.91 + 4303 2 -18.345000 12.715000 37.311000 65 " " Q B 2 "GLN " " C " 6 0 0 1 4304 40.91 + 4304 15 -18.125000 13.886000 37.619000 65 " " Q B 2 "GLN " " O " 8 0 0 1 4305 40.02 + 4305 3 -17.835000 11.494000 39.472000 65 " " Q B 2 "GLN " " CB " 6 0 0 1 4306 40.02 + 4306 3 -17.166000 10.286000 40.163000 65 " " Q B 2 "GLN " " CG " 6 0 0 1 4307 40.02 + 4307 2 -18.127000 9.230000 40.712000 65 " " Q B 2 "GLN " " CD " 6 0 0 1 4308 40.02 + 4308 15 -19.216000 9.020000 40.184000 65 " " Q B 2 "GLN " " OE1" 8 0 0 1 4309 40.02 + 4309 25 -17.701000 8.529000 41.765000 65 " " Q B 2 "GLN " " NE2" 7 0 0 1 4310 40.02 + 4310 43 -15.541000 11.997000 38.594000 65 " " Q B 2 "GLN " " H " 1 0 0 1 4311 40.91 + 4311 41 -17.802000 10.642000 37.504000 65 " " Q B 2 "GLN " " HA " 1 0 0 1 4312 40.91 + 4312 41 -18.915000 11.494000 39.633000 65 " " Q B 2 "GLN " " HB3" 1 0 0 1 4313 40.02 + 4313 41 -17.482000 12.404000 39.959000 65 " " Q B 2 "GLN " " HB2" 1 0 0 1 4314 40.02 + 4314 41 -16.597000 10.672000 41.002000 65 " " Q B 2 "GLN " " HG3" 1 0 0 1 4315 40.02 + 4315 41 -16.450000 9.791000 39.507000 65 " " Q B 2 "GLN " " HG2" 1 0 0 1 4316 40.02 + 4316 43 -18.291000 7.814000 42.164000 65 " " Q B 2 "GLN " "HE22" 1 0 0 1 4317 40.02 + 4317 43 -16.792000 8.704000 42.168000 65 " " Q B 2 "GLN " "HE21" 1 0 0 1 4318 40.02 + 4318 25 -19.247000 12.327000 36.395000 66 " " G B 2 "GLY " " N " 7 0 0 1 4319 65.11 + 4319 3 -20.079000 13.232000 35.597000 66 " " G B 2 "GLY " " CA " 6 0 0 1 4320 65.11 + 4320 2 -19.348000 13.744000 34.343000 66 " " G B 2 "GLY " " C " 6 0 0 1 4321 65.11 + 4321 15 -20.009000 14.066000 33.356000 66 " " G B 2 "GLY " " O " 8 0 0 1 4322 64.85 + 4322 43 -19.345000 11.342000 36.197000 66 " " G B 2 "GLY " " H " 1 0 0 1 4323 65.11 + 4323 41 -20.409000 14.083000 36.196000 66 " " G B 2 "GLY " " HA3" 1 0 0 1 4324 65.11 + 4324 41 -20.977000 12.694000 35.292000 66 " " G B 2 "GLY " " HA2" 1 0 0 1 4325 65.11 + 4325 25 -18.005000 13.795000 34.361000 67 " " K B 2 "LYS " " N " 7 0 0 1 4326 2.48 + 4326 3 -17.157000 14.148000 33.225000 67 " " K B 2 "LYS " " CA " 6 0 0 1 4327 2.48 + 4327 2 -17.062000 12.998000 32.207000 67 " " K B 2 "LYS " " C " 6 0 0 1 4328 2.48 + 4328 15 -17.112000 13.251000 31.004000 67 " " K B 2 "LYS " " O " 8 0 0 1 4329 22.88 + 4329 3 -15.766000 14.543000 33.769000 67 " " K B 2 "LYS " " CB " 6 0 0 1 4330 22.88 + 4330 3 -14.736000 14.993000 32.722000 67 " " K B 2 "LYS " " CG " 6 0 0 1 4331 22.88 + 4331 3 -15.159000 16.276000 32.000000 67 " " K B 2 "LYS " " CD " 6 0 0 1 4332 22.88 + 4332 3 -14.097000 16.747000 31.011000 67 " " K B 2 "LYS " " CE " 6 0 0 1 4333 22.88 + 4333 32 -14.472000 18.014000 30.370000 67 " " K B 2 "LYS " " NZ " 7 1 0 1 4334 22.88 + 4334 43 -17.521000 13.522000 35.204000 67 " " K B 2 "LYS " " H " 1 0 0 1 4335 2.48 + 4335 41 -17.607000 15.010000 32.730000 67 " " K B 2 "LYS " " HA " 1 0 0 1 4336 2.48 + 4336 41 -15.341000 13.700000 34.308000 67 " " K B 2 "LYS " " HB3" 1 0 0 1 4337 22.88 + 4337 41 -15.881000 15.338000 34.507000 67 " " K B 2 "LYS " " HB2" 1 0 0 1 4338 22.88 + 4338 41 -14.548000 14.199000 31.998000 67 " " K B 2 "LYS " " HG3" 1 0 0 1 4339 22.88 + 4339 41 -13.783000 15.163000 33.225000 67 " " K B 2 "LYS " " HG2" 1 0 0 1 4340 22.88 + 4340 41 -15.356000 17.060000 32.732000 67 " " K B 2 "LYS " " HD3" 1 0 0 1 4341 22.88 + 4341 41 -16.095000 16.102000 31.476000 67 " " K B 2 "LYS " " HD2" 1 0 0 1 4342 22.88 + 4342 41 -13.939000 15.992000 30.239000 67 " " K B 2 "LYS " " HE3" 1 0 0 1 4343 22.88 + 4343 41 -13.152000 16.896000 31.531000 67 " " K B 2 "LYS " " HE2" 1 0 0 1 4344 22.88 + 4344 44 -15.348000 17.895000 29.878000 67 " " K B 2 "LYS " " HZ1" 1 0 0 1 4345 22.88 + 4345 44 -14.564000 18.744000 31.060000 67 " " K B 2 "LYS " " HZ2" 1 0 0 1 4346 22.88 + 4346 44 -13.741000 18.254000 29.708000 67 " " K B 2 "LYS " " HZ3" 1 0 0 1 4347 22.88 + 4347 25 -16.926000 11.771000 32.732000 68 " " A B 2 "ALA " " N " 7 0 2 1 4348 2.48 + 4348 3 -16.785000 10.528000 31.989000 68 " " A B 2 "ALA " " CA " 6 0 2 1 4349 2.48 + 4349 2 -17.990000 9.610000 32.232000 68 " " A B 2 "ALA " " C " 6 0 2 1 4350 2.48 + 4350 15 -18.678000 9.736000 33.247000 68 " " A B 2 "ALA " " O " 8 0 2 1 4351 25.94 + 4351 3 -15.496000 9.832000 32.457000 68 " " A B 2 "ALA " " CB " 6 0 2 1 4352 25.94 + 4352 43 -16.905000 11.673000 33.740000 68 " " A B 2 "ALA " " H " 1 0 2 1 4353 2.48 + 4353 41 -16.691000 10.737000 30.925000 68 " " A B 2 "ALA " " HA " 1 0 2 1 4354 2.48 + 4354 41 -15.325000 8.904000 31.910000 68 " " A B 2 "ALA " " HB1" 1 0 2 1 4355 25.94 + 4355 41 -14.625000 10.468000 32.297000 68 " " A B 2 "ALA " " HB2" 1 0 2 1 4356 25.94 + 4356 41 -15.537000 9.582000 33.518000 68 " " A B 2 "ALA " " HB3" 1 0 2 1 4357 25.94 + 4357 25 -18.175000 8.661000 31.304000 69 " " S B 2 "SER " " N " 7 0 2 1 4358 13.42 + 4358 3 -19.111000 7.553000 31.430000 69 " " S B 2 "SER " " CA " 6 0 2 1 4359 13.42 + 4359 2 -18.624000 6.381000 30.570000 69 " " S B 2 "SER " " C " 6 0 2 1 4360 13.42 + 4360 15 -18.703000 6.438000 29.341000 69 " " S B 2 "SER " " O " 8 0 2 1 4361 33.04 + 4361 3 -20.569000 7.998000 31.161000 69 " " S B 2 "SER " " CB " 6 0 2 1 4362 33.04 + 4362 16 -20.798000 8.382000 29.820000 69 " " S B 2 "SER " " OG " 8 0 2 1 4363 33.04 + 4363 43 -17.598000 8.657000 30.475000 69 " " S B 2 "SER " " H " 1 0 2 1 4364 13.42 + 4364 41 -19.069000 7.234000 32.470000 69 " " S B 2 "SER " " HA " 1 0 2 1 4365 13.42 + 4365 41 -20.849000 8.825000 31.814000 69 " " S B 2 "SER " " HB3" 1 0 2 1 4366 33.04 + 4366 41 -21.250000 7.179000 31.397000 69 " " S B 2 "SER " " HB2" 1 0 2 1 4367 33.04 + 4367 42 -20.614000 7.628000 29.254000 69 " " S B 2 "SER " " HG " 1 0 2 1 4368 33.04 + 4368 25 -18.113000 5.340000 31.246000 70 " " I B 2 "ILE " " N " 7 0 0 1 4369 2.48 + 4369 3 -17.681000 4.092000 30.626000 70 " " I B 2 "ILE " " CA " 6 0 0 1 4370 2.48 + 4370 2 -18.920000 3.197000 30.431000 70 " " I B 2 "ILE " " C " 6 0 0 1 4371 2.48 + 4371 15 -19.597000 2.880000 31.410000 70 " " I B 2 "ILE " " O " 8 0 0 1 4372 2.48 + 4372 3 -16.610000 3.334000 31.479000 70 " " I B 2 "ILE " " CB " 6 0 0 1 4373 2.48 + 4373 3 -15.285000 4.125000 31.617000 70 " " I B 2 "ILE " " CG1" 6 0 0 1 4374 2.48 + 4374 3 -16.251000 1.942000 30.915000 70 " " I B 2 "ILE " " CG2" 6 0 0 1 4375 2.48 + 4375 3 -15.328000 5.348000 32.542000 70 " " I B 2 "ILE " " CD1" 6 0 0 1 4376 2.48 + 4376 43 -18.071000 5.374000 32.255000 70 " " I B 2 "ILE " " H " 1 0 0 1 4377 2.48 + 4377 41 -17.246000 4.324000 29.656000 70 " " I B 2 "ILE " " HA " 1 0 0 1 4378 2.48 + 4378 41 -17.016000 3.174000 32.479000 70 " " I B 2 "ILE " " HB " 1 0 0 1 4379 2.48 + 4379 41 -14.936000 4.427000 30.628000 70 " " I B 2 "ILE " "HG13" 1 0 0 1 4380 2.48 + 4380 41 -14.512000 3.464000 32.011000 70 " " I B 2 "ILE " "HG12" 1 0 0 1 4381 2.48 + 4381 41 -15.568000 1.424000 31.589000 70 " " I B 2 "ILE " "HG21" 1 0 0 1 4382 2.48 + 4382 41 -17.117000 1.298000 30.778000 70 " " I B 2 "ILE " "HG22" 1 0 0 1 4383 2.48 + 4383 41 -15.747000 2.014000 29.954000 70 " " I B 2 "ILE " "HG23" 1 0 0 1 4384 2.48 + 4384 41 -14.472000 5.357000 33.216000 70 " " I B 2 "ILE " "HD11" 1 0 0 1 4385 2.48 + 4385 41 -15.327000 6.279000 31.978000 70 " " I B 2 "ILE " "HD12" 1 0 0 1 4386 2.48 + 4386 41 -16.219000 5.360000 33.155000 70 " " I B 2 "ILE " "HD13" 1 0 0 1 4387 2.48 + 4387 25 -19.180000 2.816000 29.173000 71 " " T B 2 "THR " " N " 7 0 0 1 4388 9.67 + 4388 3 -20.241000 1.884000 28.784000 71 " " T B 2 "THR " " CA " 6 0 0 1 4389 9.67 + 4389 2 -19.610000 0.694000 28.037000 71 " " T B 2 "THR " " C " 6 0 0 1 4390 9.67 + 4390 15 -18.436000 0.756000 27.676000 71 " " T B 2 "THR " " O " 8 0 0 1 4391 28.63 + 4391 3 -21.325000 2.574000 27.895000 71 " " T B 2 "THR " " CB " 6 0 0 1 4392 28.63 + 4392 16 -20.998000 2.691000 26.520000 71 " " T B 2 "THR " " OG1" 8 0 0 1 4393 28.63 + 4393 3 -21.789000 3.941000 28.424000 71 " " T B 2 "THR " " CG2" 6 0 0 1 4394 28.63 + 4394 43 -18.567000 3.116000 28.428000 71 " " T B 2 "THR " " H " 1 0 0 1 4395 9.67 + 4395 41 -20.733000 1.478000 29.669000 71 " " T B 2 "THR " " HA " 1 0 0 1 4396 9.67 + 4396 41 -22.202000 1.925000 27.919000 71 " " T B 2 "THR " " HB " 1 0 0 1 4397 28.63 + 4397 42 -20.909000 1.808000 26.151000 71 " " T B 2 "THR " " HG1" 1 0 0 1 4398 28.63 + 4398 41 -22.627000 4.324000 27.841000 71 " " T B 2 "THR " "HG21" 1 0 0 1 4399 28.63 + 4399 41 -22.115000 3.868000 29.462000 71 " " T B 2 "THR " "HG22" 1 0 0 1 4400 28.63 + 4400 41 -20.992000 4.684000 28.377000 71 " " T B 2 "THR " "HG23" 1 0 0 1 4401 28.63 + 4401 25 -20.383000 -0.383000 27.834000 72 " " A B 2 "ALA " " N " 7 0 2 1 4402 2.48 + 4402 3 -19.917000 -1.561000 27.109000 72 " " A B 2 "ALA " " CA " 6 0 2 1 4403 2.48 + 4403 2 -21.073000 -2.244000 26.379000 72 " " A B 2 "ALA " " C " 6 0 2 1 4404 2.48 + 4404 15 -22.142000 -2.441000 26.958000 72 " " A B 2 "ALA " " O " 8 0 2 1 4405 22.46 + 4405 3 -19.186000 -2.532000 28.053000 72 " " A B 2 "ALA " " CB " 6 0 2 1 4406 22.46 + 4406 43 -21.339000 -0.408000 28.160000 72 " " A B 2 "ALA " " H " 1 0 2 1 4407 2.48 + 4407 41 -19.206000 -1.236000 26.349000 72 " " A B 2 "ALA " " HA " 1 0 2 1 4408 2.48 + 4408 41 -18.899000 -3.445000 27.532000 72 " " A B 2 "ALA " " HB1" 1 0 2 1 4409 22.46 + 4409 41 -18.271000 -2.089000 28.447000 72 " " A B 2 "ALA " " HB2" 1 0 2 1 4410 22.46 + 4410 41 -19.811000 -2.819000 28.900000 72 " " A B 2 "ALA " " HB3" 1 0 2 1 4411 22.46 + 4411 25 -20.795000 -2.616000 25.124000 73 " " D B 2 "ASP " " N " 7 0 2 1 4412 11.31 + 4412 3 -21.645000 -3.403000 24.246000 73 " " D B 2 "ASP " " CA " 6 0 2 1 4413 11.31 + 4413 2 -21.003000 -4.796000 24.211000 73 " " D B 2 "ASP " " C " 6 0 2 1 4414 11.31 + 4414 15 -20.012000 -4.992000 23.508000 73 " " D B 2 "ASP " " O " 8 0 2 1 4415 37.4 + 4415 3 -21.733000 -2.722000 22.857000 73 " " D B 2 "ASP " " CB " 6 0 2 1 4416 37.4 + 4416 2 -22.613000 -3.410000 21.807000 73 " " D B 2 "ASP " " CG " 6 0 2 1 4417 37.4 + 4417 15 -22.979000 -4.588000 21.999000 73 " " D B 2 "ASP " " OD1" 8 0 2 1 4418 37.4 + 4418 18 -22.838000 -2.753000 20.768000 73 " " D B 2 "ASP " " OD2" 8 -1 2 1 4419 37.4 + 4419 43 -19.869000 -2.424000 24.760000 73 " " D B 2 "ASP " " H " 1 0 2 1 4420 11.31 + 4420 41 -22.654000 -3.482000 24.657000 73 " " D B 2 "ASP " " HA " 1 0 2 1 4421 11.31 + 4421 41 -20.730000 -2.624000 22.442000 73 " " D B 2 "ASP " " HB3" 1 0 2 1 4422 37.4 + 4422 41 -22.131000 -1.718000 23.005000 73 " " D B 2 "ASP " " HB2" 1 0 2 1 4423 37.4 + 4423 25 -21.573000 -5.726000 24.993000 74 " " T B 2 "THR " " N " 7 0 0 1 4424 48.33 + 4424 3 -21.084000 -7.099000 25.126000 74 " " T B 2 "THR " " CA " 6 0 0 1 4425 48.33 + 4425 2 -21.360000 -7.984000 23.881000 74 " " T B 2 "THR " " C " 6 0 0 1 4426 48.33 + 4426 15 -20.747000 -9.045000 23.766000 74 " " T B 2 "THR " " O " 8 0 0 1 4427 27.34 + 4427 3 -21.656000 -7.763000 26.414000 74 " " T B 2 "THR " " CB " 6 0 0 1 4428 27.34 + 4428 16 -20.992000 -8.979000 26.701000 74 " " T B 2 "THR " " OG1" 8 0 0 1 4429 27.34 + 4429 3 -23.166000 -8.067000 26.373000 74 " " T B 2 "THR " " CG2" 6 0 0 1 4430 27.34 + 4430 43 -22.382000 -5.483000 25.547000 74 " " T B 2 "THR " " H " 1 0 0 1 4431 48.33 + 4431 41 -19.998000 -7.048000 25.239000 74 " " T B 2 "THR " " HA " 1 0 0 1 4432 48.33 + 4432 41 -21.463000 -7.098000 27.257000 74 " " T B 2 "THR " " HB " 1 0 0 1 4433 27.34 + 4433 42 -21.085000 -9.564000 25.943000 74 " " T B 2 "THR " " HG1" 1 0 0 1 4434 27.34 + 4434 41 -23.505000 -8.468000 27.329000 74 " " T B 2 "THR " "HG21" 1 0 0 1 4435 27.34 + 4435 41 -23.744000 -7.164000 26.177000 74 " " T B 2 "THR " "HG22" 1 0 0 1 4436 27.34 + 4436 41 -23.422000 -8.798000 25.605000 74 " " T B 2 "THR " "HG23" 1 0 0 1 4437 27.34 + 4437 25 -22.236000 -7.527000 22.963000 75 " " S B 2 "SER " " N " 7 0 0 1 4438 67.64 + 4438 3 -22.519000 -8.184000 21.683000 75 " " S B 2 "SER " " CA " 6 0 0 1 4439 67.64 + 4439 2 -21.367000 -7.957000 20.692000 75 " " S B 2 "SER " " C " 6 0 0 1 4440 67.64 + 4440 15 -20.790000 -8.930000 20.206000 75 " " S B 2 "SER " " O " 8 0 0 1 4441 51.21 + 4441 3 -23.845000 -7.668000 21.085000 75 " " S B 2 "SER " " CB " 6 0 0 1 4442 51.21 + 4442 16 -24.929000 -7.925000 21.952000 75 " " S B 2 "SER " " OG " 8 0 0 1 4443 51.21 + 4443 43 -22.698000 -6.639000 23.108000 75 " " S B 2 "SER " " H " 1 0 0 1 4444 67.64 + 4444 41 -22.617000 -9.258000 21.856000 75 " " S B 2 "SER " " HA " 1 0 0 1 4445 67.64 + 4445 41 -24.048000 -8.173000 20.140000 75 " " S B 2 "SER " " HB3" 1 0 0 1 4446 51.21 + 4446 41 -23.815000 -6.604000 20.862000 75 " " S B 2 "SER " " HB2" 1 0 0 1 4447 51.21 + 4447 42 -25.722000 -7.536000 21.574000 75 " " S B 2 "SER " " HG " 1 0 0 1 4448 51.21 + 4448 25 -21.032000 -6.676000 20.447000 76 " " S B 2 "SER " " N " 7 0 0 1 4449 10.35 + 4449 3 -19.902000 -6.254000 19.609000 76 " " S B 2 "SER " " CA " 6 0 0 1 4450 10.35 + 4450 2 -18.531000 -6.393000 20.299000 76 " " S B 2 "SER " " C " 6 0 0 1 4451 10.35 + 4451 15 -17.513000 -6.162000 19.643000 76 " " S B 2 "SER " " O " 8 0 0 1 4452 23.47 + 4452 3 -20.150000 -4.822000 19.088000 76 " " S B 2 "SER " " CB " 6 0 0 1 4453 23.47 + 4453 16 -19.945000 -3.830000 20.074000 76 " " S B 2 "SER " " OG " 8 0 0 1 4454 23.47 + 4454 43 -21.555000 -5.933000 20.895000 76 " " S B 2 "SER " " H " 1 0 0 1 4455 10.35 + 4455 41 -19.882000 -6.911000 18.737000 76 " " S B 2 "SER " " HA " 1 0 0 1 4456 10.35 + 4456 41 -21.162000 -4.726000 18.691000 76 " " S B 2 "SER " " HB3" 1 0 0 1 4457 23.47 + 4457 41 -19.473000 -4.608000 18.260000 76 " " S B 2 "SER " " HB2" 1 0 0 1 4458 23.47 + 4458 42 -20.799000 -3.612000 20.462000 76 " " S B 2 "SER " " HG " 1 0 0 1 4459 23.47 + 4459 25 -18.532000 -6.758000 21.595000 77 " " N B 2 "ASN " " N " 7 0 0 1 4460 2.48 + 4460 3 -17.365000 -6.985000 22.446000 77 " " N B 2 "ASN " " CA " 6 0 0 1 4461 2.48 + 4461 2 -16.487000 -5.722000 22.552000 77 " " N B 2 "ASN " " C " 6 0 0 1 4462 2.48 + 4462 15 -15.275000 -5.791000 22.363000 77 " " N B 2 "ASN " " O " 8 0 0 1 4463 29.4 + 4463 3 -16.594000 -8.226000 21.931000 77 " " N B 2 "ASN " " CB " 6 0 0 1 4464 29.4 + 4464 2 -15.842000 -8.993000 23.014000 77 " " N B 2 "ASN " " CG " 6 0 0 1 4465 29.4 + 4465 15 -16.369000 -9.270000 24.088000 77 " " N B 2 "ASN " " OD1" 8 0 0 1 4466 29.4 + 4466 25 -14.604000 -9.366000 22.703000 77 " " N B 2 "ASN " " ND2" 7 0 0 1 4467 29.4 + 4467 43 -19.425000 -6.901000 22.045000 77 " " N B 2 "ASN " " H " 1 0 0 1 4468 2.48 + 4468 41 -17.705000 -7.152000 23.470000 77 " " N B 2 "ASN " " HA " 1 0 0 1 4469 2.48 + 4469 41 -15.949000 -7.981000 21.085000 77 " " N B 2 "ASN " " HB3" 1 0 0 1 4470 29.4 + 4470 41 -17.314000 -8.950000 21.546000 77 " " N B 2 "ASN " " HB2" 1 0 0 1 4471 29.4 + 4471 43 -14.056000 -9.930000 23.343000 77 " " N B 2 "ASN " "HD22" 1 0 0 1 4472 29.4 + 4472 43 -14.202000 -9.104000 21.814000 77 " " N B 2 "ASN " "HD21" 1 0 0 1 4473 29.4 + 4473 25 -17.140000 -4.576000 22.797000 78 " " T B 2 "THR " " N " 7 0 2 1 4474 39.24 + 4474 3 -16.516000 -3.260000 22.767000 78 " " T B 2 "THR " " CA " 6 0 2 1 4475 39.24 + 4475 2 -16.834000 -2.502000 24.060000 78 " " T B 2 "THR " " C " 6 0 2 1 4476 39.24 + 4476 15 -18.005000 -2.335000 24.393000 78 " " T B 2 "THR " " O " 8 0 2 1 4477 23.41 + 4477 3 -17.033000 -2.424000 21.564000 78 " " T B 2 "THR " " CB " 6 0 2 1 4478 23.41 + 4478 16 -16.727000 -3.100000 20.360000 78 " " T B 2 "THR " " OG1" 8 0 2 1 4479 23.41 + 4479 3 -16.438000 -1.010000 21.443000 78 " " T B 2 "THR " " CG2" 6 0 2 1 4480 23.41 + 4480 43 -18.141000 -4.594000 22.952000 78 " " T B 2 "THR " " H " 1 0 2 1 4481 39.24 + 4481 41 -15.434000 -3.354000 22.685000 78 " " T B 2 "THR " " HA " 1 0 2 1 4482 39.24 + 4482 41 -18.120000 -2.339000 21.617000 78 " " T B 2 "THR " " HB " 1 0 2 1 4483 23.41 + 4483 42 -17.217000 -3.927000 20.343000 78 " " T B 2 "THR " " HG1" 1 0 2 1 4484 23.41 + 4484 41 -16.784000 -0.519000 20.534000 78 " " T B 2 "THR " "HG21" 1 0 2 1 4485 23.41 + 4485 41 -16.723000 -0.372000 22.278000 78 " " T B 2 "THR " "HG22" 1 0 2 1 4486 23.41 + 4486 41 -15.351000 -1.040000 21.402000 78 " " T B 2 "THR " "HG23" 1 0 2 1 4487 23.41 + 4487 25 -15.773000 -2.024000 24.727000 79 " " A B 2 "ALA " " N " 7 0 2 1 4488 12.79 + 4488 3 -15.847000 -1.037000 25.800000 79 " " A B 2 "ALA " " CA " 6 0 2 1 4489 12.79 + 4489 2 -15.749000 0.371000 25.197000 79 " " A B 2 "ALA " " C " 6 0 2 1 4490 12.79 + 4490 15 -15.119000 0.556000 24.156000 79 " " A B 2 "ALA " " O " 8 0 2 1 4491 8.63 + 4491 3 -14.701000 -1.286000 26.791000 79 " " A B 2 "ALA " " CB " 6 0 2 1 4492 8.63 + 4492 43 -14.845000 -2.206000 24.367000 79 " " A B 2 "ALA " " H " 1 0 2 1 4493 12.79 + 4493 41 -16.793000 -1.135000 26.335000 79 " " A B 2 "ALA " " HA " 1 0 2 1 4494 12.79 + 4494 41 -14.724000 -0.570000 27.613000 79 " " A B 2 "ALA " " HB1" 1 0 2 1 4495 8.63 + 4495 41 -14.775000 -2.283000 27.226000 79 " " A B 2 "ALA " " HB2" 1 0 2 1 4496 8.63 + 4496 41 -13.725000 -1.209000 26.309000 79 " " A B 2 "ALA " " HB3" 1 0 2 1 4497 8.63 + 4497 25 -16.378000 1.339000 25.868000 80 " " Y B 2 "TYR " " N " 7 0 2 1 4498 2.48 + 4498 3 -16.435000 2.738000 25.462000 80 " " Y B 2 "TYR " " CA " 6 0 2 1 4499 2.48 + 4499 2 -16.057000 3.636000 26.636000 80 " " Y B 2 "TYR " " C " 6 0 2 1 4500 2.48 + 4500 15 -16.071000 3.200000 27.785000 80 " " Y B 2 "TYR " " O " 8 0 2 1 4501 20.73 + 4501 3 -17.857000 3.085000 24.986000 80 " " Y B 2 "TYR " " CB " 6 0 2 1 4502 20.73 + 4502 2 -18.326000 2.316000 23.769000 80 " " Y B 2 "TYR " " CG " 6 0 2 1 4503 20.73 + 4503 2 -19.071000 1.130000 23.925000 80 " " Y B 2 "TYR " " CD1" 6 0 2 1 4504 20.73 + 4504 2 -18.016000 2.786000 22.476000 80 " " Y B 2 "TYR " " CD2" 6 0 2 1 4505 20.73 + 4505 2 -19.510000 0.421000 22.793000 80 " " Y B 2 "TYR " " CE1" 6 0 2 1 4506 20.73 + 4506 2 -18.467000 2.082000 21.344000 80 " " Y B 2 "TYR " " CE2" 6 0 2 1 4507 20.73 + 4507 2 -19.214000 0.899000 21.501000 80 " " Y B 2 "TYR " " CZ " 6 0 2 1 4508 20.73 + 4508 16 -19.634000 0.208000 20.402000 80 " " Y B 2 "TYR " " OH " 8 0 2 1 4509 20.73 + 4509 43 -16.890000 1.111000 26.713000 80 " " Y B 2 "TYR " " H " 1 0 2 1 4510 2.48 + 4510 41 -15.724000 2.926000 24.658000 80 " " Y B 2 "TYR " " HA " 1 0 2 1 4511 2.48 + 4511 41 -17.924000 4.147000 24.745000 80 " " Y B 2 "TYR " " HB3" 1 0 2 1 4512 20.73 + 4512 41 -18.560000 2.924000 25.801000 80 " " Y B 2 "TYR " " HB2" 1 0 2 1 4513 20.73 + 4513 41 -19.301000 0.755000 24.911000 80 " " Y B 2 "TYR " " HD1" 1 0 2 1 4514 20.73 + 4514 41 -17.433000 3.686000 22.348000 80 " " Y B 2 "TYR " " HD2" 1 0 2 1 4515 20.73 + 4515 41 -20.071000 -0.490000 22.923000 80 " " Y B 2 "TYR " " HE1" 1 0 2 1 4516 20.73 + 4516 41 -18.231000 2.445000 20.354000 80 " " Y B 2 "TYR " " HE2" 1 0 2 1 4517 20.73 + 4517 42 -20.134000 -0.585000 20.613000 80 " " Y B 2 "TYR " " HH " 1 0 2 1 4518 20.73 + 4518 25 -15.754000 4.893000 26.304000 81 " " L B 2 "LEU " " N " 7 0 2 1 4519 24.97 + 4519 3 -15.456000 5.956000 27.246000 81 " " L B 2 "LEU " " CA " 6 0 2 1 4520 24.97 + 4520 2 -15.935000 7.246000 26.595000 81 " " L B 2 "LEU " " C " 6 0 2 1 4521 24.97 + 4521 15 -15.357000 7.666000 25.592000 81 " " L B 2 "LEU " " O " 8 0 2 1 4522 13.07 + 4522 3 -13.952000 5.914000 27.599000 81 " " L B 2 "LEU " " CB " 6 0 2 1 4523 13.07 + 4523 3 -13.317000 7.083000 28.385000 81 " " L B 2 "LEU " " CG " 6 0 2 1 4524 13.07 + 4524 3 -12.984000 8.297000 27.507000 81 " " L B 2 "LEU " " CD1" 6 0 2 1 4525 13.07 + 4525 3 -14.095000 7.471000 29.650000 81 " " L B 2 "LEU " " CD2" 6 0 2 1 4526 13.07 + 4526 43 -15.742000 5.160000 25.327000 81 " " L B 2 "LEU " " H " 1 0 2 1 4527 24.97 + 4527 41 -16.036000 5.795000 28.157000 81 " " L B 2 "LEU " " HA " 1 0 2 1 4528 24.97 + 4528 41 -13.365000 5.737000 26.698000 81 " " L B 2 "LEU " " HB3" 1 0 2 1 4529 13.07 + 4529 41 -13.830000 5.028000 28.217000 81 " " L B 2 "LEU " " HB2" 1 0 2 1 4530 13.07 + 4530 41 -12.348000 6.711000 28.724000 81 " " L B 2 "LEU " " HG " 1 0 2 1 4531 13.07 + 4531 41 -12.060000 8.778000 27.828000 81 " " L B 2 "LEU " "HD11" 1 0 2 1 4532 13.07 + 4532 41 -12.861000 8.023000 26.460000 81 " " L B 2 "LEU " "HD12" 1 0 2 1 4533 13.07 + 4533 41 -13.783000 9.033000 27.562000 81 " " L B 2 "LEU " "HD13" 1 0 2 1 4534 13.07 + 4534 41 -13.923000 8.512000 29.924000 81 " " L B 2 "LEU " "HD21" 1 0 2 1 4535 13.07 + 4535 41 -15.171000 7.336000 29.558000 81 " " L B 2 "LEU " "HD22" 1 0 2 1 4536 13.07 + 4536 41 -13.762000 6.855000 30.482000 81 " " L B 2 "LEU " "HD23" 1 0 2 1 4537 13.07 + 4537 25 -17.003000 7.824000 27.164000 82 " " Q B 2 "GLN " " N " 7 0 2 1 4538 15.52 + 4538 3 -17.584000 9.062000 26.677000 82 " " Q B 2 "GLN " " CA " 6 0 2 1 4539 15.52 + 4539 2 -17.184000 10.210000 27.611000 82 " " Q B 2 "GLN " " C " 6 0 2 1 4540 15.52 + 4540 15 -17.697000 10.278000 28.725000 82 " " Q B 2 "GLN " " O " 8 0 2 1 4541 55.78 + 4541 3 -19.112000 8.914000 26.551000 82 " " Q B 2 "GLN " " CB " 6 0 2 1 4542 55.78 + 4542 3 -19.780000 10.123000 25.862000 82 " " Q B 2 "GLN " " CG " 6 0 2 1 4543 55.78 + 4543 2 -21.215000 10.327000 26.337000 82 " " Q B 2 "GLN " " CD " 6 0 2 1 4544 55.78 + 4544 15 -22.137000 9.695000 25.830000 82 " " Q B 2 "GLN " " OE1" 8 0 2 1 4545 55.78 + 4545 25 -21.402000 11.212000 27.319000 82 " " Q B 2 "GLN " " NE2" 7 0 2 1 4546 55.78 + 4546 43 -17.442000 7.405000 27.974000 82 " " Q B 2 "GLN " " H " 1 0 2 1 4547 15.52 + 4547 41 -17.208000 9.265000 25.685000 82 " " Q B 2 "GLN " " HA " 1 0 2 1 4548 15.52 + 4548 41 -19.531000 8.758000 27.545000 82 " " Q B 2 "GLN " " HB3" 1 0 2 1 4549 55.78 + 4549 41 -19.355000 8.012000 25.989000 82 " " Q B 2 "GLN " " HB2" 1 0 2 1 4550 55.78 + 4550 41 -19.763000 9.991000 24.780000 82 " " Q B 2 "GLN " " HG3" 1 0 2 1 4551 55.78 + 4551 41 -19.236000 11.047000 26.052000 82 " " Q B 2 "GLN " " HG2" 1 0 2 1 4552 55.78 + 4552 43 -22.331000 11.377000 27.678000 82 " " Q B 2 "GLN " "HE22" 1 0 2 1 4553 55.78 + 4553 43 -20.617000 11.697000 27.727000 82 " " Q B 2 "GLN " "HE21" 1 0 2 1 4554 55.78 + 4554 25 -16.327000 11.116000 27.112000 83 " " L B 2 "LEU " " N " 7 0 2 1 4555 18.67 + 4555 3 -16.074000 12.420000 27.730000 83 " " L B 2 "LEU " " CA " 6 0 2 1 4556 18.67 + 4556 2 -17.141000 13.426000 27.284000 83 " " L B 2 "LEU " " C " 6 0 2 1 4557 18.67 + 4557 15 -17.758000 13.234000 26.239000 83 " " L B 2 "LEU " " O " 8 0 2 1 4558 17.37 + 4558 3 -14.688000 12.953000 27.321000 83 " " L B 2 "LEU " " CB " 6 0 2 1 4559 17.37 + 4559 3 -13.498000 12.077000 27.741000 83 " " L B 2 "LEU " " CG " 6 0 2 1 4560 17.37 + 4560 3 -12.183000 12.726000 27.286000 83 " " L B 2 "LEU " " CD1" 6 0 2 1 4561 17.37 + 4561 3 -13.486000 11.752000 29.249000 83 " " L B 2 "LEU " " CD2" 6 0 2 1 4562 17.37 + 4562 43 -15.970000 10.993000 26.174000 83 " " L B 2 "LEU " " H " 1 0 2 1 4563 18.67 + 4563 41 -16.121000 12.325000 28.814000 83 " " L B 2 "LEU " " HA " 1 0 2 1 4564 18.67 + 4564 41 -14.548000 13.939000 27.765000 83 " " L B 2 "LEU " " HB3" 1 0 2 1 4565 17.37 + 4565 41 -14.660000 13.099000 26.240000 83 " " L B 2 "LEU " " HB2" 1 0 2 1 4566 17.37 + 4566 41 -13.580000 11.144000 27.189000 83 " " L B 2 "LEU " " HG " 1 0 2 1 4567 17.37 + 4567 41 -11.545000 11.994000 26.793000 83 " " L B 2 "LEU " "HD11" 1 0 2 1 4568 17.37 + 4568 41 -12.344000 13.536000 26.577000 83 " " L B 2 "LEU " "HD12" 1 0 2 1 4569 17.37 + 4569 41 -11.636000 13.153000 28.125000 83 " " L B 2 "LEU " "HD13" 1 0 2 1 4570 17.37 + 4570 41 -12.473000 11.661000 29.643000 83 " " L B 2 "LEU " "HD21" 1 0 2 1 4571 17.37 + 4571 41 -13.994000 12.518000 29.835000 83 " " L B 2 "LEU " "HD22" 1 0 2 1 4572 17.37 + 4572 41 -13.991000 10.806000 29.442000 83 " " L B 2 "LEU " "HD23" 1 0 2 1 4573 17.37 + 4573 25 -17.315000 14.496000 28.070000 84 " " S B 2 "SER " " N " 7 0 0 1 4574 6.53 + 4574 3 -18.323000 15.529000 27.838000 84 " " S B 2 "SER " " CA " 6 0 0 1 4575 6.53 + 4575 2 -17.895000 16.861000 28.469000 84 " " S B 2 "SER " " C " 6 0 0 1 4576 6.53 + 4576 15 -16.985000 16.878000 29.298000 84 " " S B 2 "SER " " O " 8 0 0 1 4577 8.5 + 4577 3 -19.693000 15.012000 28.331000 84 " " S B 2 "SER " " CB " 6 0 0 1 4578 8.5 + 4578 16 -19.695000 14.774000 29.724000 84 " " S B 2 "SER " " OG " 8 0 0 1 4579 8.5 + 4579 43 -16.763000 14.603000 28.910000 84 " " S B 2 "SER " " H " 1 0 0 1 4580 6.53 + 4580 41 -18.389000 15.712000 26.764000 84 " " S B 2 "SER " " HA " 1 0 0 1 4581 6.53 + 4581 41 -19.972000 14.093000 27.814000 84 " " S B 2 "SER " " HB3" 1 0 0 1 4582 8.5 + 4582 41 -20.474000 15.738000 28.105000 84 " " S B 2 "SER " " HB2" 1 0 0 1 4583 8.5 + 4583 42 -19.078000 14.062000 29.919000 84 " " S B 2 "SER " " HG " 1 0 0 1 4584 8.5 + 4584 25 -18.534000 17.963000 28.030000 85 " " S B 2 "SER " " N " 7 0 0 1 4585 5.99 + 4585 3 -18.245000 19.351000 28.428000 85 " " S B 2 "SER " " CA " 6 0 0 1 4586 5.99 + 4586 2 -16.769000 19.725000 28.166000 85 " " S B 2 "SER " " C " 6 0 0 1 4587 5.99 + 4587 15 -16.111000 20.274000 29.052000 85 " " S B 2 "SER " " O " 8 0 0 1 4588 78.47 + 4588 3 -18.658000 19.587000 29.904000 85 " " S B 2 "SER " " CB " 6 0 0 1 4589 78.47 + 4589 16 -20.051000 19.427000 30.066000 85 " " S B 2 "SER " " OG " 8 0 0 1 4590 78.47 + 4590 43 -19.265000 17.860000 27.340000 85 " " S B 2 "SER " " H " 1 0 0 1 4591 5.99 + 4591 41 -18.846000 20.001000 27.790000 85 " " S B 2 "SER " " HA " 1 0 0 1 4592 5.99 + 4592 41 -18.413000 20.603000 30.216000 85 " " S B 2 "SER " " HB3" 1 0 0 1 4593 78.47 + 4593 41 -18.138000 18.914000 30.587000 85 " " S B 2 "SER " " HB2" 1 0 0 1 4594 78.47 + 4594 42 -20.261000 18.493000 29.992000 85 " " S B 2 "SER " " HG " 1 0 0 1 4595 78.47 + 4595 25 -16.258000 19.318000 26.989000 86 " " L B 2 "LEU " " N " 7 0 0 1 4596 15.59 + 4596 3 -14.830000 19.263000 26.674000 86 " " L B 2 "LEU " " CA " 6 0 0 1 4597 15.59 + 4597 2 -14.122000 20.622000 26.742000 86 " " L B 2 "LEU " " C " 6 0 0 1 4598 15.59 + 4598 15 -14.610000 21.609000 26.195000 86 " " L B 2 "LEU " " O " 8 0 0 1 4599 8.96 + 4599 3 -14.616000 18.617000 25.288000 86 " " L B 2 "LEU " " CB " 6 0 0 1 4600 8.96 + 4600 3 -14.796000 17.082000 25.253000 86 " " L B 2 "LEU " " CG " 6 0 0 1 4601 8.96 + 4601 3 -14.704000 16.569000 23.803000 86 " " L B 2 "LEU " " CD1" 6 0 0 1 4602 8.96 + 4602 3 -13.797000 16.349000 26.159000 86 " " L B 2 "LEU " " CD2" 6 0 0 1 4603 8.96 + 4603 43 -16.868000 18.877000 26.315000 86 " " L B 2 "LEU " " H " 1 0 0 1 4604 15.59 + 4604 41 -14.381000 18.622000 27.432000 86 " " L B 2 "LEU " " HA " 1 0 0 1 4605 15.59 + 4605 41 -13.610000 18.835000 24.931000 86 " " L B 2 "LEU " " HB3" 1 0 0 1 4606 8.96 + 4606 41 -15.288000 19.091000 24.569000 86 " " L B 2 "LEU " " HB2" 1 0 0 1 4607 8.96 + 4607 41 -15.793000 16.844000 25.623000 86 " " L B 2 "LEU " " HG " 1 0 0 1 4608 8.96 + 4608 41 -13.816000 15.963000 23.623000 86 " " L B 2 "LEU " "HD11" 1 0 0 1 4609 8.96 + 4609 41 -15.573000 15.959000 23.555000 86 " " L B 2 "LEU " "HD12" 1 0 0 1 4610 8.96 + 4610 41 -14.671000 17.390000 23.088000 86 " " L B 2 "LEU " "HD13" 1 0 0 1 4611 8.96 + 4611 41 -13.507000 15.378000 25.759000 86 " " L B 2 "LEU " "HD21" 1 0 0 1 4612 8.96 + 4612 41 -12.889000 16.933000 26.278000 86 " " L B 2 "LEU " "HD22" 1 0 0 1 4613 8.96 + 4613 41 -14.218000 16.181000 27.150000 86 " " L B 2 "LEU " "HD23" 1 0 0 1 4614 8.96 + 4614 25 -12.955000 20.608000 27.390000 87 " " T B 2 "THR " " N " 7 0 0 1 4615 2.48 + 4615 3 -12.002000 21.710000 27.436000 87 " " T B 2 "THR " " CA " 6 0 0 1 4616 2.48 + 4616 2 -10.636000 21.175000 26.967000 87 " " T B 2 "THR " " C " 6 0 0 1 4617 2.48 + 4617 15 -10.455000 19.962000 26.836000 87 " " T B 2 "THR " " O " 8 0 0 1 4618 28.17 + 4618 3 -11.874000 22.278000 28.879000 87 " " T B 2 "THR " " CB " 6 0 0 1 4619 28.17 + 4619 16 -11.272000 21.363000 29.777000 87 " " T B 2 "THR " " OG1" 8 0 0 1 4620 28.17 + 4620 3 -13.209000 22.761000 29.470000 87 " " T B 2 "THR " " CG2" 6 0 0 1 4621 28.17 + 4621 43 -12.621000 19.734000 27.781000 87 " " T B 2 "THR " " H " 1 0 0 1 4622 2.48 + 4622 41 -12.299000 22.511000 26.756000 87 " " T B 2 "THR " " HA " 1 0 0 1 4623 2.48 + 4623 41 -11.212000 23.145000 28.842000 87 " " T B 2 "THR " " HB " 1 0 0 1 4624 28.17 + 4624 42 -11.863000 20.617000 29.901000 87 " " T B 2 "THR " " HG1" 1 0 0 1 4625 28.17 + 4625 41 -13.058000 23.234000 30.440000 87 " " T B 2 "THR " "HG21" 1 0 0 1 4626 28.17 + 4626 41 -13.683000 23.493000 28.816000 87 " " T B 2 "THR " "HG22" 1 0 0 1 4627 28.17 + 4627 41 -13.911000 21.938000 29.611000 87 " " T B 2 "THR " "HG23" 1 0 0 1 4628 28.17 + 4628 25 -9.687000 22.094000 26.723000 88 " " S B 2 "SER " " N " 7 0 0 1 4629 31.34 + 4629 3 -8.302000 21.800000 26.331000 88 " " S B 2 "SER " " CA " 6 0 0 1 4630 31.34 + 4630 2 -7.537000 20.864000 27.295000 88 " " S B 2 "SER " " C " 6 0 0 1 4631 31.34 + 4631 15 -6.612000 20.185000 26.857000 88 " " S B 2 "SER " " O " 8 0 0 1 4632 42.66 + 4632 3 -7.565000 23.136000 26.115000 88 " " S B 2 "SER " " CB " 6 0 0 1 4633 42.66 + 4633 16 -7.399000 23.848000 27.328000 88 " " S B 2 "SER " " OG " 8 0 0 1 4634 42.66 + 4634 43 -9.898000 23.073000 26.858000 88 " " S B 2 "SER " " H " 1 0 0 1 4635 31.34 + 4635 41 -8.351000 21.291000 25.367000 88 " " S B 2 "SER " " HA " 1 0 0 1 4636 31.34 + 4636 41 -8.104000 23.761000 25.402000 88 " " S B 2 "SER " " HB3" 1 0 0 1 4637 42.66 + 4637 41 -6.578000 22.954000 25.685000 88 " " S B 2 "SER " " HB2" 1 0 0 1 4638 42.66 + 4638 42 -6.905000 24.652000 27.147000 88 " " S B 2 "SER " " HG " 1 0 0 1 4639 42.66 + 4639 25 -7.975000 20.807000 28.564000 89 " " E B 2 "GLU " " N " 7 0 0 1 4640 19.98 + 4640 3 -7.473000 19.938000 29.630000 89 " " E B 2 "GLU " " CA " 6 0 0 1 4641 19.98 + 4641 2 -7.744000 18.429000 29.395000 89 " " E B 2 "GLU " " C " 6 0 0 1 4642 19.98 + 4642 15 -7.113000 17.593000 30.044000 89 " " E B 2 "GLU " " O " 8 0 0 1 4643 84.96 + 4643 3 -8.093000 20.462000 30.943000 89 " " E B 2 "GLU " " CB " 6 0 0 1 4644 84.96 + 4644 3 -7.421000 19.939000 32.223000 89 " " E B 2 "GLU " " CG " 6 0 0 1 4645 84.96 + 4645 2 -8.027000 20.479000 33.520000 89 " " E B 2 "GLU " " CD " 6 0 0 1 4646 84.96 + 4646 15 -8.868000 21.403000 33.453000 89 " " E B 2 "GLU " " OE1" 8 0 0 1 4647 84.96 + 4647 18 -7.632000 19.933000 34.573000 89 " " E B 2 "GLU " " OE2" 8 -1 0 1 4648 84.96 + 4648 43 -8.753000 21.396000 28.827000 89 " " E B 2 "GLU " " H " 1 0 0 1 4649 19.98 + 4649 41 -6.391000 20.077000 29.676000 89 " " E B 2 "GLU " " HA " 1 0 0 1 4650 19.98 + 4650 41 -9.151000 20.196000 30.970000 89 " " E B 2 "GLU " " HB3" 1 0 0 1 4651 84.96 + 4651 41 -8.059000 21.553000 30.948000 89 " " E B 2 "GLU " " HB2" 1 0 0 1 4652 84.96 + 4652 41 -6.357000 20.180000 32.213000 89 " " E B 2 "GLU " " HG3" 1 0 0 1 4653 84.96 + 4653 41 -7.508000 18.856000 32.267000 89 " " E B 2 "GLU " " HG2" 1 0 0 1 4654 84.96 + 4654 25 -8.650000 18.104000 28.458000 90 " " D B 2 "ASP " " N " 7 0 0 1 4655 31.33 + 4655 3 -8.986000 16.746000 28.012000 90 " " D B 2 "ASP " " CA " 6 0 0 1 4656 31.33 + 4656 2 -8.139000 16.260000 26.827000 90 " " D B 2 "ASP " " C " 6 0 0 1 4657 31.33 + 4657 15 -8.240000 15.079000 26.492000 90 " " D B 2 "ASP " " O " 8 0 0 1 4658 57.27 + 4658 3 -10.484000 16.604000 27.688000 90 " " D B 2 "ASP " " CB " 6 0 0 1 4659 57.27 + 4659 2 -11.370000 17.043000 28.850000 90 " " D B 2 "ASP " " CG " 6 0 0 1 4660 57.27 + 4660 15 -11.211000 16.433000 29.930000 90 " " D B 2 "ASP " " OD1" 8 0 0 1 4661 57.27 + 4661 18 -12.213000 17.942000 28.638000 90 " " D B 2 "ASP " " OD2" 8 -1 0 1 4662 57.27 + 4662 43 -9.143000 18.849000 27.981000 90 " " D B 2 "ASP " " H " 1 0 0 1 4663 31.33 + 4663 41 -8.768000 16.054000 28.826000 90 " " D B 2 "ASP " " HA " 1 0 0 1 4664 31.33 + 4664 41 -10.754000 15.584000 27.410000 90 " " D B 2 "ASP " " HB3" 1 0 0 1 4665 57.27 + 4665 41 -10.712000 17.221000 26.822000 90 " " D B 2 "ASP " " HB2" 1 0 0 1 4666 57.27 + 4666 25 -7.310000 17.142000 26.235000 91 " " T B 2 "THR " " N " 7 0 0 1 4667 19.93 + 4667 3 -6.335000 16.789000 25.201000 91 " " T B 2 "THR " " CA " 6 0 0 1 4668 19.93 + 4668 2 -5.234000 15.900000 25.807000 91 " " T B 2 "THR " " C " 6 0 0 1 4669 19.93 + 4669 15 -4.415000 16.385000 26.586000 91 " " T B 2 "THR " " O " 8 0 0 1 4670 40.85 + 4670 3 -5.672000 18.042000 24.568000 91 " " T B 2 "THR " " CB " 6 0 0 1 4671 40.85 + 4671 16 -6.671000 18.820000 23.940000 91 " " T B 2 "THR " " OG1" 8 0 0 1 4672 40.85 + 4672 3 -4.553000 17.759000 23.545000 91 " " T B 2 "THR " " CG2" 6 0 0 1 4673 40.85 + 4673 43 -7.266000 18.090000 26.581000 91 " " T B 2 "THR " " H " 1 0 0 1 4674 19.93 + 4674 41 -6.867000 16.245000 24.421000 91 " " T B 2 "THR " " HA " 1 0 0 1 4675 19.93 + 4675 41 -5.240000 18.661000 25.354000 91 " " T B 2 "THR " " HB " 1 0 0 1 4676 40.85 + 4676 42 -7.230000 19.197000 24.624000 91 " " T B 2 "THR " " HG1" 1 0 0 1 4677 40.85 + 4677 41 -4.278000 18.665000 23.004000 91 " " T B 2 "THR " "HG21" 1 0 0 1 4678 40.85 + 4678 41 -3.648000 17.395000 24.031000 91 " " T B 2 "THR " "HG22" 1 0 0 1 4679 40.85 + 4679 41 -4.847000 17.011000 22.812000 91 " " T B 2 "THR " "HG23" 1 0 0 1 4680 40.85 + 4680 25 -5.297000 14.603000 25.482000 92 " " A B 2 "ALA " " N " 7 0 2 1 4681 9.89 + 4681 3 -4.549000 13.541000 26.143000 92 " " A B 2 "ALA " " CA " 6 0 2 1 4682 9.89 + 4682 2 -4.670000 12.240000 25.345000 92 " " A B 2 "ALA " " C " 6 0 2 1 4683 9.89 + 4683 15 -5.529000 12.127000 24.468000 92 " " A B 2 "ALA " " O " 8 0 2 1 4684 16.16 + 4684 3 -5.101000 13.350000 27.569000 92 " " A B 2 "ALA " " CB " 6 0 2 1 4685 16.16 + 4685 43 -5.975000 14.293000 24.798000 92 " " A B 2 "ALA " " H " 1 0 2 1 4686 9.89 + 4686 41 -3.493000 13.813000 26.187000 92 " " A B 2 "ALA " " HA " 1 0 2 1 4687 9.89 + 4687 41 -4.709000 12.451000 28.040000 92 " " A B 2 "ALA " " HB1" 1 0 2 1 4688 16.16 + 4688 41 -4.842000 14.188000 28.212000 92 " " A B 2 "ALA " " HB2" 1 0 2 1 4689 16.16 + 4689 41 -6.188000 13.262000 27.564000 92 " " A B 2 "ALA " " HB3" 1 0 2 1 4690 16.16 + 4690 25 -3.815000 11.268000 25.694000 93 " " V B 2 "VAL " " N " 7 0 2 1 4691 2.48 + 4691 3 -3.838000 9.929000 25.123000 93 " " V B 2 "VAL " " CA " 6 0 2 1 4692 2.48 + 4692 2 -4.612000 8.989000 26.062000 93 " " V B 2 "VAL " " C " 6 0 2 1 4693 2.48 + 4693 15 -4.237000 8.839000 27.225000 93 " " V B 2 "VAL " " O " 8 0 2 1 4694 36.57 + 4694 3 -2.413000 9.365000 24.893000 93 " " V B 2 "VAL " " CB " 6 0 2 1 4695 36.57 + 4695 3 -2.428000 7.934000 24.328000 93 " " V B 2 "VAL " " CG1" 6 0 2 1 4696 36.57 + 4696 3 -1.616000 10.268000 23.935000 93 " " V B 2 "VAL " " CG2" 6 0 2 1 4697 36.57 + 4697 43 -3.144000 11.427000 26.436000 93 " " V B 2 "VAL " " H " 1 0 2 1 4698 2.48 + 4698 41 -4.326000 9.962000 24.153000 93 " " V B 2 "VAL " " HA " 1 0 2 1 4699 2.48 + 4699 41 -1.879000 9.343000 25.846000 93 " " V B 2 "VAL " " HB " 1 0 2 1 4700 36.57 + 4700 41 -1.420000 7.591000 24.093000 93 " " V B 2 "VAL " "HG11" 1 0 2 1 4701 36.57 + 4701 41 -2.853000 7.209000 25.023000 93 " " V B 2 "VAL " "HG12" 1 0 2 1 4702 36.57 + 4702 41 -3.015000 7.903000 23.410000 93 " " V B 2 "VAL " "HG13" 1 0 2 1 4703 36.57 + 4703 41 -0.618000 9.869000 23.755000 93 " " V B 2 "VAL " "HG21" 1 0 2 1 4704 36.57 + 4704 41 -2.114000 10.359000 22.969000 93 " " V B 2 "VAL " "HG22" 1 0 2 1 4705 36.57 + 4705 41 -1.490000 11.272000 24.339000 93 " " V B 2 "VAL " "HG23" 1 0 2 1 4706 36.57 + 4706 25 -5.672000 8.375000 25.521000 94 " " Y B 2 "TYR " " N " 7 0 2 1 4707 2.48 + 4707 3 -6.557000 7.463000 26.235000 94 " " Y B 2 "TYR " " CA " 6 0 2 1 4708 2.48 + 4708 2 -6.216000 6.039000 25.819000 94 " " Y B 2 "TYR " " C " 6 0 2 1 4709 2.48 + 4709 15 -6.323000 5.709000 24.640000 94 " " Y B 2 "TYR " " O " 8 0 2 1 4710 16.49 + 4710 3 -8.028000 7.802000 25.917000 94 " " Y B 2 "TYR " " CB " 6 0 2 1 4711 16.49 + 4711 2 -8.439000 9.149000 26.478000 94 " " Y B 2 "TYR " " CG " 6 0 2 1 4712 16.49 + 4712 2 -8.062000 10.328000 25.804000 94 " " Y B 2 "TYR " " CD1" 6 0 2 1 4713 16.49 + 4713 2 -9.121000 9.232000 27.710000 94 " " Y B 2 "TYR " " CD2" 6 0 2 1 4714 16.49 + 4714 2 -8.285000 11.580000 26.399000 94 " " Y B 2 "TYR " " CE1" 6 0 2 1 4715 16.49 + 4715 2 -9.369000 10.491000 28.291000 94 " " Y B 2 "TYR " " CE2" 6 0 2 1 4716 16.49 + 4716 2 -8.921000 11.663000 27.650000 94 " " Y B 2 "TYR " " CZ " 6 0 2 1 4717 16.49 + 4717 16 -9.092000 12.883000 28.235000 94 " " Y B 2 "TYR " " OH " 8 0 2 1 4718 16.49 + 4718 43 -5.899000 8.547000 24.550000 94 " " Y B 2 "TYR " " H " 1 0 2 1 4719 2.48 + 4719 41 -6.420000 7.567000 27.313000 94 " " Y B 2 "TYR " " HA " 1 0 2 1 4720 2.48 + 4720 41 -8.685000 7.040000 26.338000 94 " " Y B 2 "TYR " " HB3" 1 0 2 1 4721 16.49 + 4721 41 -8.200000 7.792000 24.840000 94 " " Y B 2 "TYR " " HB2" 1 0 2 1 4722 16.49 + 4722 41 -7.549000 10.276000 24.855000 94 " " Y B 2 "TYR " " HD1" 1 0 2 1 4723 16.49 + 4723 41 -9.420000 8.335000 28.231000 94 " " Y B 2 "TYR " " HD2" 1 0 2 1 4724 16.49 + 4724 41 -7.943000 12.476000 25.906000 94 " " Y B 2 "TYR " " HE1" 1 0 2 1 4725 16.49 + 4725 41 -9.871000 10.554000 29.244000 94 " " Y B 2 "TYR " " HE2" 1 0 2 1 4726 16.49 + 4726 42 -8.811000 13.606000 27.664000 94 " " Y B 2 "TYR " " HH " 1 0 2 1 4727 16.49 + 4727 25 -5.832000 5.229000 26.809000 95 " " Y B 2 "TYR " " N " 7 0 2 1 4728 2.48 + 4728 3 -5.651000 3.792000 26.683000 95 " " Y B 2 "TYR " " CA " 6 0 2 1 4729 2.48 + 4729 2 -6.867000 3.123000 27.320000 95 " " Y B 2 "TYR " " C " 6 0 2 1 4730 2.48 + 4730 15 -7.339000 3.591000 28.356000 95 " " Y B 2 "TYR " " O " 8 0 2 1 4731 14.05 + 4731 3 -4.385000 3.341000 27.444000 95 " " Y B 2 "TYR " " CB " 6 0 2 1 4732 14.05 + 4732 2 -3.126000 4.123000 27.126000 95 " " Y B 2 "TYR " " CG " 6 0 2 1 4733 14.05 + 4733 2 -2.787000 5.250000 27.905000 95 " " Y B 2 "TYR " " CD1" 6 0 2 1 4734 14.05 + 4734 2 -2.298000 3.739000 26.052000 95 " " Y B 2 "TYR " " CD2" 6 0 2 1 4735 14.05 + 4735 2 -1.642000 6.004000 27.597000 95 " " Y B 2 "TYR " " CE1" 6 0 2 1 4736 14.05 + 4736 2 -1.146000 4.490000 25.749000 95 " " Y B 2 "TYR " " CE2" 6 0 2 1 4737 14.05 + 4737 2 -0.822000 5.626000 26.517000 95 " " Y B 2 "TYR " " CZ " 6 0 2 1 4738 14.05 + 4738 16 0.283000 6.364000 26.210000 95 " " Y B 2 "TYR " " OH " 8 0 2 1 4739 14.05 + 4739 43 -5.764000 5.596000 27.751000 95 " " Y B 2 "TYR " " H " 1 0 2 1 4740 2.48 + 4740 41 -5.563000 3.494000 25.636000 95 " " Y B 2 "TYR " " HA " 1 0 2 1 4741 2.48 + 4741 41 -4.205000 2.285000 27.238000 95 " " Y B 2 "TYR " " HB3" 1 0 2 1 4742 14.05 + 4742 41 -4.545000 3.410000 28.521000 95 " " Y B 2 "TYR " " HB2" 1 0 2 1 4743 14.05 + 4743 41 -3.408000 5.547000 28.737000 95 " " Y B 2 "TYR " " HD1" 1 0 2 1 4744 14.05 + 4744 41 -2.551000 2.878000 25.450000 95 " " Y B 2 "TYR " " HD2" 1 0 2 1 4745 14.05 + 4745 41 -1.399000 6.870000 28.193000 95 " " Y B 2 "TYR " " HE1" 1 0 2 1 4746 14.05 + 4746 41 -0.518000 4.200000 24.920000 95 " " Y B 2 "TYR " " HE2" 1 0 2 1 4747 14.05 + 4747 42 0.419000 7.104000 26.809000 95 " " Y B 2 "TYR " " HH " 1 0 2 1 4748 14.05 + 4748 25 -7.293000 2.001000 26.736000 96 " " C B 2 "CYS " " N " 7 0 2 1 4749 9.24 + 4749 3 -8.111000 1.018000 27.430000 96 " " C B 2 "CYS " " CA " 6 0 2 1 4750 9.24 + 4750 2 -7.215000 -0.166000 27.800000 96 " " C B 2 "CYS " " C " 6 0 2 1 4751 9.24 + 4751 15 -6.264000 -0.463000 27.074000 96 " " C B 2 "CYS " " O " 8 0 2 1 4752 9.44 + 4752 3 -9.295000 0.595000 26.553000 96 " " C B 2 "CYS " " CB " 6 0 2 1 4753 9.44 + 4753 49 -8.892000 -0.296000 25.028000 96 " " C B 2 "CYS " " SG " 16 0 2 1 4754 9.44 + 4754 43 -6.880000 1.697000 25.864000 96 " " C B 2 "CYS " " H " 1 0 2 1 4755 9.24 + 4755 41 -8.508000 1.449000 28.345000 96 " " C B 2 "CYS " " HA " 1 0 2 1 4756 9.24 + 4756 41 -9.892000 1.467000 26.290000 96 " " C B 2 "CYS " " HB3" 1 0 2 1 4757 9.44 + 4757 41 -9.950000 -0.047000 27.144000 96 " " C B 2 "CYS " " HB2" 1 0 2 1 4758 9.44 + 4758 25 -7.546000 -0.826000 28.915000 97 " " A B 2 "ALA " " N " 7 0 2 1 4759 15.82 + 4759 3 -6.822000 -1.999000 29.387000 97 " " A B 2 "ALA " " CA " 6 0 2 1 4760 15.82 + 4760 2 -7.786000 -3.114000 29.799000 97 " " A B 2 "ALA " " C " 6 0 2 1 4761 15.82 + 4761 15 -8.997000 -2.904000 29.844000 97 " " A B 2 "ALA " " O " 8 0 2 1 4762 10.1 + 4762 3 -5.860000 -1.590000 30.516000 97 " " A B 2 "ALA " " CB " 6 0 2 1 4763 10.1 + 4763 43 -8.355000 -0.545000 29.453000 97 " " A B 2 "ALA " " H " 1 0 2 1 4764 15.82 + 4764 41 -6.241000 -2.407000 28.564000 97 " " A B 2 "ALA " " HA " 1 0 2 1 4765 15.82 + 4765 41 -5.275000 -2.443000 30.857000 97 " " A B 2 "ALA " " HB1" 1 0 2 1 4766 10.1 + 4766 41 -5.152000 -0.835000 30.172000 97 " " A B 2 "ALA " " HB2" 1 0 2 1 4767 10.1 + 4767 41 -6.387000 -1.181000 31.376000 97 " " A B 2 "ALA " " HB3" 1 0 2 1 4768 10.1 + 4768 25 -7.208000 -4.292000 30.062000 98 " " R B 2 "ARG " " N " 7 0 2 1 4769 2.48 + 4769 3 -7.904000 -5.488000 30.510000 98 " " R B 2 "ARG " " CA " 6 0 2 1 4770 2.48 + 4770 2 -7.249000 -5.948000 31.810000 98 " " R B 2 "ARG " " C " 6 0 2 1 4771 2.48 + 4771 15 -6.060000 -6.248000 31.794000 98 " " R B 2 "ARG " " O " 8 0 2 1 4772 2.48 + 4772 3 -7.782000 -6.582000 29.431000 98 " " R B 2 "ARG " " CB " 6 0 2 1 4773 2.48 + 4773 3 -8.667000 -7.802000 29.726000 98 " " R B 2 "ARG " " CG " 6 0 2 1 4774 2.48 + 4774 3 -8.399000 -9.007000 28.821000 98 " " R B 2 "ARG " " CD " 6 0 2 1 4775 2.48 + 4775 25 -7.248000 -9.813000 29.248000 98 " " R B 2 "ARG " " NE " 7 0 2 1 4776 2.48 + 4776 2 -6.995000 -11.049000 28.783000 98 " " R B 2 "ARG " " CZ " 6 0 2 1 4777 2.48 + 4777 25 -7.746000 -11.594000 27.815000 98 " " R B 2 "ARG " " NH1" 7 0 2 1 4778 2.48 + 4778 31 -5.988000 -11.763000 29.294000 98 " " R B 2 "ARG " " NH2" 7 1 2 1 4779 2.48 + 4779 43 -6.205000 -4.382000 29.960000 98 " " R B 2 "ARG " " H " 1 0 2 1 4780 2.48 + 4780 41 -8.962000 -5.283000 30.693000 98 " " R B 2 "ARG " " HA " 1 0 2 1 4781 2.48 + 4781 41 -6.741000 -6.893000 29.334000 98 " " R B 2 "ARG " " HB3" 1 0 2 1 4782 2.48 + 4782 41 -8.070000 -6.175000 28.460000 98 " " R B 2 "ARG " " HB2" 1 0 2 1 4783 2.48 + 4783 41 -9.726000 -7.540000 29.723000 98 " " R B 2 "ARG " " HG3" 1 0 2 1 4784 2.48 + 4784 41 -8.450000 -8.131000 30.742000 98 " " R B 2 "ARG " " HG2" 1 0 2 1 4785 2.48 + 4785 41 -8.143000 -8.666000 27.817000 98 " " R B 2 "ARG " " HD3" 1 0 2 1 4786 2.48 + 4786 41 -9.298000 -9.611000 28.742000 98 " " R B 2 "ARG " " HD2" 1 0 2 1 4787 2.48 + 4787 43 -6.605000 -9.400000 29.919000 98 " " R B 2 "ARG " " HE " 1 0 2 1 4788 2.48 + 4788 43 -7.561000 -12.530000 27.486000 98 " " R B 2 "ARG " "HH12" 1 0 2 1 4789 2.48 + 4789 43 -8.510000 -11.067000 27.416000 98 " " R B 2 "ARG " "HH11" 1 0 2 1 4790 2.48 + 4790 44 -5.793000 -12.695000 28.961000 98 " " R B 2 "ARG " "HH22" 1 0 2 1 4791 2.48 + 4791 44 -5.413000 -11.377000 30.044000 98 " " R B 2 "ARG " "HH21" 1 0 2 1 4792 2.48 + 4792 25 -8.037000 -6.022000 32.888000 99 " " D B 2 "ASP " " N " 7 0 2 1 4793 13.98 + 4793 3 -7.590000 -6.440000 34.212000 99 " " D B 2 "ASP " " CA " 6 0 2 1 4794 13.98 + 4794 2 -8.061000 -7.878000 34.463000 99 " " D B 2 "ASP " " C " 6 0 2 1 4795 13.98 + 4795 15 -9.267000 -8.134000 34.472000 99 " " D B 2 "ASP " " O " 8 0 2 1 4796 20.26 + 4796 3 -8.107000 -5.441000 35.263000 99 " " D B 2 "ASP " " CB " 6 0 2 1 4797 20.26 + 4797 2 -7.742000 -5.693000 36.726000 99 " " D B 2 "ASP " " CG " 6 0 2 1 4798 20.26 + 4798 15 -6.787000 -6.459000 36.977000 99 " " D B 2 "ASP " " OD1" 8 0 2 1 4799 20.26 + 4799 18 -8.387000 -5.032000 37.569000 99 " " D B 2 "ASP " " OD2" 8 -1 2 1 4800 20.26 + 4800 43 -9.014000 -5.770000 32.815000 99 " " D B 2 "ASP " " H " 1 0 2 1 4801 13.98 + 4801 41 -6.501000 -6.415000 34.259000 99 " " D B 2 "ASP " " HA " 1 0 2 1 4802 13.98 + 4802 41 -9.190000 -5.391000 35.185000 99 " " D B 2 "ASP " " HB3" 1 0 2 1 4803 20.26 + 4803 41 -7.699000 -4.465000 35.007000 99 " " D B 2 "ASP " " HB2" 1 0 2 1 4804 20.26 + 4804 25 -7.080000 -8.767000 34.691000 100 " " N B 2 "ASN " " N " 7 0 0 1 4805 22.96 + 4805 3 -7.265000 -10.174000 35.062000 100 " " N B 2 "ASN " " CA " 6 0 0 1 4806 22.96 + 4806 2 -7.481000 -10.394000 36.579000 100 " " N B 2 "ASN " " C " 6 0 0 1 4807 22.96 + 4807 15 -7.540000 -11.548000 36.998000 100 " " N B 2 "ASN " " O " 8 0 0 1 4808 19.22 + 4808 3 -6.095000 -11.014000 34.482000 100 " " N B 2 "ASN " " CB " 6 0 0 1 4809 19.22 + 4809 2 -4.687000 -10.731000 35.040000 100 " " N B 2 "ASN " " CG " 6 0 0 1 4810 19.22 + 4810 15 -4.514000 -10.265000 36.162000 100 " " N B 2 "ASN " " OD1" 8 0 0 1 4811 19.22 + 4811 25 -3.656000 -11.041000 34.255000 100 " " N B 2 "ASN " " ND2" 7 0 0 1 4812 19.22 + 4812 43 -6.121000 -8.444000 34.674000 100 " " N B 2 "ASN " " H " 1 0 0 1 4813 22.96 + 4813 41 -8.179000 -10.538000 34.591000 100 " " N B 2 "ASN " " HA " 1 0 0 1 4814 22.96 + 4814 41 -6.073000 -10.868000 33.403000 100 " " N B 2 "ASN " " HB3" 1 0 0 1 4815 19.22 + 4815 41 -6.298000 -12.076000 34.631000 100 " " N B 2 "ASN " " HB2" 1 0 0 1 4816 19.22 + 4816 43 -2.710000 -10.885000 34.572000 100 " " N B 2 "ASN " "HD22" 1 0 0 1 4817 19.22 + 4817 43 -3.814000 -11.375000 33.312000 100 " " N B 2 "ASN " "HD21" 1 0 0 1 4818 19.22 + 4818 25 -7.570000 -9.291000 37.345000 101 " " S B 2 "SER " " N " 7 0 0 1 4819 7.28 + 4819 3 -7.665000 -9.128000 38.803000 101 " " S B 2 "SER " " CA " 6 0 0 1 4820 7.28 + 4820 2 -6.308000 -8.820000 39.452000 101 " " S B 2 "SER " " C " 6 0 0 1 4821 7.28 + 4821 15 -6.263000 -7.987000 40.357000 101 " " S B 2 "SER " " O " 8 0 0 1 4822 18.27 + 4822 3 -8.392000 -10.271000 39.548000 101 " " S B 2 "SER " " CB " 6 0 0 1 4823 18.27 + 4823 16 -9.746000 -10.340000 39.158000 101 " " S B 2 "SER " " OG " 8 0 0 1 4824 18.27 + 4824 43 -7.478000 -8.403000 36.867000 101 " " S B 2 "SER " " H " 1 0 0 1 4825 7.28 + 4825 41 -8.264000 -8.226000 38.939000 101 " " S B 2 "SER " " HA " 1 0 0 1 4826 7.28 + 4826 41 -8.382000 -10.075000 40.621000 101 " " S B 2 "SER " " HB3" 1 0 0 1 4827 18.27 + 4827 41 -7.904000 -11.237000 39.420000 101 " " S B 2 "SER " " HB2" 1 0 0 1 4828 18.27 + 4828 42 -9.780000 -10.643000 38.247000 101 " " S B 2 "SER " " HG " 1 0 0 1 4829 18.27 + 4829 25 -5.232000 -9.479000 38.992000 102 " " Y B 2 "TYR " " N " 7 0 0 1 4830 7.93 + 4830 3 -3.879000 -9.282000 39.513000 102 " " Y B 2 "TYR " " CA " 6 0 0 1 4831 7.93 + 4831 2 -3.108000 -8.146000 38.828000 102 " " Y B 2 "TYR " " C " 6 0 0 1 4832 7.93 + 4832 15 -2.258000 -7.555000 39.493000 102 " " Y B 2 "TYR " " O " 8 0 0 1 4833 9.63 + 4833 3 -3.100000 -10.610000 39.460000 102 " " Y B 2 "TYR " " CB " 6 0 0 1 4834 9.63 + 4834 2 -3.361000 -11.510000 40.653000 102 " " Y B 2 "TYR " " CG " 6 0 0 1 4835 9.63 + 4835 2 -2.926000 -11.110000 41.935000 102 " " Y B 2 "TYR " " CD1" 6 0 0 1 4836 9.63 + 4836 2 -4.044000 -12.733000 40.497000 102 " " Y B 2 "TYR " " CD2" 6 0 0 1 4837 9.63 + 4837 2 -3.179000 -11.922000 43.056000 102 " " Y B 2 "TYR " " CE1" 6 0 0 1 4838 9.63 + 4838 2 -4.293000 -13.548000 41.619000 102 " " Y B 2 "TYR " " CE2" 6 0 0 1 4839 9.63 + 4839 2 -3.864000 -13.141000 42.899000 102 " " Y B 2 "TYR " " CZ " 6 0 0 1 4840 9.63 + 4840 16 -4.114000 -13.925000 43.987000 102 " " Y B 2 "TYR " " OH " 8 0 0 1 4841 9.63 + 4841 43 -5.330000 -10.128000 38.222000 102 " " Y B 2 "TYR " " H " 1 0 0 1 4842 7.93 + 4842 41 -3.958000 -8.989000 40.561000 102 " " Y B 2 "TYR " " HA " 1 0 0 1 4843 7.93 + 4843 41 -2.031000 -10.411000 39.474000 102 " " Y B 2 "TYR " " HB3" 1 0 0 1 4844 9.63 + 4844 41 -3.282000 -11.137000 38.522000 102 " " Y B 2 "TYR " " HB2" 1 0 0 1 4845 9.63 + 4845 41 -2.407000 -10.172000 42.062000 102 " " Y B 2 "TYR " " HD1" 1 0 0 1 4846 9.63 + 4846 41 -4.383000 -13.047000 39.520000 102 " " Y B 2 "TYR " " HD2" 1 0 0 1 4847 9.63 + 4847 41 -2.846000 -11.608000 44.035000 102 " " Y B 2 "TYR " " HE1" 1 0 0 1 4848 9.63 + 4848 41 -4.820000 -14.483000 41.493000 102 " " Y B 2 "TYR " " HE2" 1 0 0 1 4849 9.63 + 4849 42 -4.582000 -14.734000 43.769000 102 " " Y B 2 "TYR " " HH " 1 0 0 1 4850 9.63 + 4850 25 -3.407000 -7.845000 37.553000 103 " " Y B 2 "TYR " " N " 7 0 0 1 4851 2.48 + 4851 3 -2.777000 -6.762000 36.797000 103 " " Y B 2 "TYR " " CA " 6 0 0 1 4852 2.48 + 4852 2 -3.477000 -6.521000 35.455000 103 " " Y B 2 "TYR " " C " 6 0 0 1 4853 2.48 + 4853 15 -4.166000 -7.403000 34.940000 103 " " Y B 2 "TYR " " O " 8 0 0 1 4854 7.87 + 4854 3 -1.257000 -7.011000 36.596000 103 " " Y B 2 "TYR " " CB " 6 0 0 1 4855 7.87 + 4855 2 -0.856000 -8.225000 35.772000 103 " " Y B 2 "TYR " " CG " 6 0 0 1 4856 7.87 + 4856 2 -0.747000 -9.498000 36.369000 103 " " Y B 2 "TYR " " CD1" 6 0 0 1 4857 7.87 + 4857 2 -0.547000 -8.075000 34.408000 103 " " Y B 2 "TYR " " CD2" 6 0 0 1 4858 7.87 + 4858 2 -0.313000 -10.604000 35.612000 103 " " Y B 2 "TYR " " CE1" 6 0 0 1 4859 7.87 + 4859 2 -0.103000 -9.178000 33.653000 103 " " Y B 2 "TYR " " CE2" 6 0 0 1 4860 7.87 + 4860 2 0.016000 -10.442000 34.253000 103 " " Y B 2 "TYR " " CZ " 6 0 0 1 4861 7.87 + 4861 16 0.452000 -11.503000 33.514000 103 " " Y B 2 "TYR " " OH " 8 0 0 1 4862 7.87 + 4862 43 -4.111000 -8.378000 37.059000 103 " " Y B 2 "TYR " " H " 1 0 0 1 4863 2.48 + 4863 41 -2.922000 -5.851000 37.378000 103 " " Y B 2 "TYR " " HA " 1 0 0 1 4864 2.48 + 4864 41 -0.749000 -7.071000 37.554000 103 " " Y B 2 "TYR " " HB3" 1 0 0 1 4865 7.87 + 4865 41 -0.814000 -6.135000 36.124000 103 " " Y B 2 "TYR " " HB2" 1 0 0 1 4866 7.87 + 4866 41 -0.981000 -9.628000 37.414000 103 " " Y B 2 "TYR " " HD1" 1 0 0 1 4867 7.87 + 4867 41 -0.634000 -7.105000 33.944000 103 " " Y B 2 "TYR " " HD2" 1 0 0 1 4868 7.87 + 4868 41 -0.223000 -11.573000 36.081000 103 " " Y B 2 "TYR " " HE1" 1 0 0 1 4869 7.87 + 4869 41 0.143000 -9.061000 32.609000 103 " " Y B 2 "TYR " " HE2" 1 0 0 1 4870 7.87 + 4870 42 0.709000 -11.266000 32.614000 103 " " Y B 2 "TYR " " HH " 1 0 0 1 4871 7.87 + 4871 25 -3.230000 -5.321000 34.902000 104 " " F B 2 "PHE " " N " 7 0 2 1 4872 23.04 + 4872 3 -3.637000 -4.907000 33.560000 104 " " F B 2 "PHE " " CA " 6 0 2 1 4873 23.04 + 4873 2 -2.732000 -5.609000 32.527000 104 " " F B 2 "PHE " " C " 6 0 2 1 4874 23.04 + 4874 15 -1.628000 -5.123000 32.271000 104 " " F B 2 "PHE " " O " 8 0 2 1 4875 22.92 + 4875 3 -3.571000 -3.364000 33.416000 104 " " F B 2 "PHE " " CB " 6 0 2 1 4876 22.92 + 4876 2 -4.517000 -2.488000 34.235000 104 " " F B 2 "PHE " " CG " 6 0 2 1 4877 22.92 + 4877 2 -5.259000 -2.968000 35.341000 104 " " F B 2 "PHE " " CD1" 6 0 2 1 4878 22.92 + 4878 2 -4.564000 -1.107000 33.947000 104 " " F B 2 "PHE " " CD2" 6 0 2 1 4879 22.92 + 4879 2 -6.016000 -2.093000 36.108000 104 " " F B 2 "PHE " " CE1" 6 0 2 1 4880 22.92 + 4880 2 -5.325000 -0.247000 34.727000 104 " " F B 2 "PHE " " CE2" 6 0 2 1 4881 22.92 + 4881 2 -6.043000 -0.738000 35.807000 104 " " F B 2 "PHE " " CZ " 6 0 2 1 4882 22.92 + 4882 43 -2.680000 -4.649000 35.418000 104 " " F B 2 "PHE " " H " 1 0 2 1 4883 23.04 + 4883 41 -4.669000 -5.204000 33.416000 104 " " F B 2 "PHE " " HA " 1 0 2 1 4884 23.04 + 4884 41 -3.730000 -3.108000 32.369000 104 " " F B 2 "PHE " " HB3" 1 0 2 1 4885 22.92 + 4885 41 -2.562000 -3.016000 33.626000 104 " " F B 2 "PHE " " HB2" 1 0 2 1 4886 22.92 + 4886 41 -5.262000 -4.012000 35.613000 104 " " F B 2 "PHE " " HD1" 1 0 2 1 4887 22.92 + 4887 41 -4.003000 -0.709000 33.116000 104 " " F B 2 "PHE " " HD2" 1 0 2 1 4888 22.92 + 4888 41 -6.584000 -2.470000 36.946000 104 " " F B 2 "PHE " " HE1" 1 0 2 1 4889 22.92 + 4889 41 -5.355000 0.808000 34.496000 104 " " F B 2 "PHE " " HE2" 1 0 2 1 4890 22.92 + 4890 41 -6.631000 -0.063000 36.409000 104 " " F B 2 "PHE " " HZ " 1 0 2 1 4891 22.92 + 4891 25 -3.176000 -6.775000 32.023000 105 " " D B 2 "ASP " " N " 7 0 2 1 4892 2.48 + 4892 3 -2.362000 -7.700000 31.220000 105 " " D B 2 "ASP " " CA " 6 0 2 1 4893 2.48 + 4893 2 -2.361000 -7.398000 29.713000 105 " " D B 2 "ASP " " C " 6 0 2 1 4894 2.48 + 4894 15 -1.495000 -7.917000 29.011000 105 " " D B 2 "ASP " " O " 8 0 2 1 4895 2.48 + 4895 3 -2.705000 -9.193000 31.456000 105 " " D B 2 "ASP " " CB " 6 0 2 1 4896 2.48 + 4896 2 -4.145000 -9.657000 31.205000 105 " " D B 2 "ASP " " CG " 6 0 2 1 4897 2.48 + 4897 15 -5.013000 -8.834000 30.844000 105 " " D B 2 "ASP " " OD1" 8 0 2 1 4898 2.48 + 4898 18 -4.356000 -10.878000 31.367000 105 " " D B 2 "ASP " " OD2" 8 -1 2 1 4899 2.48 + 4899 43 -4.106000 -7.100000 32.257000 105 " " D B 2 "ASP " " H " 1 0 2 1 4900 2.48 + 4900 41 -1.325000 -7.576000 31.533000 105 " " D B 2 "ASP " " HA " 1 0 2 1 4901 2.48 + 4901 41 -2.495000 -9.407000 32.501000 105 " " D B 2 "ASP " " HB3" 1 0 2 1 4902 2.48 + 4902 41 -2.036000 -9.815000 30.859000 105 " " D B 2 "ASP " " HB2" 1 0 2 1 4903 2.48 + 4903 25 -3.316000 -6.585000 29.242000 106 " " Y B 2 "TYR " " N " 7 0 2 1 4904 2.48 + 4904 3 -3.396000 -6.136000 27.858000 106 " " Y B 2 "TYR " " CA " 6 0 2 1 4905 2.48 + 4905 2 -3.807000 -4.676000 27.838000 106 " " Y B 2 "TYR " " C " 6 0 2 1 4906 2.48 + 4906 15 -4.674000 -4.273000 28.608000 106 " " Y B 2 "TYR " " O " 8 0 2 1 4907 28.85 + 4907 3 -4.383000 -6.993000 27.048000 106 " " Y B 2 "TYR " " CB " 6 0 2 1 4908 28.85 + 4908 2 -3.819000 -8.337000 26.654000 106 " " Y B 2 "TYR " " CG " 6 0 2 1 4909 28.85 + 4909 2 -2.992000 -8.442000 25.517000 106 " " Y B 2 "TYR " " CD1" 6 0 2 1 4910 28.85 + 4910 2 -4.087000 -9.476000 27.437000 106 " " Y B 2 "TYR " " CD2" 6 0 2 1 4911 28.85 + 4911 2 -2.448000 -9.689000 25.157000 106 " " Y B 2 "TYR " " CE1" 6 0 2 1 4912 28.85 + 4912 2 -3.524000 -10.717000 27.090000 106 " " Y B 2 "TYR " " CE2" 6 0 2 1 4913 28.85 + 4913 2 -2.714000 -10.826000 25.944000 106 " " Y B 2 "TYR " " CZ " 6 0 2 1 4914 28.85 + 4914 16 -2.190000 -12.034000 25.590000 106 " " Y B 2 "TYR " " OH " 8 0 2 1 4915 28.85 + 4915 43 -4.009000 -6.213000 29.876000 106 " " Y B 2 "TYR " " H " 1 0 2 1 4916 2.48 + 4916 41 -2.408000 -6.206000 27.396000 106 " " Y B 2 "TYR " " HA " 1 0 2 1 4917 2.48 + 4917 41 -4.626000 -6.482000 26.116000 106 " " Y B 2 "TYR " " HB3" 1 0 2 1 4918 28.85 + 4918 41 -5.329000 -7.117000 27.574000 106 " " Y B 2 "TYR " " HB2" 1 0 2 1 4919 28.85 + 4919 41 -2.777000 -7.571000 24.917000 106 " " Y B 2 "TYR " " HD1" 1 0 2 1 4920 28.85 + 4920 41 -4.709000 -9.393000 28.313000 106 " " Y B 2 "TYR " " HD2" 1 0 2 1 4921 28.85 + 4921 41 -1.825000 -9.770000 24.278000 106 " " Y B 2 "TYR " " HE1" 1 0 2 1 4922 28.85 + 4922 41 -3.720000 -11.585000 27.700000 106 " " Y B 2 "TYR " " HE2" 1 0 2 1 4923 28.85 + 4923 42 -2.393000 -12.733000 26.216000 106 " " Y B 2 "TYR " " HH " 1 0 2 1 4924 28.85 + 4924 25 -3.165000 -3.935000 26.933000 107 " " W B 2 "TRP " " N " 7 0 2 1 4925 2.48 + 4925 3 -3.405000 -2.527000 26.684000 107 " " W B 2 "TRP " " CA " 6 0 2 1 4926 2.48 + 4926 2 -3.647000 -2.372000 25.186000 107 " " W B 2 "TRP " " C " 6 0 2 1 4927 2.48 + 4927 15 -2.890000 -2.924000 24.385000 107 " " W B 2 "TRP " " O " 8 0 2 1 4928 2.48 + 4928 3 -2.174000 -1.705000 27.117000 107 " " W B 2 "TRP " " CB " 6 0 2 1 4929 2.48 + 4929 2 -1.828000 -1.727000 28.578000 107 " " W B 2 "TRP " " CG " 6 0 2 1 4930 2.48 + 4930 2 -1.308000 -2.777000 29.254000 107 " " W B 2 "TRP " " CD1" 6 0 2 1 4931 2.48 + 4931 2 -1.994000 -0.664000 29.565000 107 " " W B 2 "TRP " " CD2" 6 0 2 1 4932 2.48 + 4932 25 -1.149000 -2.445000 30.582000 107 " " W B 2 "TRP " " NE1" 7 0 2 1 4933 2.48 + 4933 2 -1.537000 -1.144000 30.829000 107 " " W B 2 "TRP " " CE2" 6 0 2 1 4934 2.48 + 4934 2 -2.479000 0.664000 29.520000 107 " " W B 2 "TRP " " CE3" 6 0 2 1 4935 2.48 + 4935 2 -1.547000 -0.341000 31.984000 107 " " W B 2 "TRP " " CZ2" 6 0 2 1 4936 2.48 + 4936 2 -2.487000 1.481000 30.669000 107 " " W B 2 "TRP " " CZ3" 6 0 2 1 4937 2.48 + 4937 2 -2.018000 0.982000 31.899000 107 " " W B 2 "TRP " " CH2" 6 0 2 1 4938 2.48 + 4938 43 -2.476000 -4.366000 26.335000 107 " " W B 2 "TRP " " H " 1 0 2 1 4939 2.48 + 4939 41 -4.279000 -2.174000 27.230000 107 " " W B 2 "TRP " " HA " 1 0 2 1 4940 2.48 + 4940 41 -2.331000 -0.662000 26.840000 107 " " W B 2 "TRP " " HB3" 1 0 2 1 4941 2.48 + 4941 41 -1.291000 -2.034000 26.566000 107 " " W B 2 "TRP " " HB2" 1 0 2 1 4942 2.48 + 4942 41 -1.065000 -3.733000 28.813000 107 " " W B 2 "TRP " " HD1" 1 0 2 1 4943 2.48 + 4943 43 -0.790000 -3.100000 31.263000 107 " " W B 2 "TRP " " HE1" 1 0 2 1 4944 2.48 + 4944 41 -2.830000 1.064000 28.582000 107 " " W B 2 "TRP " " HE3" 1 0 2 1 4945 2.48 + 4945 41 -1.204000 -0.731000 32.929000 107 " " W B 2 "TRP " " HZ2" 1 0 2 1 4946 2.48 + 4946 41 -2.851000 2.496000 30.603000 107 " " W B 2 "TRP " " HZ3" 1 0 2 1 4947 2.48 + 4947 41 -2.027000 1.610000 32.776000 107 " " W B 2 "TRP " " HH2" 1 0 2 1 4948 2.48 + 4948 25 -4.655000 -1.561000 24.839000 108 " " G B 2 "GLY " " N " 7 0 0 1 4949 2.48 + 4949 3 -4.812000 -1.055000 23.484000 108 " " G B 2 "GLY " " CA " 6 0 0 1 4950 2.48 + 4950 2 -3.762000 0.035000 23.244000 108 " " G B 2 "GLY " " C " 6 0 0 1 4951 2.48 + 4951 15 -3.246000 0.643000 24.187000 108 " " G B 2 "GLY " " O " 8 0 0 1 4952 6.23 + 4952 43 -5.237000 -1.147000 25.557000 108 " " G B 2 "GLY " " H " 1 0 0 1 4953 2.48 + 4953 41 -5.814000 -0.644000 23.358000 108 " " G B 2 "GLY " " HA3" 1 0 0 1 4954 2.48 + 4954 41 -4.687000 -1.858000 22.758000 108 " " G B 2 "GLY " " HA2" 1 0 0 1 4955 2.48 + 4955 25 -3.475000 0.305000 21.961000 109 " " Q B 2 "GLN " " N " 7 0 0 1 4956 6.28 + 4956 3 -2.705000 1.474000 21.533000 109 " " Q B 2 "GLN " " CA " 6 0 0 1 4957 6.28 + 4957 2 -3.517000 2.746000 21.836000 109 " " Q B 2 "GLN " " C " 6 0 0 1 4958 6.28 + 4958 15 -4.745000 2.703000 21.803000 109 " " Q B 2 "GLN " " O " 8 0 0 1 4959 76.5 + 4959 3 -2.319000 1.337000 20.036000 109 " " Q B 2 "GLN " " CB " 6 0 0 1 4960 76.5 + 4960 3 -3.321000 1.817000 18.953000 109 " " Q B 2 "GLN " " CG " 6 0 0 1 4961 76.5 + 4961 2 -4.546000 0.926000 18.721000 109 " " Q B 2 "GLN " " CD " 6 0 0 1 4962 76.5 + 4962 15 -4.797000 -0.040000 19.436000 109 " " Q B 2 "GLN " " OE1" 8 0 0 1 4963 76.5 + 4963 25 -5.315000 1.252000 17.682000 109 " " Q B 2 "GLN " " NE2" 7 0 0 1 4964 76.5 + 4964 43 -3.939000 -0.211000 21.224000 109 " " Q B 2 "GLN " " H " 1 0 0 1 4965 6.28 + 4965 41 -1.785000 1.497000 22.121000 109 " " Q B 2 "GLN " " HA " 1 0 0 1 4966 6.28 + 4966 41 -2.016000 0.310000 19.827000 109 " " Q B 2 "GLN " " HB3" 1 0 0 1 4967 76.5 + 4967 41 -1.411000 1.924000 19.894000 109 " " Q B 2 "GLN " " HB2" 1 0 0 1 4968 76.5 + 4968 41 -2.783000 1.857000 18.005000 109 " " Q B 2 "GLN " " HG3" 1 0 0 1 4969 76.5 + 4969 41 -3.649000 2.840000 19.137000 109 " " Q B 2 "GLN " " HG2" 1 0 0 1 4970 76.5 + 4970 43 -6.113000 0.687000 17.435000 109 " " Q B 2 "GLN " "HE22" 1 0 0 1 4971 76.5 + 4971 43 -5.093000 2.056000 17.114000 109 " " Q B 2 "GLN " "HE21" 1 0 0 1 4972 76.5 + 4972 25 -2.822000 3.849000 22.132000 110 " " G B 2 "GLY " " N " 7 0 0 1 4973 17.06 + 4973 3 -3.461000 5.085000 22.571000 110 " " G B 2 "GLY " " CA " 6 0 0 1 4974 17.06 + 4974 2 -4.317000 5.734000 21.468000 110 " " G B 2 "GLY " " C " 6 0 0 1 4975 17.06 + 4975 15 -3.902000 5.785000 20.310000 110 " " G B 2 "GLY " " O " 8 0 0 1 4976 64.42 + 4976 43 -1.814000 3.829000 22.115000 110 " " G B 2 "GLY " " H " 1 0 0 1 4977 17.06 + 4977 41 -2.658000 5.766000 22.840000 110 " " G B 2 "GLY " " HA3" 1 0 0 1 4978 17.06 + 4978 41 -4.048000 4.903000 23.473000 110 " " G B 2 "GLY " " HA2" 1 0 0 1 4979 17.06 + 4979 25 -5.483000 6.280000 21.858000 111 " " T B 2 "THR " " N " 7 0 2 1 4980 2.48 + 4980 3 -6.235000 7.252000 21.062000 111 " " T B 2 "THR " " CA " 6 0 2 1 4981 2.48 + 4981 2 -5.774000 8.646000 21.488000 111 " " T B 2 "THR " " C " 6 0 2 1 4982 2.48 + 4982 15 -5.960000 9.003000 22.651000 111 " " T B 2 "THR " " O " 8 0 2 1 4983 2.48 + 4983 3 -7.766000 7.222000 21.319000 111 " " T B 2 "THR " " CB " 6 0 2 1 4984 2.48 + 4984 16 -8.291000 5.992000 20.900000 111 " " T B 2 "THR " " OG1" 8 0 2 1 4985 2.48 + 4985 3 -8.552000 8.307000 20.553000 111 " " T B 2 "THR " " CG2" 6 0 2 1 4986 2.48 + 4986 43 -5.787000 6.168000 22.817000 111 " " T B 2 "THR " " H " 1 0 2 1 4987 2.48 + 4987 41 -6.050000 7.105000 19.996000 111 " " T B 2 "THR " " HA " 1 0 2 1 4988 2.48 + 4988 41 -7.981000 7.305000 22.386000 111 " " T B 2 "THR " " HB " 1 0 2 1 4989 2.48 + 4989 42 -8.307000 5.982000 19.941000 111 " " T B 2 "THR " " HG1" 1 0 2 1 4990 2.48 + 4990 41 -9.621000 8.106000 20.580000 111 " " T B 2 "THR " "HG21" 1 0 2 1 4991 2.48 + 4991 41 -8.406000 9.301000 20.977000 111 " " T B 2 "THR " "HG22" 1 0 2 1 4992 2.48 + 4992 41 -8.258000 8.345000 19.503000 111 " " T B 2 "THR " "HG23" 1 0 2 1 4993 2.48 + 4993 25 -5.213000 9.409000 20.543000 112 " " T B 2 "THR " " N " 7 0 2 1 4994 9.38 + 4994 3 -4.740000 10.766000 20.793000 112 " " T B 2 "THR " " CA " 6 0 2 1 4995 9.38 + 4995 2 -5.890000 11.766000 20.569000 112 " " T B 2 "THR " " C " 6 0 2 1 4996 9.38 + 4996 15 -6.077000 12.262000 19.455000 112 " " T B 2 "THR " " O " 8 0 2 1 4997 7.49 + 4997 3 -3.546000 11.114000 19.871000 112 " " T B 2 "THR " " CB " 6 0 2 1 4998 7.49 + 4998 16 -2.536000 10.135000 20.020000 112 " " T B 2 "THR " " OG1" 8 0 2 1 4999 7.49 + 4999 3 -2.906000 12.486000 20.146000 112 " " T B 2 "THR " " CG2" 6 0 2 1 5000 7.49 + 5000 43 -5.108000 9.059000 19.599000 112 " " T B 2 "THR " " H " 1 0 2 1 5001 9.38 + 5001 41 -4.398000 10.860000 21.826000 112 " " T B 2 "THR " " HA " 1 0 2 1 5002 9.38 + 5002 41 -3.878000 11.078000 18.836000 112 " " T B 2 "THR " " HB " 1 0 2 1 5003 7.49 + 5003 42 -2.881000 9.291000 19.718000 112 " " T B 2 "THR " " HG1" 1 0 2 1 5004 7.49 + 5004 41 -2.032000 12.640000 19.513000 112 " " T B 2 "THR " "HG21" 1 0 2 1 5005 7.49 + 5005 41 -3.595000 13.306000 19.941000 112 " " T B 2 "THR " "HG22" 1 0 2 1 5006 7.49 + 5006 41 -2.586000 12.572000 21.185000 112 " " T B 2 "THR " "HG23" 1 0 2 1 5007 7.49 + 5007 25 -6.662000 12.016000 21.640000 113 " " L B 2 "LEU " " N " 7 0 2 1 5008 8.55 + 5008 3 -7.736000 13.003000 21.644000 113 " " L B 2 "LEU " " CA " 6 0 2 1 5009 8.55 + 5009 2 -7.139000 14.416000 21.680000 113 " " L B 2 "LEU " " C " 6 0 2 1 5010 8.55 + 5010 15 -6.301000 14.693000 22.537000 113 " " L B 2 "LEU " " O " 8 0 2 1 5011 2.48 + 5011 3 -8.679000 12.762000 22.845000 113 " " L B 2 "LEU " " CB " 6 0 2 1 5012 2.48 + 5012 3 -10.002000 13.560000 22.772000 113 " " L B 2 "LEU " " CG " 6 0 2 1 5013 2.48 + 5013 3 -10.842000 13.131000 21.561000 113 " " L B 2 "LEU " " CD1" 6 0 2 1 5014 2.48 + 5014 3 -10.810000 13.454000 24.079000 113 " " L B 2 "LEU " " CD2" 6 0 2 1 5015 2.48 + 5015 43 -6.447000 11.581000 22.528000 113 " " L B 2 "LEU " " H " 1 0 2 1 5016 8.55 + 5016 41 -8.300000 12.870000 20.721000 113 " " L B 2 "LEU " " HA " 1 0 2 1 5017 8.55 + 5017 41 -8.148000 13.020000 23.760000 113 " " L B 2 "LEU " " HB3" 1 0 2 1 5018 2.48 + 5018 41 -8.912000 11.698000 22.923000 113 " " L B 2 "LEU " " HB2" 1 0 2 1 5019 2.48 + 5019 41 -9.762000 14.618000 22.651000 113 " " L B 2 "LEU " " HG " 1 0 2 1 5020 2.48 + 5020 41 -11.905000 13.261000 21.731000 113 " " L B 2 "LEU " "HD11" 1 0 2 1 5021 2.48 + 5021 41 -10.580000 13.718000 20.682000 113 " " L B 2 "LEU " "HD12" 1 0 2 1 5022 2.48 + 5022 41 -10.685000 12.080000 21.327000 113 " " L B 2 "LEU " "HD13" 1 0 2 1 5023 2.48 + 5023 41 -11.182000 14.432000 24.386000 113 " " L B 2 "LEU " "HD21" 1 0 2 1 5024 2.48 + 5024 41 -11.668000 12.789000 23.983000 113 " " L B 2 "LEU " "HD22" 1 0 2 1 5025 2.48 + 5025 41 -10.206000 13.071000 24.900000 113 " " L B 2 "LEU " "HD23" 1 0 2 1 5026 2.48 + 5026 25 -7.598000 15.270000 20.758000 114 " " T B 2 "THR " " N " 7 0 2 1 5027 2.48 + 5027 3 -7.240000 16.681000 20.690000 114 " " T B 2 "THR " " CA " 6 0 2 1 5028 2.48 + 5028 2 -8.536000 17.496000 20.696000 114 " " T B 2 "THR " " C " 6 0 2 1 5029 2.48 + 5029 15 -9.353000 17.343000 19.788000 114 " " T B 2 "THR " " O " 8 0 2 1 5030 2.48 + 5030 3 -6.442000 17.008000 19.399000 114 " " T B 2 "THR " " CB " 6 0 2 1 5031 2.48 + 5031 16 -5.219000 16.299000 19.426000 114 " " T B 2 "THR " " OG1" 8 0 2 1 5032 2.48 + 5032 3 -6.114000 18.503000 19.205000 114 " " T B 2 "THR " " CG2" 6 0 2 1 5033 2.48 + 5033 43 -8.272000 14.952000 20.073000 114 " " T B 2 "THR " " H " 1 0 2 1 5034 2.48 + 5034 41 -6.650000 16.977000 21.556000 114 " " T B 2 "THR " " HA " 1 0 2 1 5035 2.48 + 5035 41 -6.990000 16.649000 18.526000 114 " " T B 2 "THR " " HB " 1 0 2 1 5036 2.48 + 5036 42 -5.415000 15.359000 19.462000 114 " " T B 2 "THR " " HG1" 1 0 2 1 5037 2.48 + 5037 41 -5.444000 18.655000 18.360000 114 " " T B 2 "THR " "HG21" 1 0 2 1 5038 2.48 + 5038 41 -7.008000 19.097000 19.014000 114 " " T B 2 "THR " "HG22" 1 0 2 1 5039 2.48 + 5039 41 -5.624000 18.915000 20.089000 114 " " T B 2 "THR " "HG23" 1 0 2 1 5040 2.48 + 5040 25 -8.690000 18.350000 21.720000 115 " " V B 2 "VAL " " N " 7 0 2 1 5041 14.38 + 5041 3 -9.807000 19.281000 21.830000 115 " " V B 2 "VAL " " CA " 6 0 2 1 5042 14.38 + 5042 2 -9.327000 20.662000 21.351000 115 " " V B 2 "VAL " " C " 6 0 2 1 5043 14.38 + 5043 15 -8.480000 21.271000 22.005000 115 " " V B 2 "VAL " " O " 8 0 2 1 5044 8.89 + 5044 3 -10.362000 19.386000 23.277000 115 " " V B 2 "VAL " " CB " 6 0 2 1 5045 8.89 + 5045 3 -11.515000 20.405000 23.402000 115 " " V B 2 "VAL " " CG1" 6 0 2 1 5046 8.89 + 5046 3 -10.835000 18.014000 23.792000 115 " " V B 2 "VAL " " CG2" 6 0 2 1 5047 8.89 + 5047 43 -7.972000 18.428000 22.429000 115 " " V B 2 "VAL " " H " 1 0 2 1 5048 14.38 + 5048 41 -10.628000 18.937000 21.209000 115 " " V B 2 "VAL " " HA " 1 0 2 1 5049 14.38 + 5049 41 -9.561000 19.712000 23.943000 115 " " V B 2 "VAL " " HB " 1 0 2 1 5050 8.89 + 5050 41 -11.938000 20.403000 24.405000 115 " " V B 2 "VAL " "HG11" 1 0 2 1 5051 8.89 + 5051 41 -11.187000 21.426000 23.206000 115 " " V B 2 "VAL " "HG12" 1 0 2 1 5052 8.89 + 5052 41 -12.320000 20.173000 22.704000 115 " " V B 2 "VAL " "HG13" 1 0 2 1 5053 8.89 + 5053 41 -11.265000 18.100000 24.788000 115 " " V B 2 "VAL " "HG21" 1 0 2 1 5054 8.89 + 5054 41 -11.600000 17.587000 23.141000 115 " " V B 2 "VAL " "HG22" 1 0 2 1 5055 8.89 + 5055 41 -10.014000 17.299000 23.856000 115 " " V B 2 "VAL " "HG23" 1 0 2 1 5056 8.89 + 5056 25 -9.859000 21.111000 20.204000 116 " " S B 2 "SER " " N " 7 0 0 1 5057 11.61 + 5057 3 -9.486000 22.366000 19.550000 116 " " S B 2 "SER " " CA " 6 0 0 1 5058 11.61 + 5058 2 -10.571000 22.773000 18.540000 116 " " S B 2 "SER " " C " 6 0 0 1 5059 11.61 + 5059 15 -11.297000 21.909000 18.051000 116 " " S B 2 "SER " " O " 8 0 0 1 5060 42.69 + 5060 3 -8.105000 22.202000 18.868000 116 " " S B 2 "SER " " CB " 6 0 0 1 5061 42.69 + 5061 16 -7.626000 23.429000 18.351000 116 " " S B 2 "SER " " OG " 8 0 0 1 5062 42.69 + 5062 43 -10.563000 20.558000 19.729000 116 " " S B 2 "SER " " H " 1 0 0 1 5063 11.61 + 5063 41 -9.427000 23.144000 20.313000 116 " " S B 2 "SER " " HA " 1 0 0 1 5064 11.61 + 5064 41 -8.159000 21.475000 18.056000 116 " " S B 2 "SER " " HB3" 1 0 0 1 5065 42.69 + 5065 41 -7.360000 21.829000 19.571000 116 " " S B 2 "SER " " HB2" 1 0 0 1 5066 42.69 + 5066 42 -7.230000 23.930000 19.069000 116 " " S B 2 "SER " " HG " 1 0 0 1 5067 42.69 + 5067 25 -10.646000 24.078000 18.231000 117 " " S B 2 "SER " " N " 7 0 0 1 5068 43.46 + 5068 3 -11.504000 24.643000 17.185000 117 " " S B 2 "SER " " CA " 6 0 0 1 5069 43.46 + 5069 2 -10.841000 24.629000 15.797000 117 " " S B 2 "SER " " C " 6 0 0 1 5070 43.46 + 5070 15 -11.561000 24.584000 14.798000 117 " " S B 2 "SER " " O " 8 0 0 1 5071 78.27 + 5071 3 -11.931000 26.067000 17.593000 117 " " S B 2 "SER " " CB " 6 0 0 1 5072 78.27 + 5072 16 -10.866000 26.996000 17.507000 117 " " S B 2 "SER " " OG " 8 0 0 1 5073 78.27 + 5073 43 -10.018000 24.731000 18.678000 117 " " S B 2 "SER " " H " 1 0 0 1 5074 43.46 + 5074 41 -12.415000 24.049000 17.122000 117 " " S B 2 "SER " " HA " 1 0 0 1 5075 43.46 + 5075 41 -12.333000 26.072000 18.607000 117 " " S B 2 "SER " " HB3" 1 0 0 1 5076 78.27 + 5076 41 -12.732000 26.414000 16.940000 117 " " S B 2 "SER " " HB2" 1 0 0 1 5077 78.27 + 5077 42 -11.193000 27.863000 17.760000 117 " " S B 2 "SER " " HG " 1 0 0 1 5078 78.27 + 5078 25 -9.495000 24.662000 15.765000 118 " " A B 2 "ALA " " N " 7 0 0 1 5079 38.41 + 5079 3 -8.682000 24.636000 14.554000 118 " " A B 2 "ALA " " CA " 6 0 0 1 5080 38.41 + 5080 2 -8.936000 23.364000 13.742000 118 " " A B 2 "ALA " " C " 6 0 0 1 5081 38.41 + 5081 15 -8.958000 22.274000 14.312000 118 " " A B 2 "ALA " " O " 8 0 0 1 5082 29.88 + 5082 3 -7.207000 24.741000 14.939000 118 " " A B 2 "ALA " " CB " 6 0 0 1 5083 29.88 + 5083 43 -8.982000 24.678000 16.635000 118 " " A B 2 "ALA " " H " 1 0 0 1 5084 38.41 + 5084 41 -8.948000 25.509000 13.953000 118 " " A B 2 "ALA " " HA " 1 0 0 1 5085 38.41 + 5085 41 -6.594000 24.737000 14.040000 118 " " A B 2 "ALA " " HB1" 1 0 0 1 5086 29.88 + 5086 41 -6.997000 25.665000 15.478000 118 " " A B 2 "ALA " " HB2" 1 0 0 1 5087 29.88 + 5087 41 -6.888000 23.907000 15.565000 118 " " A B 2 "ALA " " HB3" 1 0 0 1 5088 29.88 + 5088 25 -9.175000 23.541000 12.438000 119 " " K B 2 "LYS " " N " 7 0 0 1 5089 35.04 + 5089 3 -9.558000 22.466000 11.530000 119 " " K B 2 "LYS " " CA " 6 0 0 1 5090 35.04 + 5090 2 -8.383000 21.539000 11.188000 119 " " K B 2 "LYS " " C " 6 0 0 1 5091 35.04 + 5091 15 -7.224000 21.954000 11.242000 119 " " K B 2 "LYS " " O " 8 0 0 1 5092 62.24 + 5092 3 -10.227000 23.082000 10.284000 119 " " K B 2 "LYS " " CB " 6 0 0 1 5093 62.24 + 5093 3 -9.315000 23.970000 9.420000 119 " " K B 2 "LYS " " CG " 6 0 0 1 5094 62.24 + 5094 3 -10.109000 24.745000 8.356000 119 " " K B 2 "LYS " " CD " 6 0 0 1 5095 62.24 + 5095 3 -9.228000 25.610000 7.443000 119 " " K B 2 "LYS " " CE " 6 0 0 1 5096 62.24 + 5096 32 -8.502000 26.647000 8.198000 119 " " K B 2 "LYS " " NZ " 7 1 0 1 5097 62.24 + 5097 43 -9.132000 24.468000 12.044000 119 " " K B 2 "LYS " " H " 1 0 0 1 5098 35.04 + 5098 41 -10.311000 21.863000 12.036000 119 " " K B 2 "LYS " " HA " 1 0 0 1 5099 35.04 + 5099 41 -11.089000 23.664000 10.613000 119 " " K B 2 "LYS " " HB3" 1 0 0 1 5100 62.24 + 5100 41 -10.632000 22.285000 9.659000 119 " " K B 2 "LYS " " HB2" 1 0 0 1 5101 62.24 + 5101 41 -8.560000 23.352000 8.931000 119 " " K B 2 "LYS " " HG3" 1 0 0 1 5102 62.24 + 5102 41 -8.771000 24.671000 10.054000 119 " " K B 2 "LYS " " HG2" 1 0 0 1 5103 62.24 + 5103 41 -10.854000 25.375000 8.844000 119 " " K B 2 "LYS " " HD3" 1 0 0 1 5104 62.24 + 5104 41 -10.670000 24.040000 7.742000 119 " " K B 2 "LYS " " HD2" 1 0 0 1 5105 62.24 + 5105 41 -9.844000 26.097000 6.686000 119 " " K B 2 "LYS " " HE3" 1 0 0 1 5106 62.24 + 5106 41 -8.506000 24.987000 6.915000 119 " " K B 2 "LYS " " HE2" 1 0 0 1 5107 62.24 + 5107 44 -7.907000 26.207000 8.886000 119 " " K B 2 "LYS " " HZ1" 1 0 0 1 5108 62.24 + 5108 44 -7.933000 27.190000 7.564000 119 " " K B 2 "LYS " " HZ2" 1 0 0 1 5109 62.24 + 5109 44 -9.161000 27.255000 8.663000 119 " " K B 2 "LYS " " HZ3" 1 0 0 1 5110 62.24 + 5110 25 -8.735000 20.298000 10.817000 120 " " T B 2 "THR " " N " 7 0 0 1 5111 12.37 + 5111 3 -7.814000 19.270000 10.343000 120 " " T B 2 "THR " " CA " 6 0 0 1 5112 12.37 + 5112 2 -7.048000 19.738000 9.092000 120 " " T B 2 "THR " " C " 6 0 0 1 5113 12.37 + 5113 15 -7.647000 20.338000 8.197000 120 " " T B 2 "THR " " O " 8 0 0 1 5114 21.07 + 5114 3 -8.583000 17.977000 9.966000 120 " " T B 2 "THR " " CB " 6 0 0 1 5115 21.07 + 5115 16 -9.271000 17.490000 11.099000 120 " " T B 2 "THR " " OG1" 8 0 0 1 5116 21.07 + 5116 3 -7.722000 16.825000 9.427000 120 " " T B 2 "THR " " CG2" 6 0 0 1 5117 21.07 + 5117 43 -9.710000 20.038000 10.804000 120 " " T B 2 "THR " " H " 1 0 0 1 5118 12.37 + 5118 41 -7.109000 19.055000 11.148000 120 " " T B 2 "THR " " HA " 1 0 0 1 5119 12.37 + 5119 41 -9.341000 18.215000 9.218000 120 " " T B 2 "THR " " HB " 1 0 0 1 5120 21.07 + 5120 42 -9.571000 16.596000 10.914000 120 " " T B 2 "THR " " HG1" 1 0 0 1 5121 21.07 + 5121 41 -8.328000 15.930000 9.279000 120 " " T B 2 "THR " "HG21" 1 0 0 1 5122 21.07 + 5122 41 -7.272000 17.065000 8.464000 120 " " T B 2 "THR " "HG22" 1 0 0 1 5123 21.07 + 5123 41 -6.920000 16.573000 10.122000 120 " " T B 2 "THR " "HG23" 1 0 0 1 5124 21.07 + 5124 25 -5.740000 19.455000 9.072000 121 " " T B 2 "THR " " N " 7 0 0 1 5125 10.39 + 5125 3 -4.848000 19.790000 7.974000 121 " " T B 2 "THR " " CA " 6 0 0 1 5126 10.39 + 5126 2 -3.945000 18.564000 7.713000 121 " " T B 2 "THR " " C " 6 0 0 1 5127 10.39 + 5127 15 -3.207000 18.181000 8.621000 121 " " T B 2 "THR " " O " 8 0 0 1 5128 20.05 + 5128 3 -3.945000 21.001000 8.335000 121 " " T B 2 "THR " " CB " 6 0 0 1 5129 20.05 + 5129 16 -4.741000 22.095000 8.751000 121 " " T B 2 "THR " " OG1" 8 0 0 1 5130 20.05 + 5130 3 -3.112000 21.489000 7.138000 121 " " T B 2 "THR " " CG2" 6 0 0 1 5131 20.05 + 5131 43 -5.319000 18.961000 9.850000 121 " " T B 2 "THR " " H " 1 0 0 1 5132 10.39 + 5132 41 -5.431000 20.060000 7.097000 121 " " T B 2 "THR " " HA " 1 0 0 1 5133 10.39 + 5133 41 -3.278000 20.757000 9.164000 121 " " T B 2 "THR " " HB " 1 0 0 1 5134 20.05 + 5134 42 -5.219000 21.845000 9.547000 121 " " T B 2 "THR " " HG1" 1 0 0 1 5135 20.05 + 5135 41 -2.552000 22.391000 7.381000 121 " " T B 2 "THR " "HG21" 1 0 0 1 5136 20.05 + 5136 41 -2.393000 20.738000 6.812000 121 " " T B 2 "THR " "HG22" 1 0 0 1 5137 20.05 + 5137 41 -3.750000 21.723000 6.285000 121 " " T B 2 "THR " "HG23" 1 0 0 1 5138 20.05 + 5138 25 -4.026000 17.932000 6.518000 122 " " P B 2 "PRO " " N " 7 0 0 1 5139 23.24 + 5139 3 -3.137000 16.803000 6.184000 122 " " P B 2 "PRO " " CA " 6 0 0 1 5140 23.24 + 5140 2 -1.661000 17.238000 5.992000 122 " " P B 2 "PRO " " C " 6 0 0 1 5141 23.24 + 5141 15 -1.405000 18.419000 5.748000 122 " " P B 2 "PRO " " O " 8 0 0 1 5142 32.25 + 5142 3 -3.758000 16.235000 4.896000 122 " " P B 2 "PRO " " CB " 6 0 0 1 5143 32.25 + 5143 3 -4.443000 17.420000 4.240000 122 " " P B 2 "PRO " " CG " 6 0 0 1 5144 32.25 + 5144 3 -4.950000 18.234000 5.422000 122 " " P B 2 "PRO " " CD " 6 0 0 1 5145 32.25 + 5145 41 -3.200000 16.059000 6.977000 122 " " P B 2 "PRO " " HA " 1 0 0 1 5146 23.24 + 5146 41 -4.502000 15.482000 5.158000 122 " " P B 2 "PRO " " HB3" 1 0 0 1 5147 32.25 + 5147 41 -3.037000 15.757000 4.230000 122 " " P B 2 "PRO " " HB2" 1 0 0 1 5148 32.25 + 5148 41 -5.229000 17.137000 3.539000 122 " " P B 2 "PRO " " HG3" 1 0 0 1 5149 32.25 + 5149 41 -3.701000 18.003000 3.693000 122 " " P B 2 "PRO " " HG2" 1 0 0 1 5150 32.25 + 5150 41 -4.972000 19.291000 5.155000 122 " " P B 2 "PRO " " HD2" 1 0 0 1 5151 32.25 + 5151 41 -5.954000 17.922000 5.711000 122 " " P B 2 "PRO " " HD3" 1 0 0 1 5152 32.25 + 5152 25 -0.713000 16.281000 6.109000 123 " " P B 2 "PRO " " N " 7 0 0 1 5153 15.53 + 5153 3 0.728000 16.571000 6.025000 123 " " P B 2 "PRO " " CA " 6 0 0 1 5154 15.53 + 5154 2 1.217000 16.918000 4.615000 123 " " P B 2 "PRO " " C " 6 0 0 1 5155 15.53 + 5155 15 0.636000 16.473000 3.626000 123 " " P B 2 "PRO " " O " 8 0 0 1 5156 15.98 + 5156 3 1.383000 15.269000 6.520000 123 " " P B 2 "PRO " " CB " 6 0 0 1 5157 15.98 + 5157 3 0.390000 14.182000 6.154000 123 " " P B 2 "PRO " " CG " 6 0 0 1 5158 15.98 + 5158 3 -0.945000 14.868000 6.407000 123 " " P B 2 "PRO " " CD " 6 0 0 1 5159 15.98 + 5159 41 0.988000 17.408000 6.673000 123 " " P B 2 "PRO " " HA " 1 0 0 1 5160 15.53 + 5160 41 1.506000 15.304000 7.603000 123 " " P B 2 "PRO " " HB3" 1 0 0 1 5161 15.98 + 5161 41 2.362000 15.080000 6.078000 123 " " P B 2 "PRO " " HB2" 1 0 0 1 5162 15.98 + 5162 41 0.528000 13.261000 6.720000 123 " " P B 2 "PRO " " HG3" 1 0 0 1 5163 15.98 + 5163 41 0.484000 13.938000 5.095000 123 " " P B 2 "PRO " " HG2" 1 0 0 1 5164 15.98 + 5164 41 -1.746000 14.416000 5.823000 123 " " P B 2 "PRO " " HD2" 1 0 0 1 5165 15.98 + 5165 41 -1.202000 14.801000 7.461000 123 " " P B 2 "PRO " " HD3" 1 0 0 1 5166 15.98 + 5166 25 2.325000 17.671000 4.584000 124 " " S B 2 "SER " " N " 7 0 0 1 5167 16.89 + 5167 3 3.120000 17.936000 3.393000 124 " " S B 2 "SER " " CA " 6 0 0 1 5168 16.89 + 5168 2 4.471000 17.251000 3.620000 124 " " S B 2 "SER " " C " 6 0 0 1 5169 16.89 + 5169 15 5.321000 17.792000 4.330000 124 " " S B 2 "SER " " O " 8 0 0 1 5170 36.06 + 5170 3 3.273000 19.457000 3.205000 124 " " S B 2 "SER " " CB " 6 0 0 1 5171 36.06 + 5171 16 2.014000 20.050000 2.963000 124 " " S B 2 "SER " " OG " 8 0 0 1 5172 36.06 + 5172 43 2.714000 18.022000 5.449000 124 " " S B 2 "SER " " H " 1 0 0 1 5173 16.89 + 5173 41 2.656000 17.518000 2.497000 124 " " S B 2 "SER " " HA " 1 0 0 1 5174 16.89 + 5174 41 3.906000 19.658000 2.341000 124 " " S B 2 "SER " " HB3" 1 0 0 1 5175 36.06 + 5175 41 3.746000 19.941000 4.059000 124 " " S B 2 "SER " " HB2" 1 0 0 1 5176 36.06 + 5176 42 1.466000 19.926000 3.742000 124 " " S B 2 "SER " " HG " 1 0 0 1 5177 36.06 + 5177 25 4.613000 16.041000 3.057000 125 " " V B 2 "VAL " " N " 7 0 2 1 5178 9.65 + 5178 3 5.800000 15.207000 3.217000 125 " " V B 2 "VAL " " CA " 6 0 2 1 5179 9.65 + 5179 2 6.806000 15.559000 2.112000 125 " " V B 2 "VAL " " C " 6 0 2 1 5180 9.65 + 5180 15 6.538000 15.306000 0.936000 125 " " V B 2 "VAL " " O " 8 0 2 1 5181 17.66 + 5181 3 5.474000 13.694000 3.110000 125 " " V B 2 "VAL " " CB " 6 0 2 1 5182 17.66 + 5182 3 6.694000 12.805000 3.430000 125 " " V B 2 "VAL " " CG1" 6 0 2 1 5183 17.66 + 5183 3 4.293000 13.309000 4.014000 125 " " V B 2 "VAL " " CG2" 6 0 2 1 5184 17.66 + 5184 43 3.868000 15.656000 2.494000 125 " " V B 2 "VAL " " H " 1 0 2 1 5185 9.65 + 5185 41 6.250000 15.388000 4.195000 125 " " V B 2 "VAL " " HA " 1 0 2 1 5186 9.65 + 5186 41 5.172000 13.463000 2.088000 125 " " V B 2 "VAL " " HB " 1 0 2 1 5187 17.66 + 5187 41 6.440000 11.749000 3.337000 125 " " V B 2 "VAL " "HG11" 1 0 2 1 5188 17.66 + 5188 41 7.536000 12.989000 2.765000 125 " " V B 2 "VAL " "HG12" 1 0 2 1 5189 17.66 + 5189 41 7.051000 12.976000 4.445000 125 " " V B 2 "VAL " "HG13" 1 0 2 1 5190 17.66 + 5190 41 4.122000 12.238000 3.974000 125 " " V B 2 "VAL " "HG21" 1 0 2 1 5191 17.66 + 5191 41 4.478000 13.590000 5.050000 125 " " V B 2 "VAL " "HG22" 1 0 2 1 5192 17.66 + 5192 41 3.365000 13.789000 3.701000 125 " " V B 2 "VAL " "HG23" 1 0 2 1 5193 17.66 + 5193 25 7.936000 16.146000 2.526000 126 " " Y B 2 "TYR " " N " 7 0 2 1 5194 2.48 + 5194 3 9.013000 16.565000 1.637000 126 " " Y B 2 "TYR " " CA " 6 0 2 1 5195 2.48 + 5195 2 10.213000 15.622000 1.834000 126 " " Y B 2 "TYR " " C " 6 0 2 1 5196 2.48 + 5196 15 10.602000 15.396000 2.981000 126 " " Y B 2 "TYR " " O " 8 0 2 1 5197 2.48 + 5197 3 9.401000 18.011000 1.993000 126 " " Y B 2 "TYR " " CB " 6 0 2 1 5198 2.48 + 5198 2 8.289000 19.035000 1.844000 126 " " Y B 2 "TYR " " CG " 6 0 2 1 5199 2.48 + 5199 2 7.506000 19.089000 0.668000 126 " " Y B 2 "TYR " " CD1" 6 0 2 1 5200 2.48 + 5200 2 8.046000 19.956000 2.883000 126 " " Y B 2 "TYR " " CD2" 6 0 2 1 5201 2.48 + 5201 2 6.492000 20.056000 0.534000 126 " " Y B 2 "TYR " " CE1" 6 0 2 1 5202 2.48 + 5202 2 7.038000 20.929000 2.743000 126 " " Y B 2 "TYR " " CE2" 6 0 2 1 5203 2.48 + 5203 2 6.267000 20.985000 1.568000 126 " " Y B 2 "TYR " " CZ " 6 0 2 1 5204 2.48 + 5204 16 5.309000 21.948000 1.435000 126 " " Y B 2 "TYR " " OH " 8 0 2 1 5205 2.48 + 5205 43 8.068000 16.342000 3.510000 126 " " Y B 2 "TYR " " H " 1 0 2 1 5206 2.48 + 5206 41 8.653000 16.551000 0.612000 126 " " Y B 2 "TYR " " HA " 1 0 2 1 5207 2.48 + 5207 41 10.228000 18.333000 1.360000 126 " " Y B 2 "TYR " " HB3" 1 0 2 1 5208 2.48 + 5208 41 9.776000 18.054000 3.015000 126 " " Y B 2 "TYR " " HB2" 1 0 2 1 5209 2.48 + 5209 41 7.684000 18.402000 -0.146000 126 " " Y B 2 "TYR " " HD1" 1 0 2 1 5210 2.48 + 5210 41 8.635000 19.926000 3.788000 126 " " Y B 2 "TYR " " HD2" 1 0 2 1 5211 2.48 + 5211 41 5.906000 20.096000 -0.372000 126 " " Y B 2 "TYR " " HE1" 1 0 2 1 5212 2.48 + 5212 41 6.858000 21.639000 3.534000 126 " " Y B 2 "TYR " " HE2" 1 0 2 1 5213 2.48 + 5213 42 4.855000 21.925000 0.588000 126 " " Y B 2 "TYR " " HH " 1 0 2 1 5214 2.48 + 5214 25 10.776000 15.080000 0.729000 127 " " P B 2 "PRO " " N " 7 0 0 1 5215 12.92 + 5215 3 11.943000 14.189000 0.795000 127 " " P B 2 "PRO " " CA " 6 0 0 1 5216 12.92 + 5216 2 13.220000 14.957000 1.179000 127 " " P B 2 "PRO " " C " 6 0 0 1 5217 12.92 + 5217 15 13.404000 16.088000 0.732000 127 " " P B 2 "PRO " " O " 8 0 0 1 5218 10.41 + 5218 3 12.022000 13.629000 -0.636000 127 " " P B 2 "PRO " " CB " 6 0 0 1 5219 10.41 + 5219 3 11.476000 14.726000 -1.526000 127 " " P B 2 "PRO " " CG " 6 0 0 1 5220 10.41 + 5220 3 10.401000 15.365000 -0.660000 127 " " P B 2 "PRO " " CD " 6 0 0 1 5221 10.41 + 5221 41 11.773000 13.380000 1.508000 127 " " P B 2 "PRO " " HA " 1 0 0 1 5222 12.92 + 5222 41 11.380000 12.751000 -0.718000 127 " " P B 2 "PRO " " HB3" 1 0 0 1 5223 10.41 + 5223 41 13.028000 13.333000 -0.939000 127 " " P B 2 "PRO " " HB2" 1 0 0 1 5224 10.41 + 5224 41 11.100000 14.365000 -2.483000 127 " " P B 2 "PRO " " HG3" 1 0 0 1 5225 10.41 + 5225 41 12.261000 15.455000 -1.730000 127 " " P B 2 "PRO " " HG2" 1 0 0 1 5226 10.41 + 5226 41 10.327000 16.433000 -0.872000 127 " " P B 2 "PRO " " HD2" 1 0 0 1 5227 10.41 + 5227 41 9.437000 14.906000 -0.856000 127 " " P B 2 "PRO " " HD3" 1 0 0 1 5228 10.41 + 5228 25 14.074000 14.326000 1.995000 128 " " L B 2 "LEU " " N " 7 0 0 1 5229 8.56 + 5229 3 15.386000 14.850000 2.363000 128 " " L B 2 "LEU " " CA " 6 0 0 1 5230 8.56 + 5230 2 16.442000 13.864000 1.844000 128 " " L B 2 "LEU " " C " 6 0 0 1 5231 8.56 + 5231 15 17.031000 13.112000 2.620000 128 " " L B 2 "LEU " " O " 8 0 0 1 5232 30.29 + 5232 3 15.490000 15.073000 3.891000 128 " " L B 2 "LEU " " CB " 6 0 0 1 5233 30.29 + 5233 3 14.356000 15.874000 4.562000 128 " " L B 2 "LEU " " CG " 6 0 0 1 5234 30.29 + 5234 3 14.515000 15.793000 6.092000 128 " " L B 2 "LEU " " CD1" 6 0 0 1 5235 30.29 + 5235 3 14.273000 17.330000 4.052000 128 " " L B 2 "LEU " " CD2" 6 0 0 1 5236 30.29 + 5236 43 13.852000 13.405000 2.353000 128 " " L B 2 "LEU " " H " 1 0 0 1 5237 8.56 + 5237 41 15.581000 15.806000 1.873000 128 " " L B 2 "LEU " " HA " 1 0 0 1 5238 8.56 + 5238 41 16.434000 15.570000 4.108000 128 " " L B 2 "LEU " " HB3" 1 0 0 1 5239 30.29 + 5239 41 15.558000 14.112000 4.393000 128 " " L B 2 "LEU " " HB2" 1 0 0 1 5240 30.29 + 5240 41 13.404000 15.395000 4.328000 128 " " L B 2 "LEU " " HG " 1 0 0 1 5241 30.29 + 5241 41 14.240000 16.713000 6.598000 128 " " L B 2 "LEU " "HD11" 1 0 0 1 5242 30.29 + 5242 41 13.885000 15.008000 6.508000 128 " " L B 2 "LEU " "HD12" 1 0 0 1 5243 30.29 + 5243 41 15.542000 15.567000 6.380000 128 " " L B 2 "LEU " "HD13" 1 0 0 1 5244 30.29 + 5244 41 13.332000 17.499000 3.528000 128 " " L B 2 "LEU " "HD21" 1 0 0 1 5245 30.29 + 5245 41 14.331000 18.065000 4.855000 128 " " L B 2 "LEU " "HD22" 1 0 0 1 5246 30.29 + 5246 41 15.077000 17.567000 3.355000 128 " " L B 2 "LEU " "HD23" 1 0 0 1 5247 30.29 + 5247 25 16.664000 13.892000 0.522000 129 " " A B 2 "ALA " " N " 7 0 0 1 5248 20.11 + 5248 3 17.811000 13.247000 -0.112000 129 " " A B 2 "ALA " " CA " 6 0 0 1 5249 20.11 + 5249 2 19.027000 14.192000 0.007000 129 " " A B 2 "ALA " " C " 6 0 0 1 5250 20.11 + 5250 15 18.843000 15.405000 -0.115000 129 " " A B 2 "ALA " " O " 8 0 0 1 5251 19.95 + 5251 3 17.465000 12.984000 -1.585000 129 " " A B 2 "ALA " " CB " 6 0 0 1 5252 19.95 + 5252 43 16.125000 14.516000 -0.061000 129 " " A B 2 "ALA " " H " 1 0 0 1 5253 20.11 + 5253 41 17.981000 12.292000 0.382000 129 " " A B 2 "ALA " " HA " 1 0 0 1 5254 20.11 + 5254 41 18.290000 12.489000 -2.098000 129 " " A B 2 "ALA " " HB1" 1 0 0 1 5255 19.95 + 5255 41 16.592000 12.336000 -1.673000 129 " " A B 2 "ALA " " HB2" 1 0 0 1 5256 19.95 + 5256 41 17.247000 13.909000 -2.121000 129 " " A B 2 "ALA " " HB3" 1 0 0 1 5257 19.95 + 5257 25 20.240000 13.649000 0.261000 130 " " P B 2 "PRO " " N " 7 0 0 1 5258 20.62 + 5258 3 21.465000 14.463000 0.366000 130 " " P B 2 "PRO " " CA " 6 0 0 1 5259 20.62 + 5259 2 21.793000 15.221000 -0.936000 130 " " P B 2 "PRO " " C " 6 0 0 1 5260 20.62 + 5260 15 21.649000 14.655000 -2.020000 130 " " P B 2 "PRO " " O " 8 0 0 1 5261 29.48 + 5261 3 22.548000 13.429000 0.723000 130 " " P B 2 "PRO " " CB " 6 0 0 1 5262 29.48 + 5262 3 22.034000 12.113000 0.171000 130 " " P B 2 "PRO " " CG " 6 0 0 1 5263 29.48 + 5263 3 20.537000 12.224000 0.404000 130 " " P B 2 "PRO " " CD " 6 0 0 1 5264 29.48 + 5264 41 21.360000 15.182000 1.182000 130 " " P B 2 "PRO " " HA " 1 0 0 1 5265 20.62 + 5265 41 22.637000 13.362000 1.809000 130 " " P B 2 "PRO " " HB3" 1 0 0 1 5266 29.48 + 5266 41 23.533000 13.674000 0.334000 130 " " P B 2 "PRO " " HB2" 1 0 0 1 5267 29.48 + 5267 41 22.479000 11.241000 0.644000 130 " " P B 2 "PRO " " HG3" 1 0 0 1 5268 29.48 + 5268 41 22.238000 12.060000 -0.899000 130 " " P B 2 "PRO " " HG2" 1 0 0 1 5269 29.48 + 5269 41 19.991000 11.594000 -0.295000 130 " " P B 2 "PRO " " HD2" 1 0 0 1 5270 29.48 + 5270 41 20.284000 11.924000 1.422000 130 " " P B 2 "PRO " " HD3" 1 0 0 1 5271 29.48 + 5271 25 22.242000 16.483000 -0.800000 131 " " G B 2 "GLY " " N " 7 0 0 1 5272 53.34 + 5272 3 22.688000 17.331000 -1.919000 131 " " G B 2 "GLY " " CA " 6 0 0 1 5273 53.34 + 5273 2 24.001000 16.835000 -2.565000 131 " " G B 2 "GLY " " C " 6 0 0 1 5274 53.34 + 5274 15 24.378000 17.313000 -3.632000 131 " " G B 2 "GLY " " O " 8 0 0 1 5275 66.58 + 5275 43 22.317000 16.880000 0.126000 131 " " G B 2 "GLY " " H " 1 0 0 1 5276 53.34 + 5276 41 22.841000 18.346000 -1.551000 131 " " G B 2 "GLY " " HA3" 1 0 0 1 5277 53.34 + 5277 41 21.906000 17.382000 -2.678000 131 " " G B 2 "GLY " " HA2" 1 0 0 1 5278 53.34 + 5278 25 24.659000 15.868000 -1.909000 132 " " S B 2 "SER " " N " 7 0 0 1 5279 93.55 + 5279 3 25.849000 15.101000 -2.258000 132 " " S B 2 "SER " " CA " 6 0 0 1 5280 93.55 + 5280 2 26.123000 14.218000 -1.029000 132 " " S B 2 "SER " " C " 6 0 0 1 5281 93.55 + 5281 15 25.843000 14.657000 0.090000 132 " " S B 2 "SER " " O " 8 0 0 1 5282 87.1 + 5282 3 27.049000 16.022000 -2.587000 132 " " S B 2 "SER " " CB " 6 0 0 1 5283 87.1 + 5283 16 28.225000 15.279000 -2.847000 132 " " S B 2 "SER " " OG " 8 0 0 1 5284 87.1 + 5284 43 24.259000 15.579000 -1.028000 132 " " S B 2 "SER " " H " 1 0 0 1 5285 93.55 + 5285 41 25.614000 14.468000 -3.115000 132 " " S B 2 "SER " " HA " 1 0 0 1 5286 93.55 + 5286 41 27.246000 16.708000 -1.762000 132 " " S B 2 "SER " " HB3" 1 0 0 1 5287 87.1 + 5287 41 26.846000 16.632000 -3.467000 132 " " S B 2 "SER " " HB2" 1 0 0 1 5288 87.1 + 5288 42 28.564000 14.936000 -2.016000 132 " " S B 2 "SER " " HG " 1 0 0 1 5289 87.1 + 5289 25 26.666000 13.006000 -1.246000 133 " " A B 2 "ALA " " N " 7 0 0 1 5290 80.91 + 5290 3 26.993000 12.029000 -0.198000 133 " " A B 2 "ALA " " CA " 6 0 0 1 5291 80.91 + 5291 2 27.826000 12.641000 0.944000 133 " " A B 2 "ALA " " C " 6 0 0 1 5292 80.91 + 5292 15 28.937000 13.114000 0.701000 133 " " A B 2 "ALA " " O " 8 0 0 1 5293 63.75 + 5293 3 27.716000 10.830000 -0.830000 133 " " A B 2 "ALA " " CB " 6 0 0 1 5294 63.75 + 5294 43 26.882000 12.725000 -2.192000 133 " " A B 2 "ALA " " H " 1 0 0 1 5295 80.91 + 5295 41 26.047000 11.670000 0.213000 133 " " A B 2 "ALA " " HA " 1 0 0 1 5296 80.91 + 5296 41 27.964000 10.078000 -0.081000 133 " " A B 2 "ALA " " HB1" 1 0 0 1 5297 63.75 + 5297 41 27.089000 10.347000 -1.581000 133 " " A B 2 "ALA " " HB2" 1 0 0 1 5298 63.75 + 5298 41 28.644000 11.132000 -1.318000 133 " " A B 2 "ALA " " HB3" 1 0 0 1 5299 63.75 + 5299 25 27.223000 12.687000 2.143000 134 " " A B 2 "ALA " " N " 7 0 0 1 5300 87.5 + 5300 3 27.754000 13.376000 3.318000 134 " " A B 2 "ALA " " CA " 6 0 0 1 5301 87.5 + 5301 2 28.959000 12.648000 3.924000 134 " " A B 2 "ALA " " C " 6 0 0 1 5302 87.5 + 5302 15 28.942000 11.418000 3.998000 134 " " A B 2 "ALA " " O " 8 0 0 1 5303 70.8 + 5303 3 26.629000 13.497000 4.360000 134 " " A B 2 "ALA " " CB " 6 0 0 1 5304 70.8 + 5304 43 26.306000 12.279000 2.251000 134 " " A B 2 "ALA " " H " 1 0 0 1 5305 87.5 + 5305 41 28.059000 14.381000 3.017000 134 " " A B 2 "ALA " " HA " 1 0 0 1 5306 87.5 + 5306 41 26.973000 14.004000 5.261000 134 " " A B 2 "ALA " " HB1" 1 0 0 1 5307 70.8 + 5307 41 25.789000 14.070000 3.964000 134 " " A B 2 "ALA " " HB2" 1 0 0 1 5308 70.8 + 5308 41 26.250000 12.518000 4.658000 134 " " A B 2 "ALA " " HB3" 1 0 0 1 5309 70.8 + 5309 25 29.955000 13.422000 4.391000 135 " " Q B 2 "GLN " " N " 7 0 0 1 5310 72.4 + 5310 3 31.069000 12.879000 5.166000 135 " " Q B 2 "GLN " " CA " 6 0 0 1 5311 72.4 + 5311 2 30.650000 12.893000 6.646000 135 " " Q B 2 "GLN " " C " 6 0 0 1 5312 72.4 + 5312 15 30.626000 13.950000 7.276000 135 " " Q B 2 "GLN " " O " 8 0 0 1 5313 57.84 + 5313 3 32.373000 13.677000 4.909000 135 " " Q B 2 "GLN " " CB " 6 0 0 1 5314 57.84 + 5314 3 33.685000 12.877000 5.125000 135 " " Q B 2 "GLN " " CG " 6 0 0 1 5315 57.84 + 5315 2 33.723000 11.987000 6.376000 135 " " Q B 2 "GLN " " CD " 6 0 0 1 5316 57.84 + 5316 15 33.849000 12.483000 7.493000 135 " " Q B 2 "GLN " " OE1" 8 0 0 1 5317 57.84 + 5317 25 33.584000 10.671000 6.197000 135 " " Q B 2 "GLN " " NE2" 7 0 0 1 5318 57.84 + 5318 43 29.924000 14.424000 4.278000 135 " " Q B 2 "GLN " " H " 1 0 0 1 5319 72.4 + 5319 41 31.253000 11.850000 4.849000 135 " " Q B 2 "GLN " " HA " 1 0 0 1 5320 72.4 + 5320 41 32.397000 14.580000 5.521000 135 " " Q B 2 "GLN " " HB3" 1 0 0 1 5321 57.84 + 5321 41 32.378000 14.036000 3.879000 135 " " Q B 2 "GLN " " HB2" 1 0 0 1 5322 57.84 + 5322 41 34.533000 13.562000 5.155000 135 " " Q B 2 "GLN " " HG3" 1 0 0 1 5323 57.84 + 5323 41 33.850000 12.241000 4.254000 135 " " Q B 2 "GLN " " HG2" 1 0 0 1 5324 57.84 + 5324 43 33.595000 10.052000 6.995000 135 " " Q B 2 "GLN " "HE22" 1 0 0 1 5325 57.84 + 5325 43 33.479000 10.284000 5.271000 135 " " Q B 2 "GLN " "HE21" 1 0 0 1 5326 57.84 + 5326 25 30.358000 11.693000 7.155000 136 " " T B 2 "THR " " N " 7 0 0 1 5327 106.57 + 5327 3 30.025000 11.419000 8.549000 136 " " T B 2 "THR " " CA " 6 0 0 1 5328 106.57 + 5328 2 30.317000 9.947000 8.847000 136 " " T B 2 "THR " " C " 6 0 0 1 5329 106.57 + 5329 15 31.115000 9.659000 9.738000 136 " " T B 2 "THR " " O " 8 0 0 1 5330 63.64 + 5330 3 28.533000 11.680000 8.906000 136 " " T B 2 "THR " " CB " 6 0 0 1 5331 63.64 + 5331 16 27.694000 11.725000 7.762000 136 " " T B 2 "THR " " OG1" 8 0 0 1 5332 63.64 + 5332 3 28.361000 12.994000 9.650000 136 " " T B 2 "THR " " CG2" 6 0 0 1 5333 63.64 + 5333 43 30.394000 10.884000 6.551000 136 " " T B 2 "THR " " H " 1 0 0 1 5334 106.57 + 5334 41 30.678000 12.020000 9.186000 136 " " T B 2 "THR " " HA " 1 0 0 1 5335 106.57 + 5335 41 28.133000 10.889000 9.541000 136 " " T B 2 "THR " " HB " 1 0 0 1 5336 63.64 + 5336 42 26.798000 11.928000 8.046000 136 " " T B 2 "THR " " HG1" 1 0 0 1 5337 63.64 + 5337 41 27.315000 13.104000 9.924000 136 " " T B 2 "THR " "HG21" 1 0 0 1 5338 63.64 + 5338 41 28.947000 13.009000 10.569000 136 " " T B 2 "THR " "HG22" 1 0 0 1 5339 63.64 + 5339 41 28.665000 13.847000 9.047000 136 " " T B 2 "THR " "HG23" 1 0 0 1 5340 63.64 + 5340 25 29.676000 9.062000 8.074000 137 " " N B 2 "ASN " " N " 7 0 0 1 5341 82.21 + 5341 3 29.850000 7.613000 8.095000 137 " " N B 2 "ASN " " CA " 6 0 0 1 5342 82.21 + 5342 2 30.169000 7.134000 6.676000 137 " " N B 2 "ASN " " C " 6 0 0 1 5343 82.21 + 5343 15 30.074000 7.892000 5.708000 137 " " N B 2 "ASN " " O " 8 0 0 1 5344 89.58 + 5344 3 28.524000 6.975000 8.591000 137 " " N B 2 "ASN " " CB " 6 0 0 1 5345 89.58 + 5345 2 28.432000 6.707000 10.093000 137 " " N B 2 "ASN " " CG " 6 0 0 1 5346 89.58 + 5346 15 29.440000 6.514000 10.767000 137 " " N B 2 "ASN " " OD1" 8 0 0 1 5347 89.58 + 5347 25 27.206000 6.622000 10.612000 137 " " N B 2 "ASN " " ND2" 7 0 0 1 5348 89.58 + 5348 43 29.042000 9.404000 7.365000 137 " " N B 2 "ASN " " H " 1 0 0 1 5349 82.21 + 5349 41 30.684000 7.379000 8.759000 137 " " N B 2 "ASN " " HA " 1 0 0 1 5350 82.21 + 5350 41 28.416000 5.983000 8.158000 137 " " N B 2 "ASN " " HB3" 1 0 0 1 5351 89.58 + 5351 41 27.660000 7.544000 8.248000 137 " " N B 2 "ASN " " HB2" 1 0 0 1 5352 89.58 + 5352 43 27.089000 6.422000 11.594000 137 " " N B 2 "ASN " "HD22" 1 0 0 1 5353 89.58 + 5353 43 26.391000 6.767000 10.035000 137 " " N B 2 "ASN " "HD21" 1 0 0 1 5354 89.58 + 5354 25 30.486000 5.831000 6.597000 138 " " S B 2 "SER " " N " 7 0 0 1 5355 85.07 + 5355 3 30.424000 5.036000 5.374000 138 " " S B 2 "SER " " CA " 6 0 0 1 5356 85.07 + 5356 2 28.988000 4.998000 4.814000 138 " " S B 2 "SER " " C " 6 0 0 1 5357 85.07 + 5357 15 28.805000 5.251000 3.625000 138 " " S B 2 "SER " " O " 8 0 0 1 5358 71.64 + 5358 3 30.966000 3.622000 5.674000 138 " " S B 2 "SER " " CB " 6 0 0 1 5359 71.64 + 5359 16 30.928000 2.782000 4.538000 138 " " S B 2 "SER " " OG " 8 0 0 1 5360 71.64 + 5360 43 30.585000 5.303000 7.453000 138 " " S B 2 "SER " " H " 1 0 0 1 5361 85.07 + 5361 41 31.071000 5.505000 4.630000 138 " " S B 2 "SER " " HA " 1 0 0 1 5362 85.07 + 5362 41 30.394000 3.149000 6.474000 138 " " S B 2 "SER " " HB3" 1 0 0 1 5363 71.64 + 5363 41 31.999000 3.681000 6.020000 138 " " S B 2 "SER " " HB2" 1 0 0 1 5364 71.64 + 5364 42 30.011000 2.595000 4.320000 138 " " S B 2 "SER " " HG " 1 0 0 1 5365 71.64 + 5365 25 28.007000 4.731000 5.697000 139 " " M B 2 "MET " " N " 7 0 0 1 5366 58.43 + 5366 3 26.575000 4.806000 5.415000 139 " " M B 2 "MET " " CA " 6 0 0 1 5367 58.43 + 5367 2 26.074000 6.257000 5.274000 139 " " M B 2 "MET " " C " 6 0 0 1 5368 58.43 + 5368 15 26.605000 7.162000 5.917000 139 " " M B 2 "MET " " O " 8 0 0 1 5369 42.97 + 5369 3 25.773000 4.009000 6.474000 139 " " M B 2 "MET " " CB " 6 0 0 1 5370 42.97 + 5370 3 26.035000 4.308000 7.957000 139 " " M B 2 "MET " " CG " 6 0 0 1 5371 42.97 + 5371 49 27.308000 3.283000 8.740000 139 " " M B 2 "MET " " SD " 16 0 0 1 5372 42.97 + 5372 3 26.413000 1.708000 8.863000 139 " " M B 2 "MET " " CE " 6 0 0 1 5373 42.97 + 5373 43 28.250000 4.537000 6.658000 139 " " M B 2 "MET " " H " 1 0 0 1 5374 58.43 + 5374 41 26.415000 4.330000 4.449000 139 " " M B 2 "MET " " HA " 1 0 0 1 5375 58.43 + 5375 41 25.951000 2.949000 6.309000 139 " " M B 2 "MET " " HB3" 1 0 0 1 5376 42.97 + 5376 41 24.709000 4.152000 6.311000 139 " " M B 2 "MET " " HB2" 1 0 0 1 5377 42.97 + 5377 41 25.122000 4.126000 8.522000 139 " " M B 2 "MET " " HG3" 1 0 0 1 5378 42.97 + 5378 41 26.258000 5.362000 8.101000 139 " " M B 2 "MET " " HG2" 1 0 0 1 5379 42.97 + 5379 41 27.028000 0.972000 9.380000 139 " " M B 2 "MET " " HE1" 1 0 0 1 5380 42.97 + 5380 41 25.488000 1.838000 9.426000 139 " " M B 2 "MET " " HE2" 1 0 0 1 5381 42.97 + 5381 41 26.169000 1.314000 7.878000 139 " " M B 2 "MET " " HE3" 1 0 0 1 5382 42.97 + 5382 25 25.051000 6.430000 4.425000 140 " " V B 2 "VAL " " N " 7 0 2 1 5383 21.94 + 5383 3 24.420000 7.705000 4.096000 140 " " V B 2 "VAL " " CA " 6 0 2 1 5384 21.94 + 5384 2 23.122000 7.907000 4.903000 140 " " V B 2 "VAL " " C " 6 0 2 1 5385 21.94 + 5385 15 22.314000 6.984000 5.015000 140 " " V B 2 "VAL " " O " 8 0 2 1 5386 21.69 + 5386 3 24.117000 7.776000 2.567000 140 " " V B 2 "VAL " " CB " 6 0 2 1 5387 21.69 + 5387 3 23.166000 6.686000 2.026000 140 " " V B 2 "VAL " " CG1" 6 0 2 1 5388 21.69 + 5388 3 23.617000 9.160000 2.117000 140 " " V B 2 "VAL " " CG2" 6 0 2 1 5389 21.69 + 5389 43 24.627000 5.620000 3.993000 140 " " V B 2 "VAL " " H " 1 0 2 1 5390 21.94 + 5390 41 25.109000 8.517000 4.338000 140 " " V B 2 "VAL " " HA " 1 0 2 1 5391 21.94 + 5391 41 25.074000 7.623000 2.064000 140 " " V B 2 "VAL " " HB " 1 0 2 1 5392 21.69 + 5392 41 23.094000 6.742000 0.941000 140 " " V B 2 "VAL " "HG11" 1 0 2 1 5393 21.69 + 5393 41 23.525000 5.686000 2.260000 140 " " V B 2 "VAL " "HG12" 1 0 2 1 5394 21.69 + 5394 41 22.153000 6.784000 2.418000 140 " " V B 2 "VAL " "HG13" 1 0 2 1 5395 21.69 + 5395 41 23.568000 9.211000 1.029000 140 " " V B 2 "VAL " "HG21" 1 0 2 1 5396 21.69 + 5396 41 22.618000 9.378000 2.497000 140 " " V B 2 "VAL " "HG22" 1 0 2 1 5397 21.69 + 5397 41 24.285000 9.953000 2.451000 140 " " V B 2 "VAL " "HG23" 1 0 2 1 5398 21.69 + 5398 25 22.943000 9.125000 5.439000 141 " " T B 2 "THR " " N " 7 0 2 1 5399 27.14 + 5399 3 21.719000 9.533000 6.125000 141 " " T B 2 "THR " " CA " 6 0 2 1 5400 27.14 + 5400 2 20.744000 10.152000 5.114000 141 " " T B 2 "THR " " C " 6 0 2 1 5401 27.14 + 5401 15 21.112000 11.044000 4.349000 141 " " T B 2 "THR " " O " 8 0 2 1 5402 20.29 + 5402 3 21.985000 10.566000 7.249000 141 " " T B 2 "THR " " CB " 6 0 2 1 5403 20.29 + 5403 16 22.861000 9.983000 8.195000 141 " " T B 2 "THR " " OG1" 8 0 2 1 5404 20.29 + 5404 3 20.731000 11.032000 8.019000 141 " " T B 2 "THR " " CG2" 6 0 2 1 5405 20.29 + 5405 43 23.650000 9.837000 5.330000 141 " " T B 2 "THR " " H " 1 0 2 1 5406 27.14 + 5406 41 21.250000 8.663000 6.587000 141 " " T B 2 "THR " " HA " 1 0 2 1 5407 27.14 + 5407 41 22.486000 11.438000 6.829000 141 " " T B 2 "THR " " HB " 1 0 2 1 5408 20.29 + 5408 42 22.390000 9.281000 8.655000 141 " " T B 2 "THR " " HG1" 1 0 2 1 5409 20.29 + 5409 41 21.002000 11.686000 8.849000 141 " " T B 2 "THR " "HG21" 1 0 2 1 5410 20.29 + 5410 41 20.044000 11.595000 7.387000 141 " " T B 2 "THR " "HG22" 1 0 2 1 5411 20.29 + 5411 41 20.179000 10.186000 8.429000 141 " " T B 2 "THR " "HG23" 1 0 2 1 5412 20.29 + 5412 25 19.512000 9.647000 5.164000 142 " " L B 2 "LEU " " N " 7 0 0 1 5413 17.08 + 5413 3 18.356000 10.089000 4.400000 142 " " L B 2 "LEU " " CA " 6 0 0 1 5414 17.08 + 5414 2 17.308000 10.634000 5.386000 142 " " L B 2 "LEU " " C " 6 0 0 1 5415 17.08 + 5415 15 17.500000 10.523000 6.598000 142 " " L B 2 "LEU " " O " 8 0 0 1 5416 24.15 + 5416 3 17.824000 8.851000 3.650000 142 " " L B 2 "LEU " " CB " 6 0 0 1 5417 24.15 + 5417 3 18.753000 8.314000 2.532000 142 " " L B 2 "LEU " " CG " 6 0 0 1 5418 24.15 + 5418 3 18.331000 6.918000 2.035000 142 " " L B 2 "LEU " " CD1" 6 0 0 1 5419 24.15 + 5419 3 18.929000 9.309000 1.372000 142 " " L B 2 "LEU " " CD2" 6 0 0 1 5420 24.15 + 5420 43 19.309000 8.923000 5.843000 142 " " L B 2 "LEU " " H " 1 0 0 1 5421 17.08 + 5421 41 18.618000 10.889000 3.706000 142 " " L B 2 "LEU " " HA " 1 0 0 1 5422 17.08 + 5422 41 16.853000 9.092000 3.236000 142 " " L B 2 "LEU " " HB3" 1 0 0 1 5423 24.15 + 5423 41 17.642000 8.059000 4.375000 142 " " L B 2 "LEU " " HB2" 1 0 0 1 5424 24.15 + 5424 41 19.737000 8.171000 2.980000 142 " " L B 2 "LEU " " HG " 1 0 0 1 5425 24.15 + 5425 41 19.211000 6.322000 1.800000 142 " " L B 2 "LEU " "HD11" 1 0 0 1 5426 24.15 + 5426 41 17.763000 6.374000 2.787000 142 " " L B 2 "LEU " "HD12" 1 0 0 1 5427 24.15 + 5427 41 17.731000 6.956000 1.127000 142 " " L B 2 "LEU " "HD13" 1 0 0 1 5428 24.15 + 5428 41 19.982000 9.560000 1.248000 142 " " L B 2 "LEU " "HD21" 1 0 0 1 5429 24.15 + 5429 41 18.585000 8.904000 0.423000 142 " " L B 2 "LEU " "HD22" 1 0 0 1 5430 24.15 + 5430 41 18.379000 10.235000 1.532000 142 " " L B 2 "LEU " "HD23" 1 0 0 1 5431 24.15 + 5431 25 16.213000 11.215000 4.873000 143 " " G B 2 "GLY " " N " 7 0 0 1 5432 21.92 + 5432 3 15.155000 11.687000 5.756000 143 " " G B 2 "GLY " " CA " 6 0 0 1 5433 21.92 + 5433 2 13.874000 12.053000 5.012000 143 " " G B 2 "GLY " " C " 6 0 0 1 5434 21.92 + 5434 15 13.809000 12.054000 3.782000 143 " " G B 2 "GLY " " O " 8 0 0 1 5435 67.94 + 5435 43 16.093000 11.330000 3.875000 143 " " G B 2 "GLY " " H " 1 0 0 1 5436 21.92 + 5436 41 15.497000 12.548000 6.329000 143 " " G B 2 "GLY " " HA3" 1 0 0 1 5437 21.92 + 5437 41 14.904000 10.893000 6.456000 143 " " G B 2 "GLY " " HA2" 1 0 0 1 5438 21.92 + 5438 25 12.857000 12.368000 5.821000 144 " " C B 2 "CYS " " N " 7 0 2 1 5439 13.02 + 5439 3 11.563000 12.907000 5.426000 144 " " C B 2 "CYS " " CA " 6 0 2 1 5440 13.02 + 5440 2 11.175000 14.000000 6.421000 144 " " C B 2 "CYS " " C " 6 0 2 1 5441 13.02 + 5441 15 11.426000 13.863000 7.618000 144 " " C B 2 "CYS " " O " 8 0 2 1 5442 12.97 + 5442 3 10.500000 11.793000 5.380000 144 " " C B 2 "CYS " " CB " 6 0 2 1 5443 12.97 + 5443 49 10.148000 11.224000 3.702000 144 " " C B 2 "CYS " " SG " 16 0 2 1 5444 12.97 + 5444 43 13.011000 12.328000 6.820000 144 " " C B 2 "CYS " " H " 1 0 2 1 5445 13.02 + 5445 41 11.655000 13.367000 4.440000 144 " " C B 2 "CYS " " HA " 1 0 2 1 5446 13.02 + 5446 41 9.549000 12.142000 5.786000 144 " " C B 2 "CYS " " HB3" 1 0 2 1 5447 12.97 + 5447 41 10.792000 10.941000 5.996000 144 " " C B 2 "CYS " " HB2" 1 0 2 1 5448 12.97 + 5448 25 10.563000 15.060000 5.884000 145 " " L B 2 "LEU " " N " 7 0 2 1 5449 2.48 + 5449 3 10.165000 16.260000 6.604000 145 " " L B 2 "LEU " " CA " 6 0 2 1 5450 2.48 + 5450 2 8.647000 16.413000 6.464000 145 " " L B 2 "LEU " " C " 6 0 2 1 5451 2.48 + 5451 15 8.171000 16.972000 5.475000 145 " " L B 2 "LEU " " O " 8 0 2 1 5452 6.19 + 5452 3 10.953000 17.443000 6.005000 145 " " L B 2 "LEU " " CB " 6 0 2 1 5453 6.19 + 5453 3 10.664000 18.823000 6.632000 145 " " L B 2 "LEU " " CG " 6 0 2 1 5454 6.19 + 5454 3 11.127000 18.891000 8.103000 145 " " L B 2 "LEU " " CD1" 6 0 2 1 5455 6.19 + 5455 3 11.280000 19.938000 5.766000 145 " " L B 2 "LEU " " CD2" 6 0 2 1 5456 6.19 + 5456 43 10.411000 15.087000 4.883000 145 " " L B 2 "LEU " " H " 1 0 2 1 5457 2.48 + 5457 41 10.410000 16.177000 7.665000 145 " " L B 2 "LEU " " HA " 1 0 2 1 5458 2.48 + 5458 41 10.751000 17.486000 4.936000 145 " " L B 2 "LEU " " HB3" 1 0 2 1 5459 6.19 + 5459 41 12.021000 17.240000 6.083000 145 " " L B 2 "LEU " " HB2" 1 0 2 1 5460 6.19 + 5460 41 9.588000 18.997000 6.621000 145 " " L B 2 "LEU " " HG " 1 0 2 1 5461 6.19 + 5461 41 10.276000 18.784000 8.775000 145 " " L B 2 "LEU " "HD11" 1 0 2 1 5462 6.19 + 5462 41 11.831000 18.095000 8.348000 145 " " L B 2 "LEU " "HD12" 1 0 2 1 5463 6.19 + 5463 41 11.613000 19.834000 8.351000 145 " " L B 2 "LEU " "HD13" 1 0 2 1 5464 6.19 + 5464 41 12.064000 20.480000 6.293000 145 " " L B 2 "LEU " "HD21" 1 0 2 1 5465 6.19 + 5465 41 11.736000 19.553000 4.854000 145 " " L B 2 "LEU " "HD22" 1 0 2 1 5466 6.19 + 5466 41 10.526000 20.660000 5.459000 145 " " L B 2 "LEU " "HD23" 1 0 2 1 5467 6.19 + 5467 25 7.923000 15.893000 7.463000 146 " " V B 2 "VAL " " N " 7 0 2 1 5468 21.51 + 5468 3 6.470000 15.971000 7.565000 146 " " V B 2 "VAL " " CA " 6 0 2 1 5469 21.51 + 5469 2 6.089000 17.293000 8.246000 146 " " V B 2 "VAL " " C " 6 0 2 1 5470 21.51 + 5470 15 6.322000 17.431000 9.444000 146 " " V B 2 "VAL " " O " 8 0 2 1 5471 10.35 + 5471 3 5.924000 14.798000 8.427000 146 " " V B 2 "VAL " " CB " 6 0 2 1 5472 10.35 + 5472 3 4.401000 14.845000 8.632000 146 " " V B 2 "VAL " " CG1" 6 0 2 1 5473 10.35 + 5473 3 6.321000 13.450000 7.818000 146 " " V B 2 "VAL " " CG2" 6 0 2 1 5474 10.35 + 5474 43 8.394000 15.474000 8.252000 146 " " V B 2 "VAL " " H " 1 0 2 1 5475 21.51 + 5475 41 6.018000 15.928000 6.572000 146 " " V B 2 "VAL " " HA " 1 0 2 1 5476 21.51 + 5476 41 6.381000 14.833000 9.418000 146 " " V B 2 "VAL " " HB " 1 0 2 1 5477 10.35 + 5477 41 4.031000 13.928000 9.088000 146 " " V B 2 "VAL " "HG11" 1 0 2 1 5478 10.35 + 5478 41 4.097000 15.669000 9.273000 146 " " V B 2 "VAL " "HG12" 1 0 2 1 5479 10.35 + 5479 41 3.898000 14.958000 7.675000 146 " " V B 2 "VAL " "HG13" 1 0 2 1 5480 10.35 + 5480 41 5.816000 12.623000 8.313000 146 " " V B 2 "VAL " "HG21" 1 0 2 1 5481 10.35 + 5481 41 6.059000 13.427000 6.763000 146 " " V B 2 "VAL " "HG22" 1 0 2 1 5482 10.35 + 5482 41 7.394000 13.270000 7.896000 146 " " V B 2 "VAL " "HG23" 1 0 2 1 5483 10.35 + 5483 25 5.517000 18.246000 7.496000 147 " " K B 2 "LYS " " N " 7 0 2 1 5484 10.43 + 5484 3 5.182000 19.553000 8.061000 147 " " K B 2 "LYS " " CA " 6 0 2 1 5485 10.43 + 5485 2 3.838000 20.089000 7.574000 147 " " K B 2 "LYS " " C " 6 0 2 1 5486 10.43 + 5486 15 3.316000 19.651000 6.551000 147 " " K B 2 "LYS " " O " 8 0 2 1 5487 25.53 + 5487 3 6.353000 20.539000 7.870000 147 " " K B 2 "LYS " " CB " 6 0 2 1 5488 25.53 + 5488 3 6.696000 20.954000 6.428000 147 " " K B 2 "LYS " " CG " 6 0 2 1 5489 25.53 + 5489 3 7.931000 21.879000 6.370000 147 " " K B 2 "LYS " " CD " 6 0 2 1 5490 25.53 + 5490 3 7.770000 23.242000 7.069000 147 " " K B 2 "LYS " " CE " 6 0 2 1 5491 25.53 + 5491 32 6.696000 24.049000 6.469000 147 " " K B 2 "LYS " " NZ " 7 1 2 1 5492 25.53 + 5492 43 5.344000 18.106000 6.509000 147 " " K B 2 "LYS " " H " 1 0 2 1 5493 10.43 + 5493 41 5.034000 19.445000 9.136000 147 " " K B 2 "LYS " " HA " 1 0 2 1 5494 10.43 + 5494 41 7.243000 20.113000 8.330000 147 " " K B 2 "LYS " " HB3" 1 0 2 1 5495 25.53 + 5495 41 6.123000 21.435000 8.443000 147 " " K B 2 "LYS " " HB2" 1 0 2 1 5496 25.53 + 5496 41 5.840000 21.439000 5.958000 147 " " K B 2 "LYS " " HG3" 1 0 2 1 5497 25.53 + 5497 41 6.896000 20.061000 5.836000 147 " " K B 2 "LYS " " HG2" 1 0 2 1 5498 25.53 + 5498 41 8.224000 22.036000 5.333000 147 " " K B 2 "LYS " " HD3" 1 0 2 1 5499 25.53 + 5499 41 8.771000 21.362000 6.832000 147 " " K B 2 "LYS " " HD2" 1 0 2 1 5500 25.53 + 5500 41 8.696000 23.808000 6.995000 147 " " K B 2 "LYS " " HE3" 1 0 2 1 5501 25.53 + 5501 41 7.577000 23.118000 8.135000 147 " " K B 2 "LYS " " HE2" 1 0 2 1 5502 25.53 + 5502 44 6.892000 24.203000 5.491000 147 " " K B 2 "LYS " " HZ1" 1 0 2 1 5503 25.53 + 5503 44 5.817000 23.560000 6.562000 147 " " K B 2 "LYS " " HZ2" 1 0 2 1 5504 25.53 + 5504 44 6.637000 24.938000 6.946000 147 " " K B 2 "LYS " " HZ3" 1 0 2 1 5505 25.53 + 5505 25 3.309000 21.038000 8.360000 148 " " G B 2 "GLY " " N " 7 0 2 1 5506 8.38 + 5506 3 2.050000 21.721000 8.098000 148 " " G B 2 "GLY " " CA " 6 0 2 1 5507 8.38 + 5507 2 0.824000 20.924000 8.572000 148 " " G B 2 "GLY " " C " 6 0 2 1 5508 8.38 + 5508 15 -0.283000 21.372000 8.295000 148 " " G B 2 "GLY " " O " 8 0 2 1 5509 55.11 + 5509 43 3.796000 21.300000 9.207000 148 " " G B 2 "GLY " " H " 1 0 2 1 5510 8.38 + 5510 41 1.949000 21.931000 7.032000 148 " " G B 2 "GLY " " HA3" 1 0 2 1 5511 8.38 + 5511 41 2.069000 22.687000 8.601000 148 " " G B 2 "GLY " " HA2" 1 0 2 1 5512 8.38 + 5512 25 0.982000 19.774000 9.256000 149 " " Y B 2 "TYR " " N " 7 0 2 1 5513 36.71 + 5513 3 -0.138000 18.915000 9.660000 149 " " Y B 2 "TYR " " CA " 6 0 2 1 5514 36.71 + 5514 2 -0.744000 19.323000 11.013000 149 " " Y B 2 "TYR " " C " 6 0 2 1 5515 36.71 + 5515 15 -0.061000 19.929000 11.837000 149 " " Y B 2 "TYR " " O " 8 0 2 1 5516 25.27 + 5516 3 0.308000 17.437000 9.678000 149 " " Y B 2 "TYR " " CB " 6 0 2 1 5517 25.27 + 5517 2 1.113000 16.976000 10.878000 149 " " Y B 2 "TYR " " CG " 6 0 2 1 5518 25.27 + 5518 2 2.508000 17.173000 10.897000 149 " " Y B 2 "TYR " " CD1" 6 0 2 1 5519 25.27 + 5519 2 0.476000 16.346000 11.967000 149 " " Y B 2 "TYR " " CD2" 6 0 2 1 5520 25.27 + 5520 2 3.268000 16.713000 11.985000 149 " " Y B 2 "TYR " " CE1" 6 0 2 1 5521 25.27 + 5521 2 1.235000 15.901000 13.065000 149 " " Y B 2 "TYR " " CE2" 6 0 2 1 5522 25.27 + 5522 2 2.631000 16.076000 13.066000 149 " " Y B 2 "TYR " " CZ " 6 0 2 1 5523 25.27 + 5523 16 3.379000 15.639000 14.113000 149 " " Y B 2 "TYR " " OH " 8 0 2 1 5524 25.27 + 5524 43 1.909000 19.456000 9.500000 149 " " Y B 2 "TYR " " H " 1 0 2 1 5525 36.71 + 5525 41 -0.911000 19.005000 8.899000 149 " " Y B 2 "TYR " " HA " 1 0 2 1 5526 36.71 + 5526 41 0.878000 17.207000 8.785000 149 " " Y B 2 "TYR " " HB3" 1 0 2 1 5527 25.27 + 5527 41 -0.580000 16.804000 9.622000 149 " " Y B 2 "TYR " " HB2" 1 0 2 1 5528 25.27 + 5528 41 3.003000 17.664000 10.071000 149 " " Y B 2 "TYR " " HD1" 1 0 2 1 5529 25.27 + 5529 41 -0.594000 16.202000 11.966000 149 " " Y B 2 "TYR " " HD2" 1 0 2 1 5530 25.27 + 5530 41 4.337000 16.856000 11.992000 149 " " Y B 2 "TYR " " HE1" 1 0 2 1 5531 25.27 + 5531 41 0.750000 15.417000 13.896000 149 " " Y B 2 "TYR " " HE2" 1 0 2 1 5532 25.27 + 5532 42 2.869000 15.235000 14.830000 149 " " Y B 2 "TYR " " HH " 1 0 2 1 5533 25.27 + 5533 25 -1.998000 18.901000 11.233000 150 " " F B 2 "PHE " " N " 7 0 2 1 5534 40.87 + 5534 3 -2.740000 19.052000 12.483000 150 " " F B 2 "PHE " " CA " 6 0 2 1 5535 40.87 + 5535 2 -4.013000 18.184000 12.413000 150 " " F B 2 "PHE " " C " 6 0 2 1 5536 40.87 + 5536 15 -4.618000 18.120000 11.343000 150 " " F B 2 "PHE " " O " 8 0 2 1 5537 12.49 + 5537 3 -3.099000 20.546000 12.697000 150 " " F B 2 "PHE " " CB " 6 0 2 1 5538 12.49 + 5538 2 -3.838000 20.863000 13.984000 150 " " F B 2 "PHE " " CG " 6 0 2 1 5539 12.49 + 5539 2 -3.124000 20.926000 15.197000 150 " " F B 2 "PHE " " CD1" 6 0 2 1 5540 12.49 + 5540 2 -5.245000 20.945000 14.017000 150 " " F B 2 "PHE " " CD2" 6 0 2 1 5541 12.49 + 5541 2 -3.789000 21.138000 16.395000 150 " " F B 2 "PHE " " CE1" 6 0 2 1 5542 12.49 + 5542 2 -5.893000 21.156000 15.226000 150 " " F B 2 "PHE " " CE2" 6 0 2 1 5543 12.49 + 5543 2 -5.171000 21.261000 16.407000 150 " " F B 2 "PHE " " CZ " 6 0 2 1 5544 12.49 + 5544 43 -2.491000 18.416000 10.493000 150 " " F B 2 "PHE " " H " 1 0 2 1 5545 40.87 + 5545 41 -2.080000 18.712000 13.280000 150 " " F B 2 "PHE " " HA " 1 0 2 1 5546 40.87 + 5546 41 -3.685000 20.917000 11.855000 150 " " F B 2 "PHE " " HB3" 1 0 2 1 5547 12.49 + 5547 41 -2.191000 21.146000 12.712000 150 " " F B 2 "PHE " " HB2" 1 0 2 1 5548 12.49 + 5548 41 -2.051000 20.823000 15.190000 150 " " F B 2 "PHE " " HD1" 1 0 2 1 5549 12.49 + 5549 41 -5.819000 20.846000 13.109000 150 " " F B 2 "PHE " " HD2" 1 0 2 1 5550 12.49 + 5550 41 -3.231000 21.207000 17.317000 150 " " F B 2 "PHE " " HE1" 1 0 2 1 5551 12.49 + 5551 41 -6.965000 21.233000 15.255000 150 " " F B 2 "PHE " " HE2" 1 0 2 1 5552 12.49 + 5552 41 -5.688000 21.425000 17.341000 150 " " F B 2 "PHE " " HZ " 1 0 2 1 5553 12.49 + 5553 25 -4.455000 17.575000 13.536000 151 " " P B 2 "PRO " " N " 7 0 0 1 5554 12.76 + 5554 3 -3.741000 17.403000 14.817000 151 " " P B 2 "PRO " " CA " 6 0 0 1 5555 12.76 + 5555 2 -2.764000 16.212000 14.791000 151 " " P B 2 "PRO " " C " 6 0 0 1 5556 12.76 + 5556 15 -2.613000 15.554000 13.763000 151 " " P B 2 "PRO " " O " 8 0 0 1 5557 54.89 + 5557 3 -4.900000 17.158000 15.795000 151 " " P B 2 "PRO " " CB " 6 0 0 1 5558 54.89 + 5558 3 -5.889000 16.349000 14.981000 151 " " P B 2 "PRO " " CG " 6 0 0 1 5559 54.89 + 5559 3 -5.804000 17.012000 13.609000 151 " " P B 2 "PRO " " CD " 6 0 0 1 5560 54.89 + 5560 41 -3.195000 18.291000 15.125000 151 " " P B 2 "PRO " " HA " 1 0 0 1 5561 12.76 + 5561 41 -5.347000 18.113000 16.071000 151 " " P B 2 "PRO " " HB3" 1 0 0 1 5562 54.89 + 5562 41 -4.614000 16.654000 16.718000 151 " " P B 2 "PRO " " HB2" 1 0 0 1 5563 54.89 + 5563 41 -6.882000 16.348000 15.418000 151 " " P B 2 "PRO " " HG3" 1 0 0 1 5564 54.89 + 5564 41 -5.551000 15.314000 14.922000 151 " " P B 2 "PRO " " HG2" 1 0 0 1 5565 54.89 + 5565 41 -6.019000 16.322000 12.794000 151 " " P B 2 "PRO " " HD2" 1 0 0 1 5566 54.89 + 5566 41 -6.510000 17.838000 13.545000 151 " " P B 2 "PRO " " HD3" 1 0 0 1 5567 54.89 + 5567 25 -2.145000 15.934000 15.947000 152 " " E B 2 "GLU " " N " 7 0 0 1 5568 8.75 + 5568 3 -1.351000 14.729000 16.205000 152 " " E B 2 "GLU " " CA " 6 0 0 1 5569 8.75 + 5569 2 -2.200000 13.433000 16.196000 152 " " E B 2 "GLU " " C " 6 0 0 1 5570 8.75 + 5570 15 -3.405000 13.501000 16.451000 152 " " E B 2 "GLU " " O " 8 0 0 1 5571 18.01 + 5571 3 -0.647000 14.912000 17.568000 152 " " E B 2 "GLU " " CB " 6 0 0 1 5572 18.01 + 5572 3 0.600000 15.818000 17.512000 152 " " E B 2 "GLU " " CG " 6 0 0 1 5573 18.01 + 5573 2 1.901000 15.024000 17.409000 152 " " E B 2 "GLU " " CD " 6 0 0 1 5574 18.01 + 5574 15 2.193000 14.528000 16.299000 152 " " E B 2 "GLU " " OE1" 8 0 0 1 5575 18.01 + 5575 18 2.589000 14.930000 18.448000 152 " " E B 2 "GLU " " OE2" 8 -1 0 1 5576 18.01 + 5576 43 -2.316000 16.522000 16.750000 152 " " E B 2 "GLU " " H " 1 0 0 1 5577 8.75 + 5577 41 -0.609000 14.660000 15.412000 152 " " E B 2 "GLU " " HA " 1 0 0 1 5578 8.75 + 5578 41 -0.381000 13.946000 18.000000 152 " " E B 2 "GLU " " HB3" 1 0 0 1 5579 18.01 + 5579 41 -1.353000 15.341000 18.281000 152 " " E B 2 "GLU " " HB2" 1 0 0 1 5580 18.01 + 5580 41 0.644000 16.427000 18.416000 152 " " E B 2 "GLU " " HG3" 1 0 0 1 5581 18.01 + 5581 41 0.541000 16.515000 16.677000 152 " " E B 2 "GLU " " HG2" 1 0 0 1 5582 18.01 + 5582 25 -1.559000 12.262000 15.964000 153 " " P B 2 "PRO " " N " 7 0 0 1 5583 14.72 + 5583 3 -0.143000 12.065000 15.615000 153 " " P B 2 "PRO " " CA " 6 0 0 1 5584 14.72 + 5584 2 0.077000 11.922000 14.094000 153 " " P B 2 "PRO " " C " 6 0 0 1 5585 14.72 + 5585 15 -0.887000 11.952000 13.329000 153 " " P B 2 "PRO " " O " 8 0 0 1 5586 2.48 + 5586 3 0.162000 10.765000 16.371000 153 " " P B 2 "PRO " " CB " 6 0 0 1 5587 2.48 + 5587 3 -1.104000 9.931000 16.229000 153 " " P B 2 "PRO " " CG " 6 0 0 1 5588 2.48 + 5588 3 -2.222000 10.966000 16.100000 153 " " P B 2 "PRO " " CD " 6 0 0 1 5589 2.48 + 5589 41 0.504000 12.842000 15.998000 153 " " P B 2 "PRO " " HA " 1 0 0 1 5590 14.72 + 5590 41 0.328000 10.998000 17.424000 153 " " P B 2 "PRO " " HB3" 1 0 0 1 5591 2.48 + 5591 41 1.049000 10.238000 16.016000 153 " " P B 2 "PRO " " HB2" 1 0 0 1 5592 2.48 + 5592 41 -1.253000 9.243000 17.061000 153 " " P B 2 "PRO " " HG3" 1 0 0 1 5593 2.48 + 5593 41 -1.053000 9.339000 15.313000 153 " " P B 2 "PRO " " HG2" 1 0 0 1 5594 2.48 + 5594 41 -2.824000 10.775000 15.216000 153 " " P B 2 "PRO " " HD2" 1 0 0 1 5595 2.48 + 5595 41 -2.872000 10.942000 16.969000 153 " " P B 2 "PRO " " HD3" 1 0 0 1 5596 2.48 + 5596 25 1.343000 11.704000 13.699000 154 " " V B 2 "VAL " " N " 7 0 0 1 5597 2.48 + 5597 3 1.710000 11.140000 12.398000 154 " " V B 2 "VAL " " CA " 6 0 0 1 5598 2.48 + 5598 2 2.679000 9.969000 12.611000 154 " " V B 2 "VAL " " C " 6 0 0 1 5599 2.48 + 5599 15 3.684000 10.115000 13.307000 154 " " V B 2 "VAL " " O " 8 0 0 1 5600 2.48 + 5600 3 2.365000 12.151000 11.414000 154 " " V B 2 "VAL " " CB " 6 0 0 1 5601 2.48 + 5601 3 1.329000 13.102000 10.812000 154 " " V B 2 "VAL " " CG1" 6 0 0 1 5602 2.48 + 5602 3 3.575000 12.909000 11.986000 154 " " V B 2 "VAL " " CG2" 6 0 0 1 5603 2.48 + 5603 43 2.087000 11.728000 14.383000 154 " " V B 2 "VAL " " H " 1 0 0 1 5604 2.48 + 5604 41 0.806000 10.747000 11.935000 154 " " V B 2 "VAL " " HA " 1 0 0 1 5605 2.48 + 5605 41 2.745000 11.586000 10.560000 154 " " V B 2 "VAL " " HB " 1 0 0 1 5606 2.48 + 5606 41 1.777000 13.811000 10.115000 154 " " V B 2 "VAL " "HG11" 1 0 0 1 5607 2.48 + 5607 41 0.572000 12.540000 10.272000 154 " " V B 2 "VAL " "HG12" 1 0 0 1 5608 2.48 + 5608 41 0.827000 13.666000 11.594000 154 " " V B 2 "VAL " "HG13" 1 0 0 1 5609 2.48 + 5609 41 3.869000 13.746000 11.356000 154 " " V B 2 "VAL " "HG21" 1 0 0 1 5610 2.48 + 5610 41 3.367000 13.303000 12.978000 154 " " V B 2 "VAL " "HG22" 1 0 0 1 5611 2.48 + 5611 41 4.440000 12.255000 12.069000 154 " " V B 2 "VAL " "HG23" 1 0 0 1 5612 2.48 + 5612 25 2.337000 8.823000 12.007000 155 " " T B 2 "THR " " N " 7 0 2 1 5613 2.48 + 5613 3 3.084000 7.577000 12.114000 155 " " T B 2 "THR " " CA " 6 0 2 1 5614 2.48 + 5614 2 4.023000 7.445000 10.903000 155 " " T B 2 "THR " " C " 6 0 2 1 5615 2.48 + 5615 15 3.573000 7.072000 9.817000 155 " " T B 2 "THR " " O " 8 0 2 1 5616 33.4 + 5616 3 2.153000 6.330000 12.181000 155 " " T B 2 "THR " " CB " 6 0 2 1 5617 33.4 + 5617 16 0.970000 6.614000 12.904000 155 " " T B 2 "THR " " OG1" 8 0 2 1 5618 33.4 + 5618 3 2.828000 5.129000 12.861000 155 " " T B 2 "THR " " CG2" 6 0 2 1 5619 33.4 + 5619 43 1.500000 8.789000 11.440000 155 " " T B 2 "THR " " H " 1 0 2 1 5620 2.48 + 5620 41 3.690000 7.590000 13.023000 155 " " T B 2 "THR " " HA " 1 0 2 1 5621 2.48 + 5621 41 1.829000 6.015000 11.191000 155 " " T B 2 "THR " " HB " 1 0 2 1 5622 33.4 + 5622 42 0.475000 5.798000 13.015000 155 " " T B 2 "THR " " HG1" 1 0 2 1 5623 33.4 + 5623 41 2.164000 4.264000 12.887000 155 " " T B 2 "THR " "HG21" 1 0 2 1 5624 33.4 + 5624 41 3.731000 4.830000 12.327000 155 " " T B 2 "THR " "HG22" 1 0 2 1 5625 33.4 + 5625 41 3.112000 5.361000 13.888000 155 " " T B 2 "THR " "HG23" 1 0 2 1 5626 33.4 + 5626 25 5.300000 7.813000 11.099000 156 " " V B 2 "VAL " " N " 7 0 2 1 5627 13.66 + 5627 3 6.310000 7.780000 10.043000 156 " " V B 2 "VAL " " CA " 6 0 2 1 5628 13.66 + 5628 2 7.166000 6.516000 10.178000 156 " " V B 2 "VAL " " C " 6 0 2 1 5629 13.66 + 5629 15 7.733000 6.252000 11.238000 156 " " V B 2 "VAL " " O " 8 0 2 1 5630 2.48 + 5630 3 7.225000 9.028000 10.041000 156 " " V B 2 "VAL " " CB " 6 0 2 1 5631 2.48 + 5631 3 8.307000 8.987000 8.939000 156 " " V B 2 "VAL " " CG1" 6 0 2 1 5632 2.48 + 5632 3 6.370000 10.291000 9.879000 156 " " V B 2 "VAL " " CG2" 6 0 2 1 5633 2.48 + 5633 43 5.605000 8.131000 12.007000 156 " " V B 2 "VAL " " H " 1 0 2 1 5634 13.66 + 5634 41 5.817000 7.763000 9.070000 156 " " V B 2 "VAL " " HA " 1 0 2 1 5635 13.66 + 5635 41 7.742000 9.107000 10.999000 156 " " V B 2 "VAL " " HB " 1 0 2 1 5636 2.48 + 5636 41 8.802000 9.951000 8.833000 156 " " V B 2 "VAL " "HG11" 1 0 2 1 5637 2.48 + 5637 41 9.083000 8.250000 9.153000 156 " " V B 2 "VAL " "HG12" 1 0 2 1 5638 2.48 + 5638 41 7.874000 8.741000 7.968000 156 " " V B 2 "VAL " "HG13" 1 0 2 1 5639 2.48 + 5639 41 6.987000 11.149000 9.623000 156 " " V B 2 "VAL " "HG21" 1 0 2 1 5640 2.48 + 5640 41 5.629000 10.171000 9.093000 156 " " V B 2 "VAL " "HG22" 1 0 2 1 5641 2.48 + 5641 41 5.828000 10.524000 10.797000 156 " " V B 2 "VAL " "HG23" 1 0 2 1 5642 2.48 + 5642 25 7.212000 5.772000 9.072000 157 " " T B 2 "THR " " N " 7 0 2 1 5643 9.8 + 5643 3 7.812000 4.454000 8.932000 157 " " T B 2 "THR " " CA " 6 0 2 1 5644 9.8 + 5644 2 8.597000 4.394000 7.603000 157 " " T B 2 "THR " " C " 6 0 2 1 5645 9.8 + 5645 15 8.359000 5.223000 6.728000 157 " " T B 2 "THR " " O " 8 0 2 1 5646 21.52 + 5646 3 6.697000 3.368000 9.043000 157 " " T B 2 "THR " " CB " 6 0 2 1 5647 21.52 + 5647 16 7.134000 2.101000 8.617000 157 " " T B 2 "THR " " OG1" 8 0 2 1 5648 21.52 + 5648 3 5.419000 3.654000 8.240000 157 " " T B 2 "THR " " CG2" 6 0 2 1 5649 21.52 + 5649 43 6.722000 6.098000 8.249000 157 " " T B 2 "THR " " H " 1 0 2 1 5650 9.8 + 5650 41 8.534000 4.297000 9.736000 157 " " T B 2 "THR " " HA " 1 0 2 1 5651 9.8 + 5651 41 6.423000 3.266000 10.094000 157 " " T B 2 "THR " " HB " 1 0 2 1 5652 21.52 + 5652 42 7.154000 2.098000 7.657000 157 " " T B 2 "THR " " HG1" 1 0 2 1 5653 21.52 + 5653 41 4.717000 2.820000 8.294000 157 " " T B 2 "THR " "HG21" 1 0 2 1 5654 21.52 + 5654 41 4.896000 4.535000 8.611000 157 " " T B 2 "THR " "HG22" 1 0 2 1 5655 21.52 + 5655 41 5.661000 3.818000 7.195000 157 " " T B 2 "THR " "HG23" 1 0 2 1 5656 21.52 + 5656 25 9.557000 3.459000 7.497000 158 " " W B 2 "TRP " " N " 7 0 2 1 5657 19.65 + 5657 3 10.471000 3.338000 6.358000 158 " " W B 2 "TRP " " CA " 6 0 2 1 5658 19.65 + 5658 2 10.435000 1.923000 5.775000 158 " " W B 2 "TRP " " C " 6 0 2 1 5659 19.65 + 5659 15 10.628000 0.954000 6.510000 158 " " W B 2 "TRP " " O " 8 0 2 1 5660 25.1 + 5660 3 11.893000 3.717000 6.794000 158 " " W B 2 "TRP " " CB " 6 0 2 1 5661 25.1 + 5661 2 12.115000 5.170000 7.067000 158 " " W B 2 "TRP " " CG " 6 0 2 1 5662 25.1 + 5662 2 11.968000 5.791000 8.258000 158 " " W B 2 "TRP " " CD1" 6 0 2 1 5663 25.1 + 5663 2 12.465000 6.211000 6.112000 158 " " W B 2 "TRP " " CD2" 6 0 2 1 5664 25.1 + 5664 25 12.265000 7.130000 8.118000 158 " " W B 2 "TRP " " NE1" 7 0 2 1 5665 25.1 + 5665 2 12.594000 7.446000 6.817000 158 " " W B 2 "TRP " " CE2" 6 0 2 1 5666 25.1 + 5666 2 12.707000 6.232000 4.720000 158 " " W B 2 "TRP " " CE3" 6 0 2 1 5667 25.1 + 5667 2 12.980000 8.635000 6.177000 158 " " W B 2 "TRP " " CZ2" 6 0 2 1 5668 25.1 + 5668 2 13.094000 7.418000 4.069000 158 " " W B 2 "TRP " " CZ3" 6 0 2 1 5669 25.1 + 5669 2 13.245000 8.611000 4.795000 158 " " W B 2 "TRP " " CH2" 6 0 2 1 5670 25.1 + 5670 43 9.703000 2.803000 8.251000 158 " " W B 2 "TRP " " H " 1 0 2 1 5671 19.65 + 5671 41 10.179000 4.023000 5.562000 158 " " W B 2 "TRP " " HA " 1 0 2 1 5672 19.65 + 5672 41 12.609000 3.428000 6.023000 158 " " W B 2 "TRP " " HB3" 1 0 2 1 5673 25.1 + 5673 41 12.167000 3.164000 7.689000 158 " " W B 2 "TRP " " HB2" 1 0 2 1 5674 25.1 + 5674 41 11.677000 5.297000 9.173000 158 " " W B 2 "TRP " " HD1" 1 0 2 1 5675 25.1 + 5675 43 12.222000 7.780000 8.897000 158 " " W B 2 "TRP " " HE1" 1 0 2 1 5676 25.1 + 5676 41 12.603000 5.320000 4.153000 158 " " W B 2 "TRP " " HE3" 1 0 2 1 5677 25.1 + 5677 41 13.062000 9.551000 6.742000 158 " " W B 2 "TRP " " HZ2" 1 0 2 1 5678 25.1 + 5678 41 13.258000 7.421000 3.003000 158 " " W B 2 "TRP " " HZ3" 1 0 2 1 5679 25.1 + 5679 41 13.537000 9.504000 4.270000 158 " " W B 2 "TRP " " HH2" 1 0 2 1 5680 25.1 + 5680 25 10.177000 1.848000 4.456000 159 " " N B 2 "ASN " " N " 7 0 0 1 5681 4.62 + 5681 3 9.956000 0.639000 3.643000 159 " " N B 2 "ASN " " CA " 6 0 0 1 5682 4.62 + 5682 2 8.830000 -0.238000 4.219000 159 " " N B 2 "ASN " " C " 6 0 0 1 5683 4.62 + 5683 15 8.952000 -1.462000 4.246000 159 " " N B 2 "ASN " " O " 8 0 0 1 5684 66.78 + 5684 3 11.280000 -0.141000 3.413000 159 " " N B 2 "ASN " " CB " 6 0 0 1 5685 66.78 + 5685 2 12.289000 0.587000 2.522000 159 " " N B 2 "ASN " " CG " 6 0 0 1 5686 66.78 + 5686 15 12.046000 1.706000 2.084000 159 " " N B 2 "ASN " " OD1" 8 0 0 1 5687 66.78 + 5687 25 13.420000 -0.057000 2.230000 159 " " N B 2 "ASN " " ND2" 7 0 0 1 5688 66.78 + 5688 43 10.074000 2.717000 3.946000 159 " " N B 2 "ASN " " H " 1 0 0 1 5689 4.62 + 5689 41 9.600000 1.019000 2.684000 159 " " N B 2 "ASN " " HA " 1 0 0 1 5690 4.62 + 5690 41 11.070000 -1.085000 2.907000 159 " " N B 2 "ASN " " HB3" 1 0 0 1 5691 66.78 + 5691 41 11.748000 -0.400000 4.363000 159 " " N B 2 "ASN " " HB2" 1 0 0 1 5692 66.78 + 5692 43 14.099000 0.369000 1.614000 159 " " N B 2 "ASN " "HD22" 1 0 0 1 5693 66.78 + 5693 43 13.595000 -0.983000 2.593000 159 " " N B 2 "ASN " "HD21" 1 0 0 1 5694 66.78 + 5694 25 7.764000 0.421000 4.703000 160 " " S B 2 "SER " " N " 7 0 0 1 5695 44.72 + 5695 3 6.611000 -0.169000 5.389000 160 " " S B 2 "SER " " CA " 6 0 0 1 5696 44.72 + 5696 2 7.003000 -0.936000 6.673000 160 " " S B 2 "SER " " C " 6 0 0 1 5697 44.72 + 5697 15 6.397000 -1.958000 6.991000 160 " " S B 2 "SER " " O " 8 0 0 1 5698 19.4 + 5698 3 5.764000 -1.003000 4.400000 160 " " S B 2 "SER " " CB " 6 0 0 1 5699 19.4 + 5699 16 5.212000 -0.159000 3.409000 160 " " S B 2 "SER " " OG " 8 0 0 1 5700 19.4 + 5700 43 7.744000 1.430000 4.636000 160 " " S B 2 "SER " " H " 1 0 0 1 5701 44.72 + 5701 41 5.999000 0.666000 5.732000 160 " " S B 2 "SER " " HA " 1 0 0 1 5702 44.72 + 5702 41 4.931000 -1.485000 4.913000 160 " " S B 2 "SER " " HB3" 1 0 0 1 5703 19.4 + 5703 41 6.345000 -1.794000 3.927000 160 " " S B 2 "SER " " HB2" 1 0 0 1 5704 19.4 + 5704 42 4.683000 -0.692000 2.811000 160 " " S B 2 "SER " " HG " 1 0 0 1 5705 19.4 + 5705 25 8.015000 -0.417000 7.388000 161 " " G B 2 "GLY " " N " 7 0 0 1 5706 43.1 + 5706 3 8.464000 -0.905000 8.690000 161 " " G B 2 "GLY " " CA " 6 0 0 1 5707 43.1 + 5707 2 9.600000 -1.930000 8.580000 161 " " G B 2 "GLY " " C " 6 0 0 1 5708 43.1 + 5708 15 10.147000 -2.309000 9.615000 161 " " G B 2 "GLY " " O " 8 0 0 1 5709 65.62 + 5709 43 8.498000 0.395000 7.029000 161 " " G B 2 "GLY " " H " 1 0 0 1 5710 43.1 + 5710 41 7.636000 -1.340000 9.253000 161 " " G B 2 "GLY " " HA3" 1 0 0 1 5711 43.1 + 5711 41 8.823000 -0.054000 9.270000 161 " " G B 2 "GLY " " HA2" 1 0 0 1 5712 43.1 + 5712 25 9.972000 -2.361000 7.359000 162 " " S B 2 "SER " " N " 7 0 0 1 5713 36.78 + 5713 3 11.102000 -3.253000 7.079000 162 " " S B 2 "SER " " CA " 6 0 0 1 5714 36.78 + 5714 2 12.441000 -2.654000 7.541000 162 " " S B 2 "SER " " C " 6 0 0 1 5715 36.78 + 5715 15 13.161000 -3.278000 8.321000 162 " " S B 2 "SER " " O " 8 0 0 1 5716 39.21 + 5716 3 11.115000 -3.573000 5.566000 162 " " S B 2 "SER " " CB " 6 0 0 1 5717 39.21 + 5717 16 12.261000 -4.290000 5.156000 162 " " S B 2 "SER " " OG " 8 0 0 1 5718 39.21 + 5718 43 9.472000 -2.019000 6.551000 162 " " S B 2 "SER " " H " 1 0 0 1 5719 36.78 + 5719 41 10.944000 -4.183000 7.629000 162 " " S B 2 "SER " " HA " 1 0 0 1 5720 36.78 + 5720 41 11.107000 -2.650000 4.989000 162 " " S B 2 "SER " " HB3" 1 0 0 1 5721 39.21 + 5721 41 10.222000 -4.130000 5.282000 162 " " S B 2 "SER " " HB2" 1 0 0 1 5722 39.21 + 5722 42 12.247000 -5.156000 5.572000 162 " " S B 2 "SER " " HG " 1 0 0 1 5723 39.21 + 5723 25 12.721000 -1.443000 7.041000 163 " " L B 2 "LEU " " N " 7 0 0 1 5724 17.48 + 5724 3 13.951000 -0.700000 7.259000 163 " " L B 2 "LEU " " CA " 6 0 0 1 5725 17.48 + 5725 2 13.840000 0.079000 8.579000 163 " " L B 2 "LEU " " C " 6 0 0 1 5726 17.48 + 5726 15 13.379000 1.219000 8.580000 163 " " L B 2 "LEU " " O " 8 0 0 1 5727 24.15 + 5727 3 14.145000 0.177000 6.003000 163 " " L B 2 "LEU " " CB " 6 0 0 1 5728 24.15 + 5728 3 15.443000 0.999000 5.930000 163 " " L B 2 "LEU " " CG " 6 0 0 1 5729 24.15 + 5729 3 16.719000 0.138000 5.994000 163 " " L B 2 "LEU " " CD1" 6 0 0 1 5730 24.15 + 5730 3 15.414000 1.900000 4.680000 163 " " L B 2 "LEU " " CD2" 6 0 0 1 5731 24.15 + 5731 43 12.038000 -0.988000 6.452000 163 " " L B 2 "LEU " " H " 1 0 0 1 5732 17.48 + 5732 41 14.780000 -1.403000 7.338000 163 " " L B 2 "LEU " " HA " 1 0 0 1 5733 17.48 + 5733 41 13.294000 0.852000 5.911000 163 " " L B 2 "LEU " " HB3" 1 0 0 1 5734 24.15 + 5734 41 14.107000 -0.465000 5.122000 163 " " L B 2 "LEU " " HB2" 1 0 0 1 5735 24.15 + 5735 41 15.453000 1.635000 6.810000 163 " " L B 2 "LEU " " HG " 1 0 0 1 5736 24.15 + 5736 41 17.400000 0.344000 5.169000 163 " " L B 2 "LEU " "HD11" 1 0 0 1 5737 24.15 + 5737 41 17.268000 0.329000 6.917000 163 " " L B 2 "LEU " "HD12" 1 0 0 1 5738 24.15 + 5738 41 16.503000 -0.929000 5.954000 163 " " L B 2 "LEU " "HD13" 1 0 0 1 5739 24.15 + 5739 41 15.895000 2.859000 4.863000 163 " " L B 2 "LEU " "HD21" 1 0 0 1 5740 24.15 + 5740 41 15.923000 1.437000 3.835000 163 " " L B 2 "LEU " "HD22" 1 0 0 1 5741 24.15 + 5741 41 14.394000 2.110000 4.355000 163 " " L B 2 "LEU " "HD23" 1 0 0 1 5742 24.15 + 5742 25 14.199000 -0.591000 9.685000 164 " " S B 2 "SER " " N " 7 0 0 1 5743 21.33 + 5743 3 13.931000 -0.133000 11.050000 164 " " S B 2 "SER " " CA " 6 0 0 1 5744 21.33 + 5744 2 15.184000 0.300000 11.834000 164 " " S B 2 "SER " " C " 6 0 0 1 5745 21.33 + 5745 15 15.042000 1.132000 12.730000 164 " " S B 2 "SER " " O " 8 0 0 1 5746 49.23 + 5746 3 13.150000 -1.244000 11.787000 164 " " S B 2 "SER " " CB " 6 0 0 1 5747 49.23 + 5747 16 13.916000 -2.422000 11.970000 164 " " S B 2 "SER " " OG " 8 0 0 1 5748 49.23 + 5748 43 14.541000 -1.537000 9.596000 164 " " S B 2 "SER " " H " 1 0 0 1 5749 21.33 + 5749 41 13.274000 0.738000 11.021000 164 " " S B 2 "SER " " HA " 1 0 0 1 5750 21.33 + 5750 41 12.243000 -1.497000 11.238000 164 " " S B 2 "SER " " HB3" 1 0 0 1 5751 49.23 + 5751 41 12.829000 -0.891000 12.767000 164 " " S B 2 "SER " " HB2" 1 0 0 1 5752 49.23 + 5752 42 13.835000 -2.964000 11.181000 164 " " S B 2 "SER " " HG " 1 0 0 1 5753 49.23 + 5753 25 16.363000 -0.264000 11.512000 165 " " S B 2 "SER " " N " 7 0 0 1 5754 32.73 + 5754 3 17.590000 -0.146000 12.311000 165 " " S B 2 "SER " " CA " 6 0 0 1 5755 32.73 + 5755 2 18.108000 1.294000 12.509000 165 " " S B 2 "SER " " C " 6 0 0 1 5756 32.73 + 5756 15 18.399000 1.670000 13.644000 165 " " S B 2 "SER " " O " 8 0 0 1 5757 111.62 + 5757 3 18.671000 -1.073000 11.713000 165 " " S B 2 "SER " " CB " 6 0 0 1 5758 111.62 + 5758 16 19.848000 -1.101000 12.499000 165 " " S B 2 "SER " " OG " 8 0 0 1 5759 111.62 + 5759 43 16.393000 -0.928000 10.753000 165 " " S B 2 "SER " " H " 1 0 0 1 5760 32.73 + 5760 41 17.344000 -0.532000 13.302000 165 " " S B 2 "SER " " HA " 1 0 0 1 5761 32.73 + 5761 41 18.933000 -0.760000 10.701000 165 " " S B 2 "SER " " HB3" 1 0 0 1 5762 111.62 + 5762 41 18.293000 -2.093000 11.640000 165 " " S B 2 "SER " " HB2" 1 0 0 1 5763 111.62 + 5763 42 20.259000 -0.233000 12.475000 165 " " S B 2 "SER " " HG " 1 0 0 1 5764 111.62 + 5764 25 18.223000 2.060000 11.412000 166 " " G B 2 "GLY " " N " 7 0 0 1 5765 23.32 + 5765 3 18.862000 3.379000 11.404000 166 " " G B 2 "GLY " " CA " 6 0 0 1 5766 23.32 + 5766 2 17.880000 4.543000 11.609000 166 " " G B 2 "GLY " " C " 6 0 0 1 5767 23.32 + 5767 15 18.292000 5.686000 11.417000 166 " " G B 2 "GLY " " O " 8 0 0 1 5768 43.45 + 5768 43 17.934000 1.688000 10.519000 166 " " G B 2 "GLY " " H " 1 0 0 1 5769 23.32 + 5769 41 19.349000 3.509000 10.438000 166 " " G B 2 "GLY " " HA3" 1 0 0 1 5770 23.32 + 5770 41 19.651000 3.439000 12.156000 166 " " G B 2 "GLY " " HA2" 1 0 0 1 5771 23.32 + 5771 25 16.604000 4.278000 11.940000 167 " " V B 2 "VAL " " N " 7 0 0 1 5772 19.14 + 5772 3 15.540000 5.284000 12.006000 167 " " V B 2 "VAL " " CA " 6 0 0 1 5773 19.14 + 5773 2 15.590000 6.115000 13.307000 167 " " V B 2 "VAL " " C " 6 0 0 1 5774 19.14 + 5774 15 15.812000 5.561000 14.384000 167 " " V B 2 "VAL " " O " 8 0 0 1 5775 24.61 + 5775 3 14.136000 4.622000 11.876000 167 " " V B 2 "VAL " " CB " 6 0 0 1 5776 24.61 + 5776 3 12.954000 5.614000 11.960000 167 " " V B 2 "VAL " " CG1" 6 0 0 1 5777 24.61 + 5777 3 14.018000 3.824000 10.563000 167 " " V B 2 "VAL " " CG2" 6 0 0 1 5778 24.61 + 5778 43 16.324000 3.324000 12.119000 167 " " V B 2 "VAL " " H " 1 0 0 1 5779 19.14 + 5779 41 15.657000 5.963000 11.163000 167 " " V B 2 "VAL " " HA " 1 0 0 1 5780 19.14 + 5780 41 14.017000 3.907000 12.692000 167 " " V B 2 "VAL " " HB " 1 0 0 1 5781 24.61 + 5781 41 12.007000 5.119000 11.746000 167 " " V B 2 "VAL " "HG11" 1 0 0 1 5782 24.61 + 5782 41 12.853000 6.055000 12.952000 167 " " V B 2 "VAL " "HG12" 1 0 0 1 5783 24.61 + 5783 41 13.071000 6.427000 11.242000 167 " " V B 2 "VAL " "HG13" 1 0 0 1 5784 24.61 + 5784 41 13.040000 3.353000 10.470000 167 " " V B 2 "VAL " "HG21" 1 0 0 1 5785 24.61 + 5785 41 14.155000 4.473000 9.697000 167 " " V B 2 "VAL " "HG22" 1 0 0 1 5786 24.61 + 5786 41 14.760000 3.029000 10.499000 167 " " V B 2 "VAL " "HG23" 1 0 0 1 5787 24.61 + 5787 25 15.330000 7.425000 13.166000 168 " " H B 2 "HIS " " N " 7 0 2 1 5788 24.45 + 5788 3 15.126000 8.372000 14.258000 168 " " H B 2 "HIS " " CA " 6 0 2 1 5789 24.45 + 5789 2 13.974000 9.295000 13.875000 168 " " H B 2 "HIS " " C " 6 0 2 1 5790 24.45 + 5790 15 14.201000 10.247000 13.131000 168 " " H B 2 "HIS " " O " 8 0 2 1 5791 15.98 + 5791 3 16.402000 9.199000 14.525000 168 " " H B 2 "HIS " " CB " 6 0 2 1 5792 15.98 + 5792 2 17.513000 8.416000 15.155000 168 " " H B 2 "HIS " " CG " 6 0 2 1 5793 15.98 + 5793 25 18.669000 8.078000 14.477000 168 " " H B 2 "HIS " " ND1" 7 0 2 1 5794 15.98 + 5794 2 17.652000 7.900000 16.423000 168 " " H B 2 "HIS " " CD2" 6 0 2 1 5795 15.98 + 5795 2 19.417000 7.364000 15.320000 168 " " H B 2 "HIS " " CE1" 6 0 2 1 5796 15.98 + 5796 25 18.870000 7.228000 16.522000 168 " " H B 2 "HIS " " NE2" 7 0 2 1 5797 15.98 + 5797 43 15.204000 7.799000 12.236000 168 " " H B 2 "HIS " " H " 1 0 2 1 5798 24.45 + 5798 41 14.845000 7.847000 15.174000 168 " " H B 2 "HIS " " HA " 1 0 2 1 5799 24.45 + 5799 41 16.177000 10.029000 15.197000 168 " " H B 2 "HIS " " HB3" 1 0 2 1 5800 15.98 + 5800 41 16.771000 9.647000 13.602000 168 " " H B 2 "HIS " " HB2" 1 0 2 1 5801 15.98 + 5801 43 18.898000 8.311000 13.521000 168 " " H B 2 "HIS " " HD1" 1 0 2 1 5802 15.98 + 5802 41 16.973000 7.952000 17.261000 168 " " H B 2 "HIS " " HD2" 1 0 2 1 5803 15.98 + 5803 41 20.373000 6.942000 15.048000 168 " " H B 2 "HIS " " HE1" 1 0 2 1 5804 15.98 + 5804 25 12.768000 9.009000 14.389000 169 " " T B 2 "THR " " N " 7 0 2 1 5805 2.48 + 5805 3 11.626000 9.912000 14.274000 169 " " T B 2 "THR " " CA " 6 0 2 1 5806 2.48 + 5806 2 11.644000 10.891000 15.460000 169 " " T B 2 "THR " " C " 6 0 2 1 5807 2.48 + 5807 15 11.584000 10.465000 16.614000 169 " " T B 2 "THR " " O " 8 0 2 1 5808 27.07 + 5808 3 10.272000 9.163000 14.240000 169 " " T B 2 "THR " " CB " 6 0 2 1 5809 27.07 + 5809 16 10.277000 8.275000 13.137000 169 " " T B 2 "THR " " OG1" 8 0 2 1 5810 27.07 + 5810 3 9.046000 10.084000 14.091000 169 " " T B 2 "THR " " CG2" 6 0 2 1 5811 27.07 + 5811 43 12.644000 8.200000 14.980000 169 " " T B 2 "THR " " H " 1 0 2 1 5812 2.48 + 5812 41 11.697000 10.479000 13.347000 169 " " T B 2 "THR " " HA " 1 0 2 1 5813 2.48 + 5813 41 10.156000 8.559000 15.142000 169 " " T B 2 "THR " " HB " 1 0 2 1 5814 27.07 + 5814 42 9.418000 7.847000 13.083000 169 " " T B 2 "THR " " HG1" 1 0 2 1 5815 27.07 + 5815 41 8.130000 9.508000 13.954000 169 " " T B 2 "THR " "HG21" 1 0 2 1 5816 27.07 + 5816 41 8.899000 10.712000 14.971000 169 " " T B 2 "THR " "HG22" 1 0 2 1 5817 27.07 + 5817 41 9.157000 10.744000 13.231000 169 " " T B 2 "THR " "HG23" 1 0 2 1 5818 27.07 + 5818 25 11.755000 12.183000 15.132000 170 " " F B 2 "PHE " " N " 7 0 2 1 5819 2.48 + 5819 3 11.807000 13.291000 16.080000 170 " " F B 2 "PHE " " CA " 6 0 2 1 5820 2.48 + 5820 2 10.367000 13.730000 16.382000 170 " " F B 2 "PHE " " C " 6 0 2 1 5821 2.48 + 5821 15 9.593000 13.866000 15.434000 170 " " F B 2 "PHE " " O " 8 0 2 1 5822 32.15 + 5822 3 12.590000 14.446000 15.425000 170 " " F B 2 "PHE " " CB " 6 0 2 1 5823 32.15 + 5823 2 13.999000 14.049000 15.037000 170 " " F B 2 "PHE " " CG " 6 0 2 1 5824 32.15 + 5824 2 14.993000 13.936000 16.027000 170 " " F B 2 "PHE " " CD1" 6 0 2 1 5825 32.15 + 5825 2 14.277000 13.581000 13.735000 170 " " F B 2 "PHE " " CD2" 6 0 2 1 5826 32.15 + 5826 2 16.222000 13.388000 15.699000 170 " " F B 2 "PHE " " CE1" 6 0 2 1 5827 32.15 + 5827 2 15.522000 13.060000 13.426000 170 " " F B 2 "PHE " " CE2" 6 0 2 1 5828 32.15 + 5828 2 16.490000 12.953000 14.410000 170 " " F B 2 "PHE " " CZ " 6 0 2 1 5829 32.15 + 5829 43 11.778000 12.445000 14.154000 170 " " F B 2 "PHE " " H " 1 0 2 1 5830 2.48 + 5830 41 12.341000 12.956000 16.969000 170 " " F B 2 "PHE " " HA " 1 0 2 1 5831 2.48 + 5831 41 12.658000 15.278000 16.127000 170 " " F B 2 "PHE " " HB3" 1 0 2 1 5832 32.15 + 5832 41 12.068000 14.829000 14.547000 170 " " F B 2 "PHE " " HB2" 1 0 2 1 5833 32.15 + 5833 41 14.791000 14.245000 17.043000 170 " " F B 2 "PHE " " HD1" 1 0 2 1 5834 32.15 + 5834 41 13.521000 13.607000 12.970000 170 " " F B 2 "PHE " " HD2" 1 0 2 1 5835 32.15 + 5835 41 16.967000 13.279000 16.461000 170 " " F B 2 "PHE " " HE1" 1 0 2 1 5836 32.15 + 5836 41 15.722000 12.708000 12.426000 170 " " F B 2 "PHE " " HE2" 1 0 2 1 5837 32.15 + 5837 41 17.443000 12.510000 14.175000 170 " " F B 2 "PHE " " HZ " 1 0 2 1 5838 32.15 + 5838 25 10.016000 13.932000 17.673000 171 " " P B 2 "PRO " " N " 7 0 0 1 5839 9.62 + 5839 3 8.653000 14.337000 18.055000 171 " " P B 2 "PRO " " CA " 6 0 0 1 5840 9.62 + 5840 2 8.247000 15.703000 17.476000 171 " " P B 2 "PRO " " C " 6 0 0 1 5841 9.62 + 5841 15 9.098000 16.564000 17.248000 171 " " P B 2 "PRO " " O " 8 0 0 1 5842 13.94 + 5842 3 8.682000 14.328000 19.592000 171 " " P B 2 "PRO " " CB " 6 0 0 1 5843 13.94 + 5843 3 10.136000 14.565000 19.958000 171 " " P B 2 "PRO " " CG " 6 0 0 1 5844 13.94 + 5844 3 10.896000 13.858000 18.840000 171 " " P B 2 "PRO " " CD " 6 0 0 1 5845 13.94 + 5845 41 7.942000 13.586000 17.704000 171 " " P B 2 "PRO " " HA " 1 0 0 1 5846 9.62 + 5846 41 8.375000 13.344000 19.948000 171 " " P B 2 "PRO " " HB3" 1 0 0 1 5847 13.94 + 5847 41 8.015000 15.059000 20.050000 171 " " P B 2 "PRO " " HB2" 1 0 0 1 5848 13.94 + 5848 41 10.398000 14.205000 20.953000 171 " " P B 2 "PRO " " HG3" 1 0 0 1 5849 13.94 + 5849 41 10.341000 15.635000 19.930000 171 " " P B 2 "PRO " " HG2" 1 0 0 1 5850 13.94 + 5850 41 11.865000 14.331000 18.676000 171 " " P B 2 "PRO " " HD2" 1 0 0 1 5851 13.94 + 5851 41 11.062000 12.809000 19.091000 171 " " P B 2 "PRO " " HD3" 1 0 0 1 5852 13.94 + 5852 25 6.941000 15.837000 17.218000 172 " " A B 2 "ALA " " N " 7 0 0 1 5853 2.48 + 5853 3 6.285000 17.012000 16.653000 172 " " A B 2 "ALA " " CA " 6 0 0 1 5854 2.48 + 5854 2 6.576000 18.307000 17.428000 172 " " A B 2 "ALA " " C " 6 0 0 1 5855 2.48 + 5855 15 6.629000 18.275000 18.658000 172 " " A B 2 "ALA " " O " 8 0 0 1 5856 6.4 + 5856 3 4.788000 16.718000 16.694000 172 " " A B 2 "ALA " " CB " 6 0 0 1 5857 6.4 + 5857 43 6.323000 15.070000 17.439000 172 " " A B 2 "ALA " " H " 1 0 0 1 5858 2.48 + 5858 41 6.610000 17.113000 15.616000 172 " " A B 2 "ALA " " HA " 1 0 0 1 5859 2.48 + 5859 41 4.229000 17.389000 16.054000 172 " " A B 2 "ALA " " HB1" 1 0 0 1 5860 6.4 + 5860 41 4.591000 15.701000 16.357000 172 " " A B 2 "ALA " " HB2" 1 0 0 1 5861 6.4 + 5861 41 4.385000 16.810000 17.703000 172 " " A B 2 "ALA " " HB3" 1 0 0 1 5862 6.4 + 5862 25 6.733000 19.419000 16.694000 173 " " V B 2 "VAL " " N " 7 0 2 1 5863 15.14 + 5863 3 6.921000 20.747000 17.275000 173 " " V B 2 "VAL " " CA " 6 0 2 1 5864 15.14 + 5864 2 5.911000 21.706000 16.644000 173 " " V B 2 "VAL " " C " 6 0 2 1 5865 15.14 + 5865 15 5.921000 21.895000 15.428000 173 " " V B 2 "VAL " " O " 8 0 2 1 5866 18.84 + 5866 3 8.353000 21.305000 17.050000 173 " " V B 2 "VAL " " CB " 6 0 2 1 5867 18.84 + 5867 3 8.526000 22.765000 17.519000 173 " " V B 2 "VAL " " CG1" 6 0 2 1 5868 18.84 + 5868 3 9.397000 20.434000 17.762000 173 " " V B 2 "VAL " " CG2" 6 0 2 1 5869 18.84 + 5869 43 6.717000 19.366000 15.685000 173 " " V B 2 "VAL " " H " 1 0 2 1 5870 15.14 + 5870 41 6.736000 20.722000 18.351000 173 " " V B 2 "VAL " " HA " 1 0 2 1 5871 15.14 + 5871 41 8.583000 21.272000 15.984000 173 " " V B 2 "VAL " " HB " 1 0 2 1 5872 18.84 + 5872 41 9.575000 23.060000 17.501000 173 " " V B 2 "VAL " "HG11" 1 0 2 1 5873 18.84 + 5873 41 7.979000 23.473000 16.896000 173 " " V B 2 "VAL " "HG12" 1 0 2 1 5874 18.84 + 5874 41 8.177000 22.891000 18.544000 173 " " V B 2 "VAL " "HG13" 1 0 2 1 5875 18.84 + 5875 41 10.399000 20.838000 17.617000 173 " " V B 2 "VAL " "HG21" 1 0 2 1 5876 18.84 + 5876 41 9.211000 20.384000 18.835000 173 " " V B 2 "VAL " "HG22" 1 0 2 1 5877 18.84 + 5877 41 9.397000 19.415000 17.375000 173 " " V B 2 "VAL " "HG23" 1 0 2 1 5878 18.84 + 5878 25 5.070000 22.291000 17.508000 174 " " L B 2 "LEU " " N " 7 0 2 1 5879 42.87 + 5879 3 4.006000 23.213000 17.141000 174 " " L B 2 "LEU " " CA " 6 0 2 1 5880 42.87 + 5880 2 4.572000 24.581000 16.720000 174 " " L B 2 "LEU " " C " 6 0 2 1 5881 42.87 + 5881 15 5.444000 25.123000 17.399000 174 " " L B 2 "LEU " " O " 8 0 2 1 5882 52.33 + 5882 3 3.024000 23.303000 18.334000 174 " " L B 2 "LEU " " CB " 6 0 2 1 5883 52.33 + 5883 3 1.616000 23.818000 17.980000 174 " " L B 2 "LEU " " CG " 6 0 2 1 5884 52.33 + 5884 3 0.970000 22.971000 16.876000 174 " " L B 2 "LEU " " CD1" 6 0 2 1 5885 52.33 + 5885 3 0.715000 23.891000 19.229000 174 " " L B 2 "LEU " " CD2" 6 0 2 1 5886 52.33 + 5886 43 5.155000 22.089000 18.494000 174 " " L B 2 "LEU " " H " 1 0 2 1 5887 42.87 + 5887 41 3.500000 22.772000 16.283000 174 " " L B 2 "LEU " " HA " 1 0 2 1 5888 42.87 + 5888 41 3.461000 23.919000 19.122000 174 " " L B 2 "LEU " " HB3" 1 0 2 1 5889 52.33 + 5889 41 2.907000 22.309000 18.770000 174 " " L B 2 "LEU " " HB2" 1 0 2 1 5890 52.33 + 5890 41 1.719000 24.836000 17.600000 174 " " L B 2 "LEU " " HG " 1 0 2 1 5891 52.33 + 5891 41 -0.105000 22.856000 17.011000 174 " " L B 2 "LEU " "HD11" 1 0 2 1 5892 52.33 + 5892 41 1.150000 23.441000 15.915000 174 " " L B 2 "LEU " "HD12" 1 0 2 1 5893 52.33 + 5893 41 1.394000 21.974000 16.816000 174 " " L B 2 "LEU " "HD13" 1 0 2 1 5894 52.33 + 5894 41 0.247000 24.872000 19.310000 174 " " L B 2 "LEU " "HD21" 1 0 2 1 5895 52.33 + 5895 41 -0.083000 23.149000 19.216000 174 " " L B 2 "LEU " "HD22" 1 0 2 1 5896 52.33 + 5896 41 1.280000 23.729000 20.148000 174 " " L B 2 "LEU " "HD23" 1 0 2 1 5897 52.33 + 5897 25 4.064000 25.092000 15.591000 175 " " Q B 2 "GLN " " N " 7 0 2 1 5898 48.89 + 5898 3 4.504000 26.321000 14.943000 175 " " Q B 2 "GLN " " CA " 6 0 2 1 5899 48.89 + 5899 2 3.319000 26.828000 14.106000 175 " " Q B 2 "GLN " " C " 6 0 2 1 5900 48.89 + 5900 15 3.156000 26.390000 12.967000 175 " " Q B 2 "GLN " " O " 8 0 2 1 5901 103.34 + 5901 3 5.771000 26.030000 14.096000 175 " " Q B 2 "GLN " " CB " 6 0 2 1 5902 103.34 + 5902 3 6.383000 27.276000 13.413000 175 " " Q B 2 "GLN " " CG " 6 0 2 1 5903 103.34 + 5903 2 7.355000 26.931000 12.279000 175 " " Q B 2 "GLN " " CD " 6 0 2 1 5904 103.34 + 5904 15 7.064000 26.085000 11.437000 175 " " Q B 2 "GLN " " OE1" 8 0 2 1 5905 103.34 + 5905 25 8.501000 27.613000 12.221000 175 " " Q B 2 "GLN " " NE2" 7 0 2 1 5906 103.34 + 5906 43 3.373000 24.560000 15.075000 175 " " Q B 2 "GLN " " H " 1 0 2 1 5907 48.89 + 5907 41 4.745000 27.069000 15.701000 175 " " Q B 2 "GLN " " HA " 1 0 2 1 5908 48.89 + 5908 41 5.524000 25.270000 13.352000 175 " " Q B 2 "GLN " " HB3" 1 0 2 1 5909 103.34 + 5909 41 6.536000 25.577000 14.728000 175 " " Q B 2 "GLN " " HB2" 1 0 2 1 5910 103.34 + 5910 41 6.872000 27.903000 14.160000 175 " " Q B 2 "GLN " " HG3" 1 0 2 1 5911 103.34 + 5911 41 5.602000 27.889000 12.964000 175 " " Q B 2 "GLN " " HG2" 1 0 2 1 5912 103.34 + 5912 43 9.161000 27.425000 11.481000 175 " " Q B 2 "GLN " "HE22" 1 0 2 1 5913 103.34 + 5913 43 8.716000 28.317000 12.911000 175 " " Q B 2 "GLN " "HE21" 1 0 2 1 5914 103.34 + 5914 25 2.510000 27.728000 14.696000 176 " " S B 2 "SER " " N " 7 0 0 1 5915 67.65 + 5915 3 1.317000 28.346000 14.097000 176 " " S B 2 "SER " " CA " 6 0 0 1 5916 67.65 + 5916 2 0.208000 27.312000 13.818000 176 " " S B 2 "SER " " C " 6 0 0 1 5917 67.65 + 5917 15 -0.082000 27.049000 12.651000 176 " " S B 2 "SER " " O " 8 0 0 1 5918 59.15 + 5918 3 1.718000 29.184000 12.848000 176 " " S B 2 "SER " " CB " 6 0 0 1 5919 59.15 + 5919 16 0.608000 29.789000 12.215000 176 " " S B 2 "SER " " OG " 8 0 0 1 5920 59.15 + 5920 43 2.721000 28.022000 15.639000 176 " " S B 2 "SER " " H " 1 0 0 1 5921 67.65 + 5921 41 0.917000 29.036000 14.840000 176 " " S B 2 "SER " " HA " 1 0 0 1 5922 67.65 + 5922 41 2.222000 28.579000 12.095000 176 " " S B 2 "SER " " HB3" 1 0 0 1 5923 59.15 + 5923 41 2.418000 29.969000 13.134000 176 " " S B 2 "SER " " HB2" 1 0 0 1 5924 59.15 + 5924 42 0.062000 29.090000 11.843000 176 " " S B 2 "SER " " HG " 1 0 0 1 5925 59.15 + 5925 25 -0.355000 26.712000 14.890000 177 " " D B 2 "ASP " " N " 7 0 0 1 5926 71.09 + 5926 3 -1.392000 25.658000 14.878000 177 " " D B 2 "ASP " " CA " 6 0 0 1 5927 71.09 + 5927 2 -0.880000 24.290000 14.374000 177 " " D B 2 "ASP " " C " 6 0 0 1 5928 71.09 + 5928 15 -1.369000 23.256000 14.817000 177 " " D B 2 "ASP " " O " 8 0 0 1 5929 91.66 + 5929 3 -2.693000 26.106000 14.142000 177 " " D B 2 "ASP " " CB " 6 0 0 1 5930 91.66 + 5930 2 -3.772000 25.032000 13.954000 177 " " D B 2 "ASP " " CG " 6 0 0 1 5931 91.66 + 5931 15 -4.107000 24.368000 14.959000 177 " " D B 2 "ASP " " OD1" 8 0 0 1 5932 91.66 + 5932 18 -4.290000 24.942000 12.819000 177 " " D B 2 "ASP " " OD2" 8 -1 0 1 5933 91.66 + 5933 43 -0.039000 26.982000 15.810000 177 " " D B 2 "ASP " " H " 1 0 0 1 5934 71.09 + 5934 41 -1.653000 25.508000 15.926000 177 " " D B 2 "ASP " " HA " 1 0 0 1 5935 71.09 + 5935 41 -2.447000 26.470000 13.146000 177 " " D B 2 "ASP " " HB3" 1 0 0 1 5936 91.66 + 5936 41 -3.147000 26.952000 14.658000 177 " " D B 2 "ASP " " HB2" 1 0 0 1 5937 91.66 + 5937 25 0.098000 24.305000 13.468000 178 " " L B 2 "LEU " " N " 7 0 2 1 5938 18.3 + 5938 3 0.534000 23.175000 12.678000 178 " " L B 2 "LEU " " CA " 6 0 2 1 5939 18.3 + 5939 2 1.879000 22.675000 13.205000 178 " " L B 2 "LEU " " C " 6 0 2 1 5940 18.3 + 5940 15 2.740000 23.474000 13.567000 178 " " L B 2 "LEU " " O " 8 0 2 1 5941 22.65 + 5941 3 0.654000 23.660000 11.223000 178 " " L B 2 "LEU " " CB " 6 0 2 1 5942 22.65 + 5942 3 -0.656000 24.240000 10.630000 178 " " L B 2 "LEU " " CG " 6 0 2 1 5943 22.65 + 5943 3 -0.391000 24.952000 9.295000 178 " " L B 2 "LEU " " CD1" 6 0 2 1 5944 22.65 + 5944 3 -1.785000 23.200000 10.517000 178 " " L B 2 "LEU " " CD2" 6 0 2 1 5945 22.65 + 5945 43 0.460000 25.202000 13.172000 178 " " L B 2 "LEU " " H " 1 0 2 1 5946 18.3 + 5946 41 -0.198000 22.369000 12.733000 178 " " L B 2 "LEU " " HA " 1 0 2 1 5947 18.3 + 5947 41 1.000000 22.836000 10.606000 178 " " L B 2 "LEU " " HB3" 1 0 2 1 5948 22.65 + 5948 41 1.435000 24.422000 11.173000 178 " " L B 2 "LEU " " HB2" 1 0 2 1 5949 22.65 + 5949 41 -1.021000 25.022000 11.293000 178 " " L B 2 "LEU " " HG " 1 0 2 1 5950 22.65 + 5950 41 -1.127000 25.738000 9.123000 178 " " L B 2 "LEU " "HD11" 1 0 2 1 5951 22.65 + 5951 41 0.593000 25.420000 9.271000 178 " " L B 2 "LEU " "HD12" 1 0 2 1 5952 22.65 + 5952 41 -0.443000 24.259000 8.455000 178 " " L B 2 "LEU " "HD13" 1 0 2 1 5953 22.65 + 5953 41 -2.285000 23.249000 9.551000 178 " " L B 2 "LEU " "HD21" 1 0 2 1 5954 22.65 + 5954 41 -1.417000 22.183000 10.641000 178 " " L B 2 "LEU " "HD22" 1 0 2 1 5955 22.65 + 5955 41 -2.544000 23.368000 11.281000 178 " " L B 2 "LEU " "HD23" 1 0 2 1 5956 22.65 + 5956 25 2.030000 21.349000 13.226000 179 " " Y B 2 "TYR " " N " 7 0 2 1 5957 9.06 + 5957 3 3.240000 20.679000 13.676000 179 " " Y B 2 "TYR " " CA " 6 0 2 1 5958 9.06 + 5958 2 4.229000 20.479000 12.524000 179 " " Y B 2 "TYR " " C " 6 0 2 1 5959 9.06 + 5959 15 3.831000 20.418000 11.358000 179 " " Y B 2 "TYR " " O " 8 0 2 1 5960 38.74 + 5960 3 2.860000 19.315000 14.260000 179 " " Y B 2 "TYR " " CB " 6 0 2 1 5961 38.74 + 5961 2 1.992000 19.352000 15.502000 179 " " Y B 2 "TYR " " CG " 6 0 2 1 5962 38.74 + 5962 2 0.596000 19.199000 15.373000 179 " " Y B 2 "TYR " " CD1" 6 0 2 1 5963 38.74 + 5963 2 2.564000 19.518000 16.781000 179 " " Y B 2 "TYR " " CD2" 6 0 2 1 5964 38.74 + 5964 2 -0.223000 19.218000 16.515000 179 " " Y B 2 "TYR " " CE1" 6 0 2 1 5965 38.74 + 5965 2 1.742000 19.534000 17.925000 179 " " Y B 2 "TYR " " CE2" 6 0 2 1 5966 38.74 + 5966 2 0.346000 19.393000 17.789000 179 " " Y B 2 "TYR " " CZ " 6 0 2 1 5967 38.74 + 5967 16 -0.463000 19.419000 18.887000 179 " " Y B 2 "TYR " " OH " 8 0 2 1 5968 38.74 + 5968 43 1.285000 20.754000 12.885000 179 " " Y B 2 "TYR " " H " 1 0 2 1 5969 9.06 + 5969 41 3.708000 21.270000 14.460000 179 " " Y B 2 "TYR " " HA " 1 0 2 1 5970 9.06 + 5970 41 3.762000 18.750000 14.484000 179 " " Y B 2 "TYR " " HB3" 1 0 2 1 5971 38.74 + 5971 41 2.328000 18.746000 13.500000 179 " " Y B 2 "TYR " " HB2" 1 0 2 1 5972 38.74 + 5972 41 0.149000 19.059000 14.400000 179 " " Y B 2 "TYR " " HD1" 1 0 2 1 5973 38.74 + 5973 41 3.633000 19.632000 16.888000 179 " " Y B 2 "TYR " " HD2" 1 0 2 1 5974 38.74 + 5974 41 -1.289000 19.084000 16.417000 179 " " Y B 2 "TYR " " HE1" 1 0 2 1 5975 38.74 + 5975 41 2.186000 19.663000 18.901000 179 " " Y B 2 "TYR " " HE2" 1 0 2 1 5976 38.74 + 5976 42 0.022000 19.526000 19.709000 179 " " Y B 2 "TYR " " HH " 1 0 2 1 5977 38.74 + 5977 25 5.501000 20.317000 12.907000 180 " " T B 2 "THR " " N " 7 0 2 1 5978 17.1 + 5978 3 6.562000 19.812000 12.053000 180 " " T B 2 "THR " " CA " 6 0 2 1 5979 17.1 + 5979 2 7.250000 18.664000 12.803000 180 " " T B 2 "THR " " C " 6 0 2 1 5980 17.1 + 5980 15 7.886000 18.888000 13.834000 180 " " T B 2 "THR " " O " 8 0 2 1 5981 42.3 + 5981 3 7.607000 20.903000 11.707000 180 " " T B 2 "THR " " CB " 6 0 2 1 5982 42.3 + 5982 16 6.976000 21.904000 10.934000 180 " " T B 2 "THR " " OG1" 8 0 2 1 5983 42.3 + 5983 3 8.837000 20.398000 10.926000 180 " " T B 2 "THR " " CG2" 6 0 2 1 5984 42.3 + 5984 43 5.743000 20.440000 13.881000 180 " " T B 2 "THR " " H " 1 0 2 1 5985 17.1 + 5985 41 6.148000 19.422000 11.124000 180 " " T B 2 "THR " " HA " 1 0 2 1 5986 17.1 + 5986 41 7.951000 21.386000 12.624000 180 " " T B 2 "THR " " HB " 1 0 2 1 5987 42.3 + 5987 42 6.289000 22.309000 11.471000 180 " " T B 2 "THR " " HG1" 1 0 2 1 5988 42.3 + 5988 41 9.432000 21.229000 10.544000 180 " " T B 2 "THR " "HG21" 1 0 2 1 5989 42.3 + 5989 41 9.496000 19.800000 11.557000 180 " " T B 2 "THR " "HG22" 1 0 2 1 5990 42.3 + 5990 41 8.545000 19.776000 10.083000 180 " " T B 2 "THR " "HG23" 1 0 2 1 5991 42.3 + 5991 25 7.098000 17.461000 12.242000 181 " " L B 2 "LEU " " N " 7 0 2 1 5992 36.25 + 5992 3 7.829000 16.253000 12.590000 181 " " L B 2 "LEU " " CA " 6 0 2 1 5993 36.25 + 5993 2 8.894000 16.023000 11.503000 181 " " L B 2 "LEU " " C " 6 0 2 1 5994 36.25 + 5994 15 8.792000 16.545000 10.392000 181 " " L B 2 "LEU " " O " 8 0 2 1 5995 2.48 + 5995 3 6.793000 15.106000 12.737000 181 " " L B 2 "LEU " " CB " 6 0 2 1 5996 2.48 + 5996 3 7.348000 13.670000 12.924000 181 " " L B 2 "LEU " " CG " 6 0 2 1 5997 2.48 + 5997 3 6.539000 12.844000 13.946000 181 " " L B 2 "LEU " " CD1" 6 0 2 1 5998 2.48 + 5998 3 7.449000 12.926000 11.585000 181 " " L B 2 "LEU " " CD2" 6 0 2 1 5999 2.48 + 5999 43 6.569000 17.398000 11.380000 181 " " L B 2 "LEU " " H " 1 0 2 1 6000 36.25 + 6000 41 8.343000 16.377000 13.546000 181 " " L B 2 "LEU " " HA " 1 0 2 1 6001 36.25 + 6001 41 6.095000 15.114000 11.898000 181 " " L B 2 "LEU " " HB3" 1 0 2 1 6002 2.48 + 6002 41 6.186000 15.368000 13.605000 181 " " L B 2 "LEU " " HB2" 1 0 2 1 6003 2.48 + 6003 41 8.355000 13.737000 13.325000 181 " " L B 2 "LEU " " HG " 1 0 2 1 6004 2.48 + 6004 41 6.264000 11.862000 13.559000 181 " " L B 2 "LEU " "HD11" 1 0 2 1 6005 2.48 + 6005 41 7.120000 12.675000 14.853000 181 " " L B 2 "LEU " "HD12" 1 0 2 1 6006 2.48 + 6006 41 5.614000 13.336000 14.247000 181 " " L B 2 "LEU " "HD13" 1 0 2 1 6007 2.48 + 6007 41 7.777000 11.898000 11.735000 181 " " L B 2 "LEU " "HD21" 1 0 2 1 6008 2.48 + 6008 41 6.484000 12.907000 11.081000 181 " " L B 2 "LEU " "HD22" 1 0 2 1 6009 2.48 + 6009 41 8.158000 13.386000 10.900000 181 " " L B 2 "LEU " "HD23" 1 0 2 1 6010 2.48 + 6010 25 9.911000 15.229000 11.834000 182 " " S B 2 "SER " " N " 7 0 2 1 6011 7.13 + 6011 3 10.900000 14.760000 10.875000 182 " " S B 2 "SER " " CA " 6 0 2 1 6012 7.13 + 6012 2 11.318000 13.338000 11.250000 182 " " S B 2 "SER " " C " 6 0 2 1 6013 7.13 + 6013 15 11.160000 12.927000 12.399000 182 " " S B 2 "SER " " O " 8 0 2 1 6014 17.87 + 6014 3 12.061000 15.774000 10.789000 182 " " S B 2 "SER " " CB " 6 0 2 1 6015 17.87 + 6015 16 12.751000 15.875000 12.017000 182 " " S B 2 "SER " " OG " 8 0 2 1 6016 17.87 + 6016 43 9.973000 14.832000 12.761000 182 " " S B 2 "SER " " H " 1 0 2 1 6017 7.13 + 6017 41 10.431000 14.693000 9.892000 182 " " S B 2 "SER " " HA " 1 0 2 1 6018 7.13 + 6018 41 11.695000 16.761000 10.505000 182 " " S B 2 "SER " " HB3" 1 0 2 1 6019 17.87 + 6019 41 12.770000 15.471000 10.017000 182 " " S B 2 "SER " " HB2" 1 0 2 1 6020 17.87 + 6020 42 13.466000 16.514000 11.930000 182 " " S B 2 "SER " " HG " 1 0 2 1 6021 17.87 + 6021 25 11.839000 12.611000 10.258000 183 " " S B 2 "SER " " N " 7 0 2 1 6022 28.95 + 6022 3 12.401000 11.280000 10.435000 183 " " S B 2 "SER " " CA " 6 0 2 1 6023 28.95 + 6023 2 13.683000 11.173000 9.608000 183 " " S B 2 "SER " " C " 6 0 2 1 6024 28.95 + 6024 15 13.814000 11.864000 8.597000 183 " " S B 2 "SER " " O " 8 0 2 1 6025 27.98 + 6025 3 11.350000 10.217000 10.068000 183 " " S B 2 "SER " " CB " 6 0 2 1 6026 27.98 + 6026 16 11.773000 8.918000 10.431000 183 " " S B 2 "SER " " OG " 8 0 2 1 6027 27.98 + 6027 43 11.929000 13.010000 9.331000 183 " " S B 2 "SER " " H " 1 0 2 1 6028 28.95 + 6028 41 12.679000 11.160000 11.477000 183 " " S B 2 "SER " " HA " 1 0 2 1 6029 28.95 + 6029 41 11.140000 10.239000 8.997000 183 " " S B 2 "SER " " HB3" 1 0 2 1 6030 27.98 + 6030 41 10.412000 10.419000 10.588000 183 " " S B 2 "SER " " HB2" 1 0 2 1 6031 27.98 + 6031 42 11.553000 8.775000 11.358000 183 " " S B 2 "SER " " HG " 1 0 2 1 6032 27.98 + 6032 25 14.605000 10.315000 10.065000 184 " " S B 2 "SER " " N " 7 0 2 1 6033 2.48 + 6033 3 15.906000 10.124000 9.442000 184 " " S B 2 "SER " " CA " 6 0 2 1 6034 2.48 + 6034 2 16.341000 8.664000 9.544000 184 " " S B 2 "SER " " C " 6 0 2 1 6035 2.48 + 6035 15 16.840000 8.240000 10.585000 184 " " S B 2 "SER " " O " 8 0 2 1 6036 9.99 + 6036 3 16.922000 11.145000 9.998000 184 " " S B 2 "SER " " CB " 6 0 2 1 6037 9.99 + 6037 16 17.336000 10.904000 11.326000 184 " " S B 2 "SER " " OG " 8 0 2 1 6038 9.99 + 6038 43 14.438000 9.807000 10.923000 184 " " S B 2 "SER " " H " 1 0 2 1 6039 2.48 + 6039 41 15.797000 10.340000 8.383000 184 " " S B 2 "SER " " HA " 1 0 2 1 6040 2.48 + 6040 41 16.479000 12.134000 9.986000 184 " " S B 2 "SER " " HB3" 1 0 2 1 6041 9.99 + 6041 41 17.808000 11.179000 9.364000 184 " " S B 2 "SER " " HB2" 1 0 2 1 6042 9.99 + 6042 42 17.826000 10.077000 11.347000 184 " " S B 2 "SER " " HG " 1 0 2 1 6043 9.99 + 6043 25 16.164000 7.930000 8.437000 185 " " V B 2 "VAL " " N " 7 0 2 1 6044 9.66 + 6044 3 16.746000 6.607000 8.258000 185 " " V B 2 "VAL " " CA " 6 0 2 1 6045 9.66 + 6045 2 18.190000 6.746000 7.753000 185 " " V B 2 "VAL " " C " 6 0 2 1 6046 9.66 + 6046 15 18.469000 7.635000 6.948000 185 " " V B 2 "VAL " " O " 8 0 2 1 6047 17.22 + 6047 3 15.911000 5.770000 7.261000 185 " " V B 2 "VAL " " CB " 6 0 2 1 6048 17.22 + 6048 3 15.997000 6.201000 5.783000 185 " " V B 2 "VAL " " CG1" 6 0 2 1 6049 17.22 + 6049 3 16.208000 4.275000 7.380000 185 " " V B 2 "VAL " " CG2" 6 0 2 1 6050 17.22 + 6050 43 15.743000 8.345000 7.619000 185 " " V B 2 "VAL " " H " 1 0 2 1 6051 9.66 + 6051 41 16.760000 6.085000 9.213000 185 " " V B 2 "VAL " " HA " 1 0 2 1 6052 9.66 + 6052 41 14.875000 5.893000 7.570000 185 " " V B 2 "VAL " " HB " 1 0 2 1 6053 17.22 + 6053 41 15.295000 5.628000 5.183000 185 " " V B 2 "VAL " "HG11" 1 0 2 1 6054 17.22 + 6054 41 15.756000 7.257000 5.660000 185 " " V B 2 "VAL " "HG12" 1 0 2 1 6055 17.22 + 6055 41 16.984000 6.023000 5.356000 185 " " V B 2 "VAL " "HG13" 1 0 2 1 6056 17.22 + 6056 41 15.415000 3.739000 6.869000 185 " " V B 2 "VAL " "HG21" 1 0 2 1 6057 17.22 + 6057 41 17.165000 4.001000 6.936000 185 " " V B 2 "VAL " "HG22" 1 0 2 1 6058 17.22 + 6058 41 16.206000 3.940000 8.418000 185 " " V B 2 "VAL " "HG23" 1 0 2 1 6059 17.22 + 6059 25 19.079000 5.870000 8.236000 186 " " T B 2 "THR " " N " 7 0 2 1 6060 23.36 + 6060 3 20.476000 5.849000 7.821000 186 " " T B 2 "THR " " CA " 6 0 2 1 6061 23.36 + 6061 2 20.806000 4.437000 7.319000 186 " " T B 2 "THR " " C " 6 0 2 1 6062 23.36 + 6062 15 20.823000 3.490000 8.106000 186 " " T B 2 "THR " " O " 8 0 2 1 6063 38.27 + 6063 3 21.429000 6.259000 8.972000 186 " " T B 2 "THR " " CB " 6 0 2 1 6064 38.27 + 6064 16 21.081000 7.558000 9.415000 186 " " T B 2 "THR " " OG1" 8 0 2 1 6065 38.27 + 6065 3 22.914000 6.296000 8.575000 186 " " T B 2 "THR " " CG2" 6 0 2 1 6066 38.27 + 6066 43 18.794000 5.167000 8.902000 186 " " T B 2 "THR " " H " 1 0 2 1 6067 23.36 + 6067 41 20.644000 6.535000 6.992000 186 " " T B 2 "THR " " HA " 1 0 2 1 6068 23.36 + 6068 41 21.302000 5.581000 9.818000 186 " " T B 2 "THR " " HB " 1 0 2 1 6069 38.27 + 6069 42 20.189000 7.526000 9.770000 186 " " T B 2 "THR " " HG1" 1 0 2 1 6070 38.27 + 6070 41 23.540000 6.587000 9.419000 186 " " T B 2 "THR " "HG21" 1 0 2 1 6071 38.27 + 6071 41 23.258000 5.322000 8.234000 186 " " T B 2 "THR " "HG22" 1 0 2 1 6072 38.27 + 6072 41 23.093000 7.008000 7.770000 186 " " T B 2 "THR " "HG23" 1 0 2 1 6073 38.27 + 6073 25 21.017000 4.345000 5.999000 187 " " V B 2 "VAL " " N " 7 0 2 1 6074 21.81 + 6074 3 21.270000 3.113000 5.254000 187 " " V B 2 "VAL " " CA " 6 0 2 1 6075 21.81 + 6075 2 22.698000 3.166000 4.671000 187 " " V B 2 "VAL " " C " 6 0 2 1 6076 21.81 + 6076 15 23.165000 4.266000 4.381000 187 " " V B 2 "VAL " " O " 8 0 2 1 6077 12.79 + 6077 3 20.277000 2.995000 4.058000 187 " " V B 2 "VAL " " CB " 6 0 2 1 6078 12.79 + 6078 3 18.818000 3.011000 4.537000 187 " " V B 2 "VAL " " CG1" 6 0 2 1 6079 12.79 + 6079 3 20.465000 4.019000 2.916000 187 " " V B 2 "VAL " " CG2" 6 0 2 1 6080 12.79 + 6080 43 21.021000 5.189000 5.443000 187 " " V B 2 "VAL " " H " 1 0 2 1 6081 21.81 + 6081 41 21.141000 2.255000 5.913000 187 " " V B 2 "VAL " " HA " 1 0 2 1 6082 21.81 + 6082 41 20.427000 2.009000 3.619000 187 " " V B 2 "VAL " " HB " 1 0 2 1 6083 12.79 + 6083 41 18.141000 2.722000 3.733000 187 " " V B 2 "VAL " "HG11" 1 0 2 1 6084 12.79 + 6084 41 18.667000 2.316000 5.363000 187 " " V B 2 "VAL " "HG12" 1 0 2 1 6085 12.79 + 6085 41 18.518000 4.002000 4.878000 187 " " V B 2 "VAL " "HG13" 1 0 2 1 6086 12.79 + 6086 41 19.662000 3.937000 2.186000 187 " " V B 2 "VAL " "HG21" 1 0 2 1 6087 12.79 + 6087 41 20.465000 5.039000 3.299000 187 " " V B 2 "VAL " "HG22" 1 0 2 1 6088 12.79 + 6088 41 21.392000 3.868000 2.365000 187 " " V B 2 "VAL " "HG23" 1 0 2 1 6089 12.79 + 6089 25 23.364000 2.007000 4.459000 188 " " P B 2 "PRO " " N " 7 0 0 1 6090 51.13 + 6090 3 24.624000 1.931000 3.686000 188 " " P B 2 "PRO " " CA " 6 0 0 1 6091 51.13 + 6091 2 24.602000 2.666000 2.332000 188 " " P B 2 "PRO " " C " 6 0 0 1 6092 51.13 + 6092 15 23.607000 2.584000 1.615000 188 " " P B 2 "PRO " " O " 8 0 0 1 6093 31.4 + 6093 3 24.845000 0.424000 3.508000 188 " " P B 2 "PRO " " CB " 6 0 0 1 6094 31.4 + 6094 3 24.168000 -0.205000 4.712000 188 " " P B 2 "PRO " " CG " 6 0 0 1 6095 31.4 + 6095 3 22.953000 0.685000 4.933000 188 " " P B 2 "PRO " " CD " 6 0 0 1 6096 31.4 + 6096 41 25.426000 2.322000 4.303000 188 " " P B 2 "PRO " " HA " 1 0 0 1 6097 51.13 + 6097 41 25.900000 0.158000 3.443000 188 " " P B 2 "PRO " " HB3" 1 0 0 1 6098 31.4 + 6098 41 24.363000 0.076000 2.597000 188 " " P B 2 "PRO " " HB2" 1 0 0 1 6099 31.4 + 6099 41 24.832000 -0.131000 5.576000 188 " " P B 2 "PRO " " HG3" 1 0 0 1 6100 31.4 + 6100 41 23.915000 -1.256000 4.570000 188 " " P B 2 "PRO " " HG2" 1 0 0 1 6101 31.4 + 6101 41 22.105000 0.335000 4.343000 188 " " P B 2 "PRO " " HD2" 1 0 0 1 6102 31.4 + 6102 41 22.668000 0.678000 5.985000 188 " " P B 2 "PRO " " HD3" 1 0 0 1 6103 31.4 + 6103 25 25.703000 3.362000 2.006000 189 " " S B 2 "SER " " N " 7 0 0 1 6104 43.36 + 6104 3 25.929000 4.006000 0.704000 189 " " S B 2 "SER " " CA " 6 0 0 1 6105 43.36 + 6105 2 25.878000 3.025000 -0.487000 189 " " S B 2 "SER " " C " 6 0 0 1 6106 43.36 + 6106 15 25.468000 3.416000 -1.577000 189 " " S B 2 "SER " " O " 8 0 0 1 6107 34.16 + 6107 3 27.258000 4.780000 0.772000 189 " " S B 2 "SER " " CB " 6 0 0 1 6108 34.16 + 6108 16 28.362000 3.912000 0.965000 189 " " S B 2 "SER " " OG " 8 0 0 1 6109 34.16 + 6109 43 26.487000 3.391000 2.642000 189 " " S B 2 "SER " " H " 1 0 0 1 6110 43.36 + 6110 41 25.126000 4.731000 0.556000 189 " " S B 2 "SER " " HA " 1 0 0 1 6111 43.36 + 6111 41 27.225000 5.516000 1.575000 189 " " S B 2 "SER " " HB3" 1 0 0 1 6112 34.16 + 6112 41 27.415000 5.339000 -0.152000 189 " " S B 2 "SER " " HB2" 1 0 0 1 6113 34.16 + 6113 42 29.133000 4.445000 1.175000 189 " " S B 2 "SER " " HG " 1 0 0 1 6114 34.16 + 6114 25 26.225000 1.756000 -0.221000 190 " " S B 2 "SER " " N " 7 0 0 1 6115 2.48 + 6115 3 26.108000 0.605000 -1.112000 190 " " S B 2 "SER " " CA " 6 0 0 1 6116 2.48 + 6116 2 24.663000 0.112000 -1.364000 190 " " S B 2 "SER " " C " 6 0 0 1 6117 2.48 + 6117 15 24.496000 -0.771000 -2.204000 190 " " S B 2 "SER " " O " 8 0 0 1 6118 31.21 + 6118 3 27.007000 -0.509000 -0.533000 190 " " S B 2 "SER " " CB " 6 0 0 1 6119 31.21 + 6119 16 26.537000 -0.966000 0.724000 190 " " S B 2 "SER " " OG " 8 0 0 1 6120 31.21 + 6120 43 26.547000 1.534000 0.710000 190 " " S B 2 "SER " " H " 1 0 0 1 6121 2.48 + 6121 41 26.517000 0.895000 -2.082000 190 " " S B 2 "SER " " HA " 1 0 0 1 6122 2.48 + 6122 41 28.031000 -0.152000 -0.420000 190 " " S B 2 "SER " " HB3" 1 0 0 1 6123 31.21 + 6123 41 27.048000 -1.358000 -1.216000 190 " " S B 2 "SER " " HB2" 1 0 0 1 6124 31.21 + 6124 42 27.093000 -1.695000 1.011000 190 " " S B 2 "SER " " HG " 1 0 0 1 6125 31.21 + 6125 25 23.662000 0.664000 -0.654000 191 " " T B 2 "THR " " N " 7 0 0 1 6126 68.58 + 6126 3 22.250000 0.261000 -0.722000 191 " " T B 2 "THR " " CA " 6 0 0 1 6127 68.58 + 6127 2 21.302000 1.436000 -1.072000 191 " " T B 2 "THR " " C " 6 0 0 1 6128 68.58 + 6128 15 20.088000 1.252000 -1.006000 191 " " T B 2 "THR " " O " 8 0 0 1 6129 66.78 + 6129 3 21.781000 -0.417000 0.597000 191 " " T B 2 "THR " " CB " 6 0 0 1 6130 66.78 + 6130 16 21.659000 0.493000 1.673000 191 " " T B 2 "THR " " OG1" 8 0 0 1 6131 66.78 + 6131 3 22.626000 -1.633000 1.010000 191 " " T B 2 "THR " " CG2" 6 0 0 1 6132 66.78 + 6132 43 23.876000 1.392000 0.015000 191 " " T B 2 "THR " " H " 1 0 0 1 6133 68.58 + 6133 41 22.111000 -0.477000 -1.512000 191 " " T B 2 "THR " " HA " 1 0 0 1 6134 68.58 + 6134 41 20.772000 -0.801000 0.434000 191 " " T B 2 "THR " " HB " 1 0 0 1 6135 66.78 + 6135 42 22.491000 0.966000 1.777000 191 " " T B 2 "THR " " HG1" 1 0 0 1 6136 66.78 + 6136 41 22.275000 -2.056000 1.952000 191 " " T B 2 "THR " "HG21" 1 0 0 1 6137 66.78 + 6137 41 22.559000 -2.417000 0.255000 191 " " T B 2 "THR " "HG22" 1 0 0 1 6138 66.78 + 6138 41 23.680000 -1.391000 1.126000 191 " " T B 2 "THR " "HG23" 1 0 0 1 6139 66.78 + 6139 25 21.836000 2.593000 -1.500000 192 " " W B 2 "TRP " " N " 7 0 0 1 6140 76.17 + 6140 3 21.039000 3.712000 -2.014000 192 " " W B 2 "TRP " " CA " 6 0 0 1 6141 76.17 + 6141 2 21.928000 4.611000 -2.899000 192 " " W B 2 "TRP " " C " 6 0 0 1 6142 76.17 + 6142 15 23.016000 4.967000 -2.445000 192 " " W B 2 "TRP " " O " 8 0 0 1 6143 12.21 + 6143 3 20.418000 4.513000 -0.844000 192 " " W B 2 "TRP " " CB " 6 0 0 1 6144 12.21 + 6144 2 19.583000 5.692000 -1.262000 192 " " W B 2 "TRP " " CG " 6 0 0 1 6145 12.21 + 6145 2 18.266000 5.654000 -1.569000 192 " " W B 2 "TRP " " CD1" 6 0 0 1 6146 12.21 + 6146 2 20.021000 7.056000 -1.556000 192 " " W B 2 "TRP " " CD2" 6 0 0 1 6147 12.21 + 6147 25 17.859000 6.895000 -2.020000 192 " " W B 2 "TRP " " NE1" 7 0 0 1 6148 12.21 + 6148 2 18.903000 7.793000 -2.052000 192 " " W B 2 "TRP " " CE2" 6 0 0 1 6149 12.21 + 6149 2 21.256000 7.744000 -1.477000 192 " " W B 2 "TRP " " CE3" 6 0 0 1 6150 12.21 + 6150 2 19.005000 9.137000 -2.452000 192 " " W B 2 "TRP " " CZ2" 6 0 0 1 6151 12.21 + 6151 2 21.372000 9.090000 -1.877000 192 " " W B 2 "TRP " " CZ3" 6 0 0 1 6152 12.21 + 6152 2 20.250000 9.785000 -2.369000 192 " " W B 2 "TRP " " CH2" 6 0 0 1 6153 12.21 + 6153 43 22.840000 2.706000 -1.541000 192 " " W B 2 "TRP " " H " 1 0 0 1 6154 76.17 + 6154 41 20.218000 3.294000 -2.592000 192 " " W B 2 "TRP " " HA " 1 0 0 1 6155 76.17 + 6155 41 21.204000 4.874000 -0.179000 192 " " W B 2 "TRP " " HB3" 1 0 0 1 6156 12.21 + 6156 41 19.788000 3.861000 -0.239000 192 " " W B 2 "TRP " " HB2" 1 0 0 1 6157 12.21 + 6157 41 17.645000 4.774000 -1.490000 192 " " W B 2 "TRP " " HD1" 1 0 0 1 6158 12.21 + 6158 43 16.907000 7.109000 -2.302000 192 " " W B 2 "TRP " " HE1" 1 0 0 1 6159 12.21 + 6159 41 22.129000 7.224000 -1.115000 192 " " W B 2 "TRP " " HE3" 1 0 0 1 6160 12.21 + 6160 41 18.136000 9.663000 -2.823000 192 " " W B 2 "TRP " " HZ2" 1 0 0 1 6161 12.21 + 6161 41 22.328000 9.589000 -1.811000 192 " " W B 2 "TRP " " HZ3" 1 0 0 1 6162 12.21 + 6162 41 20.345000 10.816000 -2.677000 192 " " W B 2 "TRP " " HH2" 1 0 0 1 6163 12.21 + 6163 25 21.455000 5.025000 -4.104000 193 " " P B 2 "PRO " " N " 7 0 0 1 6164 24.25 + 6164 3 20.199000 4.629000 -4.787000 193 " " P B 2 "PRO " " CA " 6 0 0 1 6165 24.25 + 6165 2 20.150000 3.196000 -5.359000 193 " " P B 2 "PRO " " C " 6 0 0 1 6166 24.25 + 6166 15 19.212000 2.902000 -6.101000 193 " " P B 2 "PRO " " O " 8 0 0 1 6167 9.5 + 6167 3 20.037000 5.676000 -5.910000 193 " " P B 2 "PRO " " CB " 6 0 0 1 6168 9.5 + 6168 3 20.941000 6.829000 -5.520000 193 " " P B 2 "PRO " " CG " 6 0 0 1 6169 9.5 + 6169 3 22.096000 6.118000 -4.833000 193 " " P B 2 "PRO " " CD " 6 0 0 1 6170 9.5 + 6170 41 19.373000 4.754000 -4.087000 193 " " P B 2 "PRO " " HA " 1 0 0 1 6171 24.25 + 6171 41 19.002000 5.994000 -6.039000 193 " " P B 2 "PRO " " HB3" 1 0 0 1 6172 9.5 + 6172 41 20.376000 5.277000 -6.869000 193 " " P B 2 "PRO " " HB2" 1 0 0 1 6173 9.5 + 6173 41 20.428000 7.471000 -4.801000 193 " " P B 2 "PRO " " HG3" 1 0 0 1 6174 9.5 + 6174 41 21.249000 7.445000 -6.365000 193 " " P B 2 "PRO " " HG2" 1 0 0 1 6175 9.5 + 6175 41 22.786000 5.694000 -5.564000 193 " " P B 2 "PRO " " HD2" 1 0 0 1 6176 9.5 + 6176 41 22.654000 6.808000 -4.198000 193 " " P B 2 "PRO " " HD3" 1 0 0 1 6177 9.5 + 6177 25 21.127000 2.338000 -5.009000 194 " " S B 2 "SER " " N " 7 0 0 1 6178 62.82 + 6178 3 21.238000 0.926000 -5.398000 194 " " S B 2 "SER " " CA " 6 0 0 1 6179 62.82 + 6179 2 19.958000 0.116000 -5.117000 194 " " S B 2 "SER " " C " 6 0 0 1 6180 62.82 + 6180 15 19.526000 -0.644000 -5.983000 194 " " S B 2 "SER " " O " 8 0 0 1 6181 48.26 + 6181 3 22.417000 0.291000 -4.638000 194 " " S B 2 "SER " " CB " 6 0 0 1 6182 48.26 + 6182 16 23.635000 0.947000 -4.916000 194 " " S B 2 "SER " " OG " 8 0 0 1 6183 48.26 + 6183 43 21.882000 2.671000 -4.427000 194 " " S B 2 "SER " " H " 1 0 0 1 6184 62.82 + 6184 41 21.439000 0.888000 -6.470000 194 " " S B 2 "SER " " HA " 1 0 0 1 6185 62.82 + 6185 41 22.526000 -0.763000 -4.901000 194 " " S B 2 "SER " " HB3" 1 0 0 1 6186 48.26 + 6186 41 22.247000 0.335000 -3.567000 194 " " S B 2 "SER " " HB2" 1 0 0 1 6187 48.26 + 6187 42 24.336000 0.501000 -4.434000 194 " " S B 2 "SER " " HG " 1 0 0 1 6188 48.26 + 6188 25 19.367000 0.347000 -3.933000 195 " " E B 2 "GLU " " N " 7 0 0 1 6189 53.25 + 6189 3 18.067000 -0.169000 -3.519000 195 " " E B 2 "GLU " " CA " 6 0 0 1 6190 53.25 + 6190 2 17.110000 1.017000 -3.302000 195 " " E B 2 "GLU " " C " 6 0 0 1 6191 53.25 + 6191 15 17.549000 2.164000 -3.186000 195 " " E B 2 "GLU " " O " 8 0 0 1 6192 91.22 + 6192 3 18.252000 -0.984000 -2.212000 195 " " E B 2 "GLU " " CB " 6 0 0 1 6193 91.22 + 6193 3 17.336000 -2.214000 -2.076000 195 " " E B 2 "GLU " " CG " 6 0 0 1 6194 91.22 + 6194 2 17.789000 -3.379000 -2.960000 195 " " E B 2 "GLU " " CD " 6 0 0 1 6195 91.22 + 6195 15 17.574000 -3.293000 -4.189000 195 " " E B 2 "GLU " " OE1" 8 0 0 1 6196 91.22 + 6196 18 18.349000 -4.339000 -2.388000 195 " " E B 2 "GLU " " OE2" 8 -1 0 1 6197 91.22 + 6197 43 19.783000 1.009000 -3.293000 195 " " E B 2 "GLU " " H " 1 0 0 1 6198 53.25 + 6198 41 17.649000 -0.790000 -4.311000 195 " " E B 2 "GLU " " HA " 1 0 0 1 6199 53.25 + 6199 41 18.072000 -0.346000 -1.346000 195 " " E B 2 "GLU " " HB3" 1 0 0 1 6200 91.22 + 6200 41 19.290000 -1.307000 -2.108000 195 " " E B 2 "GLU " " HB2" 1 0 0 1 6201 91.22 + 6201 41 16.302000 -1.959000 -2.312000 195 " " E B 2 "GLU " " HG3" 1 0 0 1 6202 91.22 + 6202 41 17.338000 -2.550000 -1.038000 195 " " E B 2 "GLU " " HG2" 1 0 0 1 6203 91.22 + 6203 25 15.807000 0.706000 -3.240000 196 " " T B 2 "THR " " N " 7 0 0 1 6204 83.89 + 6204 3 14.754000 1.682000 -2.965000 196 " " T B 2 "THR " " CA " 6 0 0 1 6205 83.89 + 6205 2 14.609000 1.902000 -1.451000 196 " " T B 2 "THR " " C " 6 0 0 1 6206 83.89 + 6206 15 14.546000 0.936000 -0.689000 196 " " T B 2 "THR " " O " 8 0 0 1 6207 73.26 + 6207 3 13.387000 1.205000 -3.523000 196 " " T B 2 "THR " " CB " 6 0 0 1 6208 73.26 + 6208 16 13.469000 1.180000 -4.935000 196 " " T B 2 "THR " " OG1" 8 0 0 1 6209 73.26 + 6209 3 12.165000 2.066000 -3.135000 196 " " T B 2 "THR " " CG2" 6 0 0 1 6210 73.26 + 6210 43 15.520000 -0.259000 -3.317000 196 " " T B 2 "THR " " H " 1 0 0 1 6211 83.89 + 6211 41 15.010000 2.631000 -3.443000 196 " " T B 2 "THR " " HA " 1 0 0 1 6212 83.89 + 6212 41 13.198000 0.180000 -3.199000 196 " " T B 2 "THR " " HB " 1 0 0 1 6213 73.26 + 6213 42 14.173000 0.577000 -5.186000 196 " " T B 2 "THR " " HG1" 1 0 0 1 6214 73.26 + 6214 41 11.284000 1.785000 -3.713000 196 " " T B 2 "THR " "HG21" 1 0 0 1 6215 73.26 + 6215 41 11.902000 1.943000 -2.084000 196 " " T B 2 "THR " "HG22" 1 0 0 1 6216 73.26 + 6216 41 12.352000 3.126000 -3.301000 196 " " T B 2 "THR " "HG23" 1 0 0 1 6217 73.26 + 6217 25 14.517000 3.184000 -1.073000 197 " " V B 2 "VAL " " N " 7 0 0 1 6218 36.79 + 6218 3 14.174000 3.615000 0.272000 197 " " V B 2 "VAL " " CA " 6 0 0 1 6219 36.79 + 6219 2 12.991000 4.593000 0.144000 197 " " V B 2 "VAL " " C " 6 0 0 1 6220 36.79 + 6220 15 13.096000 5.582000 -0.581000 197 " " V B 2 "VAL " " O " 8 0 0 1 6221 23.47 + 6221 3 15.368000 4.295000 0.995000 197 " " V B 2 "VAL " " CB " 6 0 0 1 6222 23.47 + 6222 3 14.991000 4.793000 2.398000 197 " " V B 2 "VAL " " CG1" 6 0 0 1 6223 23.47 + 6223 3 16.581000 3.354000 1.104000 197 " " V B 2 "VAL " " CG2" 6 0 0 1 6224 23.47 + 6224 43 14.586000 3.918000 -1.762000 197 " " V B 2 "VAL " " H " 1 0 0 1 6225 36.79 + 6225 41 13.868000 2.762000 0.872000 197 " " V B 2 "VAL " " HA " 1 0 0 1 6226 36.79 + 6226 41 15.688000 5.162000 0.412000 197 " " V B 2 "VAL " " HB " 1 0 0 1 6227 23.47 + 6227 41 15.860000 5.163000 2.939000 197 " " V B 2 "VAL " "HG11" 1 0 0 1 6228 23.47 + 6228 41 14.274000 5.605000 2.342000 197 " " V B 2 "VAL " "HG12" 1 0 0 1 6229 23.47 + 6229 41 14.540000 4.001000 2.993000 197 " " V B 2 "VAL " "HG13" 1 0 0 1 6230 23.47 + 6230 41 17.403000 3.840000 1.628000 197 " " V B 2 "VAL " "HG21" 1 0 0 1 6231 23.47 + 6231 41 16.330000 2.443000 1.646000 197 " " V B 2 "VAL " "HG22" 1 0 0 1 6232 23.47 + 6232 41 16.959000 3.063000 0.124000 197 " " V B 2 "VAL " "HG23" 1 0 0 1 6233 23.47 + 6233 25 11.883000 4.269000 0.823000 198 " " T B 2 "THR " " N " 7 0 2 1 6234 26.03 + 6234 3 10.638000 5.031000 0.819000 198 " " T B 2 "THR " " CA " 6 0 2 1 6235 26.03 + 6235 2 10.229000 5.281000 2.274000 198 " " T B 2 "THR " " C " 6 0 2 1 6236 26.03 + 6236 15 10.173000 4.332000 3.053000 198 " " T B 2 "THR " " O " 8 0 2 1 6237 44.26 + 6237 3 9.497000 4.230000 0.119000 198 " " T B 2 "THR " " CB " 6 0 2 1 6238 44.26 + 6238 16 9.695000 4.299000 -1.279000 198 " " T B 2 "THR " " OG1" 8 0 2 1 6239 44.26 + 6239 3 8.042000 4.674000 0.394000 198 " " T B 2 "THR " " CG2" 6 0 2 1 6240 44.26 + 6240 43 11.877000 3.425000 1.384000 198 " " T B 2 "THR " " H " 1 0 2 1 6241 26.03 + 6241 41 10.788000 5.988000 0.321000 198 " " T B 2 "THR " " HA " 1 0 2 1 6242 26.03 + 6242 41 9.580000 3.178000 0.398000 198 " " T B 2 "THR " " HB " 1 0 2 1 6243 44.26 + 6243 42 9.493000 5.191000 -1.570000 198 " " T B 2 "THR " " HG1" 1 0 2 1 6244 44.26 + 6244 41 7.338000 4.097000 -0.207000 198 " " T B 2 "THR " "HG21" 1 0 2 1 6245 44.26 + 6245 41 7.755000 4.525000 1.434000 198 " " T B 2 "THR " "HG22" 1 0 2 1 6246 44.26 + 6246 41 7.888000 5.725000 0.156000 198 " " T B 2 "THR " "HG23" 1 0 2 1 6247 44.26 + 6247 25 9.898000 6.542000 2.591000 199 " " C B 2 "CYS " " N " 7 0 2 1 6248 8.5 + 6248 3 9.225000 6.918000 3.832000 199 " " C B 2 "CYS " " CA " 6 0 2 1 6249 8.5 + 6249 2 7.711000 6.867000 3.581000 199 " " C B 2 "CYS " " C " 6 0 2 1 6250 8.5 + 6250 15 7.246000 7.364000 2.557000 199 " " C B 2 "CYS " " O " 8 0 2 1 6251 2.48 + 6251 3 9.729000 8.303000 4.306000 199 " " C B 2 "CYS " " CB " 6 0 2 1 6252 2.48 + 6252 49 8.741000 9.791000 3.984000 199 " " C B 2 "CYS " " SG " 16 0 2 1 6253 2.48 + 6253 43 9.939000 7.259000 1.878000 199 " " C B 2 "CYS " " H " 1 0 2 1 6254 8.5 + 6254 41 9.483000 6.198000 4.609000 199 " " C B 2 "CYS " " HA " 1 0 2 1 6255 8.5 + 6255 41 10.702000 8.493000 3.862000 199 " " C B 2 "CYS " " HB3" 1 0 2 1 6256 2.48 + 6256 41 9.900000 8.271000 5.382000 199 " " C B 2 "CYS " " HB2" 1 0 2 1 6257 2.48 + 6257 25 6.976000 6.273000 4.526000 200 " " N B 2 "ASN " " N " 7 0 2 1 6258 26.18 + 6258 3 5.520000 6.156000 4.500000 200 " " N B 2 "ASN " " CA " 6 0 2 1 6259 26.18 + 6259 2 4.995000 6.901000 5.733000 200 " " N B 2 "ASN " " C " 6 0 2 1 6260 26.18 + 6260 15 5.382000 6.556000 6.847000 200 " " N B 2 "ASN " " O " 8 0 2 1 6261 10.69 + 6261 3 5.002000 4.685000 4.469000 200 " " N B 2 "ASN " " CB " 6 0 2 1 6262 10.69 + 6262 2 6.032000 3.598000 4.125000 200 " " N B 2 "ASN " " CG " 6 0 2 1 6263 10.69 + 6263 15 6.882000 3.262000 4.947000 200 " " N B 2 "ASN " " OD1" 8 0 2 1 6264 10.69 + 6264 25 5.947000 3.019000 2.928000 200 " " N B 2 "ASN " " ND2" 7 0 2 1 6265 10.69 + 6265 43 7.434000 5.882000 5.342000 200 " " N B 2 "ASN " " H " 1 0 2 1 6266 26.18 + 6266 41 5.098000 6.663000 3.632000 200 " " N B 2 "ASN " " HA " 1 0 2 1 6267 26.18 + 6267 41 4.152000 4.622000 3.789000 200 " " N B 2 "ASN " " HB3" 1 0 2 1 6268 10.69 + 6268 41 4.580000 4.403000 5.431000 200 " " N B 2 "ASN " " HB2" 1 0 2 1 6269 10.69 + 6269 43 6.577000 2.273000 2.674000 200 " " N B 2 "ASN " "HD22" 1 0 2 1 6270 10.69 + 6270 43 5.228000 3.303000 2.266000 200 " " N B 2 "ASN " "HD21" 1 0 2 1 6271 10.69 + 6271 25 4.157000 7.921000 5.514000 201 " " V B 2 "VAL " " N " 7 0 2 1 6272 2.48 + 6272 3 3.666000 8.831000 6.542000 201 " " V B 2 "VAL " " CA " 6 0 2 1 6273 2.48 + 6273 2 2.139000 8.710000 6.605000 201 " " V B 2 "VAL " " C " 6 0 2 1 6274 2.48 + 6274 15 1.459000 9.118000 5.663000 201 " " V B 2 "VAL " " O " 8 0 2 1 6275 8.01 + 6275 3 4.020000 10.300000 6.182000 201 " " V B 2 "VAL " " CB " 6 0 2 1 6276 8.01 + 6276 3 3.432000 11.350000 7.155000 201 " " V B 2 "VAL " " CG1" 6 0 2 1 6277 8.01 + 6277 3 5.540000 10.481000 6.024000 201 " " V B 2 "VAL " " CG2" 6 0 2 1 6278 8.01 + 6278 43 3.869000 8.133000 4.565000 201 " " V B 2 "VAL " " H " 1 0 2 1 6279 2.48 + 6279 41 4.087000 8.598000 7.522000 201 " " V B 2 "VAL " " HA " 1 0 2 1 6280 2.48 + 6280 41 3.591000 10.510000 5.202000 201 " " V B 2 "VAL " " HB " 1 0 2 1 6281 8.01 + 6281 41 3.766000 12.354000 6.903000 201 " " V B 2 "VAL " "HG11" 1 0 2 1 6282 8.01 + 6282 41 2.343000 11.377000 7.127000 201 " " V B 2 "VAL " "HG12" 1 0 2 1 6283 8.01 + 6283 41 3.728000 11.152000 8.184000 201 " " V B 2 "VAL " "HG13" 1 0 2 1 6284 8.01 + 6284 41 5.789000 11.506000 5.769000 201 " " V B 2 "VAL " "HG21" 1 0 2 1 6285 8.01 + 6285 41 6.083000 10.221000 6.929000 201 " " V B 2 "VAL " "HG22" 1 0 2 1 6286 8.01 + 6286 41 5.935000 9.862000 5.219000 201 " " V B 2 "VAL " "HG23" 1 0 2 1 6287 8.01 + 6287 25 1.633000 8.171000 7.721000 202 " " A B 2 "ALA " " N " 7 0 2 1 6288 10.81 + 6288 3 0.203000 8.078000 7.995000 202 " " A B 2 "ALA " " CA " 6 0 2 1 6289 10.81 + 6289 2 -0.213000 9.214000 8.934000 202 " " A B 2 "ALA " " C " 6 0 2 1 6290 10.81 + 6290 15 0.392000 9.360000 9.990000 202 " " A B 2 "ALA " " O " 8 0 2 1 6291 40.49 + 6291 3 -0.099000 6.713000 8.626000 202 " " A B 2 "ALA " " CB " 6 0 2 1 6292 40.49 + 6292 43 2.253000 7.850000 8.453000 202 " " A B 2 "ALA " " H " 1 0 2 1 6293 10.81 + 6293 41 -0.371000 8.145000 7.072000 202 " " A B 2 "ALA " " HA " 1 0 2 1 6294 10.81 + 6294 41 -1.167000 6.598000 8.816000 202 " " A B 2 "ALA " " HB1" 1 0 2 1 6295 40.49 + 6295 41 0.205000 5.901000 7.966000 202 " " A B 2 "ALA " " HB2" 1 0 2 1 6296 40.49 + 6296 41 0.419000 6.585000 9.574000 202 " " A B 2 "ALA " " HB3" 1 0 2 1 6297 40.49 + 6297 25 -1.261000 9.957000 8.555000 203 " " H B 2 "HIS " " N " 7 0 2 1 6298 4.71 + 6298 3 -1.916000 10.968000 9.379000 203 " " H B 2 "HIS " " CA " 6 0 2 1 6299 4.71 + 6299 2 -3.369000 10.511000 9.619000 203 " " H B 2 "HIS " " C " 6 0 2 1 6300 4.71 + 6300 15 -4.238000 10.852000 8.812000 203 " " H B 2 "HIS " " O " 8 0 2 1 6301 36.72 + 6301 3 -1.829000 12.339000 8.685000 203 " " H B 2 "HIS " " CB " 6 0 2 1 6302 36.72 + 6302 2 -2.436000 13.473000 9.478000 203 " " H B 2 "HIS " " CG " 6 0 2 1 6303 36.72 + 6303 25 -3.466000 14.271000 8.976000 203 " " H B 2 "HIS " " ND1" 7 0 2 1 6304 36.72 + 6304 2 -2.133000 13.905000 10.751000 203 " " H B 2 "HIS " " CD2" 6 0 2 1 6305 36.72 + 6305 2 -3.736000 15.141000 9.936000 203 " " H B 2 "HIS " " CE1" 6 0 2 1 6306 36.72 + 6306 25 -2.975000 14.967000 11.012000 203 " " H B 2 "HIS " " NE2" 7 0 2 1 6307 36.72 + 6307 43 -1.712000 9.754000 7.670000 203 " " H B 2 "HIS " " H " 1 0 2 1 6308 4.71 + 6308 41 -1.390000 11.093000 10.322000 203 " " H B 2 "HIS " " HA " 1 0 2 1 6309 4.71 + 6309 41 -2.297000 12.303000 7.703000 203 " " H B 2 "HIS " " HB3" 1 0 2 1 6310 36.72 + 6310 41 -0.785000 12.587000 8.502000 203 " " H B 2 "HIS " " HB2" 1 0 2 1 6311 36.72 + 6311 41 -1.417000 13.555000 11.475000 203 " " H B 2 "HIS " " HD2" 1 0 2 1 6312 36.72 + 6312 41 -4.498000 15.902000 9.854000 203 " " H B 2 "HIS " " HE1" 1 0 2 1 6313 36.72 + 6313 43 -3.015000 15.493000 11.877000 203 " " H B 2 "HIS " " HE2" 1 0 2 1 6314 36.72 + 6314 25 -3.609000 9.716000 10.691000 204 " " P B 2 "PRO " " N " 7 0 0 1 6315 14.11 + 6315 3 -4.925000 9.094000 10.948000 204 " " P B 2 "PRO " " CA " 6 0 0 1 6316 14.11 + 6316 2 -6.088000 10.063000 11.224000 204 " " P B 2 "PRO " " C " 6 0 0 1 6317 14.11 + 6317 15 -7.231000 9.688000 10.966000 204 " " P B 2 "PRO " " O " 8 0 0 1 6318 28.8 + 6318 3 -4.671000 8.159000 12.144000 204 " " P B 2 "PRO " " CB " 6 0 0 1 6319 28.8 + 6319 3 -3.464000 8.753000 12.844000 204 " " P B 2 "PRO " " CG " 6 0 0 1 6320 28.8 + 6320 3 -2.630000 9.280000 11.691000 204 " " P B 2 "PRO " " CD " 6 0 0 1 6321 28.8 + 6321 41 -5.206000 8.494000 10.081000 204 " " P B 2 "PRO " " HA " 1 0 0 1 6322 14.11 + 6322 41 -4.426000 7.162000 11.775000 204 " " P B 2 "PRO " " HB3" 1 0 0 1 6323 28.8 + 6323 41 -5.525000 8.052000 12.815000 204 " " P B 2 "PRO " " HB2" 1 0 0 1 6324 28.8 + 6324 41 -2.932000 8.045000 13.481000 204 " " P B 2 "PRO " " HG3" 1 0 0 1 6325 28.8 + 6325 41 -3.777000 9.593000 13.456000 204 " " P B 2 "PRO " " HG2" 1 0 0 1 6326 28.8 + 6326 41 -1.974000 10.066000 12.052000 204 " " P B 2 "PRO " " HD2" 1 0 0 1 6327 28.8 + 6327 41 -2.017000 8.484000 11.266000 204 " " P B 2 "PRO " " HD3" 1 0 0 1 6328 28.8 + 6328 25 -5.788000 11.288000 11.696000 205 " " A B 2 "ALA " " N " 7 0 0 1 6329 11.23 + 6329 3 -6.773000 12.342000 11.957000 205 " " A B 2 "ALA " " CA " 6 0 0 1 6330 11.23 + 6330 2 -7.481000 12.884000 10.697000 205 " " A B 2 "ALA " " C " 6 0 0 1 6331 11.23 + 6331 15 -8.517000 13.534000 10.839000 205 " " A B 2 "ALA " " O " 8 0 0 1 6332 10.48 + 6332 3 -6.084000 13.485000 12.711000 205 " " A B 2 "ALA " " CB " 6 0 0 1 6333 10.48 + 6333 43 -4.825000 11.524000 11.883000 205 " " A B 2 "ALA " " H " 1 0 0 1 6334 11.23 + 6334 41 -7.539000 11.919000 12.610000 205 " " A B 2 "ALA " " HA " 1 0 0 1 6335 11.23 + 6335 41 -6.825000 14.177000 13.110000 205 " " A B 2 "ALA " " HB1" 1 0 0 1 6336 10.48 + 6336 41 -5.491000 13.121000 13.550000 205 " " A B 2 "ALA " " HB2" 1 0 0 1 6337 10.48 + 6337 41 -5.413000 14.045000 12.061000 205 " " A B 2 "ALA " " HB3" 1 0 0 1 6338 10.48 + 6338 25 -6.926000 12.599000 9.505000 206 " " S B 2 "SER " " N " 7 0 0 1 6339 15.14 + 6339 3 -7.492000 12.941000 8.199000 206 " " S B 2 "SER " " CA " 6 0 0 1 6340 15.14 + 6340 2 -7.595000 11.722000 7.258000 206 " " S B 2 "SER " " C " 6 0 0 1 6341 15.14 + 6341 15 -7.922000 11.915000 6.087000 206 " " S B 2 "SER " " O " 8 0 0 1 6342 18.8 + 6342 3 -6.669000 14.095000 7.584000 206 " " S B 2 "SER " " CB " 6 0 0 1 6343 18.8 + 6343 16 -5.456000 13.661000 7.013000 206 " " S B 2 "SER " " OG " 8 0 0 1 6344 18.8 + 6344 43 -6.060000 12.078000 9.482000 206 " " S B 2 "SER " " H " 1 0 0 1 6345 15.14 + 6345 41 -8.513000 13.300000 8.334000 206 " " S B 2 "SER " " HA " 1 0 0 1 6346 15.14 + 6346 41 -6.423000 14.838000 8.338000 206 " " S B 2 "SER " " HB3" 1 0 0 1 6347 18.8 + 6347 41 -7.247000 14.602000 6.811000 206 " " S B 2 "SER " " HB2" 1 0 0 1 6348 18.8 + 6348 42 -4.776000 13.676000 7.697000 206 " " S B 2 "SER " " HG " 1 0 0 1 6349 18.8 + 6349 25 -7.295000 10.506000 7.760000 207 " " S B 2 "SER " " N " 7 0 0 1 6350 48.24 + 6350 3 -7.277000 9.229000 7.025000 207 " " S B 2 "SER " " CA " 6 0 0 1 6351 48.24 + 6351 2 -6.288000 9.193000 5.833000 207 " " S B 2 "SER " " C " 6 0 0 1 6352 48.24 + 6352 15 -6.480000 8.415000 4.897000 207 " " S B 2 "SER " " O " 8 0 0 1 6353 37.37 + 6353 3 -8.715000 8.816000 6.626000 207 " " S B 2 "SER " " CB " 6 0 0 1 6354 37.37 + 6354 16 -9.453000 8.461000 7.777000 207 " " S B 2 "SER " " OG " 8 0 0 1 6355 37.37 + 6355 43 -7.056000 10.437000 8.739000 207 " " S B 2 "SER " " H " 1 0 0 1 6356 48.24 + 6356 41 -6.894000 8.485000 7.725000 207 " " S B 2 "SER " " HA " 1 0 0 1 6357 48.24 + 6357 41 -8.712000 7.939000 5.979000 207 " " S B 2 "SER " " HB3" 1 0 0 1 6358 37.37 + 6358 41 -9.236000 9.603000 6.082000 207 " " S B 2 "SER " " HB2" 1 0 0 1 6359 37.37 + 6359 42 -9.593000 9.251000 8.306000 207 " " S B 2 "SER " " HG " 1 0 0 1 6360 37.37 + 6360 25 -5.247000 10.039000 5.891000 208 " " T B 2 "THR " " N " 7 0 2 1 6361 47.62 + 6361 3 -4.260000 10.234000 4.832000 208 " " T B 2 "THR " " CA " 6 0 2 1 6362 47.62 + 6362 2 -3.047000 9.319000 5.059000 208 " " T B 2 "THR " " C " 6 0 2 1 6363 47.62 + 6363 15 -2.617000 9.148000 6.198000 208 " " T B 2 "THR " " O " 8 0 2 1 6364 22.86 + 6364 3 -3.780000 11.711000 4.827000 208 " " T B 2 "THR " " CB " 6 0 2 1 6365 22.86 + 6365 16 -4.847000 12.525000 4.386000 208 " " T B 2 "THR " " OG1" 8 0 2 1 6366 22.86 + 6366 3 -2.558000 12.038000 3.953000 208 " " T B 2 "THR " " CG2" 6 0 2 1 6367 22.86 + 6367 43 -5.134000 10.623000 6.708000 208 " " T B 2 "THR " " H " 1 0 2 1 6368 47.62 + 6368 41 -4.707000 10.004000 3.862000 208 " " T B 2 "THR " " HA " 1 0 2 1 6369 47.62 + 6369 41 -3.554000 12.018000 5.848000 208 " " T B 2 "THR " " HB " 1 0 2 1 6370 22.86 + 6370 42 -5.501000 12.579000 5.090000 208 " " T B 2 "THR " " HG1" 1 0 2 1 6371 22.86 + 6371 41 -2.399000 13.115000 3.887000 208 " " T B 2 "THR " "HG21" 1 0 2 1 6372 22.86 + 6372 41 -1.648000 11.612000 4.375000 208 " " T B 2 "THR " "HG22" 1 0 2 1 6373 22.86 + 6373 41 -2.678000 11.658000 2.939000 208 " " T B 2 "THR " "HG23" 1 0 2 1 6374 22.86 + 6374 25 -2.527000 8.753000 3.959000 209 " " K B 2 "LYS " " N " 7 0 2 1 6375 12.96 + 6375 3 -1.354000 7.884000 3.934000 209 " " K B 2 "LYS " " CA " 6 0 2 1 6376 12.96 + 6376 2 -0.536000 8.269000 2.695000 209 " " K B 2 "LYS " " C " 6 0 2 1 6377 12.96 + 6377 15 -0.914000 7.901000 1.583000 209 " " K B 2 "LYS " " O " 8 0 2 1 6378 63 + 6378 3 -1.785000 6.398000 3.916000 209 " " K B 2 "LYS " " CB " 6 0 2 1 6379 63 + 6379 3 -2.584000 5.953000 5.157000 209 " " K B 2 "LYS " " CG " 6 0 2 1 6380 63 + 6380 3 -3.024000 4.478000 5.097000 209 " " K B 2 "LYS " " CD " 6 0 2 1 6381 63 + 6381 3 -4.506000 4.266000 5.446000 209 " " K B 2 "LYS " " CE " 6 0 2 1 6382 63 + 6382 32 -5.396000 4.859000 4.431000 209 " " K B 2 "LYS " " NZ " 7 1 2 1 6383 63 + 6383 43 -2.938000 8.951000 3.057000 209 " " K B 2 "LYS " " H " 1 0 2 1 6384 12.96 + 6384 41 -0.740000 8.053000 4.817000 209 " " K B 2 "LYS " " HA " 1 0 2 1 6385 12.96 + 6385 41 -0.895000 5.771000 3.831000 209 " " K B 2 "LYS " " HB3" 1 0 2 1 6386 63 + 6386 41 -2.382000 6.201000 3.024000 209 " " K B 2 "LYS " " HB2" 1 0 2 1 6387 63 + 6387 41 -3.464000 6.583000 5.271000 209 " " K B 2 "LYS " " HG3" 1 0 2 1 6388 63 + 6388 41 -1.987000 6.120000 6.054000 209 " " K B 2 "LYS " " HG2" 1 0 2 1 6389 63 + 6389 41 -2.415000 3.902000 5.795000 209 " " K B 2 "LYS " " HD3" 1 0 2 1 6390 63 + 6390 41 -2.817000 4.054000 4.113000 209 " " K B 2 "LYS " " HD2" 1 0 2 1 6391 63 + 6391 41 -4.735000 4.693000 6.424000 209 " " K B 2 "LYS " " HE3" 1 0 2 1 6392 63 + 6392 41 -4.720000 3.198000 5.506000 209 " " K B 2 "LYS " " HE2" 1 0 2 1 6393 63 + 6393 44 -5.237000 5.856000 4.383000 209 " " K B 2 "LYS " " HZ1" 1 0 2 1 6394 63 + 6394 44 -5.204000 4.446000 3.529000 209 " " K B 2 "LYS " " HZ2" 1 0 2 1 6395 63 + 6395 44 -6.359000 4.687000 4.681000 209 " " K B 2 "LYS " " HZ3" 1 0 2 1 6396 63 + 6396 25 0.544000 9.034000 2.911000 210 " " V B 2 "VAL " " N " 7 0 2 1 6397 29.33 + 6397 3 1.453000 9.509000 1.868000 210 " " V B 2 "VAL " " CA " 6 0 2 1 6398 29.33 + 6398 2 2.709000 8.625000 1.856000 210 " " V B 2 "VAL " " C " 6 0 2 1 6399 29.33 + 6399 15 3.354000 8.497000 2.894000 210 " " V B 2 "VAL " " O " 8 0 2 1 6400 3.79 + 6400 3 1.900000 10.979000 2.137000 210 " " V B 2 "VAL " " CB " 6 0 2 1 6401 3.79 + 6401 3 3.042000 11.482000 1.225000 210 " " V B 2 "VAL " " CG1" 6 0 2 1 6402 3.79 + 6402 3 0.713000 11.951000 2.040000 210 " " V B 2 "VAL " " CG2" 6 0 2 1 6403 3.79 + 6403 43 0.802000 9.273000 3.860000 210 " " V B 2 "VAL " " H " 1 0 2 1 6404 29.33 + 6404 41 0.970000 9.464000 0.889000 210 " " V B 2 "VAL " " HA " 1 0 2 1 6405 29.33 + 6405 41 2.259000 11.040000 3.165000 210 " " V B 2 "VAL " " HB " 1 0 2 1 6406 3.79 + 6406 41 3.179000 12.558000 1.324000 210 " " V B 2 "VAL " "HG11" 1 0 2 1 6407 3.79 + 6407 41 4.000000 11.018000 1.466000 210 " " V B 2 "VAL " "HG12" 1 0 2 1 6408 3.79 + 6408 41 2.826000 11.280000 0.175000 210 " " V B 2 "VAL " "HG13" 1 0 2 1 6409 3.79 + 6409 41 1.016000 12.973000 2.270000 210 " " V B 2 "VAL " "HG21" 1 0 2 1 6410 3.79 + 6410 41 0.278000 11.947000 1.040000 210 " " V B 2 "VAL " "HG22" 1 0 2 1 6411 3.79 + 6411 41 -0.070000 11.683000 2.744000 210 " " V B 2 "VAL " "HG23" 1 0 2 1 6412 3.79 + 6412 25 3.055000 8.084000 0.678000 211 " " D B 2 "ASP " " N " 7 0 2 1 6413 17.54 + 6413 3 4.309000 7.367000 0.441000 211 " " D B 2 "ASP " " CA " 6 0 2 1 6414 17.54 + 6414 2 5.218000 8.212000 -0.451000 211 " " D B 2 "ASP " " C " 6 0 2 1 6415 17.54 + 6415 15 4.823000 8.592000 -1.555000 211 " " D B 2 "ASP " " O " 8 0 2 1 6416 44.82 + 6416 3 4.147000 5.941000 -0.129000 211 " " D B 2 "ASP " " CB " 6 0 2 1 6417 44.82 + 6417 2 3.453000 4.960000 0.821000 211 " " D B 2 "ASP " " CG " 6 0 2 1 6418 44.82 + 6418 15 2.342000 5.271000 1.301000 211 " " D B 2 "ASP " " OD1" 8 0 2 1 6419 44.82 + 6419 18 4.036000 3.870000 1.007000 211 " " D B 2 "ASP " " OD2" 8 -1 2 1 6420 44.82 + 6420 43 2.467000 8.222000 -0.131000 211 " " D B 2 "ASP " " H " 1 0 2 1 6421 17.54 + 6421 41 4.828000 7.238000 1.391000 211 " " D B 2 "ASP " " HA " 1 0 2 1 6422 17.54 + 6422 41 5.136000 5.542000 -0.360000 211 " " D B 2 "ASP " " HB3" 1 0 2 1 6423 44.82 + 6423 41 3.603000 5.952000 -1.074000 211 " " D B 2 "ASP " " HB2" 1 0 2 1 6424 44.82 + 6424 25 6.423000 8.474000 0.069000 212 " " K B 2 "LYS " " N " 7 0 2 1 6425 21.77 + 6425 3 7.458000 9.286000 -0.547000 212 " " K B 2 "LYS " " CA " 6 0 2 1 6426 21.77 + 6426 2 8.700000 8.439000 -0.812000 212 " " K B 2 "LYS " " C " 6 0 2 1 6427 21.77 + 6427 15 9.332000 7.979000 0.134000 212 " " K B 2 "LYS " " O " 8 0 2 1 6428 22.73 + 6428 3 7.779000 10.486000 0.379000 212 " " K B 2 "LYS " " CB " 6 0 2 1 6429 22.73 + 6429 3 7.262000 11.812000 -0.186000 212 " " K B 2 "LYS " " CG " 6 0 2 1 6430 22.73 + 6430 3 8.045000 12.256000 -1.430000 212 " " K B 2 "LYS " " CD " 6 0 2 1 6431 22.73 + 6431 3 7.462000 13.496000 -2.103000 212 " " K B 2 "LYS " " CE " 6 0 2 1 6432 22.73 + 6432 32 6.142000 13.249000 -2.703000 212 " " K B 2 "LYS " " NZ " 7 1 2 1 6433 22.73 + 6433 43 6.658000 8.096000 0.979000 212 " " K B 2 "LYS " " H " 1 0 2 1 6434 21.77 + 6434 41 7.089000 9.648000 -1.507000 212 " " K B 2 "LYS " " HA " 1 0 2 1 6435 21.77 + 6435 41 8.853000 10.593000 0.542000 212 " " K B 2 "LYS " " HB3" 1 0 2 1 6436 22.73 + 6436 41 7.358000 10.324000 1.372000 212 " " K B 2 "LYS " " HB2" 1 0 2 1 6437 22.73 + 6437 41 7.342000 12.589000 0.571000 212 " " K B 2 "LYS " " HG3" 1 0 2 1 6438 22.73 + 6438 41 6.199000 11.716000 -0.409000 212 " " K B 2 "LYS " " HG2" 1 0 2 1 6439 22.73 + 6439 41 8.122000 11.456000 -2.166000 212 " " K B 2 "LYS " " HD3" 1 0 2 1 6440 22.73 + 6440 41 9.072000 12.471000 -1.135000 212 " " K B 2 "LYS " " HD2" 1 0 2 1 6441 22.73 + 6441 41 8.144000 13.805000 -2.892000 212 " " K B 2 "LYS " " HE3" 1 0 2 1 6442 22.73 + 6442 41 7.374000 14.324000 -1.402000 212 " " K B 2 "LYS " " HE2" 1 0 2 1 6443 22.73 + 6443 44 5.469000 13.028000 -1.984000 212 " " K B 2 "LYS " " HZ1" 1 0 2 1 6444 22.73 + 6444 44 5.867000 14.097000 -3.186000 212 " " K B 2 "LYS " " HZ2" 1 0 2 1 6445 22.73 + 6445 44 6.204000 12.493000 -3.369000 212 " " K B 2 "LYS " " HZ3" 1 0 2 1 6446 22.73 + 6446 25 9.039000 8.297000 -2.099000 213 " " K B 2 "LYS " " N " 7 0 2 1 6447 24.8 + 6447 3 10.295000 7.725000 -2.570000 213 " " K B 2 "LYS " " CA " 6 0 2 1 6448 24.8 + 6448 2 11.318000 8.865000 -2.699000 213 " " K B 2 "LYS " " C " 6 0 2 1 6449 24.8 + 6449 15 10.992000 9.906000 -3.271000 213 " " K B 2 "LYS " " O " 8 0 2 1 6450 66 + 6450 3 10.002000 6.988000 -3.891000 213 " " K B 2 "LYS " " CB " 6 0 2 1 6451 66 + 6451 3 11.180000 6.191000 -4.472000 213 " " K B 2 "LYS " " CG " 6 0 2 1 6452 66 + 6452 3 10.688000 5.051000 -5.380000 213 " " K B 2 "LYS " " CD " 6 0 2 1 6453 66 + 6453 3 11.821000 4.297000 -6.086000 213 " " K B 2 "LYS " " CE " 6 0 2 1 6454 66 + 6454 32 11.328000 3.055000 -6.705000 213 " " K B 2 "LYS " " NZ " 7 1 2 1 6455 66 + 6455 43 8.457000 8.715000 -2.811000 213 " " K B 2 "LYS " " H " 1 0 2 1 6456 24.8 + 6456 41 10.664000 6.996000 -1.847000 213 " " K B 2 "LYS " " HA " 1 0 2 1 6457 24.8 + 6457 41 9.617000 7.677000 -4.645000 213 " " K B 2 "LYS " " HB3" 1 0 2 1 6458 66 + 6458 41 9.190000 6.287000 -3.689000 213 " " K B 2 "LYS " " HB2" 1 0 2 1 6459 66 + 6459 41 11.781000 5.771000 -3.663000 213 " " K B 2 "LYS " " HG3" 1 0 2 1 6460 66 + 6460 41 11.838000 6.860000 -5.029000 213 " " K B 2 "LYS " " HG2" 1 0 2 1 6461 66 + 6461 41 9.997000 5.449000 -6.124000 213 " " K B 2 "LYS " " HD3" 1 0 2 1 6462 66 + 6462 41 10.113000 4.348000 -4.776000 213 " " K B 2 "LYS " " HD2" 1 0 2 1 6463 66 + 6463 41 12.609000 4.036000 -5.379000 213 " " K B 2 "LYS " " HE3" 1 0 2 1 6464 66 + 6464 41 12.279000 4.928000 -6.849000 213 " " K B 2 "LYS " " HE2" 1 0 2 1 6465 66 + 6465 44 10.619000 3.272000 -7.390000 213 " " K B 2 "LYS " " HZ1" 1 0 2 1 6466 66 + 6466 44 12.097000 2.576000 -7.152000 213 " " K B 2 "LYS " " HZ2" 1 0 2 1 6467 66 + 6467 44 10.939000 2.455000 -5.991000 213 " " K B 2 "LYS " " HZ3" 1 0 2 1 6468 66 + 6468 25 12.512000 8.661000 -2.121000 214 " " I B 2 "ILE " " N " 7 0 0 1 6469 32.24 + 6469 3 13.524000 9.706000 -1.897000 214 " " I B 2 "ILE " " CA " 6 0 0 1 6470 32.24 + 6470 2 14.702000 9.490000 -2.908000 214 " " I B 2 "ILE " " C " 6 0 0 1 6471 32.24 + 6471 15 15.419000 8.480000 -2.724000 214 " " I B 2 "ILE " " O " 8 0 0 1 6472 30.24 + 6472 3 13.981000 9.719000 -0.401000 214 " " I B 2 "ILE " " CB " 6 0 0 1 6473 30.24 + 6473 3 14.316000 8.337000 0.198000 214 " " I B 2 "ILE " " CG1" 6 0 0 1 6474 30.24 + 6474 3 12.948000 10.407000 0.513000 214 " " I B 2 "ILE " " CG2" 6 0 0 1 6475 30.24 + 6475 3 15.298000 8.444000 1.352000 214 " " I B 2 "ILE " " CD1" 6 0 0 1 6476 30.24 + 6476 43 12.715000 7.767000 -1.696000 214 " " I B 2 "ILE " " H " 1 0 0 1 6477 32.24 + 6477 41 13.117000 10.698000 -2.112000 214 " " I B 2 "ILE " " HA " 1 0 0 1 6478 32.24 + 6478 41 14.885000 10.329000 -0.343000 214 " " I B 2 "ILE " " HB " 1 0 0 1 6479 30.24 + 6479 41 14.748000 7.665000 -0.539000 214 " " I B 2 "ILE " "HG13" 1 0 0 1 6480 30.24 + 6480 41 13.402000 7.855000 0.544000 214 " " I B 2 "ILE " "HG12" 1 0 0 1 6481 30.24 + 6481 41 12.936000 11.471000 0.325000 214 " " I B 2 "ILE " "HG21" 1 0 0 1 6482 30.24 + 6482 41 11.942000 10.016000 0.356000 214 " " I B 2 "ILE " "HG22" 1 0 0 1 6483 30.24 + 6483 41 13.179000 10.296000 1.571000 214 " " I B 2 "ILE " "HG23" 1 0 0 1 6484 30.24 + 6484 41 15.537000 7.463000 1.755000 214 " " I B 2 "ILE " "HD11" 1 0 0 1 6485 30.24 + 6485 41 16.223000 8.904000 1.010000 214 " " I B 2 "ILE " "HD12" 1 0 0 1 6486 30.24 + 6486 41 14.900000 9.046000 2.166000 214 " " I B 2 "ILE " "HD13" 1 0 0 1 6487 30.24 + 6487 25 14.781000 10.452000 -3.894000 214 "A" X B 2 "NMA " " N " 7 0 0 1 6488 <> + 6488 3 15.816000 10.366000 -4.914000 214 "A" X B 2 "NMA " " CA " 6 0 0 1 6489 <> + 6489 43 14.121000 11.215000 -3.908000 214 "A" X B 2 "NMA " " H " 1 0 0 1 6490 <> + 6490 41 16.435000 9.461000 -4.722000 214 "A" X B 2 "NMA " "1HA " 1 0 0 1 6491 <> + 6491 41 15.348000 10.296000 -5.921000 214 "A" X B 2 "NMA " "2HA " 1 0 0 1 6492 <> + 6492 41 16.458000 11.275000 -4.876000 214 "A" X B 2 "NMA " "3HA " 1 0 0 1 6493 <> + ::: + } + m_bond[6578] { + # First column is bond index # 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mode 100644 --- /dev/null +++ b/test/MAE/docking_1_2.mae @@ -0,0 +1,26974 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_pdb_PDB_Model + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 1 + 3.0 + /Users/ramso/Yandex.Disk.localized/Work/biocad/protein-protein-docking-benchmark/dataset/rigid/1AHW_A/cap/1AHW_r_b.pdb + 1 + 2 + m_atom[6492] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + i_pdb_PDB_serial + r_m_pdb_tfactor + ::: + 1 3 -8.785000 6.922000 45.212000 0 " " X A 2 "ACE " " CH3" 6 0 0 1 1 <> + 2 2 -8.708000 7.238000 46.706000 0 " " X A 2 "ACE " " C " 6 0 0 1 2 <> + 3 15 -8.867000 6.339000 47.528000 0 " " X A 2 "ACE " " O " 8 0 0 1 3 <> + 4 41 -8.989000 5.837000 45.073000 0 " " X A 2 "ACE " "1H " 1 0 0 1 4 <> + 5 41 -9.600000 7.518000 44.746000 0 " " X A 2 "ACE " "2H " 1 0 0 1 5 <> + 6 41 -7.819000 7.185000 44.725000 0 " " X A 2 "ACE " "3H " 1 0 0 1 6 <> + 7 25 -8.462000 8.528000 47.131000 1 " " D A 2 "ASP " " N " 7 0 0 1 7 30.31 + 8 3 -8.388000 8.833000 48.602000 1 " " D A 2 "ASP " " CA " 6 0 0 1 8 30.31 + 9 2 -7.004000 8.319000 49.088000 1 " " D A 2 "ASP " " C " 6 0 0 1 9 30.31 + 10 15 -6.337000 9.034000 49.834000 1 " " D A 2 "ASP " " O " 8 0 0 1 10 81.66 + 11 3 -9.589000 8.274000 49.414000 1 " " D A 2 "ASP " " CB " 6 0 0 1 11 81.66 + 12 2 -9.666000 6.743000 49.521000 1 " " D A 2 "ASP " " CG " 6 0 0 1 12 81.66 + 13 15 -9.431000 6.239000 50.639000 1 " " D A 2 "ASP " " OD1" 8 0 0 1 13 81.66 + 14 18 -9.915000 6.116000 48.471000 1 " " D A 2 "ASP " " OD2" 8 -1 0 1 14 81.66 + 15 43 -8.331000 9.267000 46.455000 1 " " D A 2 "ASP " " H2 " 1 0 0 1 15 30.31 + 16 41 -8.402000 9.923000 48.627000 1 " " D A 2 "ASP " " HA " 1 0 0 1 16 30.31 + 17 41 -10.536000 8.640000 49.016000 1 " " D A 2 "ASP " " HB3" 1 0 0 1 17 81.66 + 18 41 -9.550000 8.675000 50.429000 1 " " D A 2 "ASP " " HB2" 1 0 0 1 18 81.66 + 19 25 -6.634000 7.082000 48.706000 2 " " I A 2 "ILE " " N " 7 0 0 1 19 17.24 + 20 3 -5.404000 6.383000 49.057000 2 " " I A 2 "ILE " " CA " 6 0 0 1 20 17.24 + 21 2 -4.271000 6.810000 48.106000 2 " " I A 2 "ILE " " C " 6 0 0 1 21 17.24 + 22 15 -4.192000 6.331000 46.975000 2 " " I A 2 "ILE " " O " 8 0 0 1 22 25.27 + 23 3 -5.623000 4.830000 49.077000 2 " " I A 2 "ILE " " CB " 6 0 0 1 23 25.27 + 24 3 -4.350000 3.942000 49.054000 2 " " I A 2 "ILE " " CG1" 6 0 0 1 24 25.27 + 25 3 -6.594000 4.327000 47.986000 2 " " I A 2 "ILE " " CG2" 6 0 0 1 25 25.27 + 26 3 -3.237000 4.330000 50.036000 2 " " I A 2 "ILE " " CD1" 6 0 0 1 26 25.27 + 27 43 -7.275000 6.532000 48.152000 2 " " I A 2 "ILE " " H " 1 0 0 1 27 17.24 + 28 41 -5.134000 6.683000 50.072000 2 " " I A 2 "ILE " " HA " 1 0 0 1 28 17.24 + 29 41 -6.107000 4.615000 50.031000 2 " " I A 2 "ILE " " HB " 1 0 0 1 29 25.27 + 30 41 -3.935000 3.916000 48.046000 2 " " I A 2 "ILE " "HG13" 1 0 0 1 30 25.27 + 31 41 -4.644000 2.913000 49.263000 2 " " I A 2 "ILE " "HG12" 1 0 0 1 31 25.27 + 32 41 -6.710000 3.244000 48.037000 2 " " I A 2 "ILE " "HG21" 1 0 0 1 32 25.27 + 33 41 -7.595000 4.742000 48.101000 2 " " I A 2 "ILE " "HG22" 1 0 0 1 33 25.27 + 34 41 -6.241000 4.577000 46.986000 2 " " I A 2 "ILE " "HG23" 1 0 0 1 34 25.27 + 35 41 -2.941000 3.477000 50.646000 2 " " I A 2 "ILE " "HD11" 1 0 0 1 35 25.27 + 36 41 -2.354000 4.673000 49.498000 2 " " I A 2 "ILE " "HD12" 1 0 0 1 36 25.27 + 37 41 -3.542000 5.125000 50.710000 2 " " I A 2 "ILE " "HD13" 1 0 0 1 37 25.27 + 38 25 -3.444000 7.750000 48.589000 3 " " K A 2 "LYS " " N " 7 0 0 1 38 34.64 + 39 3 -2.336000 8.349000 47.850000 3 " " K A 2 "LYS " " CA " 6 0 0 1 39 34.64 + 40 2 -1.127000 7.408000 47.751000 3 " " K A 2 "LYS " " C " 6 0 0 1 40 34.64 + 41 15 -0.731000 6.818000 48.755000 3 " " K A 2 "LYS " " O " 8 0 0 1 41 69.34 + 42 3 -1.974000 9.706000 48.503000 3 " " K A 2 "LYS " " CB " 6 0 0 1 42 69.34 + 43 3 -0.665000 10.349000 47.988000 3 " " K A 2 "LYS " " CG " 6 0 0 1 43 69.34 + 44 3 -0.475000 11.818000 48.390000 3 " " K A 2 "LYS " " CD " 6 0 0 1 44 69.34 + 45 3 -1.315000 12.784000 47.541000 3 " " K A 2 "LYS " " CE " 6 0 0 1 45 69.34 + 46 32 -1.050000 14.186000 47.903000 3 " " K A 2 "LYS " " NZ " 7 1 0 1 46 69.34 + 47 43 -3.565000 8.072000 49.540000 3 " " K A 2 "LYS " " H " 1 0 0 1 47 34.64 + 48 41 -2.692000 8.558000 46.839000 3 " " K A 2 "LYS " " HA " 1 0 0 1 48 34.64 + 49 41 -1.882000 9.581000 49.583000 3 " " K A 2 "LYS " " HB3" 1 0 0 1 49 69.34 + 50 41 -2.810000 10.388000 48.353000 3 " " K A 2 "LYS " " HB2" 1 0 0 1 50 69.34 + 51 41 -0.610000 10.265000 46.901000 3 " " K A 2 "LYS " " HG3" 1 0 0 1 51 69.34 + 52 41 0.184000 9.784000 48.375000 3 " " K A 2 "LYS " " HG2" 1 0 0 1 52 69.34 + 53 41 0.582000 12.073000 48.302000 3 " " K A 2 "LYS " " HD3" 1 0 0 1 53 69.34 + 54 41 -0.729000 11.939000 49.444000 3 " " K A 2 "LYS " " HD2" 1 0 0 1 54 69.34 + 55 41 -2.380000 12.585000 47.665000 3 " " K A 2 "LYS " " HE3" 1 0 0 1 55 69.34 + 56 41 -1.084000 12.653000 46.483000 3 " " K A 2 "LYS " " HE2" 1 0 0 1 56 69.34 + 57 44 -1.609000 14.795000 47.322000 3 " " K A 2 "LYS " " HZ1" 1 0 0 1 57 69.34 + 58 44 -1.289000 14.335000 48.873000 3 " " K A 2 "LYS " " HZ2" 1 0 0 1 58 69.34 + 59 44 -0.072000 14.393000 47.762000 3 " " K A 2 "LYS " " HZ3" 1 0 0 1 59 69.34 + 60 25 -0.529000 7.371000 46.551000 4 " " M A 2 "MET " " N " 7 0 2 1 60 18.96 + 61 3 0.792000 6.807000 46.296000 4 " " M A 2 "MET " " CA " 6 0 2 1 61 18.96 + 62 2 1.810000 7.948000 46.180000 4 " " M A 2 "MET " " C " 6 0 2 1 62 18.96 + 63 15 1.532000 8.944000 45.512000 4 " " M A 2 "MET " " O " 8 0 2 1 63 6 + 64 3 0.767000 5.986000 44.990000 4 " " M A 2 "MET " " CB " 6 0 2 1 64 6 + 65 3 -0.150000 4.752000 45.028000 4 " " M A 2 "MET " " CG " 6 0 2 1 65 6 + 66 49 0.054000 3.651000 46.456000 4 " " M A 2 "MET " " SD " 16 0 2 1 66 6 + 67 3 1.835000 3.337000 46.381000 4 " " M A 2 "MET " " CE " 6 0 2 1 67 6 + 68 43 -0.930000 7.895000 45.786000 4 " " M A 2 "MET " " H " 1 0 2 1 68 18.96 + 69 41 1.096000 6.168000 47.124000 4 " " M A 2 "MET " " HA " 1 0 2 1 69 18.96 + 70 41 1.777000 5.667000 44.730000 4 " " M A 2 "MET " " HB3" 1 0 2 1 70 6 + 71 41 0.445000 6.624000 44.166000 4 " " M A 2 "MET " " HB2" 1 0 2 1 71 6 + 72 41 0.003000 4.163000 44.124000 4 " " M A 2 "MET " " HG3" 1 0 2 1 72 6 + 73 41 -1.193000 5.065000 45.012000 4 " " M A 2 "MET " " HG2" 1 0 2 1 73 6 + 74 41 2.116000 2.573000 47.105000 4 " " M A 2 "MET " " HE1" 1 0 2 1 74 6 + 75 41 2.110000 2.995000 45.386000 4 " " M A 2 "MET " " HE2" 1 0 2 1 75 6 + 76 41 2.401000 4.240000 46.606000 4 " " M A 2 "MET " " HE3" 1 0 2 1 76 6 + 77 25 2.971000 7.767000 46.824000 5 " " T A 2 "THR " " N " 7 0 2 1 77 33.89 + 78 3 4.073000 8.724000 46.833000 5 " " T A 2 "THR " " CA " 6 0 2 1 78 33.89 + 79 2 5.327000 8.027000 46.291000 5 " " T A 2 "THR " " C " 6 0 2 1 79 33.89 + 80 15 6.002000 7.305000 47.028000 5 " " T A 2 "THR " " O " 8 0 2 1 80 62.48 + 81 3 4.356000 9.258000 48.261000 5 " " T A 2 "THR " " CB " 6 0 2 1 81 62.48 + 82 16 3.184000 9.864000 48.766000 5 " " T A 2 "THR " " OG1" 8 0 2 1 82 62.48 + 83 3 5.490000 10.298000 48.334000 5 " " T A 2 "THR " " CG2" 6 0 2 1 83 62.48 + 84 43 3.108000 6.931000 47.380000 5 " " T A 2 "THR " " H " 1 0 2 1 84 33.89 + 85 41 3.852000 9.579000 46.189000 5 " " T A 2 "THR " " HA " 1 0 2 1 85 33.89 + 86 41 4.593000 8.431000 48.931000 5 " " T A 2 "THR " " HB " 1 0 2 1 86 62.48 + 87 42 2.502000 9.191000 48.829000 5 " " T A 2 "THR " " HG1" 1 0 2 1 87 62.48 + 88 41 5.579000 10.708000 49.340000 5 " " T A 2 "THR " "HG21" 1 0 2 1 88 62.48 + 89 41 6.458000 9.865000 48.080000 5 " " T A 2 "THR " "HG22" 1 0 2 1 89 62.48 + 90 41 5.308000 11.130000 47.653000 5 " " T A 2 "THR " "HG23" 1 0 2 1 90 62.48 + 91 25 5.580000 8.241000 44.991000 6 " " Q A 2 "GLN " " N " 7 0 2 1 91 16.97 + 92 3 6.694000 7.652000 44.259000 6 " " Q A 2 "GLN " " CA " 6 0 2 1 92 16.97 + 93 2 7.919000 8.583000 44.281000 6 " " Q A 2 "GLN " " C " 6 0 2 1 93 16.97 + 94 15 7.757000 9.803000 44.248000 6 " " Q A 2 "GLN " " O " 8 0 2 1 94 8.02 + 95 3 6.218000 7.337000 42.830000 6 " " Q A 2 "GLN " " CB " 6 0 2 1 95 8.02 + 96 3 7.225000 6.496000 42.022000 6 " " Q A 2 "GLN " " CG " 6 0 2 1 96 8.02 + 97 2 6.608000 5.788000 40.816000 6 " " Q A 2 "GLN " " CD " 6 0 2 1 97 8.02 + 98 15 5.427000 5.931000 40.515000 6 " " Q A 2 "GLN " " OE1" 8 0 2 1 98 8.02 + 99 25 7.421000 5.006000 40.113000 6 " " Q A 2 "GLN " " NE2" 7 0 2 1 99 8.02 + 100 43 4.980000 8.855000 44.462000 6 " " Q A 2 "GLN " " H " 1 0 2 1 100 16.97 + 101 41 6.950000 6.712000 44.738000 6 " " Q A 2 "GLN " " HA " 1 0 2 1 101 16.97 + 102 41 5.992000 8.258000 42.290000 6 " " Q A 2 "GLN " " HB3" 1 0 2 1 102 8.02 + 103 41 5.272000 6.801000 42.910000 6 " " Q A 2 "GLN " " HB2" 1 0 2 1 103 8.02 + 104 41 7.669000 5.728000 42.654000 6 " " Q A 2 "GLN " " HG3" 1 0 2 1 104 8.02 + 105 41 8.041000 7.132000 41.687000 6 " " Q A 2 "GLN " " HG2" 1 0 2 1 105 8.02 + 106 43 7.091000 4.550000 39.275000 6 " " Q A 2 "GLN " "HE22" 1 0 2 1 106 8.02 + 107 43 8.387000 4.902000 40.385000 6 " " Q A 2 "GLN " "HE21" 1 0 2 1 107 8.02 + 108 25 9.118000 7.983000 44.330000 7 " " S A 2 "SER " " N " 7 0 2 1 108 24.72 + 109 3 10.402000 8.679000 44.434000 7 " " S A 2 "SER " " CA " 6 0 2 1 109 24.72 + 110 2 11.528000 7.807000 43.836000 7 " " S A 2 "SER " " C " 6 0 2 1 110 24.72 + 111 15 11.466000 6.586000 43.999000 7 " " S A 2 "SER " " O " 8 0 2 1 111 60.4 + 112 3 10.652000 9.022000 45.924000 7 " " S A 2 "SER " " CB " 6 0 2 1 112 60.4 + 113 16 10.800000 7.869000 46.739000 7 " " S A 2 "SER " " OG " 8 0 2 1 113 60.4 + 114 43 9.166000 6.972000 44.365000 7 " " S A 2 "SER " " H " 1 0 2 1 114 24.72 + 115 41 10.318000 9.605000 43.867000 7 " " S A 2 "SER " " HA " 1 0 2 1 115 24.72 + 116 41 9.837000 9.628000 46.322000 7 " " S A 2 "SER " " HB3" 1 0 2 1 116 60.4 + 117 41 11.557000 9.624000 46.018000 7 " " S A 2 "SER " " HB2" 1 0 2 1 117 60.4 + 118 42 11.569000 7.380000 46.433000 7 " " S A 2 "SER " " HG " 1 0 2 1 118 60.4 + 119 25 12.565000 8.419000 43.206000 8 " " P A 2 "PRO " " N " 7 0 0 1 119 13.11 + 120 3 12.721000 9.854000 42.849000 8 " " P A 2 "PRO " " CA " 6 0 0 1 120 13.11 + 121 2 11.923000 10.229000 41.582000 8 " " P A 2 "PRO " " C " 6 0 0 1 121 13.11 + 122 15 11.545000 9.331000 40.847000 8 " " P A 2 "PRO " " O " 8 0 0 1 122 6.31 + 123 3 14.240000 9.989000 42.577000 8 " " P A 2 "PRO " " CB " 6 0 0 1 123 6.31 + 124 3 14.875000 8.661000 42.962000 8 " " P A 2 "PRO " " CG " 6 0 0 1 124 6.31 + 125 3 13.743000 7.669000 42.778000 8 " " P A 2 "PRO " " CD " 6 0 0 1 125 6.31 + 126 41 12.435000 10.488000 43.689000 8 " " P A 2 "PRO " " HA " 1 0 0 1 126 13.11 + 127 41 14.687000 10.821000 43.121000 8 " " P A 2 "PRO " " HB3" 1 0 0 1 127 6.31 + 128 41 14.436000 10.166000 41.518000 8 " " P A 2 "PRO " " HB2" 1 0 0 1 128 6.31 + 129 41 15.161000 8.689000 44.014000 8 " " P A 2 "PRO " " HG3" 1 0 0 1 129 6.31 + 130 41 15.765000 8.416000 42.382000 8 " " P A 2 "PRO " " HG2" 1 0 0 1 130 6.31 + 131 41 13.629000 7.394000 41.728000 8 " " P A 2 "PRO " " HD2" 1 0 0 1 131 6.31 + 132 41 13.926000 6.756000 43.349000 8 " " P A 2 "PRO " " HD3" 1 0 0 1 132 6.31 + 133 25 11.707000 11.525000 41.296000 9 " " S A 2 "SER " " N " 7 0 0 1 133 2.48 + 134 3 11.011000 11.974000 40.071000 9 " " S A 2 "SER " " CA " 6 0 0 1 134 2.48 + 135 2 11.760000 11.665000 38.755000 9 " " S A 2 "SER " " C " 6 0 0 1 135 2.48 + 136 15 11.127000 11.387000 37.737000 9 " " S A 2 "SER " " O " 8 0 0 1 136 51.1 + 137 3 10.737000 13.485000 40.160000 9 " " S A 2 "SER " " CB " 6 0 0 1 137 51.1 + 138 16 9.724000 13.741000 41.108000 9 " " S A 2 "SER " " OG " 8 0 0 1 138 51.1 + 139 43 12.022000 12.249000 41.925000 9 " " S A 2 "SER " " H " 1 0 0 1 139 2.48 + 140 41 10.052000 11.453000 40.014000 9 " " S A 2 "SER " " HA " 1 0 0 1 140 2.48 + 141 41 10.393000 13.877000 39.201000 9 " " S A 2 "SER " " HB3" 1 0 0 1 141 51.1 + 142 41 11.640000 14.038000 40.425000 9 " " S A 2 "SER " " HB2" 1 0 0 1 142 51.1 + 143 42 9.532000 14.682000 41.106000 9 " " S A 2 "SER " " HG " 1 0 0 1 143 51.1 + 144 25 13.095000 11.713000 38.813000 10 " " S A 2 "SER " " N " 7 0 2 1 144 14.74 + 145 3 14.011000 11.370000 37.734000 10 " " S A 2 "SER " " CA " 6 0 2 1 145 14.74 + 146 2 15.313000 10.889000 38.375000 10 " " S A 2 "SER " " C " 6 0 2 1 146 14.74 + 147 15 15.658000 11.360000 39.463000 10 " " S A 2 "SER " " O " 8 0 2 1 147 22.13 + 148 3 14.220000 12.582000 36.796000 10 " " S A 2 "SER " " CB " 6 0 2 1 148 22.13 + 149 16 14.982000 13.619000 37.392000 10 " " S A 2 "SER " " OG " 8 0 2 1 149 22.13 + 150 43 13.544000 11.948000 39.687000 10 " " S A 2 "SER " " H " 1 0 2 1 150 14.74 + 151 41 13.581000 10.544000 37.166000 10 " " S A 2 "SER " " HA " 1 0 2 1 151 14.74 + 152 41 13.262000 12.988000 36.469000 10 " " S A 2 "SER " " HB3" 1 0 2 1 152 22.13 + 153 41 14.740000 12.259000 35.893000 10 " " S A 2 "SER " " HB2" 1 0 2 1 153 22.13 + 154 42 15.856000 13.280000 37.602000 10 " " S A 2 "SER " " HG " 1 0 2 1 154 22.13 + 155 25 16.031000 9.989000 37.691000 11 " " M A 2 "MET " " N " 7 0 2 1 155 28.05 + 156 3 17.312000 9.510000 38.190000 11 " " M A 2 "MET " " CA " 6 0 2 1 156 28.05 + 157 2 18.212000 9.022000 37.052000 11 " " M A 2 "MET " " C " 6 0 2 1 157 28.05 + 158 15 17.734000 8.470000 36.062000 11 " " M A 2 "MET " " O " 8 0 2 1 158 35.02 + 159 3 17.103000 8.484000 39.325000 11 " " M A 2 "MET " " CB " 6 0 2 1 159 35.02 + 160 3 16.580000 7.096000 38.912000 11 " " M A 2 "MET " " CG " 6 0 2 1 160 35.02 + 161 49 17.095000 5.773000 40.033000 11 " " M A 2 "MET " " SD " 16 0 2 1 161 35.02 + 162 3 18.891000 5.825000 39.775000 11 " " M A 2 "MET " " CE " 6 0 2 1 162 35.02 + 163 43 15.721000 9.634000 36.795000 11 " " M A 2 "MET " " H " 1 0 2 1 163 28.05 + 164 41 17.827000 10.369000 38.627000 11 " " M A 2 "MET " " HA " 1 0 2 1 164 28.05 + 165 41 16.414000 8.891000 40.065000 11 " " M A 2 "MET " " HB3" 1 0 2 1 165 35.02 + 166 41 18.040000 8.403000 39.869000 11 " " M A 2 "MET " " HB2" 1 0 2 1 166 35.02 + 167 41 16.909000 6.813000 37.915000 11 " " M A 2 "MET " " HG3" 1 0 2 1 167 35.02 + 168 41 15.490000 7.112000 38.874000 11 " " M A 2 "MET " " HG2" 1 0 2 1 168 35.02 + 169 41 19.360000 5.028000 40.347000 11 " " M A 2 "MET " " HE1" 1 0 2 1 169 35.02 + 170 41 19.121000 5.691000 38.718000 11 " " M A 2 "MET " " HE2" 1 0 2 1 170 35.02 + 171 41 19.340000 6.756000 40.112000 11 " " M A 2 "MET " " HE3" 1 0 2 1 171 35.02 + 172 25 19.514000 9.264000 37.245000 12 " " Y A 2 "TYR " " N " 7 0 2 1 172 33.95 + 173 3 20.575000 9.036000 36.276000 12 " " Y A 2 "TYR " " CA " 6 0 2 1 173 33.95 + 174 2 21.513000 7.996000 36.888000 12 " " Y A 2 "TYR " " C " 6 0 2 1 174 33.95 + 175 15 22.045000 8.233000 37.972000 12 " " Y A 2 "TYR " " O " 8 0 2 1 175 61.05 + 176 3 21.311000 10.365000 35.982000 12 " " Y A 2 "TYR " " CB " 6 0 2 1 176 61.05 + 177 2 20.414000 11.468000 35.438000 12 " " Y A 2 "TYR " " CG " 6 0 2 1 177 61.05 + 178 2 19.545000 12.168000 36.303000 12 " " Y A 2 "TYR " " CD1" 6 0 2 1 178 61.05 + 179 2 20.413000 11.773000 34.063000 12 " " Y A 2 "TYR " " CD2" 6 0 2 1 179 61.05 + 180 2 18.621000 13.094000 35.787000 12 " " Y A 2 "TYR " " CE1" 6 0 2 1 180 61.05 + 181 2 19.492000 12.705000 33.544000 12 " " Y A 2 "TYR " " CE2" 6 0 2 1 181 61.05 + 182 2 18.581000 13.349000 34.403000 12 " " Y A 2 "TYR " " CZ " 6 0 2 1 182 61.05 + 183 16 17.663000 14.223000 33.899000 12 " " Y A 2 "TYR " " OH " 8 0 2 1 183 61.05 + 184 43 19.812000 9.690000 38.110000 12 " " Y A 2 "TYR " " H " 1 0 2 1 184 33.95 + 185 41 20.162000 8.667000 35.342000 12 " " Y A 2 "TYR " " HA " 1 0 2 1 185 33.95 + 186 41 22.110000 10.183000 35.263000 12 " " Y A 2 "TYR " " HB3" 1 0 2 1 186 61.05 + 187 41 21.795000 10.742000 36.884000 12 " " Y A 2 "TYR " " HB2" 1 0 2 1 187 61.05 + 188 41 19.553000 11.967000 37.364000 12 " " Y A 2 "TYR " " HD1" 1 0 2 1 188 61.05 + 189 41 21.100000 11.268000 33.402000 12 " " Y A 2 "TYR " " HD2" 1 0 2 1 189 61.05 + 190 41 17.937000 13.595000 36.454000 12 " " Y A 2 "TYR " " HE1" 1 0 2 1 190 61.05 + 191 41 19.478000 12.910000 32.484000 12 " " Y A 2 "TYR " " HE2" 1 0 2 1 191 61.05 + 192 42 17.106000 14.616000 34.575000 12 " " Y A 2 "TYR " " HH " 1 0 2 1 192 61.05 + 193 25 21.684000 6.863000 36.199000 13 " " A A 2 "ALA " " N " 7 0 2 1 193 11.17 + 194 3 22.522000 5.759000 36.659000 13 " " A A 2 "ALA " " CA " 6 0 2 1 194 11.17 + 195 2 23.164000 5.077000 35.461000 13 " " A A 2 "ALA " " C " 6 0 2 1 195 11.17 + 196 15 22.545000 5.004000 34.403000 13 " " A A 2 "ALA " " O " 8 0 2 1 196 30.76 + 197 3 21.676000 4.767000 37.463000 13 " " A A 2 "ALA " " CB " 6 0 2 1 197 30.76 + 198 43 21.219000 6.730000 35.310000 13 " " A A 2 "ALA " " H " 1 0 2 1 198 11.17 + 199 41 23.327000 6.134000 37.296000 13 " " A A 2 "ALA " " HA " 1 0 2 1 199 11.17 + 200 41 22.225000 3.847000 37.672000 13 " " A A 2 "ALA " " HB1" 1 0 2 1 200 30.76 + 201 41 21.393000 5.195000 38.424000 13 " " A A 2 "ALA " " HB2" 1 0 2 1 201 30.76 + 202 41 20.767000 4.504000 36.924000 13 " " A A 2 "ALA " " HB3" 1 0 2 1 202 30.76 + 203 25 24.398000 4.594000 35.645000 14 " " S A 2 "SER " " N " 7 0 2 1 203 13.23 + 204 3 25.173000 3.966000 34.582000 14 " " S A 2 "SER " " CA " 6 0 2 1 204 13.23 + 205 2 24.782000 2.500000 34.336000 14 " " S A 2 "SER " " C " 6 0 2 1 205 13.23 + 206 15 24.062000 1.903000 35.134000 14 " " S A 2 "SER " " O " 8 0 2 1 206 62.74 + 207 3 26.673000 4.180000 34.864000 14 " " S A 2 "SER " " CB " 6 0 2 1 207 62.74 + 208 16 27.115000 3.468000 36.000000 14 " " S A 2 "SER " " OG " 8 0 2 1 208 62.74 + 209 43 24.833000 4.633000 36.559000 14 " " S A 2 "SER " " H " 1 0 2 1 209 13.23 + 210 41 24.936000 4.499000 33.668000 14 " " S A 2 "SER " " HA " 1 0 2 1 210 13.23 + 211 41 26.883000 5.240000 35.012000 14 " " S A 2 "SER " " HB3" 1 0 2 1 211 62.74 + 212 41 27.268000 3.865000 34.007000 14 " " S A 2 "SER " " HB2" 1 0 2 1 212 62.74 + 213 42 27.083000 2.526000 35.812000 14 " " S A 2 "SER " " HG " 1 0 2 1 213 62.74 + 214 25 25.277000 1.947000 33.219000 15 " " L A 2 "LEU " " N " 7 0 0 1 214 19.66 + 215 3 25.127000 0.539000 32.845000 15 " " L A 2 "LEU " " CA " 6 0 0 1 215 19.66 + 216 2 25.746000 -0.401000 33.897000 15 " " L A 2 "LEU " " C " 6 0 0 1 216 19.66 + 217 15 26.785000 -0.080000 34.474000 15 " " L A 2 "LEU " " O " 8 0 0 1 217 43.79 + 218 3 25.804000 0.309000 31.479000 15 " " L A 2 "LEU " " CB " 6 0 0 1 218 43.79 + 219 3 25.139000 1.041000 30.293000 15 " " L A 2 "LEU " " CG " 6 0 0 1 219 43.79 + 220 3 26.081000 1.065000 29.072000 15 " " L A 2 "LEU " " CD1" 6 0 0 1 220 43.79 + 221 3 23.774000 0.418000 29.941000 15 " " L A 2 "LEU " " CD2" 6 0 0 1 221 43.79 + 222 43 25.841000 2.510000 32.597000 15 " " L A 2 "LEU " " H " 1 0 0 1 222 19.66 + 223 41 24.059000 0.329000 32.769000 15 " " L A 2 "LEU " " HA " 1 0 0 1 223 19.66 + 224 41 25.843000 -0.759000 31.255000 15 " " L A 2 "LEU " " HB3" 1 0 0 1 224 43.79 + 225 41 26.844000 0.630000 31.559000 15 " " L A 2 "LEU " " HB2" 1 0 0 1 225 43.79 + 226 41 24.965000 2.081000 30.570000 15 " " L A 2 "LEU " " HG " 1 0 0 1 226 43.79 + 227 41 25.591000 0.716000 28.163000 15 " " L A 2 "LEU " "HD11" 1 0 0 1 227 43.79 + 228 41 26.440000 2.075000 28.878000 15 " " L A 2 "LEU " "HD12" 1 0 0 1 228 43.79 + 229 41 26.960000 0.436000 29.218000 15 " " L A 2 "LEU " "HD13" 1 0 0 1 229 43.79 + 230 41 23.440000 0.699000 28.941000 15 " " L A 2 "LEU " "HD21" 1 0 0 1 230 43.79 + 231 41 23.812000 -0.670000 29.980000 15 " " L A 2 "LEU " "HD22" 1 0 0 1 231 43.79 + 232 41 23.002000 0.738000 30.640000 15 " " L A 2 "LEU " "HD23" 1 0 0 1 232 43.79 + 233 25 25.082000 -1.544000 34.121000 16 " " G A 2 "GLY " " N " 7 0 0 1 233 20.38 + 234 3 25.473000 -2.593000 35.063000 16 " " G A 2 "GLY " " CA " 6 0 0 1 234 20.38 + 235 2 25.220000 -2.229000 36.538000 16 " " G A 2 "GLY " " C " 6 0 0 1 235 20.38 + 236 15 25.380000 -3.092000 37.400000 16 " " G A 2 "GLY " " O " 8 0 0 1 236 2.48 + 237 43 24.222000 -1.708000 33.609000 16 " " G A 2 "GLY " " H " 1 0 0 1 237 20.38 + 238 41 26.527000 -2.842000 34.928000 16 " " G A 2 "GLY " " HA3" 1 0 0 1 238 20.38 + 239 41 24.902000 -3.483000 34.812000 16 " " G A 2 "GLY " " HA2" 1 0 0 1 239 20.38 + 240 25 24.829000 -0.977000 36.827000 17 " " E A 2 "GLU " " N " 7 0 0 1 240 34.47 + 241 3 24.604000 -0.433000 38.163000 17 " " E A 2 "GLU " " CA " 6 0 0 1 241 34.47 + 242 2 23.219000 -0.844000 38.680000 17 " " E A 2 "GLU " " C " 6 0 0 1 242 34.47 + 243 15 22.331000 -1.131000 37.877000 17 " " E A 2 "GLU " " O " 8 0 0 1 243 45.55 + 244 3 24.778000 1.095000 38.049000 17 " " E A 2 "GLU " " CB " 6 0 0 1 244 45.55 + 245 3 24.962000 1.849000 39.373000 17 " " E A 2 "GLU " " CG " 6 0 0 1 245 45.55 + 246 2 25.608000 3.210000 39.113000 17 " " E A 2 "GLU " " CD " 6 0 0 1 246 45.55 + 247 15 26.846000 3.279000 39.275000 17 " " E A 2 "GLU " " OE1" 8 0 0 1 247 45.55 + 248 18 24.870000 4.142000 38.722000 17 " " E A 2 "GLU " " OE2" 8 -1 0 1 248 45.55 + 249 43 24.702000 -0.322000 36.068000 17 " " E A 2 "GLU " " H " 1 0 0 1 249 34.47 + 250 41 25.371000 -0.831000 38.830000 17 " " E A 2 "GLU " " HA " 1 0 0 1 250 34.47 + 251 41 23.898000 1.515000 37.563000 17 " " E A 2 "GLU " " HB3" 1 0 0 1 251 45.55 + 252 41 25.620000 1.306000 37.387000 17 " " E A 2 "GLU " " HB2" 1 0 0 1 252 45.55 + 253 41 25.608000 1.282000 40.045000 17 " " E A 2 "GLU " " HG3" 1 0 0 1 253 45.55 + 254 41 24.007000 1.979000 39.883000 17 " " E A 2 "GLU " " HG2" 1 0 0 1 254 45.55 + 255 25 23.057000 -0.875000 40.010000 18 " " R A 2 "ARG " " N " 7 0 0 1 255 39.88 + 256 3 21.780000 -1.203000 40.636000 18 " " R A 2 "ARG " " CA " 6 0 0 1 256 39.88 + 257 2 21.049000 0.081000 41.037000 18 " " R A 2 "ARG " " C " 6 0 0 1 257 39.88 + 258 15 21.664000 0.974000 41.620000 18 " " R A 2 "ARG " " O " 8 0 0 1 258 55.39 + 259 3 22.004000 -2.168000 41.812000 18 " " R A 2 "ARG " " CB " 6 0 0 1 259 55.39 + 260 3 20.691000 -2.695000 42.426000 18 " " R A 2 "ARG " " CG " 6 0 0 1 260 55.39 + 261 3 20.855000 -4.040000 43.145000 18 " " R A 2 "ARG " " CD " 6 0 0 1 261 55.39 + 262 25 21.687000 -3.914000 44.343000 18 " " R A 2 "ARG " " NE " 7 0 0 1 262 55.39 + 263 2 21.293000 -3.388000 45.513000 18 " " R A 2 "ARG " " CZ " 6 0 0 1 263 55.39 + 264 25 20.034000 -2.965000 45.700000 18 " " R A 2 "ARG " " NH1" 7 0 0 1 264 55.39 + 265 31 22.179000 -3.287000 46.510000 18 " " R A 2 "ARG " " NH2" 7 1 0 1 265 55.39 + 266 43 23.814000 -0.615000 40.624000 18 " " R A 2 "ARG " " H " 1 0 0 1 266 39.88 + 267 41 21.163000 -1.737000 39.918000 18 " " R A 2 "ARG " " HA " 1 0 0 1 267 39.88 + 268 41 22.624000 -1.712000 42.585000 18 " " R A 2 "ARG " " HB3" 1 0 0 1 268 55.39 + 269 41 22.581000 -3.011000 41.436000 18 " " R A 2 "ARG " " HB2" 1 0 0 1 269 55.39 + 270 41 19.908000 -2.817000 41.682000 18 " " R A 2 "ARG " " HG3" 1 0 0 1 270 55.39 + 271 41 20.319000 -1.935000 43.113000 18 " " R A 2 "ARG " " HG2" 1 0 0 1 271 55.39 + 272 41 21.415000 -4.710000 42.493000 18 " " R A 2 "ARG " " HD3" 1 0 0 1 272 55.39 + 273 41 19.901000 -4.535000 43.333000 18 " " R A 2 "ARG " " HD2" 1 0 0 1 273 55.39 + 274 43 22.654000 -4.189000 44.237000 18 " " R A 2 "ARG " " HE " 1 0 0 1 274 55.39 + 275 43 19.746000 -2.571000 46.584000 18 " " R A 2 "ARG " "HH12" 1 0 0 1 275 55.39 + 276 43 19.358000 -3.052000 44.954000 18 " " R A 2 "ARG " "HH11" 1 0 0 1 276 55.39 + 277 44 21.906000 -2.893000 47.399000 18 " " R A 2 "ARG " "HH22" 1 0 0 1 277 55.39 + 278 44 23.130000 -3.601000 46.382000 18 " " R A 2 "ARG " "HH21" 1 0 0 1 278 55.39 + 279 25 19.749000 0.133000 40.719000 19 " " V A 2 "VAL " " N " 7 0 2 1 279 35.63 + 280 3 18.879000 1.262000 41.030000 19 " " V A 2 "VAL " " CA " 6 0 2 1 280 35.63 + 281 2 17.624000 0.758000 41.751000 19 " " V A 2 "VAL " " C " 6 0 2 1 281 35.63 + 282 15 17.184000 -0.365000 41.499000 19 " " V A 2 "VAL " " O " 8 0 2 1 282 21.06 + 283 3 18.462000 2.036000 39.751000 19 " " V A 2 "VAL " " CB " 6 0 2 1 283 21.06 + 284 3 19.689000 2.606000 39.027000 19 " " V A 2 "VAL " " CG1" 6 0 2 1 284 21.06 + 285 3 17.610000 1.257000 38.739000 19 " " V A 2 "VAL " " CG2" 6 0 2 1 285 21.06 + 286 43 19.315000 -0.648000 40.245000 19 " " V A 2 "VAL " " H " 1 0 2 1 286 35.63 + 287 41 19.382000 1.959000 41.704000 19 " " V A 2 "VAL " " HA " 1 0 2 1 287 35.63 + 288 41 17.864000 2.886000 40.080000 19 " " V A 2 "VAL " " HB " 1 0 2 1 288 21.06 + 289 41 19.376000 3.298000 38.247000 19 " " V A 2 "VAL " "HG11" 1 0 2 1 289 21.06 + 290 41 20.355000 3.132000 39.709000 19 " " V A 2 "VAL " "HG12" 1 0 2 1 290 21.06 + 291 41 20.275000 1.821000 38.547000 19 " " V A 2 "VAL " "HG13" 1 0 2 1 291 21.06 + 292 41 17.287000 1.921000 37.940000 19 " " V A 2 "VAL " "HG21" 1 0 2 1 292 21.06 + 293 41 18.204000 0.466000 38.285000 19 " " V A 2 "VAL " "HG22" 1 0 2 1 293 21.06 + 294 41 16.709000 0.823000 39.171000 19 " " V A 2 "VAL " "HG23" 1 0 2 1 294 21.06 + 295 25 17.090000 1.606000 42.643000 20 " " T A 2 "THR " " N " 7 0 2 1 295 5.81 + 296 3 15.898000 1.321000 43.430000 20 " " T A 2 "THR " " CA " 6 0 2 1 296 5.81 + 297 2 14.944000 2.518000 43.340000 20 " " T A 2 "THR " " C " 6 0 2 1 297 5.81 + 298 15 15.273000 3.616000 43.788000 20 " " T A 2 "THR " " O " 8 0 2 1 298 20.95 + 299 3 16.233000 1.043000 44.919000 20 " " T A 2 "THR " " CB " 6 0 2 1 299 20.95 + 300 16 16.991000 -0.150000 44.992000 20 " " T A 2 "THR " " OG1" 8 0 2 1 300 20.95 + 301 3 15.011000 0.874000 45.841000 20 " " T A 2 "THR " " CG2" 6 0 2 1 301 20.95 + 302 43 17.502000 2.517000 42.782000 20 " " T A 2 "THR " " H " 1 0 2 1 302 5.81 + 303 41 15.394000 0.443000 43.029000 20 " " T A 2 "THR " " HA " 1 0 2 1 303 5.81 + 304 41 16.859000 1.845000 45.312000 20 " " T A 2 "THR " " HB " 1 0 2 1 304 20.95 + 305 42 17.795000 -0.025000 44.482000 20 " " T A 2 "THR " " HG1" 1 0 2 1 305 20.95 + 306 41 15.310000 0.544000 46.837000 20 " " T A 2 "THR " "HG21" 1 0 2 1 306 20.95 + 307 41 14.458000 1.805000 45.966000 20 " " T A 2 "THR " "HG22" 1 0 2 1 307 20.95 + 308 41 14.328000 0.131000 45.434000 20 " " T A 2 "THR " "HG23" 1 0 2 1 308 20.95 + 309 25 13.764000 2.241000 42.777000 21 " " I A 2 "ILE " " N " 7 0 2 1 309 2.48 + 310 3 12.606000 3.123000 42.737000 21 " " I A 2 "ILE " " CA " 6 0 2 1 310 2.48 + 311 2 11.664000 2.681000 43.871000 21 " " I A 2 "ILE " " C " 6 0 2 1 311 2.48 + 312 15 11.538000 1.482000 44.102000 21 " " I A 2 "ILE " " O " 8 0 2 1 312 10.41 + 313 3 11.876000 2.960000 41.375000 21 " " I A 2 "ILE " " CB " 6 0 2 1 313 10.41 + 314 3 12.768000 3.438000 40.205000 21 " " I A 2 "ILE " " CG1" 6 0 2 1 314 10.41 + 315 3 10.497000 3.643000 41.330000 21 " " I A 2 "ILE " " CG2" 6 0 2 1 315 10.41 + 316 3 12.443000 2.759000 38.865000 21 " " I A 2 "ILE " " CD1" 6 0 2 1 316 10.41 + 317 43 13.587000 1.293000 42.470000 21 " " I A 2 "ILE " " H " 1 0 2 1 317 2.48 + 318 41 12.900000 4.166000 42.879000 21 " " I A 2 "ILE " " HA " 1 0 2 1 318 2.48 + 319 41 11.701000 1.894000 41.224000 21 " " I A 2 "ILE " " HB " 1 0 2 1 319 10.41 + 320 41 13.818000 3.230000 40.412000 21 " " I A 2 "ILE " "HG13" 1 0 2 1 320 10.41 + 321 41 12.714000 4.522000 40.118000 21 " " I A 2 "ILE " "HG12" 1 0 2 1 321 10.41 + 322 41 10.072000 3.641000 40.328000 21 " " I A 2 "ILE " "HG21" 1 0 2 1 322 10.41 + 323 41 9.787000 3.143000 41.981000 21 " " I A 2 "ILE " "HG22" 1 0 2 1 323 10.41 + 324 41 10.564000 4.668000 41.685000 21 " " I A 2 "ILE " "HG23" 1 0 2 1 324 10.41 + 325 41 12.694000 3.407000 38.025000 21 " " I A 2 "ILE " "HD11" 1 0 2 1 325 10.41 + 326 41 13.015000 1.839000 38.749000 21 " " I A 2 "ILE " "HD12" 1 0 2 1 326 10.41 + 327 41 11.389000 2.498000 38.783000 21 " " I A 2 "ILE " "HD13" 1 0 2 1 327 10.41 + 328 25 11.032000 3.639000 44.561000 22 " " T A 2 "THR " " N " 7 0 2 1 328 17.91 + 329 3 10.220000 3.376000 45.752000 22 " " T A 2 "THR " " CA " 6 0 2 1 329 17.91 + 330 2 8.839000 4.028000 45.609000 22 " " T A 2 "THR " " C " 6 0 2 1 330 17.91 + 331 15 8.736000 5.103000 45.024000 22 " " T A 2 "THR " " O " 8 0 2 1 331 14.74 + 332 3 10.949000 3.945000 47.002000 22 " " T A 2 "THR " " CB " 6 0 2 1 332 14.74 + 333 16 11.908000 2.990000 47.409000 22 " " T A 2 "THR " " OG1" 8 0 2 1 333 14.74 + 334 3 10.103000 4.296000 48.239000 22 " " T A 2 "THR " " CG2" 6 0 2 1 334 14.74 + 335 43 11.151000 4.612000 44.308000 22 " " T A 2 "THR " " H " 1 0 2 1 335 17.91 + 336 41 10.060000 2.309000 45.887000 22 " " T A 2 "THR " " HA " 1 0 2 1 336 17.91 + 337 41 11.499000 4.844000 46.719000 22 " " T A 2 "THR " " HB " 1 0 2 1 337 14.74 + 338 42 12.534000 2.862000 46.691000 22 " " T A 2 "THR " " HG1" 1 0 2 1 338 14.74 + 339 41 10.745000 4.567000 49.077000 22 " " T A 2 "THR " "HG21" 1 0 2 1 339 14.74 + 340 41 9.452000 5.147000 48.046000 22 " " T A 2 "THR " "HG22" 1 0 2 1 340 14.74 + 341 41 9.486000 3.455000 48.557000 22 " " T A 2 "THR " "HG23" 1 0 2 1 341 14.74 + 342 25 7.825000 3.363000 46.187000 23 " " C A 2 "CYS " " N " 7 0 2 1 342 14.71 + 343 3 6.465000 3.864000 46.360000 23 " " C A 2 "CYS " " CA " 6 0 2 1 343 14.71 + 344 2 5.993000 3.602000 47.791000 23 " " C A 2 "CYS " " C " 6 0 2 1 344 14.71 + 345 15 6.023000 2.456000 48.237000 23 " " C A 2 "CYS " " O " 8 0 2 1 345 13.8 + 346 3 5.506000 3.207000 45.351000 23 " " C A 2 "CYS " " CB " 6 0 2 1 346 13.8 + 347 49 5.466000 4.059000 43.763000 23 " " C A 2 "CYS " " SG " 16 0 2 1 347 13.8 + 348 43 8.020000 2.486000 46.656000 23 " " C A 2 "CYS " " H " 1 0 2 1 348 14.71 + 349 41 6.455000 4.940000 46.197000 23 " " C A 2 "CYS " " HA " 1 0 2 1 349 14.71 + 350 41 4.489000 3.243000 45.736000 23 " " C A 2 "CYS " " HB3" 1 0 2 1 350 13.8 + 351 41 5.737000 2.151000 45.199000 23 " " C A 2 "CYS " " HB2" 1 0 2 1 351 13.8 + 352 25 5.520000 4.670000 48.453000 24 " " K A 2 "LYS " " N " 7 0 2 1 352 17.08 + 353 3 4.853000 4.599000 49.750000 24 " " K A 2 "LYS " " CA " 6 0 2 1 353 17.08 + 354 2 3.358000 4.860000 49.532000 24 " " K A 2 "LYS " " C " 6 0 2 1 354 17.08 + 355 15 3.002000 5.929000 49.035000 24 " " K A 2 "LYS " " O " 8 0 2 1 355 41.39 + 356 3 5.403000 5.651000 50.740000 24 " " K A 2 "LYS " " CB " 6 0 2 1 356 41.39 + 357 3 6.926000 5.660000 50.956000 24 " " K A 2 "LYS " " CG " 6 0 2 1 357 41.39 + 358 3 7.657000 6.642000 50.024000 24 " " K A 2 "LYS " " CD " 6 0 2 1 358 41.39 + 359 3 9.083000 6.952000 50.496000 24 " " K A 2 "LYS " " CE " 6 0 2 1 359 41.39 + 360 32 9.737000 7.931000 49.612000 24 " " K A 2 "LYS " " NZ " 7 1 2 1 360 41.39 + 361 43 5.538000 5.581000 48.014000 24 " " K A 2 "LYS " " H " 1 0 2 1 361 17.08 + 362 41 4.998000 3.620000 50.202000 24 " " K A 2 "LYS " " HA " 1 0 2 1 362 17.08 + 363 41 4.930000 5.458000 51.705000 24 " " K A 2 "LYS " " HB3" 1 0 2 1 363 41.39 + 364 41 5.079000 6.655000 50.466000 24 " " K A 2 "LYS " " HB2" 1 0 2 1 364 41.39 + 365 41 7.333000 4.654000 50.841000 24 " " K A 2 "LYS " " HG3" 1 0 2 1 365 41.39 + 366 41 7.121000 5.942000 51.991000 24 " " K A 2 "LYS " " HG2" 1 0 2 1 366 41.39 + 367 41 7.095000 7.574000 49.950000 24 " " K A 2 "LYS " " HD3" 1 0 2 1 367 41.39 + 368 41 7.688000 6.232000 49.016000 24 " " K A 2 "LYS " " HD2" 1 0 2 1 368 41.39 + 369 41 9.681000 6.043000 50.539000 24 " " K A 2 "LYS " " HE3" 1 0 2 1 369 41.39 + 370 41 9.062000 7.365000 51.505000 24 " " K A 2 "LYS " " HE2" 1 0 2 1 370 41.39 + 371 44 9.802000 7.564000 48.671000 24 " " K A 2 "LYS " " HZ1" 1 0 2 1 371 41.39 + 372 44 9.200000 8.786000 49.598000 24 " " K A 2 "LYS " " HZ2" 1 0 2 1 372 41.39 + 373 44 10.667000 8.127000 49.955000 24 " " K A 2 "LYS " " HZ3" 1 0 2 1 373 41.39 + 374 25 2.511000 3.908000 49.943000 25 " " A A 2 "ALA " " N " 7 0 2 1 374 22.91 + 375 3 1.065000 4.098000 50.042000 25 " " A A 2 "ALA " " CA " 6 0 2 1 375 22.91 + 376 2 0.716000 4.759000 51.385000 25 " " A A 2 "ALA " " C " 6 0 2 1 376 22.91 + 377 15 1.397000 4.503000 52.377000 25 " " A A 2 "ALA " " O " 8 0 2 1 377 33.68 + 378 3 0.381000 2.731000 49.918000 25 " " A A 2 "ALA " " CB " 6 0 2 1 378 33.68 + 379 43 2.879000 3.051000 50.338000 25 " " A A 2 "ALA " " H " 1 0 2 1 379 22.91 + 380 41 0.722000 4.729000 49.223000 25 " " A A 2 "ALA " " HA " 1 0 2 1 380 22.91 + 381 41 -0.698000 2.842000 49.839000 25 " " A A 2 "ALA " " HB1" 1 0 2 1 381 33.68 + 382 41 0.719000 2.195000 49.033000 25 " " A A 2 "ALA " " HB2" 1 0 2 1 382 33.68 + 383 41 0.588000 2.096000 50.778000 25 " " A A 2 "ALA " " HB3" 1 0 2 1 383 33.68 + 384 25 -0.353000 5.572000 51.410000 26 " " S A 2 "SER " " N " 7 0 0 1 384 31.78 + 385 3 -0.846000 6.269000 52.606000 26 " " S A 2 "SER " " CA " 6 0 0 1 385 31.78 + 386 2 -1.725000 5.402000 53.541000 26 " " S A 2 "SER " " C " 6 0 0 1 386 31.78 + 387 15 -2.378000 5.956000 54.423000 26 " " S A 2 "SER " " O " 8 0 0 1 387 20.39 + 388 3 -1.500000 7.604000 52.187000 26 " " S A 2 "SER " " CB " 6 0 0 1 388 20.39 + 389 16 -2.793000 7.443000 51.641000 26 " " S A 2 "SER " " OG " 8 0 0 1 389 20.39 + 390 43 -0.855000 5.761000 50.552000 26 " " S A 2 "SER " " H " 1 0 0 1 390 31.78 + 391 41 0.028000 6.542000 53.200000 26 " " S A 2 "SER " " HA " 1 0 0 1 391 31.78 + 392 41 -0.872000 8.129000 51.466000 26 " " S A 2 "SER " " HB3" 1 0 0 1 392 20.39 + 393 41 -1.586000 8.261000 53.053000 26 " " S A 2 "SER " " HB2" 1 0 0 1 393 20.39 + 394 42 -3.393000 7.207000 52.353000 26 " " S A 2 "SER " " HG " 1 0 0 1 394 20.39 + 395 25 -1.692000 4.073000 53.350000 27 " " Q A 2 "GLN " " N " 7 0 0 1 395 11.6 + 396 3 -2.271000 3.015000 54.185000 27 " " Q A 2 "GLN " " CA " 6 0 0 1 396 11.6 + 397 2 -1.970000 1.653000 53.544000 27 " " Q A 2 "GLN " " C " 6 0 0 1 397 11.6 + 398 15 -1.532000 1.603000 52.394000 27 " " Q A 2 "GLN " " O " 8 0 0 1 398 62.04 + 399 3 -3.778000 3.222000 54.483000 27 " " Q A 2 "GLN " " CB " 6 0 0 1 399 62.04 + 400 3 -4.673000 3.455000 53.251000 27 " " Q A 2 "GLN " " CG " 6 0 0 1 400 62.04 + 401 2 -6.068000 3.921000 53.656000 27 " " Q A 2 "GLN " " CD " 6 0 0 1 401 62.04 + 402 15 -7.012000 3.138000 53.668000 27 " " Q A 2 "GLN " " OE1" 8 0 0 1 402 62.04 + 403 25 -6.201000 5.205000 53.996000 27 " " Q A 2 "GLN " " NE2" 7 0 0 1 403 62.04 + 404 43 -1.151000 3.722000 52.572000 27 " " Q A 2 "GLN " " H " 1 0 0 1 404 11.6 + 405 41 -1.734000 3.037000 55.135000 27 " " Q A 2 "GLN " " HA " 1 0 0 1 405 11.6 + 406 41 -3.882000 4.056000 55.177000 27 " " Q A 2 "GLN " " HB3" 1 0 0 1 406 62.04 + 407 41 -4.163000 2.363000 55.034000 27 " " Q A 2 "GLN " " HB2" 1 0 0 1 407 62.04 + 408 41 -4.742000 2.553000 52.642000 27 " " Q A 2 "GLN " " HG3" 1 0 0 1 408 62.04 + 409 41 -4.252000 4.230000 52.616000 27 " " Q A 2 "GLN " " HG2" 1 0 0 1 409 62.04 + 410 43 -7.108000 5.562000 54.261000 27 " " Q A 2 "GLN " "HE22" 1 0 0 1 410 62.04 + 411 43 -5.403000 5.824000 53.990000 27 " " Q A 2 "GLN " "HE21" 1 0 0 1 411 62.04 + 412 25 -2.180000 0.577000 54.323000 28 " " D A 2 "ASP " " N " 7 0 0 1 412 21.87 + 413 3 -1.956000 -0.819000 53.941000 28 " " D A 2 "ASP " " CA " 6 0 0 1 413 21.87 + 414 2 -2.789000 -1.187000 52.696000 28 " " D A 2 "ASP " " C " 6 0 0 1 414 21.87 + 415 15 -3.999000 -1.383000 52.808000 28 " " D A 2 "ASP " " O " 8 0 0 1 415 36.53 + 416 3 -2.214000 -1.755000 55.153000 28 " " D A 2 "ASP " " CB " 6 0 0 1 416 36.53 + 417 2 -1.856000 -3.240000 54.975000 28 " " D A 2 "ASP " " CG " 6 0 0 1 417 36.53 + 418 15 -1.528000 -3.658000 53.843000 28 " " D A 2 "ASP " " OD1" 8 0 0 1 418 36.53 + 419 18 -1.919000 -3.950000 56.001000 28 " " D A 2 "ASP " " OD2" 8 -1 0 1 419 36.53 + 420 43 -2.539000 0.715000 55.257000 28 " " D A 2 "ASP " " H " 1 0 0 1 420 21.87 + 421 41 -0.900000 -0.900000 53.686000 28 " " D A 2 "ASP " " HA " 1 0 0 1 421 21.87 + 422 41 -3.266000 -1.696000 55.437000 28 " " D A 2 "ASP " " HB3" 1 0 0 1 422 36.53 + 423 41 -1.625000 -1.383000 55.992000 28 " " D A 2 "ASP " " HB2" 1 0 0 1 423 36.53 + 424 25 -2.108000 -1.263000 51.541000 29 " " I A 2 "ILE " " N " 7 0 0 1 424 2.48 + 425 3 -2.691000 -1.675000 50.261000 29 " " I A 2 "ILE " " CA " 6 0 0 1 425 2.48 + 426 2 -2.569000 -3.192000 50.007000 29 " " I A 2 "ILE " " C " 6 0 0 1 426 2.48 + 427 15 -3.034000 -3.649000 48.966000 29 " " I A 2 "ILE " " O " 8 0 0 1 427 2.48 + 428 3 -2.097000 -0.886000 49.059000 29 " " I A 2 "ILE " " CB " 6 0 0 1 428 2.48 + 429 3 -0.558000 -0.943000 48.975000 29 " " I A 2 "ILE " " CG1" 6 0 0 1 429 2.48 + 430 3 -2.621000 0.562000 49.049000 29 " " I A 2 "ILE " " CG2" 6 0 0 1 430 2.48 + 431 3 -0.012000 -0.463000 47.627000 29 " " I A 2 "ILE " " CD1" 6 0 0 1 431 2.48 + 432 43 -1.118000 -1.061000 51.536000 29 " " I A 2 "ILE " " H " 1 0 0 1 432 2.48 + 433 41 -3.763000 -1.470000 50.282000 29 " " I A 2 "ILE " " HA " 1 0 0 1 433 2.48 + 434 41 -2.478000 -1.333000 48.139000 29 " " I A 2 "ILE " " HB " 1 0 0 1 434 2.48 + 435 41 -0.213000 -1.964000 49.133000 29 " " I A 2 "ILE " "HG13" 1 0 0 1 435 2.48 + 436 41 -0.123000 -0.344000 49.776000 29 " " I A 2 "ILE " "HG12" 1 0 0 1 436 2.48 + 437 41 -2.300000 1.112000 48.165000 29 " " I A 2 "ILE " "HG21" 1 0 0 1 437 2.48 + 438 41 -3.711000 0.580000 49.053000 29 " " I A 2 "ILE " "HG22" 1 0 0 1 438 2.48 + 439 41 -2.283000 1.112000 49.924000 29 " " I A 2 "ILE " "HG23" 1 0 0 1 439 2.48 + 440 41 1.062000 -0.618000 47.557000 29 " " I A 2 "ILE " "HD11" 1 0 0 1 440 2.48 + 441 41 -0.475000 -1.007000 46.804000 29 " " I A 2 "ILE " "HD12" 1 0 0 1 441 2.48 + 442 41 -0.190000 0.600000 47.470000 29 " " I A 2 "ILE " "HD13" 1 0 0 1 442 2.48 + 443 25 -2.020000 -3.950000 50.979000 30 " " R A 2 "ARG " " N " 7 0 0 1 443 2.48 + 444 3 -2.071000 -5.415000 51.089000 30 " " R A 2 "ARG " " CA " 6 0 0 1 444 2.48 + 445 2 -1.412000 -6.141000 49.905000 30 " " R A 2 "ARG " " C " 6 0 0 1 445 2.48 + 446 15 -1.937000 -7.147000 49.428000 30 " " R A 2 "ARG " " O " 8 0 0 1 446 11.72 + 447 3 -3.527000 -5.881000 51.337000 30 " " R A 2 "ARG " " CB " 6 0 0 1 447 11.72 + 448 3 -4.164000 -5.293000 52.611000 30 " " R A 2 "ARG " " CG " 6 0 0 1 448 11.72 + 449 3 -5.697000 -5.338000 52.600000 30 " " R A 2 "ARG " " CD " 6 0 0 1 449 11.72 + 450 25 -6.254000 -4.331000 51.675000 30 " " R A 2 "ARG " " NE " 7 0 0 1 450 11.72 + 451 2 -6.845000 -4.538000 50.484000 30 " " R A 2 "ARG " " CZ " 6 0 0 1 451 11.72 + 452 25 -7.017000 -5.766000 49.978000 30 " " R A 2 "ARG " " NH1" 7 0 0 1 452 11.72 + 453 31 -7.287000 -3.487000 49.784000 30 " " R A 2 "ARG " " NH2" 7 1 0 1 453 11.72 + 454 43 -1.688000 -3.488000 51.818000 30 " " R A 2 "ARG " " H " 1 0 0 1 454 2.48 + 455 41 -1.482000 -5.678000 51.968000 30 " " R A 2 "ARG " " HA " 1 0 0 1 455 2.48 + 456 41 -3.576000 -6.968000 51.409000 30 " " R A 2 "ARG " " HB3" 1 0 0 1 456 11.72 + 457 41 -4.132000 -5.614000 50.472000 30 " " R A 2 "ARG " " HB2" 1 0 0 1 457 11.72 + 458 41 -3.917000 -4.233000 52.651000 30 " " R A 2 "ARG " " HG3" 1 0 0 1 458 11.72 + 459 41 -3.742000 -5.714000 53.524000 30 " " R A 2 "ARG " " HG2" 1 0 0 1 459 11.72 + 460 41 -6.096000 -5.230000 53.609000 30 " " R A 2 "ARG " " HD3" 1 0 0 1 460 11.72 + 461 41 -6.023000 -6.318000 52.257000 30 " " R A 2 "ARG " " HD2" 1 0 0 1 461 11.72 + 462 43 -6.144000 -3.371000 51.976000 30 " " R A 2 "ARG " " HE " 1 0 0 1 462 11.72 + 463 43 -7.467000 -5.893000 49.082000 30 " " R A 2 "ARG " "HH12" 1 0 0 1 463 11.72 + 464 43 -6.700000 -6.572000 50.495000 30 " " R A 2 "ARG " "HH11" 1 0 0 1 464 11.72 + 465 44 -7.741000 -3.616000 48.890000 30 " " R A 2 "ARG " "HH22" 1 0 0 1 465 11.72 + 466 44 -7.274000 -2.549000 50.182000 30 " " R A 2 "ARG " "HH21" 1 0 0 1 466 11.72 + 467 25 -0.274000 -5.594000 49.448000 31 " " K A 2 "LYS " " N " 7 0 0 1 467 11.24 + 468 3 0.541000 -6.086000 48.336000 31 " " K A 2 "LYS " " CA " 6 0 0 1 468 11.24 + 469 2 -0.151000 -6.004000 46.967000 31 " " K A 2 "LYS " " C " 6 0 0 1 469 11.24 + 470 15 0.363000 -6.586000 46.019000 31 " " K A 2 "LYS " " O " 8 0 0 1 470 30.64 + 471 3 1.106000 -7.492000 48.644000 31 " " K A 2 "LYS " " CB " 6 0 0 1 471 30.64 + 472 3 2.056000 -7.511000 49.857000 31 " " K A 2 "LYS " " CG " 6 0 0 1 472 30.64 + 473 3 2.035000 -8.843000 50.626000 31 " " K A 2 "LYS " " CD " 6 0 0 1 473 30.64 + 474 3 2.281000 -10.095000 49.767000 31 " " K A 2 "LYS " " CE " 6 0 0 1 474 30.64 + 475 32 3.578000 -10.037000 49.073000 31 " " K A 2 "LYS " " NZ " 7 1 0 1 475 30.64 + 476 43 0.080000 -4.761000 49.899000 31 " " K A 2 "LYS " " H " 1 0 0 1 476 11.24 + 477 41 1.382000 -5.400000 48.262000 31 " " K A 2 "LYS " " HA " 1 0 0 1 477 11.24 + 478 41 1.645000 -7.895000 47.785000 31 " " K A 2 "LYS " " HB3" 1 0 0 1 478 30.64 + 479 41 0.280000 -8.184000 48.806000 31 " " K A 2 "LYS " " HB2" 1 0 0 1 479 30.64 + 480 41 1.802000 -6.716000 50.558000 31 " " K A 2 "LYS " " HG3" 1 0 0 1 480 30.64 + 481 41 3.070000 -7.286000 49.524000 31 " " K A 2 "LYS " " HG2" 1 0 0 1 481 30.64 + 482 41 1.075000 -8.944000 51.133000 31 " " K A 2 "LYS " " HD3" 1 0 0 1 482 30.64 + 483 41 2.781000 -8.800000 51.420000 31 " " K A 2 "LYS " " HD2" 1 0 0 1 483 30.64 + 484 41 1.491000 -10.223000 49.027000 31 " " K A 2 "LYS " " HE3" 1 0 0 1 484 30.64 + 485 41 2.263000 -10.984000 50.398000 31 " " K A 2 "LYS " " HE2" 1 0 0 1 485 30.64 + 486 44 3.594000 -9.235000 48.460000 31 " " K A 2 "LYS " " HZ1" 1 0 0 1 486 30.64 + 487 44 4.324000 -9.955000 49.750000 31 " " K A 2 "LYS " " HZ2" 1 0 0 1 487 30.64 + 488 44 3.709000 -10.876000 48.527000 31 " " K A 2 "LYS " " HZ3" 1 0 0 1 488 30.64 + 489 25 -1.252000 -5.242000 46.849000 32 " " Y A 2 "TYR " " N " 7 0 0 1 489 2.48 + 490 3 -1.866000 -4.898000 45.568000 32 " " Y A 2 "TYR " " CA " 6 0 0 1 490 2.48 + 491 2 -1.179000 -3.656000 45.003000 32 " " Y A 2 "TYR " " C " 6 0 0 1 491 2.48 + 492 15 -1.799000 -2.600000 44.907000 32 " " Y A 2 "TYR " " O " 8 0 0 1 492 2.48 + 493 3 -3.387000 -4.732000 45.725000 32 " " Y A 2 "TYR " " CB " 6 0 0 1 493 2.48 + 494 2 -4.081000 -6.028000 46.086000 32 " " Y A 2 "TYR " " CG " 6 0 0 1 494 2.48 + 495 2 -4.243000 -7.026000 45.104000 32 " " Y A 2 "TYR " " CD1" 6 0 0 1 495 2.48 + 496 2 -4.522000 -6.262000 47.404000 32 " " Y A 2 "TYR " " CD2" 6 0 0 1 496 2.48 + 497 2 -4.823000 -8.262000 45.444000 32 " " Y A 2 "TYR " " CE1" 6 0 0 1 497 2.48 + 498 2 -5.089000 -7.502000 47.747000 32 " " Y A 2 "TYR " " CE2" 6 0 0 1 498 2.48 + 499 2 -5.239000 -8.503000 46.769000 32 " " Y A 2 "TYR " " CZ " 6 0 0 1 499 2.48 + 500 16 -5.782000 -9.706000 47.109000 32 " " Y A 2 "TYR " " OH " 8 0 0 1 500 2.48 + 501 43 -1.644000 -4.794000 47.667000 32 " " Y A 2 "TYR " " H " 1 0 0 1 501 2.48 + 502 41 -1.702000 -5.707000 44.853000 32 " " Y A 2 "TYR " " HA " 1 0 0 1 502 2.48 + 503 41 -3.817000 -4.391000 44.783000 32 " " Y A 2 "TYR " " HB3" 1 0 0 1 503 2.48 + 504 41 -3.619000 -3.963000 46.461000 32 " " Y A 2 "TYR " " HB2" 1 0 0 1 504 2.48 + 505 41 -3.908000 -6.854000 44.093000 32 " " Y A 2 "TYR " " HD1" 1 0 0 1 505 2.48 + 506 41 -4.411000 -5.506000 48.162000 32 " " Y A 2 "TYR " " HD2" 1 0 0 1 506 2.48 + 507 41 -4.934000 -9.027000 44.689000 32 " " Y A 2 "TYR " " HE1" 1 0 0 1 507 2.48 + 508 41 -5.401000 -7.690000 48.763000 32 " " Y A 2 "TYR " " HE2" 1 0 0 1 508 2.48 + 509 42 -5.840000 -10.317000 46.370000 32 " " Y A 2 "TYR " " HH " 1 0 0 1 509 2.48 + 510 25 0.101000 -3.838000 44.648000 33 " " L A 2 "LEU " " N " 7 0 2 1 510 27.4 + 511 3 0.919000 -2.879000 43.932000 33 " " L A 2 "LEU " " CA " 6 0 2 1 511 27.4 + 512 2 1.516000 -3.594000 42.718000 33 " " L A 2 "LEU " " C " 6 0 2 1 512 27.4 + 513 15 2.007000 -4.716000 42.844000 33 " " L A 2 "LEU " " O " 8 0 2 1 513 2.48 + 514 3 2.046000 -2.343000 44.835000 33 " " L A 2 "LEU " " CB " 6 0 2 1 514 2.48 + 515 3 2.645000 -1.028000 44.280000 33 " " L A 2 "LEU " " CG " 6 0 2 1 515 2.48 + 516 3 1.871000 0.193000 44.802000 33 " " L A 2 "LEU " " CD1" 6 0 2 1 516 2.48 + 517 3 4.162000 -0.911000 44.480000 33 " " L A 2 "LEU " " CD2" 6 0 2 1 517 2.48 + 518 43 0.521000 -4.747000 44.787000 33 " " L A 2 "LEU " " H " 1 0 2 1 518 27.4 + 519 41 0.298000 -2.048000 43.595000 33 " " L A 2 "LEU " " HA " 1 0 2 1 519 27.4 + 520 41 2.812000 -3.113000 44.937000 33 " " L A 2 "LEU " " HB3" 1 0 2 1 520 2.48 + 521 41 1.684000 -2.179000 45.850000 33 " " L A 2 "LEU " " HB2" 1 0 2 1 521 2.48 + 522 41 2.507000 -1.024000 43.199000 33 " " L A 2 "LEU " " HG " 1 0 2 1 522 2.48 + 523 41 1.800000 0.974000 44.046000 33 " " L A 2 "LEU " "HD11" 1 0 2 1 523 2.48 + 524 41 0.846000 -0.063000 45.064000 33 " " L A 2 "LEU " "HD12" 1 0 2 1 524 2.48 + 525 41 2.342000 0.617000 45.687000 33 " " L A 2 "LEU " "HD13" 1 0 2 1 525 2.48 + 526 41 4.431000 -0.051000 45.091000 33 " " L A 2 "LEU " "HD21" 1 0 2 1 526 2.48 + 527 41 4.587000 -1.803000 44.935000 33 " " L A 2 "LEU " "HD22" 1 0 2 1 527 2.48 + 528 41 4.656000 -0.781000 43.518000 33 " " L A 2 "LEU " "HD23" 1 0 2 1 528 2.48 + 529 25 1.482000 -2.901000 41.577000 34 " " N A 2 "ASN " " N " 7 0 2 1 529 8.3 + 530 3 2.049000 -3.349000 40.313000 34 " " N A 2 "ASN " " CA " 6 0 2 1 530 8.3 + 531 2 3.001000 -2.271000 39.802000 34 " " N A 2 "ASN " " C " 6 0 2 1 531 8.3 + 532 15 2.658000 -1.095000 39.858000 34 " " N A 2 "ASN " " O " 8 0 2 1 532 2.48 + 533 3 0.922000 -3.535000 39.279000 34 " " N A 2 "ASN " " CB " 6 0 2 1 533 2.48 + 534 2 -0.115000 -4.608000 39.601000 34 " " N A 2 "ASN " " CG " 6 0 2 1 534 2.48 + 535 15 0.076000 -5.464000 40.460000 34 " " N A 2 "ASN " " OD1" 8 0 2 1 535 2.48 + 536 25 -1.242000 -4.559000 38.896000 34 " " N A 2 "ASN " " ND2" 7 0 2 1 536 2.48 + 537 43 1.030000 -1.995000 41.559000 34 " " N A 2 "ASN " " H " 1 0 2 1 537 8.3 + 538 41 2.599000 -4.278000 40.451000 34 " " N A 2 "ASN " " HA " 1 0 2 1 538 8.3 + 539 41 1.349000 -3.778000 38.304000 34 " " N A 2 "ASN " " HB3" 1 0 2 1 539 2.48 + 540 41 0.390000 -2.590000 39.178000 34 " " N A 2 "ASN " " HB2" 1 0 2 1 540 2.48 + 541 43 -1.972000 -5.236000 39.076000 34 " " N A 2 "ASN " "HD22" 1 0 2 1 541 2.48 + 542 43 -1.383000 -3.847000 38.193000 34 " " N A 2 "ASN " "HD21" 1 0 2 1 542 2.48 + 543 25 4.145000 -2.696000 39.257000 35 " " W A 2 "TRP " " N " 7 0 2 1 543 2.48 + 544 3 5.107000 -1.837000 38.582000 35 " " W A 2 "TRP " " CA " 6 0 2 1 544 2.48 + 545 2 4.921000 -1.936000 37.064000 35 " " W A 2 "TRP " " C " 6 0 2 1 545 2.48 + 546 15 4.826000 -3.042000 36.536000 35 " " W A 2 "TRP " " O " 8 0 2 1 546 2.48 + 547 3 6.525000 -2.232000 39.012000 35 " " W A 2 "TRP " " CB " 6 0 2 1 547 2.48 + 548 2 6.814000 -1.972000 40.459000 35 " " W A 2 "TRP " " CG " 6 0 2 1 548 2.48 + 549 2 6.762000 -2.872000 41.468000 35 " " W A 2 "TRP " " CD1" 6 0 2 1 549 2.48 + 550 2 7.109000 -0.690000 41.084000 35 " " W A 2 "TRP " " CD2" 6 0 2 1 550 2.48 + 551 25 7.041000 -2.242000 42.664000 35 " " W A 2 "TRP " " NE1" 7 0 2 1 551 2.48 + 552 2 7.259000 -0.892000 42.489000 35 " " W A 2 "TRP " " CE2" 6 0 2 1 552 2.48 + 553 2 7.276000 0.626000 40.598000 35 " " W A 2 "TRP " " CE3" 6 0 2 1 553 2.48 + 554 2 7.563000 0.161000 43.371000 35 " " W A 2 "TRP " " CZ2" 6 0 2 1 554 2.48 + 555 2 7.596000 1.682000 41.471000 35 " " W A 2 "TRP " " CZ3" 6 0 2 1 555 2.48 + 556 2 7.745000 1.453000 42.852000 35 " " W A 2 "TRP " " CH2" 6 0 2 1 556 2.48 + 557 43 4.318000 -3.692000 39.194000 35 " " W A 2 "TRP " " H " 1 0 2 1 557 2.48 + 558 41 4.956000 -0.802000 38.885000 35 " " W A 2 "TRP " " HA " 1 0 2 1 558 2.48 + 559 41 7.240000 -1.649000 38.432000 35 " " W A 2 "TRP " " HB3" 1 0 2 1 559 2.48 + 560 41 6.725000 -3.278000 38.779000 35 " " W A 2 "TRP " " HB2" 1 0 2 1 560 2.48 + 561 41 6.533000 -3.919000 41.347000 35 " " W A 2 "TRP " " HD1" 1 0 2 1 561 2.48 + 562 43 7.066000 -2.736000 43.546000 35 " " W A 2 "TRP " " HE1" 1 0 2 1 562 2.48 + 563 41 7.166000 0.822000 39.542000 35 " " W A 2 "TRP " " HE3" 1 0 2 1 563 2.48 + 564 41 7.662000 -0.022000 44.430000 35 " " W A 2 "TRP " " HZ2" 1 0 2 1 564 2.48 + 565 41 7.719000 2.676000 41.077000 35 " " W A 2 "TRP " " HZ3" 1 0 2 1 565 2.48 + 566 41 7.987000 2.272000 43.511000 35 " " W A 2 "TRP " " HH2" 1 0 2 1 566 2.48 + 567 25 4.877000 -0.768000 36.406000 36 " " Y A 2 "TYR " " N " 7 0 2 1 567 2.48 + 568 3 4.678000 -0.600000 34.970000 36 " " Y A 2 "TYR " " CA " 6 0 2 1 568 2.48 + 569 2 5.830000 0.203000 34.378000 36 " " Y A 2 "TYR " " C " 6 0 2 1 569 2.48 + 570 15 6.052000 1.323000 34.821000 36 " " Y A 2 "TYR " " O " 8 0 2 1 570 7.1 + 571 3 3.358000 0.154000 34.709000 36 " " Y A 2 "TYR " " CB " 6 0 2 1 571 7.1 + 572 2 2.140000 -0.718000 34.885000 36 " " Y A 2 "TYR " " CG " 6 0 2 1 572 7.1 + 573 2 1.509000 -0.810000 36.142000 36 " " Y A 2 "TYR " " CD1" 6 0 2 1 573 7.1 + 574 2 1.673000 -1.486000 33.800000 36 " " Y A 2 "TYR " " CD2" 6 0 2 1 574 7.1 + 575 2 0.448000 -1.714000 36.320000 36 " " Y A 2 "TYR " " CE1" 6 0 2 1 575 7.1 + 576 2 0.624000 -2.401000 33.989000 36 " " Y A 2 "TYR " " CE2" 6 0 2 1 576 7.1 + 577 2 0.037000 -2.539000 35.260000 36 " " Y A 2 "TYR " " CZ " 6 0 2 1 577 7.1 + 578 16 -0.916000 -3.486000 35.474000 36 " " Y A 2 "TYR " " OH " 8 0 2 1 578 7.1 + 579 43 4.952000 0.092000 36.935000 36 " " Y A 2 "TYR " " H " 1 0 2 1 579 2.48 + 580 41 4.631000 -1.577000 34.491000 36 " " Y A 2 "TYR " " HA " 1 0 2 1 580 2.48 + 581 41 3.337000 0.522000 33.682000 36 " " Y A 2 "TYR " " HB3" 1 0 2 1 581 7.1 + 582 41 3.279000 1.038000 35.344000 36 " " Y A 2 "TYR " " HB2" 1 0 2 1 582 7.1 + 583 41 1.855000 -0.214000 36.975000 36 " " Y A 2 "TYR " " HD1" 1 0 2 1 583 7.1 + 584 41 2.145000 -1.407000 32.831000 36 " " Y A 2 "TYR " " HD2" 1 0 2 1 584 7.1 + 585 41 -0.044000 -1.793000 37.273000 36 " " Y A 2 "TYR " " HE1" 1 0 2 1 585 7.1 + 586 41 0.290000 -3.010000 33.163000 36 " " Y A 2 "TYR " " HE2" 1 0 2 1 586 7.1 + 587 42 -1.048000 -4.037000 34.698000 36 " " Y A 2 "TYR " " HH " 1 0 2 1 587 7.1 + 588 25 6.479000 -0.350000 33.346000 37 " " Q A 2 "GLN " " N " 7 0 2 1 588 8.91 + 589 3 7.432000 0.346000 32.490000 37 " " Q A 2 "GLN " " CA " 6 0 2 1 589 8.91 + 590 2 6.674000 0.921000 31.288000 37 " " Q A 2 "GLN " " C " 6 0 2 1 590 8.91 + 591 15 5.959000 0.177000 30.622000 37 " " Q A 2 "GLN " " O " 8 0 2 1 591 2.48 + 592 3 8.490000 -0.666000 32.002000 37 " " Q A 2 "GLN " " CB " 6 0 2 1 592 2.48 + 593 3 9.637000 -0.036000 31.193000 37 " " Q A 2 "GLN " " CG " 6 0 2 1 593 2.48 + 594 2 10.512000 -1.096000 30.530000 37 " " Q A 2 "GLN " " CD " 6 0 2 1 594 2.48 + 595 15 10.067000 -1.776000 29.608000 37 " " Q A 2 "GLN " " OE1" 8 0 2 1 595 2.48 + 596 25 11.763000 -1.229000 30.977000 37 " " Q A 2 "GLN " " NE2" 7 0 2 1 596 2.48 + 597 43 6.188000 -1.264000 33.020000 37 " " Q A 2 "GLN " " H " 1 0 2 1 597 8.91 + 598 41 7.931000 1.145000 33.043000 37 " " Q A 2 "GLN " " HA " 1 0 2 1 598 8.91 + 599 41 8.002000 -1.448000 31.416000 37 " " Q A 2 "GLN " " HB3" 1 0 2 1 599 2.48 + 600 41 8.927000 -1.172000 32.857000 37 " " Q A 2 "GLN " " HB2" 1 0 2 1 600 2.48 + 601 41 10.235000 0.608000 31.839000 37 " " Q A 2 "GLN " " HG3" 1 0 2 1 601 2.48 + 602 41 9.251000 0.594000 30.392000 37 " " Q A 2 "GLN " " HG2" 1 0 2 1 602 2.48 + 603 43 12.383000 -1.905000 30.554000 37 " " Q A 2 "GLN " "HE22" 1 0 2 1 603 2.48 + 604 43 12.105000 -0.661000 31.741000 37 " " Q A 2 "GLN " "HE21" 1 0 2 1 604 2.48 + 605 25 6.894000 2.204000 30.990000 38 " " Q A 2 "GLN " " N " 7 0 2 1 605 8.21 + 606 3 6.397000 2.849000 29.787000 38 " " Q A 2 "GLN " " CA " 6 0 2 1 606 8.21 + 607 2 7.602000 3.428000 29.046000 38 " " Q A 2 "GLN " " C " 6 0 2 1 607 8.21 + 608 15 8.181000 4.424000 29.480000 38 " " Q A 2 "GLN " " O " 8 0 2 1 608 2.48 + 609 3 5.356000 3.925000 30.153000 38 " " Q A 2 "GLN " " CB " 6 0 2 1 609 2.48 + 610 3 4.597000 4.428000 28.911000 38 " " Q A 2 "GLN " " CG " 6 0 2 1 610 2.48 + 611 2 3.629000 5.573000 29.196000 38 " " Q A 2 "GLN " " CD " 6 0 2 1 611 2.48 + 612 15 3.863000 6.404000 30.071000 38 " " Q A 2 "GLN " " OE1" 8 0 2 1 612 2.48 + 613 25 2.554000 5.645000 28.412000 38 " " Q A 2 "GLN " " NE2" 7 0 2 1 613 2.48 + 614 43 7.466000 2.775000 31.601000 38 " " Q A 2 "GLN " " H " 1 0 2 1 614 8.21 + 615 41 5.908000 2.126000 29.130000 38 " " Q A 2 "GLN " " HA " 1 0 2 1 615 8.21 + 616 41 5.845000 4.752000 30.670000 38 " " Q A 2 "GLN " " HB3" 1 0 2 1 616 2.48 + 617 41 4.635000 3.509000 30.859000 38 " " Q A 2 "GLN " " HB2" 1 0 2 1 617 2.48 + 618 41 4.055000 3.596000 28.461000 38 " " Q A 2 "GLN " " HG3" 1 0 2 1 618 2.48 + 619 41 5.295000 4.791000 28.159000 38 " " Q A 2 "GLN " " HG2" 1 0 2 1 619 2.48 + 620 43 1.890000 6.401000 28.531000 38 " " Q A 2 "GLN " "HE22" 1 0 2 1 620 2.48 + 621 43 2.416000 4.978000 27.665000 38 " " Q A 2 "GLN " "HE21" 1 0 2 1 621 2.48 + 622 25 7.928000 2.799000 27.909000 39 " " K A 2 "LYS " " N " 7 0 0 1 622 16.49 + 623 3 8.827000 3.343000 26.896000 39 " " K A 2 "LYS " " CA " 6 0 0 1 623 16.49 + 624 2 8.205000 4.587000 26.215000 39 " " K A 2 "LYS " " C " 6 0 0 1 624 16.49 + 625 15 6.981000 4.724000 26.235000 39 " " K A 2 "LYS " " O " 8 0 0 1 625 24.43 + 626 3 9.116000 2.218000 25.880000 39 " " K A 2 "LYS " " CB " 6 0 0 1 626 24.43 + 627 3 10.113000 1.160000 26.379000 39 " " K A 2 "LYS " " CG " 6 0 0 1 627 24.43 + 628 3 11.551000 1.685000 26.395000 39 " " K A 2 "LYS " " CD " 6 0 0 1 628 24.43 + 629 3 12.546000 0.689000 26.984000 39 " " K A 2 "LYS " " CE " 6 0 0 1 629 24.43 + 630 32 13.887000 1.280000 26.985000 39 " " K A 2 "LYS " " NZ " 7 1 0 1 630 24.43 + 631 43 7.416000 1.971000 27.641000 39 " " K A 2 "LYS " " H " 1 0 0 1 631 16.49 + 632 41 9.734000 3.626000 27.426000 39 " " K A 2 "LYS " " HA " 1 0 0 1 632 16.49 + 633 41 9.495000 2.631000 24.943000 39 " " K A 2 "LYS " " HB3" 1 0 0 1 633 24.43 + 634 41 8.178000 1.724000 25.633000 39 " " K A 2 "LYS " " HB2" 1 0 0 1 634 24.43 + 635 41 10.058000 0.283000 25.734000 39 " " K A 2 "LYS " " HG3" 1 0 0 1 635 24.43 + 636 41 9.829000 0.822000 27.376000 39 " " K A 2 "LYS " " HG2" 1 0 0 1 636 24.43 + 637 41 11.610000 2.618000 26.952000 39 " " K A 2 "LYS " " HD3" 1 0 0 1 637 24.43 + 638 41 11.851000 1.929000 25.374000 39 " " K A 2 "LYS " " HD2" 1 0 0 1 638 24.43 + 639 41 12.562000 -0.237000 26.408000 39 " " K A 2 "LYS " " HE3" 1 0 0 1 639 24.43 + 640 41 12.272000 0.434000 28.008000 39 " " K A 2 "LYS " " HE2" 1 0 0 1 640 24.43 + 641 44 14.531000 0.638000 27.423000 39 " " K A 2 "LYS " " HZ1" 1 0 0 1 641 24.43 + 642 44 14.180000 1.461000 26.031000 39 " " K A 2 "LYS " " HZ2" 1 0 0 1 642 24.43 + 643 44 13.873000 2.153000 27.498000 39 " " K A 2 "LYS " " HZ3" 1 0 0 1 643 24.43 + 644 25 9.030000 5.472000 25.610000 40 " " P A 2 "PRO " " N " 7 0 0 1 644 15.25 + 645 3 8.519000 6.603000 24.807000 40 " " P A 2 "PRO " " CA " 6 0 0 1 645 15.25 + 646 2 7.609000 6.155000 23.647000 40 " " P A 2 "PRO " " C " 6 0 0 1 646 15.25 + 647 15 8.012000 5.289000 22.869000 40 " " P A 2 "PRO " " O " 8 0 0 1 647 46.14 + 648 3 9.794000 7.301000 24.301000 40 " " P A 2 "PRO " " CB " 6 0 0 1 648 46.14 + 649 3 10.873000 6.899000 25.291000 40 " " P A 2 "PRO " " CG " 6 0 0 1 649 46.14 + 650 3 10.492000 5.476000 25.663000 40 " " P A 2 "PRO " " CD " 6 0 0 1 650 46.14 + 651 41 7.980000 7.273000 25.480000 40 " " P A 2 "PRO " " HA " 1 0 0 1 651 15.25 + 652 41 9.683000 8.384000 24.233000 40 " " P A 2 "PRO " " HB3" 1 0 0 1 652 46.14 + 653 41 10.074000 6.941000 23.309000 40 " " P A 2 "PRO " " HB2" 1 0 0 1 653 46.14 + 654 41 10.805000 7.534000 26.176000 40 " " P A 2 "PRO " " HG3" 1 0 0 1 654 46.14 + 655 41 11.885000 6.981000 24.896000 40 " " P A 2 "PRO " " HG2" 1 0 0 1 655 46.14 + 656 41 10.876000 4.766000 24.929000 40 " " P A 2 "PRO " " HD2" 1 0 0 1 656 46.14 + 657 41 10.907000 5.227000 26.639000 40 " " P A 2 "PRO " " HD3" 1 0 0 1 657 46.14 + 658 25 6.396000 6.734000 23.584000 41 " " W A 2 "TRP " " N " 7 0 0 1 658 30.2 + 659 3 5.369000 6.485000 22.559000 41 " " W A 2 "TRP " " CA " 6 0 0 1 659 30.2 + 660 2 4.902000 5.017000 22.520000 41 " " W A 2 "TRP " " C " 6 0 0 1 660 30.2 + 661 15 4.829000 4.414000 21.449000 41 " " W A 2 "TRP " " O " 8 0 0 1 661 103.49 + 662 3 5.833000 7.013000 21.181000 41 " " W A 2 "TRP " " CB " 6 0 0 1 662 103.49 + 663 2 6.212000 8.462000 21.164000 41 " " W A 2 "TRP " " CG " 6 0 0 1 663 103.49 + 664 2 7.460000 8.955000 21.341000 41 " " W A 2 "TRP " " CD1" 6 0 0 1 664 103.49 + 665 2 5.334000 9.622000 21.058000 41 " " W A 2 "TRP " " CD2" 6 0 0 1 665 103.49 + 666 25 7.417000 10.333000 21.338000 41 " " W A 2 "TRP " " NE1" 7 0 0 1 666 103.49 + 667 2 6.130000 10.803000 21.165000 41 " " W A 2 "TRP " " CE2" 6 0 0 1 667 103.49 + 668 2 3.940000 9.799000 20.886000 41 " " W A 2 "TRP " " CE3" 6 0 0 1 668 103.49 + 669 2 5.574000 12.093000 21.094000 41 " " W A 2 "TRP " " CZ2" 6 0 0 1 669 103.49 + 670 2 3.372000 11.087000 20.809000 41 " " W A 2 "TRP " " CZ3" 6 0 0 1 670 103.49 + 671 2 4.186000 12.232000 20.910000 41 " " W A 2 "TRP " " CH2" 6 0 0 1 671 103.49 + 672 43 6.153000 7.427000 24.278000 41 " " W A 2 "TRP " " H " 1 0 0 1 672 30.2 + 673 41 4.498000 7.069000 22.858000 41 " " W A 2 "TRP " " HA " 1 0 0 1 673 30.2 + 674 41 5.037000 6.877000 20.447000 41 " " W A 2 "TRP " " HB3" 1 0 0 1 674 103.49 + 675 41 6.681000 6.434000 20.812000 41 " " W A 2 "TRP " " HB2" 1 0 0 1 675 103.49 + 676 41 8.343000 8.347000 21.477000 41 " " W A 2 "TRP " " HD1" 1 0 0 1 676 103.49 + 677 43 8.241000 10.905000 21.457000 41 " " W A 2 "TRP " " HE1" 1 0 0 1 677 103.49 + 678 41 3.302000 8.931000 20.805000 41 " " W A 2 "TRP " " HE3" 1 0 0 1 678 103.49 + 679 41 6.202000 12.967000 21.177000 41 " " W A 2 "TRP " " HZ2" 1 0 0 1 679 103.49 + 680 41 2.306000 11.197000 20.670000 41 " " W A 2 "TRP " " HZ3" 1 0 0 1 680 103.49 + 681 41 3.744000 13.216000 20.846000 41 " " W A 2 "TRP " " HH2" 1 0 0 1 681 103.49 + 682 25 4.623000 4.471000 23.712000 42 " " K A 2 "LYS " " N " 7 0 0 1 682 31.24 + 683 3 4.230000 3.085000 23.927000 42 " " K A 2 "LYS " " CA " 6 0 0 1 683 31.24 + 684 2 3.143000 3.008000 25.000000 42 " " K A 2 "LYS " " C " 6 0 0 1 684 31.24 + 685 15 3.133000 3.806000 25.938000 42 " " K A 2 "LYS " " O " 8 0 0 1 685 38.81 + 686 3 5.468000 2.264000 24.363000 42 " " K A 2 "LYS " " CB " 6 0 0 1 686 38.81 + 687 3 6.418000 1.855000 23.220000 42 " " K A 2 "LYS " " CG " 6 0 0 1 687 38.81 + 688 3 5.914000 0.715000 22.317000 42 " " K A 2 "LYS " " CD " 6 0 0 1 688 38.81 + 689 3 5.846000 -0.668000 22.996000 42 " " K A 2 "LYS " " CE " 6 0 0 1 689 38.81 + 690 32 4.632000 -0.855000 23.813000 42 " " K A 2 "LYS " " NZ " 7 1 0 1 690 38.81 + 691 43 4.714000 5.032000 24.548000 42 " " K A 2 "LYS " " H " 1 0 0 1 691 31.24 + 692 41 3.815000 2.672000 23.006000 42 " " K A 2 "LYS " " HA " 1 0 0 1 692 31.24 + 693 41 5.165000 1.373000 24.905000 42 " " K A 2 "LYS " " HB3" 1 0 0 1 693 38.81 + 694 41 6.024000 2.828000 25.103000 42 " " K A 2 "LYS " " HB2" 1 0 0 1 694 38.81 + 695 41 7.381000 1.557000 23.628000 42 " " K A 2 "LYS " " HG3" 1 0 0 1 695 38.81 + 696 41 6.639000 2.724000 22.602000 42 " " K A 2 "LYS " " HG2" 1 0 0 1 696 38.81 + 697 41 6.584000 0.644000 21.460000 42 " " K A 2 "LYS " " HD3" 1 0 0 1 697 38.81 + 698 41 4.941000 0.971000 21.896000 42 " " K A 2 "LYS " " HD2" 1 0 0 1 698 38.81 + 699 41 6.734000 -0.847000 23.604000 42 " " K A 2 "LYS " " HE3" 1 0 0 1 699 38.81 + 700 41 5.832000 -1.440000 22.227000 42 " " K A 2 "LYS " " HE2" 1 0 0 1 700 38.81 + 701 44 4.613000 -0.183000 24.567000 42 " " K A 2 "LYS " " HZ1" 1 0 0 1 701 38.81 + 702 44 3.809000 -0.737000 23.239000 42 " " K A 2 "LYS " " HZ2" 1 0 0 1 702 38.81 + 703 44 4.628000 -1.786000 24.205000 42 " " K A 2 "LYS " " HZ3" 1 0 0 1 703 38.81 + 704 25 2.296000 1.978000 24.868000 43 " " S A 2 "SER " " N " 7 0 0 1 704 2.48 + 705 3 1.436000 1.475000 25.935000 43 " " S A 2 "SER " " CA " 6 0 0 1 705 2.48 + 706 2 2.302000 0.888000 27.083000 43 " " S A 2 "SER " " C " 6 0 0 1 706 2.48 + 707 15 3.294000 0.216000 26.782000 43 " " S A 2 "SER " " O " 8 0 0 1 707 24.03 + 708 3 0.486000 0.429000 25.315000 43 " " S A 2 "SER " " CB " 6 0 0 1 708 24.03 + 709 16 1.160000 -0.722000 24.837000 43 " " S A 2 "SER " " OG " 8 0 0 1 709 24.03 + 710 43 2.352000 1.386000 24.053000 43 " " S A 2 "SER " " H " 1 0 0 1 710 2.48 + 711 41 0.825000 2.315000 26.257000 43 " " S A 2 "SER " " HA " 1 0 0 1 711 2.48 + 712 41 -0.086000 0.869000 24.497000 43 " " S A 2 "SER " " HB3" 1 0 0 1 712 24.03 + 713 41 -0.241000 0.117000 26.063000 43 " " S A 2 "SER " " HB2" 1 0 0 1 713 24.03 + 714 42 0.501000 -1.354000 24.536000 43 " " S A 2 "SER " " HG " 1 0 0 1 714 24.03 + 715 25 1.952000 1.165000 28.363000 44 " " P A 2 "PRO " " N " 7 0 0 1 715 3.96 + 716 3 2.631000 0.567000 29.533000 44 " " P A 2 "PRO " " CA " 6 0 0 1 716 3.96 + 717 2 2.696000 -0.975000 29.536000 44 " " P A 2 "PRO " " C " 6 0 0 1 717 3.96 + 718 15 1.697000 -1.633000 29.250000 44 " " P A 2 "PRO " " O " 8 0 0 1 718 10.55 + 719 3 1.826000 1.088000 30.735000 44 " " P A 2 "PRO " " CB " 6 0 0 1 719 10.55 + 720 3 1.194000 2.378000 30.253000 44 " " P A 2 "PRO " " CG " 6 0 0 1 720 10.55 + 721 3 0.912000 2.107000 28.784000 44 " " P A 2 "PRO " " CD " 6 0 0 1 721 10.55 + 722 41 3.637000 0.991000 29.563000 44 " " P A 2 "PRO " " HA " 1 0 0 1 722 3.96 + 723 41 2.445000 1.244000 31.617000 44 " " P A 2 "PRO " " HB3" 1 0 0 1 723 10.55 + 724 41 1.037000 0.386000 31.008000 44 " " P A 2 "PRO " " HB2" 1 0 0 1 724 10.55 + 725 41 1.920000 3.187000 30.339000 44 " " P A 2 "PRO " " HG3" 1 0 0 1 725 10.55 + 726 41 0.305000 2.662000 30.813000 44 " " P A 2 "PRO " " HG2" 1 0 0 1 726 10.55 + 727 41 -0.062000 1.641000 28.646000 44 " " P A 2 "PRO " " HD2" 1 0 0 1 727 10.55 + 728 41 0.928000 3.051000 28.239000 44 " " P A 2 "PRO " " HD3" 1 0 0 1 728 10.55 + 729 25 3.882000 -1.502000 29.868000 45 " " K A 2 "LYS " " N " 7 0 0 1 729 2.48 + 730 3 4.178000 -2.916000 30.080000 45 " " K A 2 "LYS " " CA " 6 0 0 1 730 2.48 + 731 2 4.242000 -3.193000 31.586000 45 " " K A 2 "LYS " " C " 6 0 0 1 731 2.48 + 732 15 5.031000 -2.563000 32.283000 45 " " K A 2 "LYS " " O " 8 0 0 1 732 57.5 + 733 3 5.518000 -3.257000 29.382000 45 " " K A 2 "LYS " " CB " 6 0 0 1 733 57.5 + 734 3 6.137000 -4.622000 29.759000 45 " " K A 2 "LYS " " CG " 6 0 0 1 734 57.5 + 735 3 7.391000 -4.954000 28.933000 45 " " K A 2 "LYS " " CD " 6 0 0 1 735 57.5 + 736 3 8.206000 -6.140000 29.479000 45 " " K A 2 "LYS " " CE " 6 0 0 1 736 57.5 + 737 32 7.414000 -7.380000 29.552000 45 " " K A 2 "LYS " " NZ " 7 1 0 1 737 57.5 + 738 43 4.646000 -0.872000 30.088000 45 " " K A 2 "LYS " " H " 1 0 0 1 738 2.48 + 739 41 3.395000 -3.531000 29.632000 45 " " K A 2 "LYS " " HA " 1 0 0 1 739 2.48 + 740 41 6.253000 -2.487000 29.624000 45 " " K A 2 "LYS " " HB3" 1 0 0 1 740 57.5 + 741 41 5.375000 -3.202000 28.302000 45 " " K A 2 "LYS " " HB2" 1 0 0 1 741 57.5 + 742 41 5.391000 -5.407000 29.635000 45 " " K A 2 "LYS " " HG3" 1 0 0 1 742 57.5 + 743 41 6.415000 -4.625000 30.814000 45 " " K A 2 "LYS " " HG2" 1 0 0 1 743 57.5 + 744 41 8.037000 -4.076000 28.887000 45 " " K A 2 "LYS " " HD3" 1 0 0 1 744 57.5 + 745 41 7.097000 -5.161000 27.903000 45 " " K A 2 "LYS " " HD2" 1 0 0 1 745 57.5 + 746 41 8.591000 -5.913000 30.473000 45 " " K A 2 "LYS " " HE3" 1 0 0 1 746 57.5 + 747 41 9.071000 -6.318000 28.839000 45 " " K A 2 "LYS " " HE2" 1 0 0 1 747 57.5 + 748 44 7.067000 -7.621000 28.634000 45 " " K A 2 "LYS " " HZ1" 1 0 0 1 748 57.5 + 749 44 7.986000 -8.139000 29.895000 45 " " K A 2 "LYS " " HZ2" 1 0 0 1 749 57.5 + 750 44 6.632000 -7.250000 30.178000 45 " " K A 2 "LYS " " HZ3" 1 0 0 1 750 57.5 + 751 25 3.459000 -4.180000 32.036000 46 " " T A 2 "THR " " N " 7 0 2 1 751 19.71 + 752 3 3.465000 -4.730000 33.391000 46 " " T A 2 "THR " " CA " 6 0 2 1 752 19.71 + 753 2 4.763000 -5.521000 33.683000 46 " " T A 2 "THR " " C " 6 0 2 1 753 19.71 + 754 15 4.982000 -6.572000 33.082000 46 " " T A 2 "THR " " O " 8 0 2 1 754 12.6 + 755 3 2.203000 -5.622000 33.582000 46 " " T A 2 "THR " " CB " 6 0 2 1 755 12.6 + 756 16 2.182000 -6.230000 34.861000 46 " " T A 2 "THR " " OG1" 8 0 2 1 756 12.6 + 757 3 2.033000 -6.730000 32.519000 46 " " T A 2 "THR " " CG2" 6 0 2 1 757 12.6 + 758 43 2.845000 -4.649000 31.386000 46 " " T A 2 "THR " " H " 1 0 2 1 758 19.71 + 759 41 3.399000 -3.897000 34.094000 46 " " T A 2 "THR " " HA " 1 0 2 1 759 19.71 + 760 41 1.324000 -4.984000 33.528000 46 " " T A 2 "THR " " HB " 1 0 2 1 760 12.6 + 761 42 2.828000 -6.940000 34.874000 46 " " T A 2 "THR " " HG1" 1 0 2 1 761 12.6 + 762 41 0.985000 -6.986000 32.401000 46 " " T A 2 "THR " "HG21" 1 0 2 1 762 12.6 + 763 41 2.365000 -6.426000 31.528000 46 " " T A 2 "THR " "HG22" 1 0 2 1 763 12.6 + 764 41 2.576000 -7.640000 32.776000 46 " " T A 2 "THR " "HG23" 1 0 2 1 764 12.6 + 765 25 5.613000 -4.987000 34.577000 47 " " L A 2 "LEU " " N " 7 0 2 1 765 5.76 + 766 3 6.861000 -5.625000 35.004000 47 " " L A 2 "LEU " " CA " 6 0 2 1 766 5.76 + 767 2 6.610000 -6.613000 36.143000 47 " " L A 2 "LEU " " C " 6 0 2 1 767 5.76 + 768 15 6.801000 -7.816000 35.975000 47 " " L A 2 "LEU " " O " 8 0 2 1 768 6.66 + 769 3 7.898000 -4.584000 35.467000 47 " " L A 2 "LEU " " CB " 6 0 2 1 769 6.66 + 770 3 8.470000 -3.688000 34.365000 47 " " L A 2 "LEU " " CG " 6 0 2 1 770 6.66 + 771 3 9.462000 -2.714000 35.011000 47 " " L A 2 "LEU " " CD1" 6 0 2 1 771 6.66 + 772 3 9.115000 -4.487000 33.212000 47 " " L A 2 "LEU " " CD2" 6 0 2 1 772 6.66 + 773 43 5.366000 -4.126000 35.049000 47 " " L A 2 "LEU " " H " 1 0 2 1 773 5.76 + 774 41 7.283000 -6.174000 34.168000 47 " " L A 2 "LEU " " HA " 1 0 2 1 774 5.76 + 775 41 8.732000 -5.108000 35.938000 47 " " L A 2 "LEU " " HB3" 1 0 2 1 775 6.66 + 776 41 7.467000 -3.950000 36.245000 47 " " L A 2 "LEU " " HB2" 1 0 2 1 776 6.66 + 777 41 7.653000 -3.099000 33.944000 47 " " L A 2 "LEU " " HG " 1 0 2 1 777 6.66 + 778 41 10.411000 -2.717000 34.485000 47 " " L A 2 "LEU " "HD11" 1 0 2 1 778 6.66 + 779 41 9.061000 -1.702000 35.005000 47 " " L A 2 "LEU " "HD12" 1 0 2 1 779 6.66 + 780 41 9.682000 -2.959000 36.051000 47 " " L A 2 "LEU " "HD13" 1 0 2 1 780 6.66 + 781 41 10.001000 -4.004000 32.800000 47 " " L A 2 "LEU " "HD21" 1 0 2 1 781 6.66 + 782 41 9.411000 -5.487000 33.523000 47 " " L A 2 "LEU " "HD22" 1 0 2 1 782 6.66 + 783 41 8.406000 -4.590000 32.391000 47 " " L A 2 "LEU " "HD23" 1 0 2 1 783 6.66 + 784 25 6.216000 -6.070000 37.298000 48 " " I A 2 "ILE " " N " 7 0 2 1 784 31.89 + 785 3 5.929000 -6.835000 38.498000 48 " " I A 2 "ILE " " CA " 6 0 2 1 785 31.89 + 786 2 4.479000 -6.564000 38.883000 48 " " I A 2 "ILE " " C " 6 0 2 1 786 31.89 + 787 15 3.993000 -5.450000 38.703000 48 " " I A 2 "ILE " " O " 8 0 2 1 787 6.48 + 788 3 6.896000 -6.448000 39.654000 48 " " I A 2 "ILE " " CB " 6 0 2 1 788 6.48 + 789 3 8.299000 -7.032000 39.385000 48 " " I A 2 "ILE " " CG1" 6 0 2 1 789 6.48 + 790 3 6.441000 -6.822000 41.082000 48 " " I A 2 "ILE " " CG2" 6 0 2 1 790 6.48 + 791 3 9.424000 -6.083000 39.796000 48 " " I A 2 "ILE " " CD1" 6 0 2 1 791 6.48 + 792 43 6.048000 -5.076000 37.353000 48 " " I A 2 "ILE " " H " 1 0 2 1 792 31.89 + 793 41 6.034000 -7.900000 38.299000 48 " " I A 2 "ILE " " HA " 1 0 2 1 793 31.89 + 794 41 6.988000 -5.364000 39.635000 48 " " I A 2 "ILE " " HB " 1 0 2 1 794 6.48 + 795 41 8.432000 -7.233000 38.323000 48 " " I A 2 "ILE " "HG13" 1 0 2 1 795 6.48 + 796 41 8.415000 -7.998000 39.877000 48 " " I A 2 "ILE " "HG12" 1 0 2 1 796 6.48 + 797 41 7.210000 -6.579000 41.813000 48 " " I A 2 "ILE " "HG21" 1 0 2 1 797 6.48 + 798 41 5.543000 -6.283000 41.388000 48 " " I A 2 "ILE " "HG22" 1 0 2 1 798 6.48 + 799 41 6.236000 -7.888000 41.166000 48 " " I A 2 "ILE " "HG23" 1 0 2 1 799 6.48 + 800 41 10.387000 -6.582000 39.718000 48 " " I A 2 "ILE " "HD11" 1 0 2 1 800 6.48 + 801 41 9.448000 -5.215000 39.138000 48 " " I A 2 "ILE " "HD12" 1 0 2 1 801 6.48 + 802 41 9.299000 -5.723000 40.816000 48 " " I A 2 "ILE " "HD13" 1 0 2 1 802 6.48 + 803 25 3.828000 -7.602000 39.407000 49 " " Y A 2 "TYR " " N " 7 0 2 1 803 10.62 + 804 3 2.484000 -7.532000 39.942000 49 " " Y A 2 "TYR " " CA " 6 0 2 1 804 10.62 + 805 2 2.459000 -8.209000 41.311000 49 " " Y A 2 "TYR " " C " 6 0 2 1 805 10.62 + 806 15 3.332000 -9.019000 41.619000 49 " " Y A 2 "TYR " " O " 8 0 2 1 806 15.12 + 807 3 1.499000 -8.169000 38.943000 49 " " Y A 2 "TYR " " CB " 6 0 2 1 807 15.12 + 808 2 1.529000 -9.685000 38.882000 49 " " Y A 2 "TYR " " CG " 6 0 2 1 808 15.12 + 809 2 2.443000 -10.346000 38.039000 49 " " Y A 2 "TYR " " CD1" 6 0 2 1 809 15.12 + 810 2 0.662000 -10.436000 39.701000 49 " " Y A 2 "TYR " " CD2" 6 0 2 1 810 15.12 + 811 2 2.491000 -11.751000 38.017000 49 " " Y A 2 "TYR " " CE1" 6 0 2 1 811 15.12 + 812 2 0.712000 -11.840000 39.685000 49 " " Y A 2 "TYR " " CE2" 6 0 2 1 812 15.12 + 813 2 1.629000 -12.498000 38.844000 49 " " Y A 2 "TYR " " CZ " 6 0 2 1 813 15.12 + 814 16 1.697000 -13.860000 38.849000 49 " " Y A 2 "TYR " " OH " 8 0 2 1 814 15.12 + 815 43 4.303000 -8.490000 39.520000 49 " " Y A 2 "TYR " " H " 1 0 2 1 815 10.62 + 816 41 2.222000 -6.491000 40.101000 49 " " Y A 2 "TYR " " HA " 1 0 2 1 816 10.62 + 817 41 1.645000 -7.755000 37.944000 49 " " Y A 2 "TYR " " HB3" 1 0 2 1 817 15.12 + 818 41 0.490000 -7.884000 39.237000 49 " " Y A 2 "TYR " " HB2" 1 0 2 1 818 15.12 + 819 41 3.120000 -9.775000 37.425000 49 " " Y A 2 "TYR " " HD1" 1 0 2 1 819 15.12 + 820 41 -0.029000 -9.932000 40.359000 49 " " Y A 2 "TYR " " HD2" 1 0 2 1 820 15.12 + 821 41 3.202000 -12.252000 37.377000 49 " " Y A 2 "TYR " " HE1" 1 0 2 1 821 15.12 + 822 41 0.053000 -12.409000 40.325000 49 " " Y A 2 "TYR " " HE2" 1 0 2 1 822 15.12 + 823 42 2.344000 -14.207000 38.229000 49 " " Y A 2 "TYR " " HH " 1 0 2 1 823 15.12 + 824 25 1.438000 -7.859000 42.104000 50 " " Y A 2 "TYR " " N " 7 0 0 1 824 2.48 + 825 3 1.199000 -8.356000 43.460000 50 " " Y A 2 "TYR " " CA " 6 0 0 1 825 2.48 + 826 2 2.437000 -8.210000 44.382000 50 " " Y A 2 "TYR " " C " 6 0 0 1 826 2.48 + 827 15 2.817000 -9.147000 45.085000 50 " " Y A 2 "TYR " " O " 8 0 0 1 827 17.59 + 828 3 0.588000 -9.777000 43.418000 50 " " Y A 2 "TYR " " CB " 6 0 0 1 828 17.59 + 829 2 0.020000 -10.254000 44.744000 50 " " Y A 2 "TYR " " CG " 6 0 0 1 829 17.59 + 830 2 -1.002000 -9.513000 45.376000 50 " " Y A 2 "TYR " " CD1" 6 0 0 1 830 17.59 + 831 2 0.532000 -11.411000 45.368000 50 " " Y A 2 "TYR " " CD2" 6 0 0 1 831 17.59 + 832 2 -1.479000 -9.899000 46.642000 50 " " Y A 2 "TYR " " CE1" 6 0 0 1 832 17.59 + 833 2 0.047000 -11.803000 46.631000 50 " " Y A 2 "TYR " " CE2" 6 0 0 1 833 17.59 + 834 2 -0.949000 -11.040000 47.273000 50 " " Y A 2 "TYR " " CZ " 6 0 0 1 834 17.59 + 835 16 -1.395000 -11.405000 48.510000 50 " " Y A 2 "TYR " " OH " 8 0 0 1 835 17.59 + 836 43 0.776000 -7.173000 41.767000 50 " " Y A 2 "TYR " " H " 1 0 0 1 836 2.48 + 837 41 0.437000 -7.682000 43.841000 50 " " Y A 2 "TYR " " HA " 1 0 0 1 837 2.48 + 838 41 1.319000 -10.495000 43.040000 50 " " Y A 2 "TYR " " HB3" 1 0 0 1 838 17.59 + 839 41 -0.236000 -9.788000 42.706000 50 " " Y A 2 "TYR " " HB2" 1 0 0 1 839 17.59 + 840 41 -1.409000 -8.629000 44.906000 50 " " Y A 2 "TYR " " HD1" 1 0 0 1 840 17.59 + 841 41 1.314000 -11.986000 44.893000 50 " " Y A 2 "TYR " " HD2" 1 0 0 1 841 17.59 + 842 41 -2.244000 -9.310000 47.128000 50 " " Y A 2 "TYR " " HE1" 1 0 0 1 842 17.59 + 843 41 0.451000 -12.681000 47.113000 50 " " Y A 2 "TYR " " HE2" 1 0 0 1 843 17.59 + 844 42 -2.080000 -10.823000 48.847000 50 " " Y A 2 "TYR " " HH " 1 0 0 1 844 17.59 + 845 25 3.057000 -7.021000 44.303000 51 " " A A 2 "ALA " " N " 7 0 0 1 845 10.73 + 846 3 4.257000 -6.551000 44.996000 51 " " A A 2 "ALA " " CA " 6 0 0 1 846 10.73 + 847 2 5.590000 -7.194000 44.572000 51 " " A A 2 "ALA " " C " 6 0 0 1 847 10.73 + 848 15 6.597000 -6.488000 44.630000 51 " " A A 2 "ALA " " O " 8 0 0 1 848 19.54 + 849 3 4.079000 -6.622000 46.523000 51 " " A A 2 "ALA " " CB " 6 0 0 1 849 19.54 + 850 43 2.653000 -6.333000 43.678000 51 " " A A 2 "ALA " " H " 1 0 0 1 850 10.73 + 851 41 4.331000 -5.495000 44.732000 51 " " A A 2 "ALA " " HA " 1 0 0 1 851 10.73 + 852 41 4.922000 -6.164000 47.041000 51 " " A A 2 "ALA " " HB1" 1 0 0 1 852 19.54 + 853 41 3.179000 -6.089000 46.823000 51 " " A A 2 "ALA " " HB2" 1 0 0 1 853 19.54 + 854 41 3.994000 -7.647000 46.883000 51 " " A A 2 "ALA " " HB3" 1 0 0 1 854 19.54 + 855 25 5.607000 -8.489000 44.201000 52 " " T A 2 "THR " " N " 7 0 0 1 855 2.48 + 856 3 6.845000 -9.269000 44.063000 52 " " T A 2 "THR " " CA " 6 0 0 1 856 2.48 + 857 2 6.860000 -10.281000 42.893000 52 " " T A 2 "THR " " C " 6 0 0 1 857 2.48 + 858 15 7.947000 -10.767000 42.578000 52 " " T A 2 "THR " " O " 8 0 0 1 858 2.48 + 859 3 7.185000 -10.044000 45.377000 52 " " T A 2 "THR " " CB " 6 0 0 1 859 2.48 + 860 16 6.415000 -11.224000 45.547000 52 " " T A 2 "THR " " OG1" 8 0 0 1 860 2.48 + 861 3 7.094000 -9.219000 46.673000 52 " " T A 2 "THR " " CG2" 6 0 0 1 861 2.48 + 862 43 4.740000 -9.010000 44.186000 52 " " T A 2 "THR " " H " 1 0 0 1 862 2.48 + 863 41 7.672000 -8.589000 43.852000 52 " " T A 2 "THR " " HA " 1 0 0 1 863 2.48 + 864 41 8.223000 -10.372000 45.296000 52 " " T A 2 "THR " " HB " 1 0 0 1 864 2.48 + 865 42 6.623000 -11.832000 44.833000 52 " " T A 2 "THR " " HG1" 1 0 0 1 865 2.48 + 866 41 7.497000 -9.777000 47.518000 52 " " T A 2 "THR " "HG21" 1 0 0 1 866 2.48 + 867 41 7.656000 -8.291000 46.594000 52 " " T A 2 "THR " "HG22" 1 0 0 1 867 2.48 + 868 41 6.063000 -8.963000 46.916000 52 " " T A 2 "THR " "HG23" 1 0 0 1 868 2.48 + 869 25 5.709000 -10.608000 42.278000 53 " " S A 2 "SER " " N " 7 0 2 1 869 2.48 + 870 3 5.636000 -11.602000 41.200000 53 " " S A 2 "SER " " CA " 6 0 2 1 870 2.48 + 871 2 6.034000 -10.995000 39.847000 53 " " S A 2 "SER " " C " 6 0 2 1 871 2.48 + 872 15 5.460000 -9.985000 39.447000 53 " " S A 2 "SER " " O " 8 0 2 1 872 38.94 + 873 3 4.221000 -12.203000 41.111000 53 " " S A 2 "SER " " CB " 6 0 2 1 873 38.94 + 874 16 3.966000 -13.054000 42.206000 53 " " S A 2 "SER " " OG " 8 0 2 1 874 38.94 + 875 43 4.839000 -10.163000 42.536000 53 " " S A 2 "SER " " H " 1 0 2 1 875 2.48 + 876 41 6.326000 -12.419000 41.421000 53 " " S A 2 "SER " " HA " 1 0 2 1 876 2.48 + 877 41 4.131000 -12.811000 40.211000 53 " " S A 2 "SER " " HB3" 1 0 2 1 877 38.94 + 878 41 3.448000 -11.440000 41.053000 53 " " S A 2 "SER " " HB2" 1 0 2 1 878 38.94 + 879 42 3.085000 -13.424000 42.106000 53 " " S A 2 "SER " " HG " 1 0 2 1 879 38.94 + 880 25 6.975000 -11.653000 39.155000 54 " " L A 2 "LEU " " N " 7 0 2 1 880 38.33 + 881 3 7.427000 -11.310000 37.805000 54 " " L A 2 "LEU " " CA " 6 0 2 1 881 38.33 + 882 2 6.359000 -11.718000 36.767000 54 " " L A 2 "LEU " " C " 6 0 2 1 882 38.33 + 883 15 5.822000 -12.823000 36.862000 54 " " L A 2 "LEU " " O " 8 0 2 1 883 18.16 + 884 3 8.791000 -12.020000 37.578000 54 " " L A 2 "LEU " " CB " 6 0 2 1 884 18.16 + 885 3 9.907000 -11.136000 36.984000 54 " " L A 2 "LEU " " CG " 6 0 2 1 885 18.16 + 886 3 10.130000 -9.836000 37.780000 54 " " L A 2 "LEU " " CD1" 6 0 2 1 886 18.16 + 887 3 11.220000 -11.934000 36.843000 54 " " L A 2 "LEU " " CD2" 6 0 2 1 887 18.16 + 888 43 7.384000 -12.485000 39.554000 54 " " L A 2 "LEU " " H " 1 0 2 1 888 38.33 + 889 41 7.547000 -10.227000 37.763000 54 " " L A 2 "LEU " " HA " 1 0 2 1 889 38.33 + 890 41 8.657000 -12.907000 36.955000 54 " " L A 2 "LEU " " HB3" 1 0 2 1 890 18.16 + 891 41 9.168000 -12.403000 38.529000 54 " " L A 2 "LEU " " HB2" 1 0 2 1 891 18.16 + 892 41 9.592000 -10.861000 35.979000 54 " " L A 2 "LEU " " HG " 1 0 2 1 892 18.16 + 893 41 11.176000 -9.547000 37.795000 54 " " L A 2 "LEU " "HD11" 1 0 2 1 893 18.16 + 894 41 9.591000 -9.009000 37.319000 54 " " L A 2 "LEU " "HD12" 1 0 2 1 894 18.16 + 895 41 9.791000 -9.920000 38.813000 54 " " L A 2 "LEU " "HD13" 1 0 2 1 895 18.16 + 896 41 11.682000 -11.755000 35.874000 54 " " L A 2 "LEU " "HD21" 1 0 2 1 896 18.16 + 897 41 11.951000 -11.662000 37.605000 54 " " L A 2 "LEU " "HD22" 1 0 2 1 897 18.16 + 898 41 11.058000 -13.009000 36.927000 54 " " L A 2 "LEU " "HD23" 1 0 2 1 898 18.16 + 899 25 6.053000 -10.811000 35.823000 55 " " A A 2 "ALA " " N " 7 0 0 1 899 2.48 + 900 3 4.966000 -10.948000 34.841000 55 " " A A 2 "ALA " " CA " 6 0 0 1 900 2.48 + 901 2 5.452000 -11.503000 33.484000 55 " " A A 2 "ALA " " C " 6 0 0 1 901 2.48 + 902 15 6.547000 -12.065000 33.417000 55 " " A A 2 "ALA " " O " 8 0 0 1 902 10.29 + 903 3 4.299000 -9.570000 34.679000 55 " " A A 2 "ALA " " CB " 6 0 0 1 903 10.29 + 904 43 6.540000 -9.925000 35.813000 55 " " A A 2 "ALA " " H " 1 0 0 1 904 2.48 + 905 41 4.214000 -11.639000 35.227000 55 " " A A 2 "ALA " " HA " 1 0 0 1 905 2.48 + 906 41 3.325000 -9.648000 34.195000 55 " " A A 2 "ALA " " HB1" 1 0 0 1 906 10.29 + 907 41 4.145000 -9.075000 35.636000 55 " " A A 2 "ALA " " HB2" 1 0 0 1 907 10.29 + 908 41 4.919000 -8.907000 34.077000 55 " " A A 2 "ALA " " HB3" 1 0 0 1 908 10.29 + 909 25 4.613000 -11.327000 32.439000 56 " " D A 2 "ASP " " N " 7 0 0 1 909 48.32 + 910 3 4.822000 -11.667000 31.019000 56 " " D A 2 "ASP " " CA " 6 0 0 1 910 48.32 + 911 2 6.234000 -11.382000 30.473000 56 " " D A 2 "ASP " " C " 6 0 0 1 911 48.32 + 912 15 6.504000 -10.258000 30.048000 56 " " D A 2 "ASP " " O " 8 0 0 1 912 76.89 + 913 3 3.789000 -10.985000 30.082000 56 " " D A 2 "ASP " " CB " 6 0 0 1 913 76.89 + 914 2 2.346000 -11.451000 30.249000 56 " " D A 2 "ASP " " CG " 6 0 0 1 914 76.89 + 915 15 2.022000 -12.472000 29.604000 56 " " D A 2 "ASP " " OD1" 8 0 0 1 915 76.89 + 916 18 1.587000 -10.769000 30.973000 56 " " D A 2 "ASP " " OD2" 8 -1 0 1 916 76.89 + 917 43 3.728000 -10.875000 32.622000 56 " " D A 2 "ASP " " H " 1 0 0 1 917 48.32 + 918 41 4.662000 -12.745000 30.949000 56 " " D A 2 "ASP " " HA " 1 0 0 1 918 48.32 + 919 41 4.053000 -11.120000 29.031000 56 " " D A 2 "ASP " " HB3" 1 0 0 1 919 76.89 + 920 41 3.807000 -9.902000 30.220000 56 " " D A 2 "ASP " " HB2" 1 0 0 1 920 76.89 + 921 25 7.087000 -12.423000 30.466000 57 " " G A 2 "GLY " " N " 7 0 0 1 921 49.84 + 922 3 8.417000 -12.439000 29.846000 57 " " G A 2 "GLY " " CA " 6 0 0 1 922 49.84 + 923 2 9.392000 -11.375000 30.381000 57 " " G A 2 "GLY " " C " 6 0 0 1 923 49.84 + 924 15 10.293000 -10.967000 29.650000 57 " " G A 2 "GLY " " O " 8 0 0 1 924 21.25 + 925 43 6.774000 -13.296000 30.865000 57 " " G A 2 "GLY " " H " 1 0 0 1 925 49.84 + 926 41 8.305000 -12.312000 28.769000 57 " " G A 2 "GLY " " HA3" 1 0 0 1 926 49.84 + 927 41 8.861000 -13.422000 30.002000 57 " " G A 2 "GLY " " HA2" 1 0 0 1 927 49.84 + 928 25 9.195000 -10.894000 31.618000 58 " " V A 2 "VAL " " N " 7 0 0 1 928 12.04 + 929 3 9.978000 -9.821000 32.230000 58 " " V A 2 "VAL " " CA " 6 0 0 1 929 12.04 + 930 2 11.356000 -10.355000 32.693000 58 " " V A 2 "VAL " " C " 6 0 0 1 930 12.04 + 931 15 11.381000 -11.419000 33.314000 58 " " V A 2 "VAL " " O " 8 0 0 1 931 7.91 + 932 3 9.186000 -9.252000 33.436000 58 " " V A 2 "VAL " " CB " 6 0 0 1 932 7.91 + 933 3 9.997000 -8.347000 34.393000 58 " " V A 2 "VAL " " CG1" 6 0 0 1 933 7.91 + 934 3 7.959000 -8.496000 32.901000 58 " " V A 2 "VAL " " CG2" 6 0 0 1 934 7.91 + 935 43 8.439000 -11.268000 32.177000 58 " " V A 2 "VAL " " H " 1 0 0 1 935 12.04 + 936 41 10.061000 -9.028000 31.492000 58 " " V A 2 "VAL " " HA " 1 0 0 1 936 12.04 + 937 41 8.805000 -10.092000 34.018000 58 " " V A 2 "VAL " " HB " 1 0 0 1 937 7.91 + 938 41 9.352000 -7.878000 35.135000 58 " " V A 2 "VAL " "HG11" 1 0 0 1 938 7.91 + 939 41 10.751000 -8.908000 34.943000 58 " " V A 2 "VAL " "HG12" 1 0 0 1 939 7.91 + 940 41 10.505000 -7.550000 33.851000 58 " " V A 2 "VAL " "HG13" 1 0 0 1 940 7.91 + 941 41 7.232000 -8.318000 33.682000 58 " " V A 2 "VAL " "HG21" 1 0 0 1 941 7.91 + 942 41 8.237000 -7.540000 32.460000 58 " " V A 2 "VAL " "HG22" 1 0 0 1 942 7.91 + 943 41 7.422000 -9.064000 32.146000 58 " " V A 2 "VAL " "HG23" 1 0 0 1 943 7.91 + 944 25 12.468000 -9.643000 32.371000 59 " " P A 2 "PRO " " N " 7 0 0 1 944 2.48 + 945 3 13.828000 -10.041000 32.793000 59 " " P A 2 "PRO " " CA " 6 0 0 1 945 2.48 + 946 2 14.005000 -10.260000 34.306000 59 " " P A 2 "PRO " " C " 6 0 0 1 946 2.48 + 947 15 13.443000 -9.517000 35.111000 59 " " P A 2 "PRO " " O " 8 0 0 1 947 23.15 + 948 3 14.730000 -8.902000 32.290000 59 " " P A 2 "PRO " " CB " 6 0 0 1 948 23.15 + 949 3 13.976000 -8.294000 31.126000 59 " " P A 2 "PRO " " CG " 6 0 0 1 949 23.15 + 950 3 12.518000 -8.435000 31.539000 59 " " P A 2 "PRO " " CD " 6 0 0 1 950 23.15 + 951 41 14.070000 -10.959000 32.253000 59 " " P A 2 "PRO " " HA " 1 0 0 1 951 2.48 + 952 41 15.720000 -9.253000 31.998000 59 " " P A 2 "PRO " " HB3" 1 0 0 1 952 23.15 + 953 41 14.871000 -8.142000 33.056000 59 " " P A 2 "PRO " " HB2" 1 0 0 1 953 23.15 + 954 41 14.156000 -8.894000 30.233000 59 " " P A 2 "PRO " " HG3" 1 0 0 1 954 23.15 + 955 41 14.270000 -7.268000 30.902000 59 " " P A 2 "PRO " " HG2" 1 0 0 1 955 23.15 + 956 41 12.194000 -7.578000 32.128000 59 " " P A 2 "PRO " " HD2" 1 0 0 1 956 23.15 + 957 41 11.904000 -8.495000 30.640000 59 " " P A 2 "PRO " " HD3" 1 0 0 1 957 23.15 + 958 25 14.801000 -11.283000 34.649000 60 " " S A 2 "SER " " N " 7 0 0 1 958 2.48 + 959 3 15.138000 -11.683000 36.017000 60 " " S A 2 "SER " " CA " 6 0 0 1 959 2.48 + 960 2 15.903000 -10.631000 36.852000 60 " " S A 2 "SER " " C " 6 0 0 1 960 2.48 + 961 15 15.925000 -10.767000 38.075000 60 " " S A 2 "SER " " O " 8 0 0 1 961 28.26 + 962 3 15.872000 -13.037000 35.954000 60 " " S A 2 "SER " " CB " 6 0 0 1 962 28.26 + 963 16 17.124000 -12.927000 35.304000 60 " " S A 2 "SER " " OG " 8 0 0 1 963 28.26 + 964 43 15.232000 -11.837000 33.923000 60 " " S A 2 "SER " " H " 1 0 0 1 964 2.48 + 965 41 14.193000 -11.852000 36.535000 60 " " S A 2 "SER " " HA " 1 0 0 1 965 2.48 + 966 41 15.265000 -13.777000 35.432000 60 " " S A 2 "SER " " HB3" 1 0 0 1 966 28.26 + 967 41 16.037000 -13.426000 36.960000 60 " " S A 2 "SER " " HB2" 1 0 0 1 967 28.26 + 968 42 17.560000 -13.782000 35.330000 60 " " S A 2 "SER " " HG " 1 0 0 1 968 28.26 + 969 25 16.480000 -9.597000 36.205000 61 " " R A 2 "ARG " " N " 7 0 0 1 969 16.6 + 970 3 17.116000 -8.457000 36.876000 61 " " R A 2 "ARG " " CA " 6 0 0 1 970 16.6 + 971 2 16.110000 -7.526000 37.583000 61 " " R A 2 "ARG " " C " 6 0 0 1 971 16.6 + 972 15 16.505000 -6.857000 38.536000 61 " " R A 2 "ARG " " O " 8 0 0 1 972 2.48 + 973 3 18.024000 -7.685000 35.890000 61 " " R A 2 "ARG " " CB " 6 0 0 1 973 2.48 + 974 3 17.310000 -6.815000 34.835000 61 " " R A 2 "ARG " " CG " 6 0 0 1 974 2.48 + 975 3 18.292000 -5.934000 34.055000 61 " " R A 2 "ARG " " CD " 6 0 0 1 975 2.48 + 976 25 17.649000 -5.215000 32.948000 61 " " R A 2 "ARG " " NE " 7 0 0 1 976 2.48 + 977 2 17.360000 -5.735000 31.744000 61 " " R A 2 "ARG " " CZ " 6 0 0 1 977 2.48 + 978 25 17.638000 -7.012000 31.453000 61 " " R A 2 "ARG " " NH1" 7 0 0 1 978 2.48 + 979 31 16.789000 -4.964000 30.813000 61 " " R A 2 "ARG " " NH2" 7 1 0 1 979 2.48 + 980 43 16.431000 -9.558000 35.198000 61 " " R A 2 "ARG " " H " 1 0 0 1 980 16.6 + 981 41 17.764000 -8.862000 37.655000 61 " " R A 2 "ARG " " HA " 1 0 0 1 981 16.6 + 982 41 18.691000 -8.388000 35.389000 61 " " R A 2 "ARG " " HB3" 1 0 0 1 982 2.48 + 983 41 18.675000 -7.032000 36.473000 61 " " R A 2 "ARG " " HB2" 1 0 0 1 983 2.48 + 984 41 16.656000 -6.125000 35.369000 61 " " R A 2 "ARG " " HG3" 1 0 0 1 984 2.48 + 985 41 16.665000 -7.392000 34.176000 61 " " R A 2 "ARG " " HG2" 1 0 0 1 985 2.48 + 986 41 19.216000 -6.441000 33.777000 61 " " R A 2 "ARG " " HD3" 1 0 0 1 986 2.48 + 987 41 18.575000 -5.125000 34.726000 61 " " R A 2 "ARG " " HD2" 1 0 0 1 987 2.48 + 988 43 17.454000 -4.229000 33.098000 61 " " R A 2 "ARG " " HE " 1 0 0 1 988 2.48 + 989 43 17.503000 -7.356000 30.513000 61 " " R A 2 "ARG " "HH12" 1 0 0 1 989 2.48 + 990 43 18.126000 -7.586000 32.125000 61 " " R A 2 "ARG " "HH11" 1 0 0 1 990 2.48 + 991 44 16.647000 -5.302000 29.872000 61 " " R A 2 "ARG " "HH22" 1 0 0 1 991 2.48 + 992 44 16.519000 -4.007000 31.041000 61 " " R A 2 "ARG " "HH21" 1 0 0 1 992 2.48 + 993 25 14.844000 -7.509000 37.127000 62 " " F A 2 "PHE " " N " 7 0 2 1 993 19.31 + 994 3 13.738000 -6.856000 37.825000 62 " " F A 2 "PHE " " CA " 6 0 2 1 994 19.31 + 995 2 13.323000 -7.702000 39.037000 62 " " F A 2 "PHE " " C " 6 0 2 1 995 19.31 + 996 15 13.293000 -8.930000 38.948000 62 " " F A 2 "PHE " " O " 8 0 2 1 996 14.3 + 997 3 12.543000 -6.636000 36.872000 62 " " F A 2 "PHE " " CB " 6 0 2 1 997 14.3 + 998 2 12.791000 -5.645000 35.747000 62 " " F A 2 "PHE " " CG " 6 0 2 1 998 14.3 + 999 2 12.680000 -4.259000 35.978000 62 " " F A 2 "PHE " " CD1" 6 0 2 1 999 14.3 + 1000 2 13.288000 -6.082000 34.502000 62 " " F A 2 "PHE " " CD2" 6 0 2 1 1000 14.3 + 1001 2 12.983000 -3.356000 34.968000 62 " " F A 2 "PHE " " CE1" 6 0 2 1 1001 14.3 + 1002 2 13.603000 -5.164000 33.510000 62 " " F A 2 "PHE " " CE2" 6 0 2 1 1002 14.3 + 1003 2 13.441000 -3.804000 33.739000 62 " " F A 2 "PHE " " CZ " 6 0 2 1 1003 14.3 + 1004 43 14.586000 -8.097000 36.346000 62 " " F A 2 "PHE " " H " 1 0 2 1 1004 19.31 + 1005 41 14.073000 -5.878000 38.176000 62 " " F A 2 "PHE " " HA " 1 0 2 1 1005 19.31 + 1006 41 11.688000 -6.272000 37.444000 62 " " F A 2 "PHE " " HB3" 1 0 2 1 1006 14.3 + 1007 41 12.224000 -7.586000 36.443000 62 " " F A 2 "PHE " " HB2" 1 0 2 1 1007 14.3 + 1008 41 12.364000 -3.888000 36.936000 62 " " F A 2 "PHE " " HD1" 1 0 2 1 1008 14.3 + 1009 41 13.413000 -7.134000 34.318000 62 " " F A 2 "PHE " " HD2" 1 0 2 1 1009 14.3 + 1010 41 12.886000 -2.297000 35.149000 62 " " F A 2 "PHE " " HE1" 1 0 2 1 1010 14.3 + 1011 41 13.977000 -5.504000 32.556000 62 " " F A 2 "PHE " " HE2" 1 0 2 1 1011 14.3 + 1012 41 13.683000 -3.092000 32.965000 62 " " F A 2 "PHE " " HZ " 1 0 2 1 1012 14.3 + 1013 25 13.014000 -7.025000 40.148000 63 " " S A 2 "SER " " N " 7 0 2 1 1013 10.07 + 1014 3 12.595000 -7.647000 41.399000 63 " " S A 2 "SER " " CA " 6 0 2 1 1014 10.07 + 1015 2 11.891000 -6.602000 42.270000 63 " " S A 2 "SER " " C " 6 0 2 1 1015 10.07 + 1016 15 12.368000 -5.473000 42.376000 63 " " S A 2 "SER " " O " 8 0 2 1 1016 43.94 + 1017 3 13.797000 -8.322000 42.097000 63 " " S A 2 "SER " " CB " 6 0 2 1 1017 43.94 + 1018 16 14.799000 -7.391000 42.454000 63 " " S A 2 "SER " " OG " 8 0 2 1 1018 43.94 + 1019 43 13.098000 -6.017000 40.166000 63 " " S A 2 "SER " " H " 1 0 2 1 1019 10.07 + 1020 41 11.864000 -8.423000 41.157000 63 " " S A 2 "SER " " HA " 1 0 2 1 1020 10.07 + 1021 41 14.240000 -9.092000 41.464000 63 " " S A 2 "SER " " HB3" 1 0 2 1 1021 43.94 + 1022 41 13.465000 -8.828000 43.005000 63 " " S A 2 "SER " " HB2" 1 0 2 1 1022 43.94 + 1023 42 15.198000 -7.053000 41.647000 63 " " S A 2 "SER " " HG " 1 0 2 1 1023 43.94 + 1024 25 10.756000 -7.005000 42.856000 64 " " G A 2 "GLY " " N " 7 0 2 1 1024 20.29 + 1025 3 9.934000 -6.155000 43.705000 64 " " G A 2 "GLY " " CA " 6 0 2 1 1025 20.29 + 1026 2 9.986000 -6.705000 45.130000 64 " " G A 2 "GLY " " C " 6 0 2 1 1026 20.29 + 1027 15 9.974000 -7.919000 45.333000 64 " " G A 2 "GLY " " O " 8 0 2 1 1027 10.63 + 1028 43 10.440000 -7.955000 42.729000 64 " " G A 2 "GLY " " H " 1 0 2 1 1028 20.29 + 1029 41 8.906000 -6.193000 43.349000 64 " " G A 2 "GLY " " HA3" 1 0 2 1 1029 20.29 + 1030 41 10.242000 -5.113000 43.665000 64 " " G A 2 "GLY " " HA2" 1 0 2 1 1030 20.29 + 1031 25 9.983000 -5.794000 46.109000 65 " " S A 2 "SER " " N " 7 0 2 1 1031 18.08 + 1032 3 9.873000 -6.088000 47.535000 65 " " S A 2 "SER " " CA " 6 0 2 1 1032 18.08 + 1033 2 8.845000 -5.133000 48.143000 65 " " S A 2 "SER " " C " 6 0 2 1 1033 18.08 + 1034 15 8.756000 -3.989000 47.697000 65 " " S A 2 "SER " " O " 8 0 2 1 1034 28.31 + 1035 3 11.249000 -5.897000 48.206000 65 " " S A 2 "SER " " CB " 6 0 2 1 1035 28.31 + 1036 16 12.062000 -7.031000 47.989000 65 " " S A 2 "SER " " OG " 8 0 2 1 1036 28.31 + 1037 43 9.982000 -4.811000 45.868000 65 " " S A 2 "SER " " H " 1 0 2 1 1037 18.08 + 1038 41 9.517000 -7.107000 47.703000 65 " " S A 2 "SER " " HA " 1 0 2 1 1038 18.08 + 1039 41 11.143000 -5.777000 49.285000 65 " " S A 2 "SER " " HB3" 1 0 2 1 1039 28.31 + 1040 41 11.754000 -5.004000 47.836000 65 " " S A 2 "SER " " HB2" 1 0 2 1 1040 28.31 + 1041 42 12.232000 -7.108000 47.047000 65 " " S A 2 "SER " " HG " 1 0 2 1 1041 28.31 + 1042 25 8.120000 -5.596000 49.171000 66 " " G A 2 "GLY " " N " 7 0 2 1 1042 18.48 + 1043 3 7.235000 -4.718000 49.921000 66 " " G A 2 "GLY " " CA " 6 0 2 1 1043 18.48 + 1044 2 6.126000 -5.489000 50.629000 66 " " G A 2 "GLY " " C " 6 0 2 1 1044 18.48 + 1045 15 5.864000 -6.663000 50.360000 66 " " G A 2 "GLY " " O " 8 0 2 1 1045 7.35 + 1046 43 8.217000 -6.549000 49.489000 66 " " G A 2 "GLY " " H " 1 0 2 1 1046 18.48 + 1047 41 6.759000 -3.993000 49.265000 66 " " G A 2 "GLY " " HA3" 1 0 2 1 1047 18.48 + 1048 41 7.825000 -4.164000 50.652000 66 " " G A 2 "GLY " " HA2" 1 0 2 1 1048 18.48 + 1049 25 5.471000 -4.759000 51.539000 67 " " S A 2 "SER " " N " 7 0 2 1 1049 2.48 + 1050 3 4.389000 -5.202000 52.406000 67 " " S A 2 "SER " " CA " 6 0 2 1 1050 2.48 + 1051 2 3.836000 -3.956000 53.113000 67 " " S A 2 "SER " " C " 6 0 2 1 1051 2.48 + 1052 15 4.620000 -3.110000 53.550000 67 " " S A 2 "SER " " O " 8 0 2 1 1052 28.72 + 1053 3 4.918000 -6.256000 53.411000 67 " " S A 2 "SER " " CB " 6 0 2 1 1053 28.72 + 1054 16 3.883000 -6.790000 54.209000 67 " " S A 2 "SER " " OG " 8 0 2 1 1054 28.72 + 1055 43 5.742000 -3.792000 51.669000 67 " " S A 2 "SER " " H " 1 0 2 1 1055 2.48 + 1056 41 3.608000 -5.639000 51.781000 67 " " S A 2 "SER " " HA " 1 0 2 1 1056 2.48 + 1057 41 5.678000 -5.823000 54.063000 67 " " S A 2 "SER " " HB3" 1 0 2 1 1057 28.72 + 1058 41 5.388000 -7.093000 52.896000 67 " " S A 2 "SER " " HB2" 1 0 2 1 1058 28.72 + 1059 42 3.331000 -7.354000 53.663000 67 " " S A 2 "SER " " HG " 1 0 2 1 1059 28.72 + 1060 25 2.503000 -3.868000 53.238000 68 " " G A 2 "GLY " " N " 7 0 0 1 1060 9.73 + 1061 3 1.849000 -2.776000 53.952000 68 " " G A 2 "GLY " " CA " 6 0 0 1 1061 9.73 + 1062 2 1.834000 -1.510000 53.091000 68 " " G A 2 "GLY " " C " 6 0 0 1 1062 9.73 + 1063 15 1.115000 -1.446000 52.094000 68 " " G A 2 "GLY " " O " 8 0 0 1 1063 58.2 + 1064 43 1.909000 -4.594000 52.865000 68 " " G A 2 "GLY " " H " 1 0 0 1 1064 9.73 + 1065 41 2.340000 -2.595000 54.910000 68 " " G A 2 "GLY " " HA3" 1 0 0 1 1065 9.73 + 1066 41 0.832000 -3.067000 54.183000 68 " " G A 2 "GLY " " HA2" 1 0 0 1 1066 9.73 + 1067 25 2.601000 -0.503000 53.533000 69 " " Q A 2 "GLN " " N " 7 0 0 1 1067 6.32 + 1068 3 2.751000 0.797000 52.886000 69 " " Q A 2 "GLN " " CA " 6 0 0 1 1068 6.32 + 1069 2 3.991000 0.884000 51.988000 69 " " Q A 2 "GLN " " C " 6 0 0 1 1069 6.32 + 1070 15 3.917000 1.540000 50.953000 69 " " Q A 2 "GLN " " O " 8 0 0 1 1070 40.55 + 1071 3 2.809000 1.894000 53.965000 69 " " Q A 2 "GLN " " CB " 6 0 0 1 1071 40.55 + 1072 3 1.445000 2.159000 54.619000 69 " " Q A 2 "GLN " " CG " 6 0 0 1 1072 40.55 + 1073 2 1.528000 3.259000 55.675000 69 " " Q A 2 "GLN " " CD " 6 0 0 1 1073 40.55 + 1074 15 2.140000 3.071000 56.723000 69 " " Q A 2 "GLN " " OE1" 8 0 0 1 1074 40.55 + 1075 25 0.907000 4.409000 55.415000 69 " " Q A 2 "GLN " " NE2" 7 0 0 1 1075 40.55 + 1076 43 3.151000 -0.639000 54.370000 69 " " Q A 2 "GLN " " H " 1 0 0 1 1076 6.32 + 1077 41 1.883000 0.989000 52.254000 69 " " Q A 2 "GLN " " HA " 1 0 0 1 1077 6.32 + 1078 41 3.168000 2.826000 53.523000 69 " " Q A 2 "GLN " " HB3" 1 0 0 1 1078 40.55 + 1079 41 3.544000 1.625000 54.726000 69 " " Q A 2 "GLN " " HB2" 1 0 0 1 1079 40.55 + 1080 41 1.065000 1.253000 55.093000 69 " " Q A 2 "GLN " " HG3" 1 0 0 1 1080 40.55 + 1081 41 0.723000 2.435000 53.853000 69 " " Q A 2 "GLN " " HG2" 1 0 0 1 1081 40.55 + 1082 43 0.928000 5.160000 56.088000 69 " " Q A 2 "GLN " "HE22" 1 0 0 1 1082 40.55 + 1083 43 0.442000 4.543000 54.528000 69 " " Q A 2 "GLN " "HE21" 1 0 0 1 1083 40.55 + 1084 25 5.101000 0.250000 52.400000 70 " " D A 2 "ASP " " N " 7 0 2 1 1084 21.38 + 1085 3 6.404000 0.357000 51.740000 70 " " D A 2 "ASP " " CA " 6 0 2 1 1085 21.38 + 1086 2 6.554000 -0.669000 50.618000 70 " " D A 2 "ASP " " C " 6 0 2 1 1086 21.38 + 1087 15 6.333000 -1.858000 50.845000 70 " " D A 2 "ASP " " O " 8 0 2 1 1087 37.14 + 1088 3 7.579000 0.243000 52.732000 70 " " D A 2 "ASP " " CB " 6 0 2 1 1088 37.14 + 1089 2 7.479000 1.258000 53.870000 70 " " D A 2 "ASP " " CG " 6 0 2 1 1089 37.14 + 1090 15 7.737000 2.448000 53.583000 70 " " D A 2 "ASP " " OD1" 8 0 2 1 1090 37.14 + 1091 18 7.153000 0.829000 54.998000 70 " " D A 2 "ASP " " OD2" 8 -1 2 1 1091 37.14 + 1092 43 5.086000 -0.282000 53.258000 70 " " D A 2 "ASP " " H " 1 0 2 1 1092 21.38 + 1093 41 6.472000 1.353000 51.295000 70 " " D A 2 "ASP " " HA " 1 0 2 1 1093 21.38 + 1094 41 8.540000 0.376000 52.234000 70 " " D A 2 "ASP " " HB3" 1 0 2 1 1094 37.14 + 1095 41 7.622000 -0.759000 53.162000 70 " " D A 2 "ASP " " HB2" 1 0 2 1 1095 37.14 + 1096 25 6.944000 -0.169000 49.436000 71 " " Y A 2 "TYR " " N " 7 0 2 1 1096 34.85 + 1097 3 7.216000 -0.950000 48.234000 71 " " Y A 2 "TYR " " CA " 6 0 2 1 1097 34.85 + 1098 2 8.401000 -0.351000 47.486000 71 " " Y A 2 "TYR " " C " 6 0 2 1 1098 34.85 + 1099 15 8.633000 0.857000 47.561000 71 " " Y A 2 "TYR " " O " 8 0 2 1 1099 14.33 + 1100 3 5.991000 -0.984000 47.302000 71 " " Y A 2 "TYR " " CB " 6 0 2 1 1100 14.33 + 1101 2 4.784000 -1.650000 47.917000 71 " " Y A 2 "TYR " " CG " 6 0 2 1 1101 14.33 + 1102 2 4.656000 -3.053000 47.889000 71 " " Y A 2 "TYR " " CD1" 6 0 2 1 1102 14.33 + 1103 2 3.843000 -0.869000 48.612000 71 " " Y A 2 "TYR " " CD2" 6 0 2 1 1103 14.33 + 1104 2 3.635000 -3.678000 48.630000 71 " " Y A 2 "TYR " " CE1" 6 0 2 1 1104 14.33 + 1105 2 2.833000 -1.495000 49.358000 71 " " Y A 2 "TYR " " CE2" 6 0 2 1 1105 14.33 + 1106 2 2.735000 -2.899000 49.380000 71 " " Y A 2 "TYR " " CZ " 6 0 2 1 1106 14.33 + 1107 16 1.782000 -3.500000 50.147000 71 " " Y A 2 "TYR " " OH " 8 0 2 1 1107 14.33 + 1108 43 7.085000 0.828000 49.341000 71 " " Y A 2 "TYR " " H " 1 0 2 1 1108 34.85 + 1109 41 7.481000 -1.965000 48.525000 71 " " Y A 2 "TYR " " HA " 1 0 2 1 1109 34.85 + 1110 41 6.253000 -1.526000 46.393000 71 " " Y A 2 "TYR " " HB3" 1 0 2 1 1110 14.33 + 1111 41 5.726000 0.028000 46.992000 71 " " Y A 2 "TYR " " HB2" 1 0 2 1 1111 14.33 + 1112 41 5.377000 -3.655000 47.355000 71 " " Y A 2 "TYR " " HD1" 1 0 2 1 1112 14.33 + 1113 41 3.935000 0.207000 48.631000 71 " " Y A 2 "TYR " " HD2" 1 0 2 1 1113 14.33 + 1114 41 3.574000 -4.754000 48.661000 71 " " Y A 2 "TYR " " HE1" 1 0 2 1 1114 14.33 + 1115 41 2.150000 -0.880000 49.920000 71 " " Y A 2 "TYR " " HE2" 1 0 2 1 1115 14.33 + 1116 42 1.341000 -2.870000 50.726000 71 " " Y A 2 "TYR " " HH " 1 0 2 1 1116 14.33 + 1117 25 9.099000 -1.215000 46.741000 72 " " S A 2 "SER " " N " 7 0 2 1 1117 7.15 + 1118 3 10.230000 -0.831000 45.917000 72 " " S A 2 "SER " " CA " 6 0 2 1 1118 7.15 + 1119 2 10.413000 -1.800000 44.745000 72 " " S A 2 "SER " " C " 6 0 2 1 1119 7.15 + 1120 15 10.396000 -3.012000 44.949000 72 " " S A 2 "SER " " O " 8 0 2 1 1120 11.52 + 1121 3 11.495000 -0.681000 46.794000 72 " " S A 2 "SER " " CB " 6 0 2 1 1121 11.52 + 1122 16 11.972000 -1.921000 47.286000 72 " " S A 2 "SER " " OG " 8 0 2 1 1122 11.52 + 1123 43 8.874000 -2.202000 46.758000 72 " " S A 2 "SER " " H " 1 0 2 1 1123 7.15 + 1124 41 9.985000 0.138000 45.488000 72 " " S A 2 "SER " " HA " 1 0 2 1 1124 7.15 + 1125 41 11.314000 -0.011000 47.635000 72 " " S A 2 "SER " " HB3" 1 0 2 1 1125 11.52 + 1126 41 12.286000 -0.221000 46.207000 72 " " S A 2 "SER " " HB2" 1 0 2 1 1126 11.52 + 1127 42 12.245000 -2.461000 46.541000 72 " " S A 2 "SER " " HG " 1 0 2 1 1127 11.52 + 1128 25 10.639000 -1.225000 43.554000 73 " " L A 2 "LEU " " N " 7 0 2 1 1128 23.26 + 1129 3 11.184000 -1.900000 42.379000 73 " " L A 2 "LEU " " CA " 6 0 2 1 1129 23.26 + 1130 2 12.709000 -1.763000 42.468000 73 " " L A 2 "LEU " " C " 6 0 2 1 1130 23.26 + 1131 15 13.186000 -0.670000 42.771000 73 " " L A 2 "LEU " " O " 8 0 2 1 1131 18.63 + 1132 3 10.695000 -1.178000 41.095000 73 " " L A 2 "LEU " " CB " 6 0 2 1 1132 18.63 + 1133 3 10.458000 -2.055000 39.842000 73 " " L A 2 "LEU " " CG " 6 0 2 1 1133 18.63 + 1134 3 10.266000 -1.176000 38.590000 73 " " L A 2 "LEU " " CD1" 6 0 2 1 1134 18.63 + 1135 3 11.520000 -3.133000 39.581000 73 " " L A 2 "LEU " " CD2" 6 0 2 1 1135 18.63 + 1136 43 10.651000 -0.214000 43.505000 73 " " L A 2 "LEU " " H " 1 0 2 1 1136 23.26 + 1137 41 10.875000 -2.947000 42.379000 73 " " L A 2 "LEU " " HA " 1 0 2 1 1137 23.26 + 1138 41 11.391000 -0.380000 40.831000 73 " " L A 2 "LEU " " HB3" 1 0 2 1 1138 18.63 + 1139 41 9.769000 -0.650000 41.308000 73 " " L A 2 "LEU " " HB2" 1 0 2 1 1139 18.63 + 1140 41 9.525000 -2.590000 40.014000 73 " " L A 2 "LEU " " HG " 1 0 2 1 1140 18.63 + 1141 41 9.423000 -1.521000 37.995000 73 " " L A 2 "LEU " "HD11" 1 0 2 1 1141 18.63 + 1142 41 10.079000 -0.131000 38.842000 73 " " L A 2 "LEU " "HD12" 1 0 2 1 1142 18.63 + 1143 41 11.143000 -1.197000 37.941000 73 " " L A 2 "LEU " "HD13" 1 0 2 1 1143 18.63 + 1144 41 11.241000 -3.719000 38.709000 73 " " L A 2 "LEU " "HD21" 1 0 2 1 1144 18.63 + 1145 41 12.505000 -2.701000 39.401000 73 " " L A 2 "LEU " "HD22" 1 0 2 1 1145 18.63 + 1146 41 11.594000 -3.844000 40.401000 73 " " L A 2 "LEU " "HD23" 1 0 2 1 1146 18.63 + 1147 25 13.445000 -2.833000 42.151000 74 " " T A 2 "THR " " N " 7 0 2 1 1147 17.7 + 1148 3 14.892000 -2.780000 41.986000 74 " " T A 2 "THR " " CA " 6 0 2 1 1148 17.7 + 1149 2 15.290000 -3.474000 40.675000 74 " " T A 2 "THR " " C " 6 0 2 1 1149 17.7 + 1150 15 14.802000 -4.566000 40.380000 74 " " T A 2 "THR " " O " 8 0 2 1 1150 13.84 + 1151 3 15.682000 -3.353000 43.205000 74 " " T A 2 "THR " " CB " 6 0 2 1 1151 13.84 + 1152 16 16.026000 -4.723000 43.124000 74 " " T A 2 "THR " " OG1" 8 0 2 1 1152 13.84 + 1153 3 15.055000 -3.062000 44.578000 74 " " T A 2 "THR " " CG2" 6 0 2 1 1153 13.84 + 1154 43 13.002000 -3.719000 41.942000 74 " " T A 2 "THR " " H " 1 0 2 1 1154 17.7 + 1155 41 15.185000 -1.738000 41.880000 74 " " T A 2 "THR " " HA " 1 0 2 1 1155 17.7 + 1156 41 16.643000 -2.836000 43.201000 74 " " T A 2 "THR " " HB " 1 0 2 1 1156 13.84 + 1157 42 15.222000 -5.251000 43.139000 74 " " T A 2 "THR " " HG1" 1 0 2 1 1157 13.84 + 1158 41 15.717000 -3.375000 45.386000 74 " " T A 2 "THR " "HG21" 1 0 2 1 1158 13.84 + 1159 41 14.871000 -1.996000 44.703000 74 " " T A 2 "THR " "HG22" 1 0 2 1 1159 13.84 + 1160 41 14.106000 -3.583000 44.708000 74 " " T A 2 "THR " "HG23" 1 0 2 1 1160 13.84 + 1161 25 16.167000 -2.802000 39.917000 75 " " I A 2 "ILE " " N " 7 0 2 1 1161 20.83 + 1162 3 16.788000 -3.311000 38.699000 75 " " I A 2 "ILE " " CA " 6 0 2 1 1162 20.83 + 1163 2 18.253000 -3.571000 39.063000 75 " " I A 2 "ILE " " C " 6 0 2 1 1163 20.83 + 1164 15 18.968000 -2.618000 39.367000 75 " " I A 2 "ILE " " O " 8 0 2 1 1164 6.75 + 1165 3 16.742000 -2.267000 37.547000 75 " " I A 2 "ILE " " CB " 6 0 2 1 1165 6.75 + 1166 3 15.293000 -1.914000 37.160000 75 " " I A 2 "ILE " " CG1" 6 0 2 1 1166 6.75 + 1167 3 17.537000 -2.698000 36.294000 75 " " I A 2 "ILE " " CG2" 6 0 2 1 1167 6.75 + 1168 3 15.137000 -0.550000 36.474000 75 " " I A 2 "ILE " " CD1" 6 0 2 1 1168 6.75 + 1169 43 16.515000 -1.909000 40.243000 75 " " I A 2 "ILE " " H " 1 0 2 1 1169 20.83 + 1170 41 16.311000 -4.232000 38.361000 75 " " I A 2 "ILE " " HA " 1 0 2 1 1170 20.83 + 1171 41 17.197000 -1.355000 37.916000 75 " " I A 2 "ILE " " HB " 1 0 2 1 1171 6.75 + 1172 41 14.645000 -1.907000 38.036000 75 " " I A 2 "ILE " "HG13" 1 0 2 1 1172 6.75 + 1173 41 14.913000 -2.704000 36.522000 75 " " I A 2 "ILE " "HG12" 1 0 2 1 1173 6.75 + 1174 41 17.483000 -1.943000 35.514000 75 " " I A 2 "ILE " "HG21" 1 0 2 1 1174 6.75 + 1175 41 18.596000 -2.852000 36.497000 75 " " I A 2 "ILE " "HG22" 1 0 2 1 1175 6.75 + 1176 41 17.138000 -3.623000 35.880000 75 " " I A 2 "ILE " "HG23" 1 0 2 1 1176 6.75 + 1177 41 14.137000 -0.439000 36.056000 75 " " I A 2 "ILE " "HD11" 1 0 2 1 1177 6.75 + 1178 41 15.280000 0.258000 37.190000 75 " " I A 2 "ILE " "HD12" 1 0 2 1 1178 6.75 + 1179 41 15.848000 -0.408000 35.661000 75 " " I A 2 "ILE " "HD13" 1 0 2 1 1179 6.75 + 1180 25 18.644000 -4.854000 39.068000 76 " " S A 2 "SER " " N " 7 0 0 1 1180 37.45 + 1181 3 19.934000 -5.335000 39.564000 76 " " S A 2 "SER " " CA " 6 0 0 1 1181 37.45 + 1182 2 21.143000 -4.851000 38.751000 76 " " S A 2 "SER " " C " 6 0 0 1 1182 37.45 + 1183 15 22.118000 -4.386000 39.339000 76 " " S A 2 "SER " " O " 8 0 0 1 1183 48.43 + 1184 3 19.914000 -6.873000 39.617000 76 " " S A 2 "SER " " CB " 6 0 0 1 1184 48.43 + 1185 16 19.046000 -7.312000 40.639000 76 " " S A 2 "SER " " OG " 8 0 0 1 1185 48.43 + 1186 43 17.970000 -5.573000 38.838000 76 " " S A 2 "SER " " H " 1 0 0 1 1186 37.45 + 1187 41 20.057000 -4.961000 40.579000 76 " " S A 2 "SER " " HA " 1 0 0 1 1187 37.45 + 1188 41 20.909000 -7.266000 39.837000 76 " " S A 2 "SER " " HB3" 1 0 0 1 1188 48.43 + 1189 41 19.604000 -7.304000 38.665000 76 " " S A 2 "SER " " HB2" 1 0 0 1 1189 48.43 + 1190 42 19.015000 -8.272000 40.629000 76 " " S A 2 "SER " " HG " 1 0 0 1 1190 48.43 + 1191 25 21.055000 -4.990000 37.423000 77 " " S A 2 "SER " " N " 7 0 0 1 1191 23.65 + 1192 3 22.139000 -4.695000 36.500000 77 " " S A 2 "SER " " CA " 6 0 0 1 1192 23.65 + 1193 2 21.520000 -3.938000 35.325000 77 " " S A 2 "SER " " C " 6 0 0 1 1193 23.65 + 1194 15 21.049000 -4.561000 34.378000 77 " " S A 2 "SER " " O " 8 0 0 1 1194 35.29 + 1195 3 22.835000 -6.024000 36.126000 77 " " S A 2 "SER " " CB " 6 0 0 1 1195 35.29 + 1196 16 24.025000 -5.810000 35.399000 77 " " S A 2 "SER " " OG " 8 0 0 1 1196 35.29 + 1197 43 20.208000 -5.354000 37.011000 77 " " S A 2 "SER " " H " 1 0 0 1 1197 23.65 + 1198 41 22.871000 -4.039000 36.974000 77 " " S A 2 "SER " " HA " 1 0 0 1 1198 23.65 + 1199 41 22.173000 -6.670000 35.548000 77 " " S A 2 "SER " " HB3" 1 0 0 1 1199 35.29 + 1200 41 23.098000 -6.575000 37.029000 77 " " S A 2 "SER " " HB2" 1 0 0 1 1200 35.29 + 1201 42 24.681000 -5.434000 35.992000 77 " " S A 2 "SER " " HG " 1 0 0 1 1201 35.29 + 1202 25 21.468000 -2.605000 35.467000 78 " " L A 2 "LEU " " N " 7 0 0 1 1202 7.9 + 1203 3 20.819000 -1.655000 34.564000 78 " " L A 2 "LEU " " CA " 6 0 0 1 1203 7.9 + 1204 2 21.352000 -1.749000 33.122000 78 " " L A 2 "LEU " " C " 6 0 0 1 1204 7.9 + 1205 15 22.564000 -1.797000 32.927000 78 " " L A 2 "LEU " " O " 8 0 0 1 1205 19.72 + 1206 3 21.012000 -0.256000 35.185000 78 " " L A 2 "LEU " " CB " 6 0 0 1 1206 19.72 + 1207 3 20.299000 0.913000 34.490000 78 " " L A 2 "LEU " " CG " 6 0 0 1 1207 19.72 + 1208 3 18.781000 0.852000 34.703000 78 " " L A 2 "LEU " " CD1" 6 0 0 1 1208 19.72 + 1209 3 20.864000 2.249000 34.995000 78 " " L A 2 "LEU " " CD2" 6 0 0 1 1209 19.72 + 1210 43 21.865000 -2.192000 36.301000 78 " " L A 2 "LEU " " H " 1 0 0 1 1210 7.9 + 1211 41 19.757000 -1.900000 34.556000 78 " " L A 2 "LEU " " HA " 1 0 0 1 1211 7.9 + 1212 41 22.083000 -0.048000 35.223000 78 " " L A 2 "LEU " " HB3" 1 0 0 1 1212 19.72 + 1213 41 20.669000 -0.273000 36.220000 78 " " L A 2 "LEU " " HB2" 1 0 0 1 1213 19.72 + 1214 41 20.490000 0.858000 33.419000 78 " " L A 2 "LEU " " HG " 1 0 0 1 1214 19.72 + 1215 41 18.281000 1.686000 34.212000 78 " " L A 2 "LEU " "HD11" 1 0 0 1 1215 19.72 + 1216 41 18.359000 -0.063000 34.294000 78 " " L A 2 "LEU " "HD12" 1 0 0 1 1216 19.72 + 1217 41 18.532000 0.883000 35.764000 78 " " L A 2 "LEU " "HD13" 1 0 0 1 1217 19.72 + 1218 41 20.102000 3.023000 35.069000 78 " " L A 2 "LEU " "HD21" 1 0 0 1 1218 19.72 + 1219 41 21.332000 2.152000 35.975000 78 " " L A 2 "LEU " "HD22" 1 0 0 1 1219 19.72 + 1220 41 21.625000 2.613000 34.308000 78 " " L A 2 "LEU " "HD23" 1 0 0 1 1220 19.72 + 1221 25 20.436000 -1.796000 32.146000 79 " " E A 2 "GLU " " N " 7 0 0 1 1221 12.8 + 1222 3 20.753000 -1.991000 30.730000 79 " " E A 2 "GLU " " CA " 6 0 0 1 1222 12.8 + 1223 2 20.158000 -0.878000 29.860000 79 " " E A 2 "GLU " " C " 6 0 0 1 1223 12.8 + 1224 15 19.432000 -0.016000 30.356000 79 " " E A 2 "GLU " " O " 8 0 0 1 1224 59.84 + 1225 3 20.288000 -3.398000 30.296000 79 " " E A 2 "GLU " " CB " 6 0 0 1 1225 59.84 + 1226 3 21.225000 -4.506000 30.819000 79 " " E A 2 "GLU " " CG " 6 0 0 1 1226 59.84 + 1227 2 20.794000 -5.929000 30.460000 79 " " E A 2 "GLU " " CD " 6 0 0 1 1227 59.84 + 1228 15 19.882000 -6.079000 29.617000 79 " " E A 2 "GLU " " OE1" 8 0 0 1 1228 59.84 + 1229 18 21.395000 -6.857000 31.043000 79 " " E A 2 "GLU " " OE2" 8 -1 0 1 1229 59.84 + 1230 43 19.451000 -1.765000 32.380000 79 " " E A 2 "GLU " " H " 1 0 0 1 1230 12.8 + 1231 41 21.830000 -1.929000 30.567000 79 " " E A 2 "GLU " " HA " 1 0 0 1 1231 12.8 + 1232 41 20.229000 -3.469000 29.209000 79 " " E A 2 "GLU " " HB3" 1 0 0 1 1232 59.84 + 1233 41 19.274000 -3.574000 30.662000 79 " " E A 2 "GLU " " HB2" 1 0 0 1 1233 59.84 + 1234 41 21.307000 -4.448000 31.901000 79 " " E A 2 "GLU " " HG3" 1 0 0 1 1234 59.84 + 1235 41 22.231000 -4.352000 30.428000 79 " " E A 2 "GLU " " HG2" 1 0 0 1 1235 59.84 + 1236 25 20.521000 -0.911000 28.566000 80 " " S A 2 "SER " " N " 7 0 0 1 1236 19.63 + 1237 3 20.147000 0.077000 27.554000 80 " " S A 2 "SER " " CA " 6 0 0 1 1237 19.63 + 1238 2 18.628000 0.223000 27.368000 80 " " S A 2 "SER " " C " 6 0 0 1 1238 19.63 + 1239 15 18.155000 1.355000 27.309000 80 " " S A 2 "SER " " O " 8 0 0 1 1239 57.46 + 1240 3 20.822000 -0.268000 26.213000 80 " " S A 2 "SER " " CB " 6 0 0 1 1240 57.46 + 1241 16 22.222000 -0.100000 26.290000 80 " " S A 2 "SER " " OG " 8 0 0 1 1241 57.46 + 1242 43 21.133000 -1.647000 28.246000 80 " " S A 2 "SER " " H " 1 0 0 1 1242 19.63 + 1243 41 20.525000 1.044000 27.891000 80 " " S A 2 "SER " " HA " 1 0 0 1 1243 19.63 + 1244 41 20.465000 0.402000 25.431000 80 " " S A 2 "SER " " HB3" 1 0 0 1 1244 57.46 + 1245 41 20.589000 -1.286000 25.898000 80 " " S A 2 "SER " " HB2" 1 0 0 1 1245 57.46 + 1246 42 22.592000 -0.232000 25.413000 80 " " S A 2 "SER " " HG " 1 0 0 1 1246 57.46 + 1247 25 17.885000 -0.901000 27.319000 81 " " D A 2 "ASP " " N " 7 0 0 1 1247 21.2 + 1248 3 16.422000 -0.907000 27.187000 81 " " D A 2 "ASP " " CA " 6 0 0 1 1248 21.2 + 1249 2 15.696000 -0.821000 28.552000 81 " " D A 2 "ASP " " C " 6 0 0 1 1249 21.2 + 1250 15 14.535000 -1.220000 28.644000 81 " " D A 2 "ASP " " O " 8 0 0 1 1250 40.41 + 1251 3 15.842000 -2.024000 26.276000 81 " " D A 2 "ASP " " CB " 6 0 0 1 1251 40.41 + 1252 2 16.190000 -3.469000 26.643000 81 " " D A 2 "ASP " " CG " 6 0 0 1 1252 40.41 + 1253 15 17.284000 -3.699000 27.202000 81 " " D A 2 "ASP " " OD1" 8 0 0 1 1253 40.41 + 1254 18 15.368000 -4.338000 26.279000 81 " " D A 2 "ASP " " OD2" 8 -1 0 1 1254 40.41 + 1255 43 18.321000 -1.812000 27.384000 81 " " D A 2 "ASP " " H " 1 0 0 1 1255 21.2 + 1256 41 16.159000 0.013000 26.667000 81 " " D A 2 "ASP " " HA " 1 0 0 1 1256 21.2 + 1257 41 16.191000 -1.867000 25.257000 81 " " D A 2 "ASP " " HB3" 1 0 0 1 1257 40.41 + 1258 41 14.756000 -1.930000 26.233000 81 " " D A 2 "ASP " " HB2" 1 0 0 1 1258 40.41 + 1259 25 16.350000 -0.222000 29.560000 82 " " D A 2 "ASP " " N " 7 0 0 1 1259 9.62 + 1260 3 15.735000 0.218000 30.817000 82 " " D A 2 "ASP " " CA " 6 0 0 1 1260 9.62 + 1261 2 15.498000 1.736000 30.843000 82 " " D A 2 "ASP " " C " 6 0 0 1 1261 9.62 + 1262 15 14.923000 2.211000 31.823000 82 " " D A 2 "ASP " " O " 8 0 0 1 1262 12.97 + 1263 3 16.498000 -0.258000 32.077000 82 " " D A 2 "ASP " " CB " 6 0 0 1 1263 12.97 + 1264 2 16.664000 -1.777000 32.164000 82 " " D A 2 "ASP " " CG " 6 0 0 1 1264 12.97 + 1265 15 15.818000 -2.491000 31.584000 82 " " D A 2 "ASP " " OD1" 8 0 0 1 1265 12.97 + 1266 18 17.583000 -2.217000 32.887000 82 " " D A 2 "ASP " " OD2" 8 -1 0 1 1266 12.97 + 1267 43 17.317000 0.046000 29.430000 82 " " D A 2 "ASP " " H " 1 0 0 1 1267 9.62 + 1268 41 14.733000 -0.208000 30.886000 82 " " D A 2 "ASP " " HA " 1 0 0 1 1268 9.62 + 1269 41 15.995000 0.075000 32.986000 82 " " D A 2 "ASP " " HB3" 1 0 0 1 1269 12.97 + 1270 41 17.489000 0.196000 32.069000 82 " " D A 2 "ASP " " HB2" 1 0 0 1 1270 12.97 + 1271 25 15.875000 2.470000 29.774000 83 " " T A 2 "THR " " N " 7 0 0 1 1271 6.9 + 1272 3 15.532000 3.884000 29.623000 83 " " T A 2 "THR " " CA " 6 0 0 1 1272 6.9 + 1273 2 14.041000 4.061000 29.294000 83 " " T A 2 "THR " " C " 6 0 0 1 1273 6.9 + 1274 15 13.620000 3.856000 28.156000 83 " " T A 2 "THR " " O " 8 0 0 1 1274 41.89 + 1275 3 16.364000 4.665000 28.568000 83 " " T A 2 "THR " " CB " 6 0 0 1 1275 41.89 + 1276 16 17.581000 4.022000 28.265000 83 " " T A 2 "THR " " OG1" 8 0 0 1 1276 41.89 + 1277 3 16.713000 6.044000 29.129000 83 " " T A 2 "THR " " CG2" 6 0 0 1 1277 41.89 + 1278 43 16.394000 2.050000 29.015000 83 " " T A 2 "THR " " H " 1 0 0 1 1278 6.9 + 1279 41 15.712000 4.343000 30.598000 83 " " T A 2 "THR " " HA " 1 0 0 1 1279 6.9 + 1280 41 15.846000 4.792000 27.616000 83 " " T A 2 "THR " " HB " 1 0 0 1 1280 41.89 + 1281 42 18.141000 4.630000 27.773000 83 " " T A 2 "THR " " HG1" 1 0 0 1 1281 41.89 + 1282 41 17.398000 6.587000 28.498000 83 " " T A 2 "THR " "HG21" 1 0 0 1 1282 41.89 + 1283 41 15.822000 6.658000 29.266000 83 " " T A 2 "THR " "HG22" 1 0 0 1 1283 41.89 + 1284 41 17.211000 5.935000 30.090000 83 " " T A 2 "THR " "HG23" 1 0 0 1 1284 41.89 + 1285 25 13.266000 4.363000 30.337000 84 " " A A 2 "ALA " " N " 7 0 2 1 1285 8.95 + 1286 3 11.812000 4.330000 30.338000 84 " " A A 2 "ALA " " CA " 6 0 2 1 1286 8.95 + 1287 2 11.308000 5.055000 31.586000 84 " " A A 2 "ALA " " C " 6 0 2 1 1287 8.95 + 1288 15 12.101000 5.397000 32.468000 84 " " A A 2 "ALA " " O " 8 0 2 1 1288 12.75 + 1289 3 11.339000 2.863000 30.327000 84 " " A A 2 "ALA " " CB " 6 0 2 1 1289 12.75 + 1290 43 13.690000 4.530000 31.239000 84 " " A A 2 "ALA " " H " 1 0 2 1 1290 8.95 + 1291 41 11.431000 4.852000 29.458000 84 " " A A 2 "ALA " " HA " 1 0 2 1 1291 8.95 + 1292 41 10.255000 2.791000 30.412000 84 " " A A 2 "ALA " " HB1" 1 0 2 1 1292 12.75 + 1293 41 11.619000 2.358000 29.404000 84 " " A A 2 "ALA " " HB2" 1 0 2 1 1293 12.75 + 1294 41 11.775000 2.302000 31.155000 84 " " A A 2 "ALA " " HB3" 1 0 2 1 1294 12.75 + 1295 25 9.985000 5.256000 31.639000 85 " " T A 2 "THR " " N " 7 0 2 1 1295 14.54 + 1296 3 9.310000 5.801000 32.809000 85 " " T A 2 "THR " " CA " 6 0 2 1 1296 14.54 + 1297 2 8.583000 4.673000 33.553000 85 " " T A 2 "THR " " C " 6 0 2 1 1297 14.54 + 1298 15 7.786000 3.962000 32.950000 85 " " T A 2 "THR " " O " 8 0 2 1 1298 8.36 + 1299 3 8.288000 6.901000 32.445000 85 " " T A 2 "THR " " CB " 6 0 2 1 1299 8.36 + 1300 16 8.944000 7.890000 31.675000 85 " " T A 2 "THR " " OG1" 8 0 2 1 1300 8.36 + 1301 3 7.681000 7.605000 33.673000 85 " " T A 2 "THR " " CG2" 6 0 2 1 1301 8.36 + 1302 43 9.390000 4.942000 30.883000 85 " " T A 2 "THR " " H " 1 0 2 1 1302 14.54 + 1303 41 10.043000 6.254000 33.467000 85 " " T A 2 "THR " " HA " 1 0 2 1 1303 14.54 + 1304 41 7.484000 6.486000 31.834000 85 " " T A 2 "THR " " HB " 1 0 2 1 1304 8.36 + 1305 42 9.256000 7.482000 30.864000 85 " " T A 2 "THR " " HG1" 1 0 2 1 1305 8.36 + 1306 41 7.017000 8.414000 33.369000 85 " " T A 2 "THR " "HG21" 1 0 2 1 1306 8.36 + 1307 41 7.100000 6.924000 34.294000 85 " " T A 2 "THR " "HG22" 1 0 2 1 1307 8.36 + 1308 41 8.457000 8.043000 34.301000 85 " " T A 2 "THR " "HG23" 1 0 2 1 1308 8.36 + 1309 25 8.886000 4.534000 34.848000 86 " " Y A 2 "TYR " " N " 7 0 2 1 1309 2.48 + 1310 3 8.351000 3.501000 35.726000 86 " " Y A 2 "TYR " " CA " 6 0 2 1 1310 2.48 + 1311 2 7.279000 4.113000 36.617000 86 " " Y A 2 "TYR " " C " 6 0 2 1 1311 2.48 + 1312 15 7.551000 5.142000 37.223000 86 " " Y A 2 "TYR " " O " 8 0 2 1 1312 2.48 + 1313 3 9.488000 2.918000 36.583000 86 " " Y A 2 "TYR " " CB " 6 0 2 1 1313 2.48 + 1314 2 10.531000 2.214000 35.745000 86 " " Y A 2 "TYR " " CG " 6 0 2 1 1314 2.48 + 1315 2 11.571000 2.955000 35.145000 86 " " Y A 2 "TYR " " CD1" 6 0 2 1 1315 2.48 + 1316 2 10.422000 0.832000 35.500000 86 " " Y A 2 "TYR " " CD2" 6 0 2 1 1316 2.48 + 1317 2 12.474000 2.320000 34.276000 86 " " Y A 2 "TYR " " CE1" 6 0 2 1 1317 2.48 + 1318 2 11.350000 0.200000 34.654000 86 " " Y A 2 "TYR " " CE2" 6 0 2 1 1318 2.48 + 1319 2 12.372000 0.940000 34.040000 86 " " Y A 2 "TYR " " CZ " 6 0 2 1 1319 2.48 + 1320 16 13.253000 0.316000 33.210000 86 " " Y A 2 "TYR " " OH " 8 0 2 1 1320 2.48 + 1321 43 9.534000 5.186000 35.274000 86 " " Y A 2 "TYR " " H " 1 0 2 1 1321 2.48 + 1322 41 7.945000 2.693000 35.129000 86 " " Y A 2 "TYR " " HA " 1 0 2 1 1322 2.48 + 1323 41 9.087000 2.207000 37.308000 86 " " Y A 2 "TYR " " HB3" 1 0 2 1 1323 2.48 + 1324 41 9.971000 3.705000 37.166000 86 " " Y A 2 "TYR " " HB2" 1 0 2 1 1324 2.48 + 1325 41 11.654000 4.020000 35.314000 86 " " Y A 2 "TYR " " HD1" 1 0 2 1 1325 2.48 + 1326 41 9.622000 0.265000 35.952000 86 " " Y A 2 "TYR " " HD2" 1 0 2 1 1326 2.48 + 1327 41 13.234000 2.891000 33.773000 86 " " Y A 2 "TYR " " HE1" 1 0 2 1 1327 2.48 + 1328 41 11.284000 -0.850000 34.451000 86 " " Y A 2 "TYR " " HE2" 1 0 2 1 1328 2.48 + 1329 42 13.913000 0.919000 32.851000 86 " " Y A 2 "TYR " " HH " 1 0 2 1 1329 2.48 + 1330 25 6.114000 3.462000 36.711000 87 " " Y A 2 "TYR " " N " 7 0 2 1 1330 25.21 + 1331 3 5.017000 3.832000 37.605000 87 " " Y A 2 "TYR " " CA " 6 0 2 1 1331 25.21 + 1332 2 4.730000 2.649000 38.522000 87 " " Y A 2 "TYR " " C " 6 0 2 1 1332 25.21 + 1333 15 4.704000 1.522000 38.033000 87 " " Y A 2 "TYR " " O " 8 0 2 1 1333 13.88 + 1334 3 3.740000 4.131000 36.793000 87 " " Y A 2 "TYR " " CB " 6 0 2 1 1334 13.88 + 1335 2 3.890000 5.226000 35.762000 87 " " Y A 2 "TYR " " CG " 6 0 2 1 1335 13.88 + 1336 2 3.711000 6.575000 36.130000 87 " " Y A 2 "TYR " " CD1" 6 0 2 1 1336 13.88 + 1337 2 4.224000 4.895000 34.433000 87 " " Y A 2 "TYR " " CD2" 6 0 2 1 1337 13.88 + 1338 2 3.868000 7.591000 35.169000 87 " " Y A 2 "TYR " " CE1" 6 0 2 1 1338 13.88 + 1339 2 4.375000 5.911000 33.474000 87 " " Y A 2 "TYR " " CE2" 6 0 2 1 1339 13.88 + 1340 2 4.193000 7.258000 33.839000 87 " " Y A 2 "TYR " " CZ " 6 0 2 1 1340 13.88 + 1341 16 4.339000 8.234000 32.899000 87 " " Y A 2 "TYR " " OH " 8 0 2 1 1341 13.88 + 1342 43 5.973000 2.620000 36.165000 87 " " Y A 2 "TYR " " H " 1 0 2 1 1342 25.21 + 1343 41 5.267000 4.707000 38.204000 87 " " Y A 2 "TYR " " HA " 1 0 2 1 1343 25.21 + 1344 41 2.931000 4.411000 37.470000 87 " " Y A 2 "TYR " " HB3" 1 0 2 1 1344 13.88 + 1345 41 3.393000 3.232000 36.280000 87 " " Y A 2 "TYR " " HB2" 1 0 2 1 1345 13.88 + 1346 41 3.465000 6.833000 37.149000 87 " " Y A 2 "TYR " " HD1" 1 0 2 1 1346 13.88 + 1347 41 4.369000 3.864000 34.146000 87 " " Y A 2 "TYR " " HD2" 1 0 2 1 1347 13.88 + 1348 41 3.745000 8.623000 35.459000 87 " " Y A 2 "TYR " " HE1" 1 0 2 1 1348 13.88 + 1349 41 4.633000 5.651000 32.460000 87 " " Y A 2 "TYR " " HE2" 1 0 2 1 1349 13.88 + 1350 42 4.527000 7.882000 32.025000 87 " " Y A 2 "TYR " " HH " 1 0 2 1 1350 13.88 + 1351 25 4.419000 2.922000 39.797000 88 " " C A 2 "CYS " " N " 7 0 2 1 1351 5.78 + 1352 3 3.623000 1.990000 40.594000 88 " " C A 2 "CYS " " CA " 6 0 2 1 1352 5.78 + 1353 2 2.133000 2.281000 40.361000 88 " " C A 2 "CYS " " C " 6 0 2 1 1353 5.78 + 1354 15 1.778000 3.390000 39.968000 88 " " C A 2 "CYS " " O " 8 0 2 1 1354 2.48 + 1355 3 4.007000 2.054000 42.077000 88 " " C A 2 "CYS " " CB " 6 0 2 1 1355 2.48 + 1356 49 3.663000 3.594000 42.958000 88 " " C A 2 "CYS " " SG " 16 0 2 1 1356 2.48 + 1357 43 4.471000 3.871000 40.140000 88 " " C A 2 "CYS " " H " 1 0 2 1 1357 5.78 + 1358 41 3.842000 0.975000 40.275000 88 " " C A 2 "CYS " " HA " 1 0 2 1 1358 5.78 + 1359 41 5.061000 1.822000 42.185000 88 " " C A 2 "CYS " " HB3" 1 0 2 1 1359 2.48 + 1360 41 3.494000 1.256000 42.607000 88 " " C A 2 "CYS " " HB2" 1 0 2 1 1360 2.48 + 1361 25 1.298000 1.270000 40.604000 89 " " L A 2 "LEU " " N " 7 0 2 1 1361 2.48 + 1362 3 -0.143000 1.313000 40.422000 89 " " L A 2 "LEU " " CA " 6 0 2 1 1362 2.48 + 1363 2 -0.740000 0.444000 41.521000 89 " " L A 2 "LEU " " C " 6 0 2 1 1363 2.48 + 1364 15 -0.556000 -0.772000 41.486000 89 " " L A 2 "LEU " " O " 8 0 2 1 1364 2.48 + 1365 3 -0.488000 0.851000 38.981000 89 " " L A 2 "LEU " " CB " 6 0 2 1 1365 2.48 + 1366 3 -1.985000 0.709000 38.602000 89 " " L A 2 "LEU " " CG " 6 0 2 1 1366 2.48 + 1367 3 -2.603000 -0.624000 39.050000 89 " " L A 2 "LEU " " CD1" 6 0 2 1 1367 2.48 + 1368 3 -2.853000 1.923000 38.991000 89 " " L A 2 "LEU " " CD2" 6 0 2 1 1368 2.48 + 1369 43 1.675000 0.373000 40.879000 89 " " L A 2 "LEU " " H " 1 0 2 1 1369 2.48 + 1370 41 -0.497000 2.332000 40.568000 89 " " L A 2 "LEU " " HA " 1 0 2 1 1370 2.48 + 1371 41 0.023000 -0.090000 38.777000 89 " " L A 2 "LEU " " HB3" 1 0 2 1 1371 2.48 + 1372 41 -0.033000 1.563000 38.295000 89 " " L A 2 "LEU " " HB2" 1 0 2 1 1372 2.48 + 1373 41 -1.989000 0.667000 37.512000 89 " " L A 2 "LEU " " HG " 1 0 2 1 1373 2.48 + 1374 41 -3.327000 -0.989000 38.320000 89 " " L A 2 "LEU " "HD11" 1 0 2 1 1374 2.48 + 1375 41 -1.854000 -1.405000 39.182000 89 " " L A 2 "LEU " "HD12" 1 0 2 1 1375 2.48 + 1376 41 -3.113000 -0.503000 40.001000 89 " " L A 2 "LEU " "HD13" 1 0 2 1 1376 2.48 + 1377 41 -3.547000 2.175000 38.189000 89 " " L A 2 "LEU " "HD21" 1 0 2 1 1377 2.48 + 1378 41 -3.447000 1.741000 39.884000 89 " " L A 2 "LEU " "HD22" 1 0 2 1 1378 2.48 + 1379 41 -2.251000 2.809000 39.178000 89 " " L A 2 "LEU " "HD23" 1 0 2 1 1379 2.48 + 1380 25 -1.433000 1.087000 42.474000 90 " " Q A 2 "GLN " " N " 7 0 2 1 1380 7.53 + 1381 3 -2.201000 0.389000 43.497000 90 " " Q A 2 "GLN " " CA " 6 0 2 1 1381 7.53 + 1382 2 -3.592000 0.086000 42.921000 90 " " Q A 2 "GLN " " C " 6 0 2 1 1382 7.53 + 1383 15 -4.195000 0.950000 42.283000 90 " " Q A 2 "GLN " " O " 8 0 2 1 1383 2.48 + 1384 3 -2.177000 1.189000 44.827000 90 " " Q A 2 "GLN " " CB " 6 0 2 1 1384 2.48 + 1385 3 -3.333000 2.171000 45.137000 90 " " Q A 2 "GLN " " CG " 6 0 2 1 1385 2.48 + 1386 2 -4.619000 1.513000 45.661000 90 " " Q A 2 "GLN " " CD " 6 0 2 1 1386 2.48 + 1387 15 -4.611000 0.384000 46.150000 90 " " Q A 2 "GLN " " OE1" 8 0 2 1 1387 2.48 + 1388 25 -5.740000 2.224000 45.551000 90 " " Q A 2 "GLN " " NE2" 7 0 2 1 1388 2.48 + 1389 43 -1.544000 2.092000 42.432000 90 " " Q A 2 "GLN " " H " 1 0 2 1 1389 7.53 + 1390 41 -1.693000 -0.550000 43.694000 90 " " Q A 2 "GLN " " HA " 1 0 2 1 1390 7.53 + 1391 41 -1.242000 1.744000 44.860000 90 " " Q A 2 "GLN " " HB3" 1 0 2 1 1391 2.48 + 1392 41 -2.087000 0.481000 45.651000 90 " " Q A 2 "GLN " " HB2" 1 0 2 1 1392 2.48 + 1393 41 -3.550000 2.777000 44.259000 90 " " Q A 2 "GLN " " HG3" 1 0 2 1 1393 2.48 + 1394 41 -3.003000 2.865000 45.910000 90 " " Q A 2 "GLN " " HG2" 1 0 2 1 1394 2.48 + 1395 43 -6.625000 1.833000 45.846000 90 " " Q A 2 "GLN " "HE22" 1 0 2 1 1395 2.48 + 1396 43 -5.732000 3.150000 45.149000 90 " " Q A 2 "GLN " "HE21" 1 0 2 1 1396 2.48 + 1397 25 -4.065000 -1.139000 43.173000 91 " " H A 2 "HIS " " N " 7 0 0 1 1397 18.82 + 1398 3 -5.334000 -1.667000 42.672000 91 " " H A 2 "HIS " " CA " 6 0 0 1 1398 18.82 + 1399 2 -6.041000 -2.532000 43.727000 91 " " H A 2 "HIS " " C " 6 0 0 1 1399 18.82 + 1400 15 -6.816000 -3.416000 43.362000 91 " " H A 2 "HIS " " O " 8 0 0 1 1400 2.48 + 1401 3 -5.115000 -2.423000 41.340000 91 " " H A 2 "HIS " " CB " 6 0 0 1 1401 2.48 + 1402 2 -4.258000 -3.661000 41.435000 91 " " H A 2 "HIS " " CG " 6 0 0 1 1402 2.48 + 1403 25 -2.955000 -3.652000 41.947000 91 " " H A 2 "HIS " " ND1" 7 0 0 1 1403 2.48 + 1404 2 -4.599000 -4.957000 41.111000 91 " " H A 2 "HIS " " CD2" 6 0 0 1 1404 2.48 + 1405 2 -2.591000 -4.925000 41.967000 91 " " H A 2 "HIS " " CE1" 6 0 0 1 1405 2.48 + 1406 25 -3.521000 -5.741000 41.474000 91 " " H A 2 "HIS " " NE2" 7 0 0 1 1406 2.48 + 1407 43 -3.490000 -1.790000 43.692000 91 " " H A 2 "HIS " " H " 1 0 0 1 1407 18.82 + 1408 41 -6.009000 -0.833000 42.482000 91 " " H A 2 "HIS " " HA " 1 0 0 1 1408 18.82 + 1409 41 -4.706000 -1.760000 40.586000 91 " " H A 2 "HIS " " HB3" 1 0 0 1 1409 2.48 + 1410 41 -6.079000 -2.733000 40.938000 91 " " H A 2 "HIS " " HB2" 1 0 0 1 1410 2.48 + 1411 41 -5.505000 -5.373000 40.694000 91 " " H A 2 "HIS " " HD2" 1 0 0 1 1411 2.48 + 1412 41 -1.638000 -5.266000 42.341000 91 " " H A 2 "HIS " " HE1" 1 0 0 1 1412 2.48 + 1413 43 -3.445000 -6.743000 41.367000 91 " " H A 2 "HIS " " HE2" 1 0 0 1 1413 2.48 + 1414 25 -5.769000 -2.273000 45.017000 92 " " G A 2 "GLY " " N " 7 0 0 1 1414 15.2 + 1415 3 -6.361000 -3.023000 46.123000 92 " " G A 2 "GLY " " CA " 6 0 0 1 1415 15.2 + 1416 2 -7.805000 -2.588000 46.402000 92 " " G A 2 "GLY " " C " 6 0 0 1 1416 15.2 + 1417 15 -8.565000 -3.376000 46.964000 92 " " G A 2 "GLY " " O " 8 0 0 1 1417 5.79 + 1418 43 -5.135000 -1.521000 45.253000 92 " " G A 2 "GLY " " H " 1 0 0 1 1418 15.2 + 1419 41 -5.765000 -2.848000 47.020000 92 " " G A 2 "GLY " " HA3" 1 0 0 1 1419 15.2 + 1420 41 -6.329000 -4.095000 45.923000 92 " " G A 2 "GLY " " HA2" 1 0 0 1 1420 15.2 + 1421 25 -8.172000 -1.350000 46.028000 93 " " E A 2 "GLU " " N " 7 0 0 1 1421 2.48 + 1422 3 -9.441000 -0.704000 46.358000 93 " " E A 2 "GLU " " CA " 6 0 0 1 1422 2.48 + 1423 2 -9.557000 0.636000 45.616000 93 " " E A 2 "GLU " " C " 6 0 0 1 1423 2.48 + 1424 15 -8.547000 1.257000 45.284000 93 " " E A 2 "GLU " " O " 8 0 0 1 1424 22.89 + 1425 3 -9.583000 -0.539000 47.892000 93 " " E A 2 "GLU " " CB " 6 0 0 1 1425 22.89 + 1426 3 -8.401000 0.178000 48.580000 93 " " E A 2 "GLU " " CG " 6 0 0 1 1426 22.89 + 1427 2 -8.524000 0.112000 50.099000 93 " " E A 2 "GLU " " CD " 6 0 0 1 1427 22.89 + 1428 15 -9.150000 1.036000 50.659000 93 " " E A 2 "GLU " " OE1" 8 0 0 1 1428 22.89 + 1429 18 -8.001000 -0.872000 50.669000 93 " " E A 2 "GLU " " OE2" 8 -1 0 1 1429 22.89 + 1430 43 -7.503000 -0.763000 45.550000 93 " " E A 2 "GLU " " H " 1 0 0 1 1430 2.48 + 1431 41 -10.246000 -1.349000 45.999000 93 " " E A 2 "GLU " " HA " 1 0 0 1 1431 2.48 + 1432 41 -9.742000 -1.515000 48.352000 93 " " E A 2 "GLU " " HB3" 1 0 0 1 1432 22.89 + 1433 41 -10.497000 0.018000 48.105000 93 " " E A 2 "GLU " " HB2" 1 0 0 1 1433 22.89 + 1434 41 -8.356000 1.222000 48.268000 93 " " E A 2 "GLU " " HG3" 1 0 0 1 1434 22.89 + 1435 41 -7.446000 -0.268000 48.304000 93 " " E A 2 "GLU " " HG2" 1 0 0 1 1435 22.89 + 1436 25 -10.810000 1.031000 45.357000 94 " " S A 2 "SER " " N " 7 0 0 1 1436 13.63 + 1437 3 -11.200000 2.181000 44.543000 94 " " S A 2 "SER " " CA " 6 0 0 1 1437 13.63 + 1438 2 -10.926000 3.521000 45.268000 94 " " S A 2 "SER " " C " 6 0 0 1 1438 13.63 + 1439 15 -11.241000 3.611000 46.455000 94 " " S A 2 "SER " " O " 8 0 0 1 1439 8.02 + 1440 3 -12.713000 2.042000 44.297000 94 " " S A 2 "SER " " CB " 6 0 0 1 1440 8.02 + 1441 16 -12.989000 0.808000 43.662000 94 " " S A 2 "SER " " OG " 8 0 0 1 1441 8.02 + 1442 43 -11.578000 0.458000 45.675000 94 " " S A 2 "SER " " H " 1 0 0 1 1442 13.63 + 1443 41 -10.668000 2.097000 43.597000 94 " " S A 2 "SER " " HA " 1 0 0 1 1443 13.63 + 1444 41 -13.073000 2.853000 43.663000 94 " " S A 2 "SER " " HB3" 1 0 0 1 1444 8.02 + 1445 41 -13.275000 2.089000 45.231000 94 " " S A 2 "SER " " HB2" 1 0 0 1 1445 8.02 + 1446 42 -13.939000 0.729000 43.546000 94 " " S A 2 "SER " " HG " 1 0 0 1 1446 8.02 + 1447 25 -10.397000 4.551000 44.566000 95 " " P A 2 "PRO " " N " 7 0 0 1 1447 19.26 + 1448 3 -9.933000 4.534000 43.171000 95 " " P A 2 "PRO " " CA " 6 0 0 1 1448 19.26 + 1449 2 -8.513000 3.956000 43.047000 95 " " P A 2 "PRO " " C " 6 0 0 1 1449 19.26 + 1450 15 -7.709000 4.096000 43.971000 95 " " P A 2 "PRO " " O " 8 0 0 1 1450 9.45 + 1451 3 -9.966000 6.020000 42.795000 95 " " P A 2 "PRO " " CB " 6 0 0 1 1451 9.45 + 1452 3 -9.593000 6.750000 44.072000 95 " " P A 2 "PRO " " CG " 6 0 0 1 1452 9.45 + 1453 3 -10.222000 5.881000 45.157000 95 " " P A 2 "PRO " " CD " 6 0 0 1 1453 9.45 + 1454 41 -10.619000 3.986000 42.525000 95 " " P A 2 "PRO " " HA " 1 0 0 1 1454 19.26 + 1455 41 -10.986000 6.281000 42.522000 95 " " P A 2 "PRO " " HB3" 1 0 0 1 1455 9.45 + 1456 41 -9.319000 6.278000 41.955000 95 " " P A 2 "PRO " " HB2" 1 0 0 1 1456 9.45 + 1457 41 -9.931000 7.786000 44.095000 95 " " P A 2 "PRO " " HG3" 1 0 0 1 1457 9.45 + 1458 41 -8.508000 6.753000 44.185000 95 " " P A 2 "PRO " " HG2" 1 0 0 1 1458 9.45 + 1459 41 -9.576000 5.836000 46.032000 95 " " P A 2 "PRO " " HD2" 1 0 0 1 1459 9.45 + 1460 41 -11.195000 6.275000 45.457000 95 " " P A 2 "PRO " " HD3" 1 0 0 1 1460 9.45 + 1461 25 -8.229000 3.331000 41.894000 96 " " Y A 2 "TYR " " N " 7 0 0 1 1461 6.99 + 1462 3 -6.901000 2.804000 41.576000 96 " " Y A 2 "TYR " " CA " 6 0 0 1 1462 6.99 + 1463 2 -5.968000 3.974000 41.248000 96 " " Y A 2 "TYR " " C " 6 0 0 1 1463 6.99 + 1464 15 -6.276000 4.757000 40.352000 96 " " Y A 2 "TYR " " O " 8 0 0 1 1464 2.48 + 1465 3 -6.978000 1.811000 40.400000 96 " " Y A 2 "TYR " " CB " 6 0 0 1 1465 2.48 + 1466 2 -7.731000 0.504000 40.615000 96 " " Y A 2 "TYR " " CG " 6 0 0 1 1466 2.48 + 1467 2 -8.459000 0.225000 41.796000 96 " " Y A 2 "TYR " " CD1" 6 0 0 1 1467 2.48 + 1468 2 -7.672000 -0.473000 39.600000 96 " " Y A 2 "TYR " " CD2" 6 0 0 1 1468 2.48 + 1469 2 -9.118000 -1.007000 41.955000 96 " " Y A 2 "TYR " " CE1" 6 0 0 1 1469 2.48 + 1470 2 -8.319000 -1.712000 39.766000 96 " " Y A 2 "TYR " " CE2" 6 0 0 1 1470 2.48 + 1471 2 -9.045000 -1.978000 40.940000 96 " " Y A 2 "TYR " " CZ " 6 0 0 1 1471 2.48 + 1472 16 -9.668000 -3.180000 41.096000 96 " " Y A 2 "TYR " " OH " 8 0 0 1 1472 2.48 + 1473 43 -8.926000 3.261000 41.166000 96 " " Y A 2 "TYR " " H " 1 0 0 1 1473 6.99 + 1474 41 -6.517000 2.273000 42.449000 96 " " Y A 2 "TYR " " HA " 1 0 0 1 1474 6.99 + 1475 41 -5.962000 1.531000 40.116000 96 " " Y A 2 "TYR " " HB3" 1 0 0 1 1475 2.48 + 1476 41 -7.401000 2.300000 39.525000 96 " " Y A 2 "TYR " " HB2" 1 0 0 1 1476 2.48 + 1477 41 -8.514000 0.930000 42.609000 96 " " Y A 2 "TYR " " HD1" 1 0 0 1 1477 2.48 + 1478 41 -7.113000 -0.281000 38.697000 96 " " Y A 2 "TYR " " HD2" 1 0 0 1 1478 2.48 + 1479 41 -9.664000 -1.208000 42.865000 96 " " Y A 2 "TYR " " HE1" 1 0 0 1 1479 2.48 + 1480 41 -8.248000 -2.466000 38.994000 96 " " Y A 2 "TYR " " HE2" 1 0 0 1 1480 2.48 + 1481 42 -10.085000 -3.283000 41.955000 96 " " Y A 2 "TYR " " HH " 1 0 0 1 1481 2.48 + 1482 25 -4.876000 4.092000 42.014000 97 " " T A 2 "THR " " N " 7 0 2 1 1482 6.82 + 1483 3 -3.999000 5.256000 41.980000 97 " " T A 2 "THR " " CA " 6 0 2 1 1483 6.82 + 1484 2 -2.614000 4.846000 41.469000 97 " " T A 2 "THR " " C " 6 0 2 1 1484 6.82 + 1485 15 -1.938000 4.034000 42.105000 97 " " T A 2 "THR " " O " 8 0 2 1 1485 36.32 + 1486 3 -3.860000 5.881000 43.395000 97 " " T A 2 "THR " " CB " 6 0 2 1 1486 36.32 + 1487 16 -5.129000 6.362000 43.795000 97 " " T A 2 "THR " " OG1" 8 0 2 1 1487 36.32 + 1488 3 -2.867000 7.053000 43.511000 97 " " T A 2 "THR " " CG2" 6 0 2 1 1488 36.32 + 1489 43 -4.662000 3.383000 42.700000 97 " " T A 2 "THR " " H " 1 0 2 1 1489 6.82 + 1490 41 -4.396000 6.029000 41.317000 97 " " T A 2 "THR " " HA " 1 0 2 1 1490 6.82 + 1491 41 -3.570000 5.114000 44.114000 97 " " T A 2 "THR " " HB " 1 0 2 1 1491 36.32 + 1492 42 -5.750000 5.628000 43.796000 97 " " T A 2 "THR " " HG1" 1 0 2 1 1492 36.32 + 1493 41 -2.908000 7.499000 44.505000 97 " " T A 2 "THR " "HG21" 1 0 2 1 1493 36.32 + 1494 41 -1.839000 6.733000 43.353000 97 " " T A 2 "THR " "HG22" 1 0 2 1 1494 36.32 + 1495 41 -3.089000 7.835000 42.786000 97 " " T A 2 "THR " "HG23" 1 0 2 1 1495 36.32 + 1496 25 -2.214000 5.464000 40.346000 98 " " F A 2 "PHE " " N " 7 0 2 1 1496 16.25 + 1497 3 -0.836000 5.474000 39.866000 98 " " F A 2 "PHE " " CA " 6 0 2 1 1497 16.25 + 1498 2 0.017000 6.407000 40.742000 98 " " F A 2 "PHE " " C " 6 0 2 1 1498 16.25 + 1499 15 -0.460000 7.473000 41.135000 98 " " F A 2 "PHE " " O " 8 0 2 1 1499 2.48 + 1500 3 -0.776000 5.945000 38.396000 98 " " F A 2 "PHE " " CB " 6 0 2 1 1500 2.48 + 1501 2 -1.385000 5.014000 37.360000 98 " " F A 2 "PHE " " CG " 6 0 2 1 1501 2.48 + 1502 2 -0.666000 3.888000 36.905000 98 " " F A 2 "PHE " " CD1" 6 0 2 1 1502 2.48 + 1503 2 -2.714000 5.200000 36.922000 98 " " F A 2 "PHE " " CD2" 6 0 2 1 1503 2.48 + 1504 2 -1.247000 3.015000 35.992000 98 " " F A 2 "PHE " " CE1" 6 0 2 1 1504 2.48 + 1505 2 -3.274000 4.320000 36.005000 98 " " F A 2 "PHE " " CE2" 6 0 2 1 1505 2.48 + 1506 2 -2.543000 3.234000 35.541000 98 " " F A 2 "PHE " " CZ " 6 0 2 1 1506 2.48 + 1507 43 -2.845000 6.099000 39.878000 98 " " F A 2 "PHE " " H " 1 0 2 1 1507 16.25 + 1508 41 -0.442000 4.463000 39.923000 98 " " F A 2 "PHE " " HA " 1 0 2 1 1508 16.25 + 1509 41 0.267000 6.098000 38.109000 98 " " F A 2 "PHE " " HB3" 1 0 2 1 1509 2.48 + 1510 41 -1.248000 6.924000 38.305000 98 " " F A 2 "PHE " " HB2" 1 0 2 1 1510 2.48 + 1511 41 0.340000 3.709000 37.255000 98 " " F A 2 "PHE " " HD1" 1 0 2 1 1511 2.48 + 1512 41 -3.293000 6.037000 37.284000 98 " " F A 2 "PHE " " HD2" 1 0 2 1 1512 2.48 + 1513 41 -0.689000 2.162000 35.635000 98 " " F A 2 "PHE " " HE1" 1 0 2 1 1513 2.48 + 1514 41 -4.283000 4.477000 35.655000 98 " " F A 2 "PHE " " HE2" 1 0 2 1 1514 2.48 + 1515 41 -2.988000 2.551000 34.833000 98 " " F A 2 "PHE " " HZ " 1 0 2 1 1515 2.48 + 1516 25 1.281000 6.024000 40.973000 99 " " G A 2 "GLY " " N " 7 0 0 1 1516 9.71 + 1517 3 2.302000 6.900000 41.545000 99 " " G A 2 "GLY " " CA " 6 0 0 1 1517 9.71 + 1518 2 2.720000 7.964000 40.516000 99 " " G A 2 "GLY " " C " 6 0 0 1 1518 9.71 + 1519 15 2.373000 7.881000 39.335000 99 " " G A 2 "GLY " " O " 8 0 0 1 1519 28.16 + 1520 43 1.593000 5.129000 40.615000 99 " " G A 2 "GLY " " H " 1 0 0 1 1520 9.71 + 1521 41 3.166000 6.302000 41.824000 99 " " G A 2 "GLY " " HA3" 1 0 0 1 1521 9.71 + 1522 41 1.933000 7.381000 42.452000 99 " " G A 2 "GLY " " HA2" 1 0 0 1 1522 9.71 + 1523 25 3.484000 8.969000 40.975000 100 " " G A 2 "GLY " " N " 7 0 0 1 1523 19.73 + 1524 3 3.910000 10.123000 40.173000 100 " " G A 2 "GLY " " CA " 6 0 0 1 1524 19.73 + 1525 2 4.881000 9.776000 39.028000 100 " " G A 2 "GLY " " C " 6 0 0 1 1525 19.73 + 1526 15 5.072000 10.599000 38.134000 100 " " G A 2 "GLY " " O " 8 0 0 1 1526 14.03 + 1527 43 3.744000 8.978000 41.950000 100 " " G A 2 "GLY " " H " 1 0 0 1 1527 19.73 + 1528 41 4.399000 10.840000 40.833000 100 " " G A 2 "GLY " " HA3" 1 0 0 1 1528 19.73 + 1529 41 3.032000 10.623000 39.761000 100 " " G A 2 "GLY " " HA2" 1 0 0 1 1529 19.73 + 1530 25 5.472000 8.571000 39.041000 101 " " G A 2 "GLY " " N " 7 0 0 1 1530 44.17 + 1531 3 6.380000 8.070000 38.018000 101 " " G A 2 "GLY " " CA " 6 0 0 1 1531 44.17 + 1532 2 7.833000 8.466000 38.324000 101 " " G A 2 "GLY " " C " 6 0 0 1 1532 44.17 + 1533 15 8.091000 9.462000 39.001000 101 " " G A 2 "GLY " " O " 8 0 0 1 1533 22.55 + 1534 43 5.259000 7.936000 39.798000 101 " " G A 2 "GLY " " H " 1 0 0 1 1534 44.17 + 1535 41 6.103000 8.432000 37.027000 101 " " G A 2 "GLY " " HA3" 1 0 0 1 1535 44.17 + 1536 41 6.261000 6.993000 38.005000 101 " " G A 2 "GLY " " HA2" 1 0 0 1 1536 44.17 + 1537 25 8.783000 7.689000 37.780000 102 " " T A 2 "THR " " N " 7 0 2 1 1537 14.18 + 1538 3 10.215000 8.000000 37.749000 102 " " T A 2 "THR " " CA " 6 0 2 1 1538 14.18 + 1539 2 10.749000 7.748000 36.341000 102 " " T A 2 "THR " " C " 6 0 2 1 1539 14.18 + 1540 15 10.428000 6.704000 35.778000 102 " " T A 2 "THR " " O " 8 0 2 1 1540 7.54 + 1541 3 11.083000 7.174000 38.750000 102 " " T A 2 "THR " " CB " 6 0 2 1 1541 7.54 + 1542 16 11.709000 6.004000 38.255000 102 " " T A 2 "THR " " OG1" 8 0 2 1 1542 7.54 + 1543 3 10.389000 6.837000 40.066000 102 " " T A 2 "THR " " CG2" 6 0 2 1 1543 7.54 + 1544 43 8.505000 6.867000 37.258000 102 " " T A 2 "THR " " H " 1 0 2 1 1544 14.18 + 1545 41 10.354000 9.054000 37.979000 102 " " T A 2 "THR " " HA " 1 0 2 1 1545 14.18 + 1546 41 11.934000 7.811000 38.984000 102 " " T A 2 "THR " " HB " 1 0 2 1 1546 7.54 + 1547 42 11.028000 5.388000 37.978000 102 " " T A 2 "THR " " HG1" 1 0 2 1 1547 7.54 + 1548 41 11.124000 6.600000 40.834000 102 " " T A 2 "THR " "HG21" 1 0 2 1 1548 7.54 + 1549 41 9.787000 7.667000 40.430000 102 " " T A 2 "THR " "HG22" 1 0 2 1 1549 7.54 + 1550 41 9.734000 5.985000 39.934000 102 " " T A 2 "THR " "HG23" 1 0 2 1 1550 7.54 + 1551 25 11.585000 8.661000 35.828000 103 " " K A 2 "LYS " " N " 7 0 2 1 1551 15.5 + 1552 3 12.219000 8.502000 34.525000 103 " " K A 2 "LYS " " CA " 6 0 2 1 1552 15.5 + 1553 2 13.708000 8.181000 34.711000 103 " " K A 2 "LYS " " C " 6 0 2 1 1553 15.5 + 1554 15 14.475000 9.043000 35.143000 103 " " K A 2 "LYS " " O " 8 0 2 1 1554 39.52 + 1555 3 11.965000 9.760000 33.675000 103 " " K A 2 "LYS " " CB " 6 0 2 1 1555 39.52 + 1556 3 12.289000 9.543000 32.187000 103 " " K A 2 "LYS " " CG " 6 0 2 1 1556 39.52 + 1557 3 11.760000 10.671000 31.290000 103 " " K A 2 "LYS " " CD " 6 0 2 1 1557 39.52 + 1558 3 11.866000 10.312000 29.802000 103 " " K A 2 "LYS " " CE " 6 0 2 1 1558 39.52 + 1559 32 11.337000 11.379000 28.936000 103 " " K A 2 "LYS " " NZ " 7 1 2 1 1559 39.52 + 1560 43 11.812000 9.496000 36.350000 103 " " K A 2 "LYS " " H " 1 0 2 1 1560 15.5 + 1561 41 11.770000 7.669000 33.985000 103 " " K A 2 "LYS " " HA " 1 0 2 1 1561 15.5 + 1562 41 12.500000 10.625000 34.069000 103 " " K A 2 "LYS " " HB3" 1 0 2 1 1562 39.52 + 1563 41 10.903000 10.002000 33.747000 103 " " K A 2 "LYS " " HB2" 1 0 2 1 1563 39.52 + 1564 41 11.852000 8.597000 31.860000 103 " " K A 2 "LYS " " HG3" 1 0 2 1 1564 39.52 + 1565 41 13.366000 9.440000 32.051000 103 " " K A 2 "LYS " " HG2" 1 0 2 1 1565 39.52 + 1566 41 12.322000 11.585000 31.491000 103 " " K A 2 "LYS " " HD3" 1 0 2 1 1566 39.52 + 1567 41 10.721000 10.886000 31.541000 103 " " K A 2 "LYS " " HD2" 1 0 2 1 1567 39.52 + 1568 41 11.312000 9.396000 29.592000 103 " " K A 2 "LYS " " HE3" 1 0 2 1 1568 39.52 + 1569 41 12.906000 10.125000 29.531000 103 " " K A 2 "LYS " " HE2" 1 0 2 1 1569 39.52 + 1570 44 11.852000 12.233000 29.088000 103 " " K A 2 "LYS " " HZ1" 1 0 2 1 1570 39.52 + 1571 44 11.452000 11.085000 27.971000 103 " " K A 2 "LYS " " HZ2" 1 0 2 1 1571 39.52 + 1572 44 10.358000 11.528000 29.129000 103 " " K A 2 "LYS " " HZ3" 1 0 2 1 1572 39.52 + 1573 25 14.073000 6.937000 34.365000 104 " " L A 2 "LEU " " N " 7 0 2 1 1573 2.48 + 1574 3 15.452000 6.455000 34.308000 104 " " L A 2 "LEU " " CA " 6 0 2 1 1574 2.48 + 1575 2 16.124000 6.981000 33.034000 104 " " L A 2 "LEU " " C " 6 0 2 1 1575 2.48 + 1576 15 15.569000 6.810000 31.949000 104 " " L A 2 "LEU " " O " 8 0 2 1 1576 10.53 + 1577 3 15.454000 4.908000 34.318000 104 " " L A 2 "LEU " " CB " 6 0 2 1 1577 10.53 + 1578 3 16.054000 4.279000 35.589000 104 " " L A 2 "LEU " " CG " 6 0 2 1 1578 10.53 + 1579 3 15.709000 2.776000 35.649000 104 " " L A 2 "LEU " " CD1" 6 0 2 1 1579 10.53 + 1580 3 17.573000 4.539000 35.700000 104 " " L A 2 "LEU " " CD2" 6 0 2 1 1580 10.53 + 1581 43 13.372000 6.300000 34.012000 104 " " L A 2 "LEU " " H " 1 0 2 1 1581 2.48 + 1582 41 15.983000 6.826000 35.185000 104 " " L A 2 "LEU " " HA " 1 0 2 1 1582 2.48 + 1583 41 15.971000 4.495000 33.448000 104 " " L A 2 "LEU " " HB3" 1 0 2 1 1583 10.53 + 1584 41 14.426000 4.568000 34.213000 104 " " L A 2 "LEU " " HB2" 1 0 2 1 1584 10.53 + 1585 41 15.577000 4.746000 36.453000 104 " " L A 2 "LEU " " HG " 1 0 2 1 1585 10.53 + 1586 41 16.569000 2.148000 35.857000 104 " " L A 2 "LEU " "HD11" 1 0 2 1 1586 10.53 + 1587 41 14.971000 2.581000 36.428000 104 " " L A 2 "LEU " "HD12" 1 0 2 1 1587 10.53 + 1588 41 15.296000 2.410000 34.710000 104 " " L A 2 "LEU " "HD13" 1 0 2 1 1588 10.53 + 1589 41 18.129000 3.654000 36.003000 104 " " L A 2 "LEU " "HD21" 1 0 2 1 1589 10.53 + 1590 41 18.000000 4.883000 34.757000 104 " " L A 2 "LEU " "HD22" 1 0 2 1 1590 10.53 + 1591 41 17.785000 5.305000 36.444000 104 " " L A 2 "LEU " "HD23" 1 0 2 1 1591 10.53 + 1592 25 17.316000 7.567000 33.205000 105 " " E A 2 "GLU " " N " 7 0 2 1 1592 11.57 + 1593 3 18.226000 7.972000 32.136000 105 " " E A 2 "GLU " " CA " 6 0 2 1 1593 11.57 + 1594 2 19.527000 7.191000 32.369000 105 " " E A 2 "GLU " " C " 6 0 2 1 1594 11.57 + 1595 15 19.994000 7.119000 33.506000 105 " " E A 2 "GLU " " O " 8 0 2 1 1595 60.64 + 1596 3 18.394000 9.507000 32.189000 105 " " E A 2 "GLU " " CB " 6 0 2 1 1596 60.64 + 1597 3 18.975000 10.178000 30.920000 105 " " E A 2 "GLU " " CG " 6 0 2 1 1597 60.64 + 1598 2 20.497000 10.379000 30.854000 105 " " E A 2 "GLU " " CD " 6 0 2 1 1598 60.64 + 1599 15 21.246000 9.551000 31.410000 105 " " E A 2 "GLU " " OE1" 8 0 2 1 1599 60.64 + 1600 18 20.902000 11.371000 30.210000 105 " " E A 2 "GLU " " OE2" 8 -1 2 1 1600 60.64 + 1601 43 17.680000 7.675000 34.143000 105 " " E A 2 "GLU " " H " 1 0 2 1 1601 11.57 + 1602 41 17.812000 7.713000 31.165000 105 " " E A 2 "GLU " " HA " 1 0 2 1 1602 11.57 + 1603 41 18.995000 9.767000 33.059000 105 " " E A 2 "GLU " " HB3" 1 0 2 1 1603 60.64 + 1604 41 17.419000 9.957000 32.382000 105 " " E A 2 "GLU " " HB2" 1 0 2 1 1604 60.64 + 1605 41 18.526000 11.169000 30.836000 105 " " E A 2 "GLU " " HG3" 1 0 2 1 1605 60.64 + 1606 41 18.652000 9.636000 30.031000 105 " " E A 2 "GLU " " HG2" 1 0 2 1 1606 60.64 + 1607 25 20.078000 6.592000 31.304000 106 " " I A 2 "ILE " " N " 7 0 2 1 1607 2.48 + 1608 3 21.269000 5.749000 31.404000 106 " " I A 2 "ILE " " CA " 6 0 2 1 1608 2.48 + 1609 2 22.546000 6.578000 31.163000 106 " " I A 2 "ILE " " C " 6 0 2 1 1609 2.48 + 1610 15 22.772000 7.023000 30.038000 106 " " I A 2 "ILE " " O " 8 0 2 1 1610 2.48 + 1611 3 21.233000 4.569000 30.392000 106 " " I A 2 "ILE " " CB " 6 0 2 1 1611 2.48 + 1612 3 19.918000 3.761000 30.481000 106 " " I A 2 "ILE " " CG1" 6 0 2 1 1612 2.48 + 1613 3 22.461000 3.641000 30.483000 106 " " I A 2 "ILE " " CG2" 6 0 2 1 1613 2.48 + 1614 3 19.589000 3.191000 31.863000 106 " " I A 2 "ILE " " CD1" 6 0 2 1 1614 2.48 + 1615 43 19.662000 6.687000 30.389000 106 " " I A 2 "ILE " " H " 1 0 2 1 1615 2.48 + 1616 41 21.308000 5.305000 32.393000 106 " " I A 2 "ILE " " HA " 1 0 2 1 1616 2.48 + 1617 41 21.260000 4.985000 29.389000 106 " " I A 2 "ILE " " HB " 1 0 2 1 1617 2.48 + 1618 41 19.917000 2.959000 29.742000 106 " " I A 2 "ILE " "HG13" 1 0 2 1 1618 2.48 + 1619 41 19.097000 4.416000 30.204000 106 " " I A 2 "ILE " "HG12" 1 0 2 1 1619 2.48 + 1620 41 22.353000 2.811000 29.787000 106 " " I A 2 "ILE " "HG21" 1 0 2 1 1620 2.48 + 1621 41 23.385000 4.151000 30.212000 106 " " I A 2 "ILE " "HG22" 1 0 2 1 1621 2.48 + 1622 41 22.592000 3.229000 31.483000 106 " " I A 2 "ILE " "HG23" 1 0 2 1 1622 2.48 + 1623 41 18.898000 2.352000 31.784000 106 " " I A 2 "ILE " "HD11" 1 0 2 1 1623 2.48 + 1624 41 20.491000 2.837000 32.350000 106 " " I A 2 "ILE " "HD12" 1 0 2 1 1624 2.48 + 1625 41 19.129000 3.941000 32.507000 106 " " I A 2 "ILE " "HD13" 1 0 2 1 1625 2.48 + 1626 25 23.385000 6.736000 32.203000 107 " " N A 2 "ASN " " N " 7 0 2 1 1626 11.39 + 1627 3 24.743000 7.279000 32.064000 107 " " N A 2 "ASN " " CA " 6 0 2 1 1627 11.39 + 1628 2 25.624000 6.323000 31.253000 107 " " N A 2 "ASN " " C " 6 0 2 1 1628 11.39 + 1629 15 25.627000 5.115000 31.485000 107 " " N A 2 "ASN " " O " 8 0 2 1 1629 82.18 + 1630 3 25.365000 7.590000 33.448000 107 " " N A 2 "ASN " " CB " 6 0 2 1 1630 82.18 + 1631 2 25.302000 9.074000 33.814000 107 " " N A 2 "ASN " " CG " 6 0 2 1 1631 82.18 + 1632 15 25.774000 9.919000 33.056000 107 " " N A 2 "ASN " " OD1" 8 0 2 1 1632 82.18 + 1633 25 24.776000 9.396000 34.996000 107 " " N A 2 "ASN " " ND2" 7 0 2 1 1633 82.18 + 1634 43 23.144000 6.334000 33.100000 107 " " N A 2 "ASN " " H " 1 0 2 1 1634 11.39 + 1635 41 24.606000 8.205000 31.511000 107 " " N A 2 "ASN " " HA " 1 0 2 1 1635 11.39 + 1636 41 26.431000 7.358000 33.439000 107 " " N A 2 "ASN " " HB3" 1 0 2 1 1636 82.18 + 1637 41 24.939000 6.967000 34.232000 107 " " N A 2 "ASN " " HB2" 1 0 2 1 1637 82.18 + 1638 43 24.738000 10.363000 35.283000 107 " " N A 2 "ASN " "HD22" 1 0 2 1 1638 82.18 + 1639 43 24.417000 8.680000 35.611000 107 " " N A 2 "ASN " "HD21" 1 0 2 1 1639 82.18 + 1640 25 26.352000 6.902000 30.295000 108 " " R A 2 "ARG " " N " 7 0 0 1 1640 55.92 + 1641 3 27.170000 6.160000 29.345000 108 " " R A 2 "ARG " " CA " 6 0 0 1 1641 55.92 + 1642 2 28.247000 7.089000 28.760000 108 " " R A 2 "ARG " " C " 6 0 0 1 1642 55.92 + 1643 15 28.096000 8.309000 28.804000 108 " " R A 2 "ARG " " O " 8 0 0 1 1643 23.42 + 1644 3 26.229000 5.400000 28.355000 108 " " R A 2 "ARG " " CB " 6 0 0 1 1644 23.42 + 1645 3 26.584000 5.430000 26.863000 108 " " R A 2 "ARG " " CG " 6 0 0 1 1645 23.42 + 1646 3 25.967000 6.631000 26.131000 108 " " R A 2 "ARG " " CD " 6 0 0 1 1646 23.42 + 1647 25 26.708000 6.992000 24.919000 108 " " R A 2 "ARG " " NE " 7 0 0 1 1647 23.42 + 1648 2 27.222000 6.189000 23.970000 108 " " R A 2 "ARG " " CZ " 6 0 0 1 1648 23.42 + 1649 25 26.964000 4.880000 23.899000 108 " " R A 2 "ARG " " NH1" 7 0 0 1 1649 23.42 + 1650 31 28.040000 6.717000 23.059000 108 " " R A 2 "ARG " " NH2" 7 1 0 1 1650 23.42 + 1651 43 26.320000 7.904000 30.163000 108 " " R A 2 "ARG " " H " 1 0 0 1 1651 55.92 + 1652 41 27.720000 5.409000 29.917000 108 " " R A 2 "ARG " " HA " 1 0 0 1 1652 55.92 + 1653 41 25.193000 5.728000 28.461000 108 " " R A 2 "ARG " " HB3" 1 0 0 1 1653 23.42 + 1654 41 26.213000 4.359000 28.678000 108 " " R A 2 "ARG " " HB2" 1 0 0 1 1654 23.42 + 1655 41 26.087000 4.551000 26.450000 108 " " R A 2 "ARG " " HG3" 1 0 0 1 1655 23.42 + 1656 41 27.642000 5.275000 26.655000 108 " " R A 2 "ARG " " HG2" 1 0 0 1 1656 23.42 + 1657 41 25.803000 7.487000 26.785000 108 " " R A 2 "ARG " " HD3" 1 0 0 1 1657 23.42 + 1658 41 24.989000 6.329000 25.763000 108 " " R A 2 "ARG " " HD2" 1 0 0 1 1658 23.42 + 1659 43 26.976000 7.964000 24.883000 108 " " R A 2 "ARG " " HE " 1 0 0 1 1659 23.42 + 1660 43 27.381000 4.308000 23.180000 108 " " R A 2 "ARG " "HH12" 1 0 0 1 1660 23.42 + 1661 43 26.259000 4.475000 24.502000 108 " " R A 2 "ARG " "HH11" 1 0 0 1 1661 23.42 + 1662 44 28.439000 6.141000 22.332000 108 " " R A 2 "ARG " "HH22" 1 0 0 1 1662 23.42 + 1663 44 28.306000 7.689000 23.121000 108 " " R A 2 "ARG " "HH21" 1 0 0 1 1663 23.42 + 1664 25 29.337000 6.484000 28.258000 109 " " A A 2 "ALA " " N " 7 0 0 1 1664 9.91 + 1665 3 30.500000 7.155000 27.665000 109 " " A A 2 "ALA " " CA " 6 0 0 1 1665 9.91 + 1666 2 30.130000 8.108000 26.517000 109 " " A A 2 "ALA " " C " 6 0 0 1 1666 9.91 + 1667 15 29.310000 7.738000 25.682000 109 " " A A 2 "ALA " " O " 8 0 0 1 1667 2.48 + 1668 3 31.468000 6.074000 27.159000 109 " " A A 2 "ALA " " CB " 6 0 0 1 1668 2.48 + 1669 43 29.381000 5.476000 28.269000 109 " " A A 2 "ALA " " H " 1 0 0 1 1669 9.91 + 1670 41 30.991000 7.727000 28.455000 109 " " A A 2 "ALA " " HA " 1 0 0 1 1670 9.91 + 1671 41 32.360000 6.519000 26.718000 109 " " A A 2 "ALA " " HB1" 1 0 0 1 1671 2.48 + 1672 41 31.795000 5.429000 27.974000 109 " " A A 2 "ALA " " HB2" 1 0 0 1 1672 2.48 + 1673 41 31.003000 5.442000 26.400000 109 " " A A 2 "ALA " " HB3" 1 0 0 1 1673 2.48 + 1674 25 30.741000 9.305000 26.490000 110 " " D A 2 "ASP " " N " 7 0 0 1 1674 7.75 + 1675 3 30.452000 10.373000 25.519000 110 " " D A 2 "ASP " " CA " 6 0 0 1 1675 7.75 + 1676 2 30.590000 9.947000 24.044000 110 " " D A 2 "ASP " " C " 6 0 0 1 1676 7.75 + 1677 15 31.387000 9.064000 23.723000 110 " " D A 2 "ASP " " O " 8 0 0 1 1677 58.15 + 1678 3 31.264000 11.672000 25.755000 110 " " D A 2 "ASP " " CB " 6 0 0 1 1678 58.15 + 1679 2 31.157000 12.315000 27.142000 110 " " D A 2 "ASP " " CG " 6 0 0 1 1679 58.15 + 1680 15 30.404000 11.794000 27.995000 110 " " D A 2 "ASP " " OD1" 8 0 0 1 1680 58.15 + 1681 18 31.813000 13.366000 27.309000 110 " " D A 2 "ASP " " OD2" 8 -1 0 1 1681 58.15 + 1682 43 31.388000 9.550000 27.225000 110 " " D A 2 "ASP " " H " 1 0 0 1 1682 7.75 + 1683 41 29.401000 10.620000 25.675000 110 " " D A 2 "ASP " " HA " 1 0 0 1 1683 7.75 + 1684 41 30.921000 12.421000 25.043000 110 " " D A 2 "ASP " " HB3" 1 0 0 1 1684 58.15 + 1685 41 32.318000 11.471000 25.557000 110 " " D A 2 "ASP " " HB2" 1 0 0 1 1685 58.15 + 1686 25 29.806000 10.608000 23.178000 111 " " A A 2 "ALA " " N " 7 0 0 1 1686 52.87 + 1687 3 29.811000 10.403000 21.732000 111 " " A A 2 "ALA " " CA " 6 0 0 1 1687 52.87 + 1688 2 29.545000 11.715000 20.999000 111 " " A A 2 "ALA " " C " 6 0 0 1 1688 52.87 + 1689 15 28.713000 12.510000 21.435000 111 " " A A 2 "ALA " " O " 8 0 0 1 1689 12.25 + 1690 3 28.774000 9.347000 21.330000 111 " " A A 2 "ALA " " CB " 6 0 0 1 1690 12.25 + 1691 43 29.200000 11.345000 23.517000 111 " " A A 2 "ALA " " H " 1 0 0 1 1691 52.87 + 1692 41 30.798000 10.054000 21.421000 111 " " A A 2 "ALA " " HA " 1 0 0 1 1692 52.87 + 1693 41 28.516000 9.415000 20.272000 111 " " A A 2 "ALA " " HB1" 1 0 0 1 1693 12.25 + 1694 41 29.187000 8.353000 21.480000 111 " " A A 2 "ALA " " HB2" 1 0 0 1 1694 12.25 + 1695 41 27.847000 9.441000 21.899000 111 " " A A 2 "ALA " " HB3" 1 0 0 1 1695 12.25 + 1696 25 30.267000 11.898000 19.885000 112 " " A A 2 "ALA " " N " 7 0 0 1 1696 27.47 + 1697 3 30.136000 13.047000 19.000000 112 " " A A 2 "ALA " " CA " 6 0 0 1 1697 27.47 + 1698 2 28.954000 12.844000 18.035000 112 " " A A 2 "ALA " " C " 6 0 0 1 1698 27.47 + 1699 15 28.789000 11.729000 17.534000 112 " " A A 2 "ALA " " O " 8 0 0 1 1699 5.93 + 1700 3 31.447000 13.184000 18.210000 112 " " A A 2 "ALA " " CB " 6 0 0 1 1700 5.93 + 1701 43 30.919000 11.186000 19.591000 112 " " A A 2 "ALA " " H " 1 0 0 1 1701 27.47 + 1702 41 29.998000 13.924000 19.628000 112 " " A A 2 "ALA " " HA " 1 0 0 1 1702 27.47 + 1703 41 31.422000 14.062000 17.563000 112 " " A A 2 "ALA " " HB1" 1 0 0 1 1703 5.93 + 1704 41 32.301000 13.297000 18.878000 112 " " A A 2 "ALA " " HB2" 1 0 0 1 1704 5.93 + 1705 41 31.632000 12.313000 17.579000 112 " " A A 2 "ALA " " HB3" 1 0 0 1 1705 5.93 + 1706 25 28.166000 13.913000 17.768000 113 " " P A 2 "PRO " " N " 7 0 0 1 1706 19.31 + 1707 3 27.096000 13.861000 16.760000 113 " " P A 2 "PRO " " CA " 6 0 0 1 1707 19.31 + 1708 2 27.661000 13.665000 15.349000 113 " " P A 2 "PRO " " C " 6 0 0 1 1708 19.31 + 1709 15 28.564000 14.401000 14.946000 113 " " P A 2 "PRO " " O " 8 0 0 1 1709 8 + 1710 3 26.395000 15.226000 16.883000 113 " " P A 2 "PRO " " CB " 6 0 0 1 1710 8 + 1711 3 27.477000 16.159000 17.399000 113 " " P A 2 "PRO " " CG " 6 0 0 1 1711 8 + 1712 3 28.293000 15.264000 18.322000 113 " " P A 2 "PRO " " CD " 6 0 0 1 1712 8 + 1713 41 26.396000 13.056000 16.987000 113 " " P A 2 "PRO " " HA " 1 0 0 1 1713 19.31 + 1714 41 25.581000 15.171000 17.604000 113 " " P A 2 "PRO " " HB3" 1 0 0 1 1714 8 + 1715 41 25.962000 15.580000 15.946000 113 " " P A 2 "PRO " " HB2" 1 0 0 1 1715 8 + 1716 41 27.090000 17.047000 17.892000 113 " " P A 2 "PRO " " HG3" 1 0 0 1 1716 8 + 1717 41 28.099000 16.491000 16.567000 113 " " P A 2 "PRO " " HG2" 1 0 0 1 1717 8 + 1718 41 29.322000 15.620000 18.384000 113 " " P A 2 "PRO " " HD2" 1 0 0 1 1718 8 + 1719 41 27.857000 15.264000 19.318000 113 " " P A 2 "PRO " " HD3" 1 0 0 1 1719 8 + 1720 25 27.093000 12.695000 14.624000 114 " " T A 2 "THR " " N " 7 0 2 1 1720 2.48 + 1721 3 27.277000 12.585000 13.184000 114 " " T A 2 "THR " " CA " 6 0 2 1 1721 2.48 + 1722 2 26.231000 13.516000 12.532000 114 " " T A 2 "THR " " C " 6 0 2 1 1722 2.48 + 1723 15 25.029000 13.247000 12.594000 114 " " T A 2 "THR " " O " 8 0 2 1 1723 4.97 + 1724 3 27.200000 11.109000 12.686000 114 " " T A 2 "THR " " CB " 6 0 2 1 1724 4.97 + 1725 16 25.904000 10.592000 12.457000 114 " " T A 2 "THR " " OG1" 8 0 2 1 1725 4.97 + 1726 3 27.999000 10.122000 13.552000 114 " " T A 2 "THR " " CG2" 6 0 2 1 1726 4.97 + 1727 43 26.365000 12.122000 15.031000 114 " " T A 2 "THR " " H " 1 0 2 1 1727 2.48 + 1728 41 28.273000 12.943000 12.918000 114 " " T A 2 "THR " " HA " 1 0 2 1 1728 2.48 + 1729 41 27.675000 11.095000 11.708000 114 " " T A 2 "THR " " HB " 1 0 2 1 1729 4.97 + 1730 42 25.437000 10.559000 13.295000 114 " " T A 2 "THR " " HG1" 1 0 2 1 1730 4.97 + 1731 41 28.019000 9.130000 13.098000 114 " " T A 2 "THR " "HG21" 1 0 2 1 1731 4.97 + 1732 41 29.032000 10.450000 13.667000 114 " " T A 2 "THR " "HG22" 1 0 2 1 1732 4.97 + 1733 41 27.569000 10.018000 14.549000 114 " " T A 2 "THR " "HG23" 1 0 2 1 1733 4.97 + 1734 25 26.714000 14.663000 12.025000 115 " " V A 2 "VAL " " N " 7 0 2 1 1734 7.29 + 1735 3 25.866000 15.741000 11.519000 115 " " V A 2 "VAL " " CA " 6 0 2 1 1735 7.29 + 1736 2 25.628000 15.595000 10.008000 115 " " V A 2 "VAL " " C " 6 0 2 1 1736 7.29 + 1737 15 26.573000 15.369000 9.259000 115 " " V A 2 "VAL " " O " 8 0 2 1 1737 27.44 + 1738 3 26.462000 17.147000 11.811000 115 " " V A 2 "VAL " " CB " 6 0 2 1 1738 27.44 + 1739 3 25.640000 18.314000 11.221000 115 " " V A 2 "VAL " " CG1" 6 0 2 1 1739 27.44 + 1740 3 26.600000 17.360000 13.330000 115 " " V A 2 "VAL " " CG2" 6 0 2 1 1740 27.44 + 1741 43 27.707000 14.842000 12.037000 115 " " V A 2 "VAL " " H " 1 0 2 1 1741 7.29 + 1742 41 24.916000 15.688000 12.040000 115 " " V A 2 "VAL " " HA " 1 0 2 1 1742 7.29 + 1743 41 27.464000 17.204000 11.381000 115 " " V A 2 "VAL " " HB " 1 0 2 1 1743 27.44 + 1744 41 26.046000 19.279000 11.526000 115 " " V A 2 "VAL " "HG11" 1 0 2 1 1744 27.44 + 1745 41 25.625000 18.310000 10.132000 115 " " V A 2 "VAL " "HG12" 1 0 2 1 1745 27.44 + 1746 41 24.606000 18.270000 11.564000 115 " " V A 2 "VAL " "HG13" 1 0 2 1 1746 27.44 + 1747 41 26.948000 18.365000 13.568000 115 " " V A 2 "VAL " "HG21" 1 0 2 1 1747 27.44 + 1748 41 25.646000 17.219000 13.835000 115 " " V A 2 "VAL " "HG22" 1 0 2 1 1748 27.44 + 1749 41 27.302000 16.653000 13.771000 115 " " V A 2 "VAL " "HG23" 1 0 2 1 1749 27.44 + 1750 25 24.373000 15.771000 9.586000 116 " " S A 2 "SER " " N " 7 0 2 1 1750 2.48 + 1751 3 23.965000 15.756000 8.184000 116 " " S A 2 "SER " " CA " 6 0 2 1 1751 2.48 + 1752 2 23.167000 17.032000 7.908000 116 " " S A 2 "SER " " C " 6 0 2 1 1752 2.48 + 1753 15 22.442000 17.478000 8.793000 116 " " S A 2 "SER " " O " 8 0 2 1 1753 17.76 + 1754 3 23.111000 14.501000 7.936000 116 " " S A 2 "SER " " CB " 6 0 2 1 1754 17.76 + 1755 16 23.897000 13.338000 8.081000 116 " " S A 2 "SER " " OG " 8 0 2 1 1755 17.76 + 1756 43 23.644000 15.979000 10.258000 116 " " S A 2 "SER " " H " 1 0 2 1 1756 2.48 + 1757 41 24.827000 15.744000 7.515000 116 " " S A 2 "SER " " HA " 1 0 2 1 1757 2.48 + 1758 41 22.715000 14.505000 6.920000 116 " " S A 2 "SER " " HB3" 1 0 2 1 1758 17.76 + 1759 41 22.266000 14.448000 8.621000 116 " " S A 2 "SER " " HB2" 1 0 2 1 1759 17.76 + 1760 42 24.094000 13.220000 9.014000 116 " " S A 2 "SER " " HG " 1 0 2 1 1760 17.76 + 1761 25 23.304000 17.584000 6.692000 117 " " I A 2 "ILE " " N " 7 0 2 1 1761 25.66 + 1762 3 22.586000 18.778000 6.248000 117 " " I A 2 "ILE " " CA " 6 0 2 1 1762 25.66 + 1763 2 21.904000 18.497000 4.897000 117 " " I A 2 "ILE " " C " 6 0 2 1 1763 25.66 + 1764 15 22.485000 17.841000 4.031000 117 " " I A 2 "ILE " " O " 8 0 2 1 1764 26.26 + 1765 3 23.516000 20.025000 6.148000 117 " " I A 2 "ILE " " CB " 6 0 2 1 1765 26.26 + 1766 3 22.711000 21.324000 5.893000 117 " " I A 2 "ILE " " CG1" 6 0 2 1 1766 26.26 + 1767 3 24.671000 19.869000 5.134000 117 " " I A 2 "ILE " " CG2" 6 0 2 1 1767 26.26 + 1768 3 23.475000 22.618000 6.201000 117 " " I A 2 "ILE " " CD1" 6 0 2 1 1768 26.26 + 1769 43 23.898000 17.150000 6.001000 117 " " I A 2 "ILE " " H " 1 0 2 1 1769 25.66 + 1770 41 21.801000 19.008000 6.968000 117 " " I A 2 "ILE " " HA " 1 0 2 1 1770 25.66 + 1771 41 23.977000 20.132000 7.131000 117 " " I A 2 "ILE " " HB " 1 0 2 1 1771 26.26 + 1772 41 21.814000 21.318000 6.514000 117 " " I A 2 "ILE " "HG13" 1 0 2 1 1772 26.26 + 1773 41 22.353000 21.350000 4.864000 117 " " I A 2 "ILE " "HG12" 1 0 2 1 1773 26.26 + 1774 41 25.402000 20.670000 5.242000 117 " " I A 2 "ILE " "HG21" 1 0 2 1 1774 26.26 + 1775 41 25.211000 18.934000 5.284000 117 " " I A 2 "ILE " "HG22" 1 0 2 1 1775 26.26 + 1776 41 24.318000 19.891000 4.104000 117 " " I A 2 "ILE " "HG23" 1 0 2 1 1776 26.26 + 1777 41 22.882000 23.489000 5.922000 117 " " I A 2 "ILE " "HD11" 1 0 2 1 1777 26.26 + 1778 41 23.697000 22.700000 7.265000 117 " " I A 2 "ILE " "HD12" 1 0 2 1 1778 26.26 + 1779 41 24.413000 22.682000 5.652000 117 " " I A 2 "ILE " "HD13" 1 0 2 1 1779 26.26 + 1780 25 20.661000 18.982000 4.779000 118 " " F A 2 "PHE " " N " 7 0 2 1 1780 14.87 + 1781 3 19.756000 18.736000 3.662000 118 " " F A 2 "PHE " " CA " 6 0 2 1 1781 14.87 + 1782 2 19.256000 20.102000 3.175000 118 " " F A 2 "PHE " " C " 6 0 2 1 1782 14.87 + 1783 15 18.580000 20.786000 3.948000 118 " " F A 2 "PHE " " O " 8 0 2 1 1783 2.48 + 1784 3 18.575000 17.875000 4.159000 118 " " F A 2 "PHE " " CB " 6 0 2 1 1784 2.48 + 1785 2 18.994000 16.496000 4.626000 118 " " F A 2 "PHE " " CG " 6 0 2 1 1785 2.48 + 1786 2 19.459000 16.318000 5.943000 118 " " F A 2 "PHE " " CD1" 6 0 2 1 1786 2.48 + 1787 2 19.134000 15.439000 3.701000 118 " " F A 2 "PHE " " CD2" 6 0 2 1 1787 2.48 + 1788 2 20.023000 15.112000 6.318000 118 " " F A 2 "PHE " " CE1" 6 0 2 1 1788 2.48 + 1789 2 19.658000 14.221000 4.112000 118 " " F A 2 "PHE " " CE2" 6 0 2 1 1789 2.48 + 1790 2 20.104000 14.062000 5.417000 118 " " F A 2 "PHE " " CZ " 6 0 2 1 1790 2.48 + 1791 43 20.259000 19.494000 5.554000 118 " " F A 2 "PHE " " H " 1 0 2 1 1791 14.87 + 1792 41 20.250000 18.169000 2.874000 118 " " F A 2 "PHE " " HA " 1 0 2 1 1792 14.87 + 1793 41 17.843000 17.756000 3.358000 118 " " F A 2 "PHE " " HB3" 1 0 2 1 1793 2.48 + 1794 41 18.053000 18.375000 4.975000 118 " " F A 2 "PHE " " HB2" 1 0 2 1 1794 2.48 + 1795 41 19.418000 17.130000 6.654000 118 " " F A 2 "PHE " " HD1" 1 0 2 1 1795 2.48 + 1796 41 18.833000 15.575000 2.673000 118 " " F A 2 "PHE " " HD2" 1 0 2 1 1796 2.48 + 1797 41 20.416000 15.008000 7.315000 118 " " F A 2 "PHE " " HE1" 1 0 2 1 1797 2.48 + 1798 41 19.745000 13.405000 3.409000 118 " " F A 2 "PHE " " HE2" 1 0 2 1 1798 2.48 + 1799 41 20.543000 13.128000 5.728000 118 " " F A 2 "PHE " " HZ " 1 0 2 1 1799 2.48 + 1800 25 19.572000 20.481000 1.914000 119 " " P A 2 "PRO " " N " 7 0 0 1 1800 11.54 + 1801 3 18.931000 21.636000 1.257000 119 " " P A 2 "PRO " " CA " 6 0 0 1 1801 11.54 + 1802 2 17.401000 21.465000 1.118000 119 " " P A 2 "PRO " " C " 6 0 0 1 1802 11.54 + 1803 15 16.932000 20.324000 1.099000 119 " " P A 2 "PRO " " O " 8 0 0 1 1803 28.91 + 1804 3 19.603000 21.687000 -0.130000 119 " " P A 2 "PRO " " CB " 6 0 0 1 1804 28.91 + 1805 3 20.890000 20.893000 0.010000 119 " " P A 2 "PRO " " CG " 6 0 0 1 1805 28.91 + 1806 3 20.534000 19.827000 1.029000 119 " " P A 2 "PRO " " CD " 6 0 0 1 1806 28.91 + 1807 41 19.201000 22.507000 1.850000 119 " " P A 2 "PRO " " HA " 1 0 0 1 1807 11.54 + 1808 41 19.781000 22.706000 -0.473000 119 " " P A 2 "PRO " " HB3" 1 0 0 1 1808 28.91 + 1809 41 18.976000 21.204000 -0.883000 119 " " P A 2 "PRO " " HB2" 1 0 0 1 1809 28.91 + 1810 41 21.666000 21.526000 0.429000 119 " " P A 2 "PRO " " HG3" 1 0 0 1 1810 28.91 + 1811 41 21.260000 20.489000 -0.932000 119 " " P A 2 "PRO " " HG2" 1 0 0 1 1811 28.91 + 1812 41 20.053000 18.974000 0.548000 119 " " P A 2 "PRO " " HD2" 1 0 0 1 1812 28.91 + 1813 41 21.432000 19.484000 1.545000 119 " " P A 2 "PRO " " HD3" 1 0 0 1 1813 28.91 + 1814 25 16.647000 22.580000 0.976000 120 " " P A 2 "PRO " " N " 7 0 0 1 1814 11.29 + 1815 3 15.202000 22.533000 0.716000 120 " " P A 2 "PRO " " CA " 6 0 0 1 1815 11.29 + 1816 2 14.920000 21.874000 -0.635000 120 " " P A 2 "PRO " " C " 6 0 0 1 1816 11.29 + 1817 15 15.415000 22.354000 -1.658000 120 " " P A 2 "PRO " " O " 8 0 0 1 1817 28.3 + 1818 3 14.752000 24.008000 0.736000 120 " " P A 2 "PRO " " CB " 6 0 0 1 1818 28.3 + 1819 3 15.913000 24.770000 1.344000 120 " " P A 2 "PRO " " CG " 6 0 0 1 1819 28.3 + 1820 3 17.108000 23.955000 0.884000 120 " " P A 2 "PRO " " CD " 6 0 0 1 1820 28.3 + 1821 41 14.718000 21.990000 1.531000 120 " " P A 2 "PRO " " HA " 1 0 0 1 1821 11.29 + 1822 41 13.837000 24.132000 1.308000 120 " " P A 2 "PRO " " HB3" 1 0 0 1 1822 28.3 + 1823 41 14.561000 24.392000 -0.267000 120 " " P A 2 "PRO " " HB2" 1 0 0 1 1823 28.3 + 1824 41 15.842000 24.740000 2.431000 120 " " P A 2 "PRO " " HG3" 1 0 0 1 1824 28.3 + 1825 41 15.954000 25.812000 1.036000 120 " " P A 2 "PRO " " HG2" 1 0 0 1 1825 28.3 + 1826 41 17.300000 24.127000 -0.171000 120 " " P A 2 "PRO " " HD2" 1 0 0 1 1826 28.3 + 1827 41 18.005000 24.207000 1.436000 120 " " P A 2 "PRO " " HD3" 1 0 0 1 1827 28.3 + 1828 25 14.161000 20.769000 -0.594000 121 " " S A 2 "SER " " N " 7 0 0 1 1828 32.95 + 1829 3 13.721000 20.023000 -1.770000 121 " " S A 2 "SER " " CA " 6 0 0 1 1829 32.95 + 1830 2 13.015000 20.940000 -2.782000 121 " " S A 2 "SER " " C " 6 0 0 1 1830 32.95 + 1831 15 12.225000 21.790000 -2.374000 121 " " S A 2 "SER " " O " 8 0 0 1 1831 64.07 + 1832 3 12.838000 18.843000 -1.309000 121 " " S A 2 "SER " " CB " 6 0 0 1 1832 64.07 + 1833 16 11.586000 19.252000 -0.789000 121 " " S A 2 "SER " " OG " 8 0 0 1 1833 64.07 + 1834 43 13.835000 20.428000 0.298000 121 " " S A 2 "SER " " H " 1 0 0 1 1834 32.95 + 1835 41 14.618000 19.613000 -2.238000 121 " " S A 2 "SER " " HA " 1 0 0 1 1835 32.95 + 1836 41 13.362000 18.261000 -0.555000 121 " " S A 2 "SER " " HB3" 1 0 0 1 1836 64.07 + 1837 41 12.650000 18.170000 -2.146000 121 " " S A 2 "SER " " HB2" 1 0 0 1 1837 64.07 + 1838 42 11.734000 19.711000 0.041000 121 " " S A 2 "SER " " HG " 1 0 0 1 1838 64.07 + 1839 25 13.317000 20.759000 -4.075000 122 " " S A 2 "SER " " N " 7 0 1 1 1839 17.31 + 1840 3 12.707000 21.504000 -5.184000 122 " " S A 2 "SER " " CA " 6 0 1 1 1840 17.31 + 1841 2 11.166000 21.405000 -5.229000 122 " " S A 2 "SER " " C " 6 0 1 1 1841 17.31 + 1842 15 10.502000 22.339000 -5.680000 122 " " S A 2 "SER " " O " 8 0 1 1 1842 68.15 + 1843 3 13.374000 21.042000 -6.495000 122 " " S A 2 "SER " " CB " 6 0 1 1 1843 68.15 + 1844 16 13.137000 19.669000 -6.750000 122 " " S A 2 "SER " " OG " 8 0 1 1 1844 68.15 + 1845 43 13.980000 20.045000 -4.341000 122 " " S A 2 "SER " " H " 1 0 1 1 1845 17.31 + 1846 41 12.957000 22.555000 -5.036000 122 " " S A 2 "SER " " HA " 1 0 1 1 1846 17.31 + 1847 41 14.450000 21.213000 -6.454000 122 " " S A 2 "SER " " HB3" 1 0 1 1 1847 68.15 + 1848 41 12.996000 21.624000 -7.336000 122 " " S A 2 "SER " " HB2" 1 0 1 1 1848 68.15 + 1849 42 13.540000 19.439000 -7.591000 122 " " S A 2 "SER " " HG " 1 0 1 1 1849 68.15 + 1850 25 10.644000 20.295000 -4.690000 123 " " E A 2 "GLU " " N " 7 0 1 1 1850 39.41 + 1851 3 9.237000 19.999000 -4.480000 123 " " E A 2 "GLU " " CA " 6 0 1 1 1851 39.41 + 1852 2 8.598000 20.872000 -3.378000 123 " " E A 2 "GLU " " C " 6 0 1 1 1852 39.41 + 1853 15 7.479000 21.341000 -3.577000 123 " " E A 2 "GLU " " O " 8 0 1 1 1853 41.35 + 1854 3 9.158000 18.487000 -4.213000 123 " " E A 2 "GLU " " CB " 6 0 1 1 1854 41.35 + 1855 3 7.743000 17.888000 -4.247000 123 " " E A 2 "GLU " " CG " 6 0 1 1 1855 41.35 + 1856 2 7.742000 16.357000 -4.219000 123 " " E A 2 "GLU " " CD " 6 0 1 1 1856 41.35 + 1857 15 8.817000 15.749000 -4.424000 123 " " E A 2 "GLU " " OE1" 8 0 1 1 1857 41.35 + 1858 18 6.641000 15.807000 -3.998000 123 " " E A 2 "GLU " " OE2" 8 -1 1 1 1858 41.35 + 1859 43 11.284000 19.588000 -4.356000 123 " " E A 2 "GLU " " H " 1 0 1 1 1859 39.41 + 1860 41 8.718000 20.207000 -5.418000 123 " " E A 2 "GLU " " HA " 1 0 1 1 1860 39.41 + 1861 41 9.620000 18.259000 -3.250000 123 " " E A 2 "GLU " " HB3" 1 0 1 1 1861 41.35 + 1862 41 9.774000 17.986000 -4.963000 123 " " E A 2 "GLU " " HB2" 1 0 1 1 1862 41.35 + 1863 41 7.230000 18.204000 -5.156000 123 " " E A 2 "GLU " " HG3" 1 0 1 1 1863 41.35 + 1864 41 7.156000 18.260000 -3.407000 123 " " E A 2 "GLU " " HG2" 1 0 1 1 1864 41.35 + 1865 25 9.337000 21.147000 -2.284000 124 " " Q A 2 "GLN " " N " 7 0 1 1 1865 32.44 + 1866 3 8.966000 22.138000 -1.266000 124 " " Q A 2 "GLN " " CA " 6 0 1 1 1866 32.44 + 1867 2 9.015000 23.583000 -1.792000 124 " " Q A 2 "GLN " " C " 6 0 1 1 1867 32.44 + 1868 15 8.130000 24.364000 -1.448000 124 " " Q A 2 "GLN " " O " 8 0 1 1 1868 55.02 + 1869 3 9.828000 21.977000 0.010000 124 " " Q A 2 "GLN " " CB " 6 0 1 1 1869 55.02 + 1870 3 9.530000 23.030000 1.101000 124 " " Q A 2 "GLN " " CG " 6 0 1 1 1870 55.02 + 1871 2 10.310000 22.843000 2.398000 124 " " Q A 2 "GLN " " CD " 6 0 1 1 1871 55.02 + 1872 15 11.266000 22.074000 2.474000 124 " " Q A 2 "GLN " " OE1" 8 0 1 1 1872 55.02 + 1873 25 9.908000 23.594000 3.425000 124 " " Q A 2 "GLN " " NE2" 7 0 1 1 1873 55.02 + 1874 43 10.257000 20.738000 -2.188000 124 " " Q A 2 "GLN " " H " 1 0 1 1 1874 32.44 + 1875 41 7.931000 21.940000 -0.984000 124 " " Q A 2 "GLN " " HA " 1 0 1 1 1875 32.44 + 1876 41 10.886000 22.027000 -0.244000 124 " " Q A 2 "GLN " " HB3" 1 0 1 1 1876 55.02 + 1877 41 9.667000 20.981000 0.419000 124 " " Q A 2 "GLN " " HB2" 1 0 1 1 1877 55.02 + 1878 41 8.463000 23.031000 1.327000 124 " " Q A 2 "GLN " " HG3" 1 0 1 1 1878 55.02 + 1879 41 9.775000 24.029000 0.745000 124 " " Q A 2 "GLN " " HG2" 1 0 1 1 1879 55.02 + 1880 43 10.386000 23.547000 4.317000 124 " " Q A 2 "GLN " "HE22" 1 0 1 1 1880 55.02 + 1881 43 9.134000 24.231000 3.314000 124 " " Q A 2 "GLN " "HE21" 1 0 1 1 1881 55.02 + 1882 25 10.031000 23.914000 -2.609000 125 " " L A 2 "LEU " " N " 7 0 1 1 1882 26.47 + 1883 3 10.220000 25.249000 -3.189000 125 " " L A 2 "LEU " " CA " 6 0 1 1 1883 26.47 + 1884 2 9.085000 25.681000 -4.133000 125 " " L A 2 "LEU " " C " 6 0 1 1 1884 26.47 + 1885 15 8.857000 26.882000 -4.265000 125 " " L A 2 "LEU " " O " 8 0 1 1 1885 19.07 + 1886 3 11.585000 25.335000 -3.905000 125 " " L A 2 "LEU " " CB " 6 0 1 1 1886 19.07 + 1887 3 12.812000 25.185000 -2.979000 125 " " L A 2 "LEU " " CG " 6 0 1 1 1887 19.07 + 1888 3 14.120000 25.174000 -3.792000 125 " " L A 2 "LEU " " CD1" 6 0 1 1 1888 19.07 + 1889 3 12.840000 26.231000 -1.852000 125 " " L A 2 "LEU " " CD2" 6 0 1 1 1889 19.07 + 1890 43 10.735000 23.222000 -2.831000 125 " " L A 2 "LEU " " H " 1 0 1 1 1890 26.47 + 1891 41 10.208000 25.963000 -2.366000 125 " " L A 2 "LEU " " HA " 1 0 1 1 1891 26.47 + 1892 41 11.665000 26.294000 -4.419000 125 " " L A 2 "LEU " " HB3" 1 0 1 1 1892 19.07 + 1893 41 11.624000 24.576000 -4.687000 125 " " L A 2 "LEU " " HB2" 1 0 1 1 1893 19.07 + 1894 41 12.748000 24.213000 -2.497000 125 " " L A 2 "LEU " " HG " 1 0 1 1 1894 19.07 + 1895 41 14.771000 24.360000 -3.470000 125 " " L A 2 "LEU " "HD11" 1 0 1 1 1895 19.07 + 1896 41 13.938000 25.036000 -4.858000 125 " " L A 2 "LEU " "HD12" 1 0 1 1 1896 19.07 + 1897 41 14.678000 26.104000 -3.687000 125 " " L A 2 "LEU " "HD13" 1 0 1 1 1897 19.07 + 1898 41 13.845000 26.589000 -1.646000 125 " " L A 2 "LEU " "HD21" 1 0 1 1 1898 19.07 + 1899 41 12.222000 27.102000 -2.073000 125 " " L A 2 "LEU " "HD22" 1 0 1 1 1899 19.07 + 1900 41 12.475000 25.788000 -0.926000 125 " " L A 2 "LEU " "HD23" 1 0 1 1 1900 19.07 + 1901 25 8.354000 24.711000 -4.709000 126 " " T A 2 "THR " " N " 7 0 0 1 1901 19.79 + 1902 3 7.125000 24.931000 -5.480000 126 " " T A 2 "THR " " CA " 6 0 0 1 1902 19.79 + 1903 2 5.988000 25.576000 -4.648000 126 " " T A 2 "THR " " C " 6 0 0 1 1903 19.79 + 1904 15 5.175000 26.305000 -5.215000 126 " " T A 2 "THR " " O " 8 0 0 1 1904 37.99 + 1905 3 6.599000 23.595000 -6.077000 126 " " T A 2 "THR " " CB " 6 0 0 1 1905 37.99 + 1906 16 7.620000 22.986000 -6.848000 126 " " T A 2 "THR " " OG1" 8 0 0 1 1906 37.99 + 1907 3 5.358000 23.714000 -6.982000 126 " " T A 2 "THR " " CG2" 6 0 0 1 1907 37.99 + 1908 43 8.604000 23.748000 -4.536000 126 " " T A 2 "THR " " H " 1 0 0 1 1908 19.79 + 1909 41 7.366000 25.611000 -6.300000 126 " " T A 2 "THR " " HA " 1 0 0 1 1909 19.79 + 1910 41 6.356000 22.908000 -5.267000 126 " " T A 2 "THR " " HB " 1 0 0 1 1910 37.99 + 1911 42 8.372000 22.793000 -6.282000 126 " " T A 2 "THR " " HG1" 1 0 0 1 1911 37.99 + 1912 41 5.131000 22.761000 -7.461000 126 " " T A 2 "THR " "HG21" 1 0 0 1 1912 37.99 + 1913 41 4.469000 24.003000 -6.420000 126 " " T A 2 "THR " "HG22" 1 0 0 1 1913 37.99 + 1914 41 5.512000 24.452000 -7.770000 126 " " T A 2 "THR " "HG23" 1 0 0 1 1914 37.99 + 1915 25 5.980000 25.336000 -3.323000 127 " " S A 2 "SER " " N " 7 0 0 1 1915 38.46 + 1916 3 5.016000 25.902000 -2.373000 127 " " S A 2 "SER " " CA " 6 0 0 1 1916 38.46 + 1917 2 5.358000 27.347000 -1.954000 127 " " S A 2 "SER " " C " 6 0 0 1 1917 38.46 + 1918 15 4.456000 28.062000 -1.518000 127 " " S A 2 "SER " " O " 8 0 0 1 1918 80.65 + 1919 3 4.947000 25.007000 -1.117000 127 " " S A 2 "SER " " CB " 6 0 0 1 1919 80.65 + 1920 16 4.574000 23.684000 -1.449000 127 " " S A 2 "SER " " OG " 8 0 0 1 1920 80.65 + 1921 43 6.706000 24.758000 -2.920000 127 " " S A 2 "SER " " H " 1 0 0 1 1921 38.46 + 1922 41 4.030000 25.916000 -2.841000 127 " " S A 2 "SER " " HA " 1 0 0 1 1922 38.46 + 1923 41 4.200000 25.395000 -0.423000 127 " " S A 2 "SER " " HB3" 1 0 0 1 1923 80.65 + 1924 41 5.889000 24.994000 -0.572000 127 " " S A 2 "SER " " HB2" 1 0 0 1 1924 80.65 + 1925 42 5.260000 23.301000 -2.001000 127 " " S A 2 "SER " " HG " 1 0 0 1 1925 80.65 + 1926 25 6.636000 27.748000 -2.083000 128 " " G A 2 "GLY " " N " 7 0 0 1 1926 27.83 + 1927 3 7.141000 29.066000 -1.691000 128 " " G A 2 "GLY " " CA " 6 0 0 1 1927 27.83 + 1928 2 7.832000 29.042000 -0.315000 128 " " G A 2 "GLY " " C " 6 0 0 1 1928 27.83 + 1929 15 8.328000 30.083000 0.110000 128 " " G A 2 "GLY " " O " 8 0 0 1 1929 46.01 + 1930 43 7.310000 27.109000 -2.482000 128 " " G A 2 "GLY " " H " 1 0 0 1 1930 27.83 + 1931 41 6.347000 29.815000 -1.685000 128 " " G A 2 "GLY " " HA3" 1 0 0 1 1931 27.83 + 1932 41 7.867000 29.386000 -2.438000 128 " " G A 2 "GLY " " HA2" 1 0 0 1 1932 27.83 + 1933 25 7.883000 27.882000 0.366000 129 " " G A 2 "GLY " " N " 7 0 2 1 1933 2.48 + 1934 3 8.613000 27.662000 1.618000 129 " " G A 2 "GLY " " CA " 6 0 2 1 1934 2.48 + 1935 2 9.988000 27.045000 1.315000 129 " " G A 2 "GLY " " C " 6 0 2 1 1935 2.48 + 1936 15 10.238000 26.598000 0.196000 129 " " G A 2 "GLY " " O " 8 0 2 1 1936 55.94 + 1937 43 7.459000 27.066000 -0.050000 129 " " G A 2 "GLY " " H " 1 0 2 1 1937 2.48 + 1938 41 8.045000 26.959000 2.228000 129 " " G A 2 "GLY " " HA3" 1 0 2 1 1938 2.48 + 1939 41 8.708000 28.577000 2.200000 129 " " G A 2 "GLY " " HA2" 1 0 2 1 1939 2.48 + 1940 25 10.873000 26.994000 2.326000 130 " " A A 2 "ALA " " N " 7 0 2 1 1940 2.48 + 1941 3 12.235000 26.469000 2.201000 130 " " A A 2 "ALA " " CA " 6 0 2 1 1941 2.48 + 1942 2 12.812000 26.090000 3.576000 130 " " A A 2 "ALA " " C " 6 0 2 1 1942 2.48 + 1943 15 13.230000 26.976000 4.318000 130 " " A A 2 "ALA " " O " 8 0 2 1 1943 2.48 + 1944 3 13.123000 27.515000 1.500000 130 " " A A 2 "ALA " " CB " 6 0 2 1 1944 2.48 + 1945 43 10.644000 27.404000 3.222000 130 " " A A 2 "ALA " " H " 1 0 2 1 1945 2.48 + 1946 41 12.196000 25.569000 1.587000 130 " " A A 2 "ALA " " HA " 1 0 2 1 1946 2.48 + 1947 41 14.147000 27.162000 1.394000 130 " " A A 2 "ALA " " HB1" 1 0 2 1 1947 2.48 + 1948 41 12.758000 27.758000 0.502000 130 " " A A 2 "ALA " " HB2" 1 0 2 1 1948 2.48 + 1949 41 13.152000 28.448000 2.063000 130 " " A A 2 "ALA " " HB3" 1 0 2 1 1949 2.48 + 1950 25 12.845000 24.785000 3.888000 131 " " S A 2 "SER " " N " 7 0 2 1 1950 2.48 + 1951 3 13.333000 24.268000 5.167000 131 " " S A 2 "SER " " CA " 6 0 2 1 1951 2.48 + 1952 2 14.667000 23.543000 4.972000 131 " " S A 2 "SER " " C " 6 0 2 1 1952 2.48 + 1953 15 14.679000 22.437000 4.429000 131 " " S A 2 "SER " " O " 8 0 2 1 1953 51.53 + 1954 3 12.294000 23.308000 5.770000 131 " " S A 2 "SER " " CB " 6 0 2 1 1954 51.53 + 1955 16 11.162000 24.013000 6.230000 131 " " S A 2 "SER " " OG " 8 0 2 1 1955 51.53 + 1956 43 12.506000 24.096000 3.231000 131 " " S A 2 "SER " " H " 1 0 2 1 1956 2.48 + 1957 41 13.488000 25.072000 5.883000 131 " " S A 2 "SER " " HA " 1 0 2 1 1957 2.48 + 1958 41 12.716000 22.775000 6.621000 131 " " S A 2 "SER " " HB3" 1 0 2 1 1958 51.53 + 1959 41 11.988000 22.557000 5.043000 131 " " S A 2 "SER " " HB2" 1 0 2 1 1959 51.53 + 1960 42 11.402000 24.504000 7.024000 131 " " S A 2 "SER " " HG " 1 0 2 1 1960 51.53 + 1961 25 15.755000 24.161000 5.460000 132 " " V A 2 "VAL " " N " 7 0 2 1 1961 9.51 + 1962 3 17.043000 23.492000 5.624000 132 " " V A 2 "VAL " " CA " 6 0 2 1 1962 9.51 + 1963 2 17.032000 22.716000 6.951000 132 " " V A 2 "VAL " " C " 6 0 2 1 1963 9.51 + 1964 15 16.815000 23.306000 8.010000 132 " " V A 2 "VAL " " O " 8 0 2 1 1964 16.97 + 1965 3 18.254000 24.470000 5.581000 132 " " V A 2 "VAL " " CB " 6 0 2 1 1965 16.97 + 1966 3 18.449000 25.032000 4.172000 132 " " V A 2 "VAL " " CG1" 6 0 2 1 1966 16.97 + 1967 3 18.247000 25.618000 6.604000 132 " " V A 2 "VAL " " CG2" 6 0 2 1 1967 16.97 + 1968 43 15.662000 25.063000 5.907000 132 " " V A 2 "VAL " " H " 1 0 2 1 1968 9.51 + 1969 41 17.173000 22.785000 4.804000 132 " " V A 2 "VAL " " HA " 1 0 2 1 1969 9.51 + 1970 41 19.150000 23.883000 5.790000 132 " " V A 2 "VAL " " HB " 1 0 2 1 1970 16.97 + 1971 41 19.300000 25.711000 4.125000 132 " " V A 2 "VAL " "HG11" 1 0 2 1 1971 16.97 + 1972 41 18.639000 24.216000 3.480000 132 " " V A 2 "VAL " "HG12" 1 0 2 1 1972 16.97 + 1973 41 17.572000 25.581000 3.829000 132 " " V A 2 "VAL " "HG13" 1 0 2 1 1973 16.97 + 1974 41 19.098000 26.283000 6.452000 132 " " V A 2 "VAL " "HG21" 1 0 2 1 1974 16.97 + 1975 41 17.344000 26.222000 6.528000 132 " " V A 2 "VAL " "HG22" 1 0 2 1 1975 16.97 + 1976 41 18.328000 25.245000 7.620000 132 " " V A 2 "VAL " "HG23" 1 0 2 1 1976 16.97 + 1977 25 17.215000 21.393000 6.846000 133 " " V A 2 "VAL " " N " 7 0 2 1 1977 17.64 + 1978 3 17.215000 20.476000 7.979000 133 " " V A 2 "VAL " " CA " 6 0 2 1 1978 17.64 + 1979 2 18.660000 20.056000 8.267000 133 " " V A 2 "VAL " " C " 6 0 2 1 1979 17.64 + 1980 15 19.392000 19.703000 7.344000 133 " " V A 2 "VAL " " O " 8 0 2 1 1980 16.06 + 1981 3 16.346000 19.218000 7.688000 133 " " V A 2 "VAL " " CB " 6 0 2 1 1981 16.06 + 1982 3 16.530000 18.053000 8.683000 133 " " V A 2 "VAL " " CG1" 6 0 2 1 1982 16.06 + 1983 3 14.859000 19.609000 7.621000 133 " " V A 2 "VAL " " CG2" 6 0 2 1 1983 16.06 + 1984 43 17.389000 20.983000 5.939000 133 " " V A 2 "VAL " " H " 1 0 2 1 1984 17.64 + 1985 41 16.807000 20.965000 8.865000 133 " " V A 2 "VAL " " HA " 1 0 2 1 1985 17.64 + 1986 41 16.612000 18.834000 6.703000 133 " " V A 2 "VAL " " HB " 1 0 2 1 1986 16.06 + 1987 41 15.790000 17.275000 8.498000 133 " " V A 2 "VAL " "HG11" 1 0 2 1 1987 16.06 + 1988 41 17.509000 17.581000 8.597000 133 " " V A 2 "VAL " "HG12" 1 0 2 1 1988 16.06 + 1989 41 16.403000 18.385000 9.714000 133 " " V A 2 "VAL " "HG13" 1 0 2 1 1989 16.06 + 1990 41 14.222000 18.758000 7.391000 133 " " V A 2 "VAL " "HG21" 1 0 2 1 1990 16.06 + 1991 41 14.518000 20.019000 8.569000 133 " " V A 2 "VAL " "HG22" 1 0 2 1 1991 16.06 + 1992 41 14.678000 20.361000 6.852000 133 " " V A 2 "VAL " "HG23" 1 0 2 1 1992 16.06 + 1993 25 19.016000 20.094000 9.554000 134 " " C A 2 "CYS " " N " 7 0 2 1 1993 38.85 + 1994 3 20.279000 19.633000 10.100000 134 " " C A 2 "CYS " " CA " 6 0 2 1 1994 38.85 + 1995 2 19.951000 18.571000 11.151000 134 " " C A 2 "CYS " " C " 6 0 2 1 1995 38.85 + 1996 15 19.374000 18.902000 12.184000 134 " " C A 2 "CYS " " O " 8 0 2 1 1996 44.13 + 1997 3 21.062000 20.841000 10.649000 134 " " C A 2 "CYS " " CB " 6 0 2 1 1997 44.13 + 1998 49 22.652000 20.539000 11.463000 134 " " C A 2 "CYS " " SG " 16 0 2 1 1998 44.13 + 1999 43 18.340000 20.411000 10.241000 134 " " C A 2 "CYS " " H " 1 0 2 1 1999 38.85 + 2000 41 20.873000 19.192000 9.307000 134 " " C A 2 "CYS " " HA " 1 0 2 1 2000 38.85 + 2001 41 20.445000 21.419000 11.337000 134 " " C A 2 "CYS " " HB3" 1 0 2 1 2001 44.13 + 2002 41 21.278000 21.495000 9.807000 134 " " C A 2 "CYS " " HB2" 1 0 2 1 2002 44.13 + 2003 25 20.306000 17.313000 10.855000 135 " " F A 2 "PHE " " N " 7 0 2 1 2003 19.22 + 2004 3 20.216000 16.193000 11.789000 135 " " F A 2 "PHE " " CA " 6 0 2 1 2004 19.22 + 2005 2 21.554000 16.056000 12.515000 135 " " F A 2 "PHE " " C " 6 0 2 1 2005 19.22 + 2006 15 22.589000 16.122000 11.860000 135 " " F A 2 "PHE " " O " 8 0 2 1 2006 6.44 + 2007 3 19.898000 14.894000 11.018000 135 " " F A 2 "PHE " " CB " 6 0 2 1 2007 6.44 + 2008 2 18.536000 14.830000 10.350000 135 " " F A 2 "PHE " " CG " 6 0 2 1 2008 6.44 + 2009 2 17.365000 15.227000 11.031000 135 " " F A 2 "PHE " " CD1" 6 0 2 1 2009 6.44 + 2010 2 18.409000 14.220000 9.085000 135 " " F A 2 "PHE " " CD2" 6 0 2 1 2010 6.44 + 2011 2 16.127000 15.100000 10.414000 135 " " F A 2 "PHE " " CE1" 6 0 2 1 2011 6.44 + 2012 2 17.171000 14.144000 8.465000 135 " " F A 2 "PHE " " CE2" 6 0 2 1 2012 6.44 + 2013 2 16.032000 14.582000 9.129000 135 " " F A 2 "PHE " " CZ " 6 0 2 1 2013 6.44 + 2014 43 20.791000 17.129000 9.987000 135 " " F A 2 "PHE " " H " 1 0 2 1 2014 19.22 + 2015 41 19.440000 16.376000 12.532000 135 " " F A 2 "PHE " " HA " 1 0 2 1 2015 19.22 + 2016 41 19.968000 14.033000 11.677000 135 " " F A 2 "PHE " " HB3" 1 0 2 1 2016 6.44 + 2017 41 20.663000 14.741000 10.256000 135 " " F A 2 "PHE " " HB2" 1 0 2 1 2017 6.44 + 2018 41 17.415000 15.630000 12.030000 135 " " F A 2 "PHE " " HD1" 1 0 2 1 2018 6.44 + 2019 41 19.274000 13.805000 8.595000 135 " " F A 2 "PHE " " HD2" 1 0 2 1 2019 6.44 + 2020 41 15.236000 15.410000 10.937000 135 " " F A 2 "PHE " " HE1" 1 0 2 1 2020 6.44 + 2021 41 17.093000 13.706000 7.481000 135 " " F A 2 "PHE " " HE2" 1 0 2 1 2021 6.44 + 2022 41 15.065000 14.491000 8.658000 135 " " F A 2 "PHE " " HZ " 1 0 2 1 2022 6.44 + 2023 25 21.506000 15.859000 13.839000 136 " " L A 2 "LEU " " N " 7 0 2 1 2023 25.5 + 2024 3 22.678000 15.662000 14.687000 136 " " L A 2 "LEU " " CA " 6 0 2 1 2024 25.5 + 2025 2 22.426000 14.374000 15.465000 136 " " L A 2 "LEU " " C " 6 0 2 1 2025 25.5 + 2026 15 21.823000 14.431000 16.532000 136 " " L A 2 "LEU " " O " 8 0 2 1 2026 14.82 + 2027 3 22.873000 16.868000 15.634000 136 " " L A 2 "LEU " " CB " 6 0 2 1 2027 14.82 + 2028 3 23.012000 18.232000 14.930000 136 " " L A 2 "LEU " " CG " 6 0 2 1 2028 14.82 + 2029 3 21.655000 18.907000 14.656000 136 " " L A 2 "LEU " " CD1" 6 0 2 1 2029 14.82 + 2030 3 23.918000 19.151000 15.742000 136 " " L A 2 "LEU " " CD2" 6 0 2 1 2030 14.82 + 2031 43 20.609000 15.828000 14.306000 136 " " L A 2 "LEU " " H " 1 0 2 1 2031 25.5 + 2032 41 23.587000 15.530000 14.095000 136 " " L A 2 "LEU " " HA " 1 0 2 1 2032 25.5 + 2033 41 23.777000 16.668000 16.210000 136 " " L A 2 "LEU " " HB3" 1 0 2 1 2033 14.82 + 2034 41 22.079000 16.935000 16.376000 136 " " L A 2 "LEU " " HB2" 1 0 2 1 2034 14.82 + 2035 41 23.507000 18.075000 13.971000 136 " " L A 2 "LEU " " HG " 1 0 2 1 2035 14.82 + 2036 41 21.587000 19.904000 15.090000 136 " " L A 2 "LEU " "HD11" 1 0 2 1 2036 14.82 + 2037 41 21.506000 19.020000 13.587000 136 " " L A 2 "LEU " "HD12" 1 0 2 1 2037 14.82 + 2038 41 20.812000 18.330000 15.037000 136 " " L A 2 "LEU " "HD13" 1 0 2 1 2038 14.82 + 2039 41 24.110000 20.079000 15.203000 136 " " L A 2 "LEU " "HD21" 1 0 2 1 2039 14.82 + 2040 41 23.473000 19.401000 16.706000 136 " " L A 2 "LEU " "HD22" 1 0 2 1 2040 14.82 + 2041 41 24.873000 18.663000 15.929000 136 " " L A 2 "LEU " "HD23" 1 0 2 1 2041 14.82 + 2042 25 22.782000 13.227000 14.869000 137 " " N A 2 "ASN " " N " 7 0 2 1 2042 2.48 + 2043 3 22.383000 11.909000 15.374000 137 " " N A 2 "ASN " " CA " 6 0 2 1 2043 2.48 + 2044 2 23.512000 11.256000 16.182000 137 " " N A 2 "ASN " " C " 6 0 2 1 2044 2.48 + 2045 15 24.686000 11.422000 15.854000 137 " " N A 2 "ASN " " O " 8 0 2 1 2045 2.48 + 2046 3 21.936000 11.018000 14.188000 137 " " N A 2 "ASN " " CB " 6 0 2 1 2046 2.48 + 2047 2 20.562000 11.357000 13.582000 137 " " N A 2 "ASN " " CG " 6 0 2 1 2047 2.48 + 2048 15 19.971000 10.520000 12.905000 137 " " N A 2 "ASN " " OD1" 8 0 2 1 2048 2.48 + 2049 25 20.032000 12.562000 13.806000 137 " " N A 2 "ASN " " ND2" 7 0 2 1 2049 2.48 + 2050 43 23.288000 13.241000 13.994000 137 " " N A 2 "ASN " " H " 1 0 2 1 2050 2.48 + 2051 41 21.519000 12.046000 16.019000 137 " " N A 2 "ASN " " HA " 1 0 2 1 2051 2.48 + 2052 41 21.858000 9.985000 14.533000 137 " " N A 2 "ASN " " HB3" 1 0 2 1 2052 2.48 + 2053 41 22.691000 11.018000 13.401000 137 " " N A 2 "ASN " " HB2" 1 0 2 1 2053 2.48 + 2054 43 19.135000 12.800000 13.408000 137 " " N A 2 "ASN " "HD22" 1 0 2 1 2054 2.48 + 2055 43 20.528000 13.242000 14.364000 137 " " N A 2 "ASN " "HD21" 1 0 2 1 2055 2.48 + 2056 25 23.092000 10.486000 17.200000 138 " " N A 2 "ASN " " N " 7 0 2 1 2056 14.41 + 2057 3 23.883000 9.602000 18.067000 138 " " N A 2 "ASN " " CA " 6 0 2 1 2057 14.41 + 2058 2 25.022000 10.317000 18.817000 138 " " N A 2 "ASN " " C " 6 0 2 1 2058 14.41 + 2059 15 26.190000 9.964000 18.650000 138 " " N A 2 "ASN " " O " 8 0 2 1 2059 40.87 + 2060 3 24.378000 8.352000 17.286000 138 " " N A 2 "ASN " " CB " 6 0 2 1 2060 40.87 + 2061 2 23.271000 7.361000 16.913000 138 " " N A 2 "ASN " " CG " 6 0 2 1 2061 40.87 + 2062 15 22.106000 7.723000 16.786000 138 " " N A 2 "ASN " " OD1" 8 0 2 1 2062 40.87 + 2063 25 23.638000 6.091000 16.731000 138 " " N A 2 "ASN " " ND2" 7 0 2 1 2063 40.87 + 2064 43 22.095000 10.429000 17.362000 138 " " N A 2 "ASN " " H " 1 0 2 1 2064 14.41 + 2065 41 23.143000 9.287000 18.800000 138 " " N A 2 "ASN " " HA " 1 0 2 1 2065 14.41 + 2066 41 25.081000 7.795000 17.909000 138 " " N A 2 "ASN " " HB3" 1 0 2 1 2066 40.87 + 2067 41 24.926000 8.641000 16.389000 138 " " N A 2 "ASN " " HB2" 1 0 2 1 2067 40.87 + 2068 43 22.940000 5.391000 16.531000 138 " " N A 2 "ASN " "HD22" 1 0 2 1 2068 40.87 + 2069 43 24.593000 5.805000 16.883000 138 " " N A 2 "ASN " "HD21" 1 0 2 1 2069 40.87 + 2070 25 24.646000 11.286000 19.661000 139 " " F A 2 "PHE " " N " 7 0 2 1 2070 15.48 + 2071 3 25.548000 12.003000 20.558000 139 " " F A 2 "PHE " " CA " 6 0 2 1 2071 15.48 + 2072 2 25.152000 11.778000 22.025000 139 " " F A 2 "PHE " " C " 6 0 2 1 2072 15.48 + 2073 15 24.025000 11.379000 22.317000 139 " " F A 2 "PHE " " O " 8 0 2 1 2073 11.35 + 2074 3 25.570000 13.494000 20.166000 139 " " F A 2 "PHE " " CB " 6 0 2 1 2074 11.35 + 2075 2 24.302000 14.304000 20.365000 139 " " F A 2 "PHE " " CG " 6 0 2 1 2075 11.35 + 2076 2 24.078000 14.960000 21.586000 139 " " F A 2 "PHE " " CD1" 6 0 2 1 2076 11.35 + 2077 2 23.282000 14.305000 19.394000 139 " " F A 2 "PHE " " CD2" 6 0 2 1 2077 11.35 + 2078 2 22.883000 15.622000 21.816000 139 " " F A 2 "PHE " " CE1" 6 0 2 1 2078 11.35 + 2079 2 22.093000 14.977000 19.642000 139 " " F A 2 "PHE " " CE2" 6 0 2 1 2079 11.35 + 2080 2 21.890000 15.631000 20.848000 139 " " F A 2 "PHE " " CZ " 6 0 2 1 2080 11.35 + 2081 43 23.662000 11.509000 19.754000 139 " " F A 2 "PHE " " H " 1 0 2 1 2081 15.48 + 2082 41 26.558000 11.613000 20.438000 139 " " F A 2 "PHE " " HA " 1 0 2 1 2082 15.48 + 2083 41 25.842000 13.557000 19.120000 139 " " F A 2 "PHE " " HB3" 1 0 2 1 2083 11.35 + 2084 41 26.376000 13.990000 20.707000 139 " " F A 2 "PHE " " HB2" 1 0 2 1 2084 11.35 + 2085 41 24.857000 14.960000 22.329000 139 " " F A 2 "PHE " " HD1" 1 0 2 1 2085 11.35 + 2086 41 23.420000 13.770000 18.466000 139 " " F A 2 "PHE " " HD2" 1 0 2 1 2086 11.35 + 2087 41 22.742000 16.141000 22.746000 139 " " F A 2 "PHE " " HE1" 1 0 2 1 2087 11.35 + 2088 41 21.313000 14.976000 18.902000 139 " " F A 2 "PHE " " HE2" 1 0 2 1 2088 11.35 + 2089 41 20.962000 16.149000 21.034000 139 " " F A 2 "PHE " " HZ " 1 0 2 1 2089 11.35 + 2090 25 26.101000 12.053000 22.928000 140 " " Y A 2 "TYR " " N " 7 0 2 1 2090 21.02 + 2091 3 25.917000 11.967000 24.374000 140 " " Y A 2 "TYR " " CA " 6 0 2 1 2091 21.02 + 2092 2 26.977000 12.869000 25.035000 140 " " Y A 2 "TYR " " C " 6 0 2 1 2092 21.02 + 2093 15 28.135000 12.766000 24.624000 140 " " Y A 2 "TYR " " O " 8 0 2 1 2093 32 + 2094 3 26.068000 10.499000 24.834000 140 " " Y A 2 "TYR " " CB " 6 0 2 1 2094 32 + 2095 2 25.593000 10.302000 26.261000 140 " " Y A 2 "TYR " " CG " 6 0 2 1 2095 32 + 2096 2 26.456000 10.555000 27.349000 140 " " Y A 2 "TYR " " CD1" 6 0 2 1 2096 32 + 2097 2 24.250000 9.950000 26.505000 140 " " Y A 2 "TYR " " CD2" 6 0 2 1 2097 32 + 2098 2 25.958000 10.521000 28.665000 140 " " Y A 2 "TYR " " CE1" 6 0 2 1 2098 32 + 2099 2 23.763000 9.884000 27.823000 140 " " Y A 2 "TYR " " CE2" 6 0 2 1 2099 32 + 2100 2 24.607000 10.201000 28.902000 140 " " Y A 2 "TYR " " CZ " 6 0 2 1 2100 32 + 2101 16 24.114000 10.225000 30.173000 140 " " Y A 2 "TYR " " OH " 8 0 2 1 2101 32 + 2102 43 27.005000 12.390000 22.619000 140 " " Y A 2 "TYR " " H " 1 0 2 1 2102 21.02 + 2103 41 24.907000 12.291000 24.608000 140 " " Y A 2 "TYR " " HA " 1 0 2 1 2103 21.02 + 2104 41 27.099000 10.155000 24.733000 140 " " Y A 2 "TYR " " HB3" 1 0 2 1 2104 32 + 2105 41 25.472000 9.843000 24.199000 140 " " Y A 2 "TYR " " HB2" 1 0 2 1 2105 32 + 2106 41 27.488000 10.824000 27.179000 140 " " Y A 2 "TYR " " HD1" 1 0 2 1 2106 32 + 2107 41 23.579000 9.760000 25.681000 140 " " Y A 2 "TYR " " HD2" 1 0 2 1 2107 32 + 2108 41 26.613000 10.755000 29.492000 140 " " Y A 2 "TYR " " HE1" 1 0 2 1 2108 32 + 2109 41 22.730000 9.626000 28.001000 140 " " Y A 2 "TYR " " HE2" 1 0 2 1 2109 32 + 2110 42 23.172000 10.037000 30.243000 140 " " Y A 2 "TYR " " HH " 1 0 2 1 2110 32 + 2111 25 26.625000 13.700000 26.051000 141 " " P A 2 "PRO " " N " 7 0 0 1 2111 12.87 + 2112 3 25.295000 13.911000 26.689000 141 " " P A 2 "PRO " " CA " 6 0 0 1 2112 12.87 + 2113 2 24.177000 14.499000 25.808000 141 " " P A 2 "PRO " " C " 6 0 0 1 2113 12.87 + 2114 15 24.440000 14.893000 24.678000 141 " " P A 2 "PRO " " O " 8 0 0 1 2114 21.16 + 2115 3 25.606000 14.884000 27.845000 141 " " P A 2 "PRO " " CB " 6 0 0 1 2115 21.16 + 2116 3 27.075000 14.677000 28.156000 141 " " P A 2 "PRO " " CG " 6 0 0 1 2116 21.16 + 2117 3 27.666000 14.430000 26.781000 141 " " P A 2 "PRO " " CD " 6 0 0 1 2117 21.16 + 2118 41 24.960000 12.958000 27.099000 141 " " P A 2 "PRO " " HA " 1 0 0 1 2118 12.87 + 2119 41 24.977000 14.709000 28.719000 141 " " P A 2 "PRO " " HB3" 1 0 0 1 2119 21.16 + 2120 41 25.455000 15.920000 27.534000 141 " " P A 2 "PRO " " HB2" 1 0 0 1 2120 21.16 + 2121 41 27.197000 13.784000 28.770000 141 " " P A 2 "PRO " " HG3" 1 0 0 1 2121 21.16 + 2122 41 27.532000 15.516000 28.682000 141 " " P A 2 "PRO " " HG2" 1 0 0 1 2122 21.16 + 2123 41 27.867000 15.373000 26.274000 141 " " P A 2 "PRO " " HD2" 1 0 0 1 2123 21.16 + 2124 41 28.609000 13.887000 26.863000 141 " " P A 2 "PRO " " HD3" 1 0 0 1 2124 21.16 + 2125 25 22.948000 14.581000 26.356000 142 " " K A 2 "LYS " " N " 7 0 0 1 2125 12.87 + 2126 3 21.785000 15.221000 25.712000 142 " " K A 2 "LYS " " CA " 6 0 0 1 2126 12.87 + 2127 2 21.993000 16.713000 25.390000 142 " " K A 2 "LYS " " C " 6 0 0 1 2127 12.87 + 2128 15 21.369000 17.226000 24.461000 142 " " K A 2 "LYS " " O " 8 0 0 1 2128 66.88 + 2129 3 20.536000 15.074000 26.612000 142 " " K A 2 "LYS " " CB " 6 0 0 1 2129 66.88 + 2130 3 19.223000 15.467000 25.905000 142 " " K A 2 "LYS " " CG " 6 0 0 1 2130 66.88 + 2131 3 17.955000 15.150000 26.704000 142 " " K A 2 "LYS " " CD " 6 0 0 1 2131 66.88 + 2132 3 16.696000 15.533000 25.914000 142 " " K A 2 "LYS " " CE " 6 0 0 1 2132 66.88 + 2133 32 15.473000 15.047000 26.571000 142 " " K A 2 "LYS " " NZ " 7 1 0 1 2133 66.88 + 2134 43 22.798000 14.232000 27.292000 142 " " K A 2 "LYS " " H " 1 0 0 1 2134 12.87 + 2135 41 21.607000 14.700000 24.769000 142 " " K A 2 "LYS " " HA " 1 0 0 1 2135 12.87 + 2136 41 20.656000 15.662000 27.523000 142 " " K A 2 "LYS " " HB3" 1 0 0 1 2136 66.88 + 2137 41 20.452000 14.048000 26.950000 142 " " K A 2 "LYS " " HB2" 1 0 0 1 2137 66.88 + 2138 41 19.175000 14.961000 24.940000 142 " " K A 2 "LYS " " HG3" 1 0 0 1 2138 66.88 + 2139 41 19.218000 16.535000 25.689000 142 " " K A 2 "LYS " " HG2" 1 0 0 1 2139 66.88 + 2140 41 17.976000 15.691000 27.651000 142 " " K A 2 "LYS " " HD3" 1 0 0 1 2140 66.88 + 2141 41 17.931000 14.092000 26.961000 142 " " K A 2 "LYS " " HD2" 1 0 0 1 2141 66.88 + 2142 41 16.732000 15.099000 24.915000 142 " " K A 2 "LYS " " HE3" 1 0 0 1 2142 66.88 + 2143 41 16.636000 16.616000 25.792000 142 " " K A 2 "LYS " " HE2" 1 0 0 1 2143 66.88 + 2144 44 15.506000 14.040000 26.639000 142 " " K A 2 "LYS " " HZ1" 1 0 0 1 2144 66.88 + 2145 44 15.404000 15.445000 27.497000 142 " " K A 2 "LYS " " HZ2" 1 0 0 1 2145 66.88 + 2146 44 14.667000 15.319000 26.025000 142 " " K A 2 "LYS " " HZ3" 1 0 0 1 2146 66.88 + 2147 25 22.850000 17.376000 26.180000 143 " " D A 2 "ASP " " N " 7 0 0 1 2147 26.73 + 2148 3 23.170000 18.793000 26.083000 143 " " D A 2 "ASP " " CA " 6 0 0 1 2148 26.73 + 2149 2 23.882000 19.095000 24.753000 143 " " D A 2 "ASP " " C " 6 0 0 1 2149 26.73 + 2150 15 24.918000 18.493000 24.473000 143 " " D A 2 "ASP " " O " 8 0 0 1 2150 75.9 + 2151 3 24.053000 19.216000 27.281000 143 " " D A 2 "ASP " " CB " 6 0 0 1 2151 75.9 + 2152 2 23.747000 20.630000 27.767000 143 " " D A 2 "ASP " " CG " 6 0 0 1 2152 75.9 + 2153 15 22.597000 20.837000 28.213000 143 " " D A 2 "ASP " " OD1" 8 0 0 1 2153 75.9 + 2154 18 24.682000 21.458000 27.742000 143 " " D A 2 "ASP " " OD2" 8 -1 0 1 2154 75.9 + 2155 43 23.324000 16.872000 26.914000 143 " " D A 2 "ASP " " H " 1 0 0 1 2155 26.73 + 2156 41 22.221000 19.334000 26.104000 143 " " D A 2 "ASP " " HA " 1 0 0 1 2156 26.73 + 2157 41 25.115000 19.152000 27.036000 143 " " D A 2 "ASP " " HB3" 1 0 0 1 2157 75.9 + 2158 41 23.930000 18.543000 28.130000 143 " " D A 2 "ASP " " HB2" 1 0 0 1 2158 75.9 + 2159 25 23.318000 20.027000 23.972000 144 " " I A 2 "ILE " " N " 7 0 0 1 2159 10.38 + 2160 3 23.902000 20.494000 22.719000 144 " " I A 2 "ILE " " CA " 6 0 0 1 2160 10.38 + 2161 2 23.261000 21.842000 22.345000 144 " " I A 2 "ILE " " C " 6 0 0 1 2161 10.38 + 2162 15 22.040000 21.987000 22.433000 144 " " I A 2 "ILE " " O " 8 0 0 1 2162 17.26 + 2163 3 23.741000 19.452000 21.557000 144 " " I A 2 "ILE " " CB " 6 0 0 1 2163 17.26 + 2164 3 24.779000 19.675000 20.441000 144 " " I A 2 "ILE " " CG1" 6 0 0 1 2164 17.26 + 2165 3 22.327000 19.339000 20.951000 144 " " I A 2 "ILE " " CG2" 6 0 0 1 2165 17.26 + 2166 3 25.008000 18.444000 19.554000 144 " " I A 2 "ILE " " CD1" 6 0 0 1 2166 17.26 + 2167 43 22.462000 20.482000 24.259000 144 " " I A 2 "ILE " " H " 1 0 0 1 2167 10.38 + 2168 41 24.964000 20.671000 22.905000 144 " " I A 2 "ILE " " HA " 1 0 0 1 2168 10.38 + 2169 41 23.959000 18.473000 21.984000 144 " " I A 2 "ILE " " HB " 1 0 0 1 2169 17.26 + 2170 41 25.730000 19.943000 20.889000 144 " " I A 2 "ILE " "HG13" 1 0 0 1 2170 17.26 + 2171 41 24.492000 20.526000 19.822000 144 " " I A 2 "ILE " "HG12" 1 0 0 1 2171 17.26 + 2172 41 22.252000 18.492000 20.269000 144 " " I A 2 "ILE " "HG21" 1 0 0 1 2172 17.26 + 2173 41 21.585000 19.181000 21.732000 144 " " I A 2 "ILE " "HG22" 1 0 0 1 2173 17.26 + 2174 41 22.046000 20.228000 20.387000 144 " " I A 2 "ILE " "HG23" 1 0 0 1 2174 17.26 + 2175 41 25.900000 18.587000 18.948000 144 " " I A 2 "ILE " "HD11" 1 0 0 1 2175 17.26 + 2176 41 25.153000 17.538000 20.146000 144 " " I A 2 "ILE " "HD12" 1 0 0 1 2176 17.26 + 2177 41 24.173000 18.275000 18.875000 144 " " I A 2 "ILE " "HD13" 1 0 0 1 2177 17.26 + 2178 25 24.103000 22.799000 21.929000 145 " " N A 2 "ASN " " N " 7 0 2 1 2178 36.98 + 2179 3 23.697000 24.090000 21.367000 145 " " N A 2 "ASN " " CA " 6 0 2 1 2179 36.98 + 2180 2 23.939000 24.010000 19.854000 145 " " N A 2 "ASN " " C " 6 0 2 1 2180 36.98 + 2181 15 25.011000 23.568000 19.435000 145 " " N A 2 "ASN " " O " 8 0 2 1 2181 69.63 + 2182 3 24.467000 25.217000 22.116000 145 " " N A 2 "ASN " " CB " 6 0 2 1 2182 69.63 + 2183 2 24.709000 26.512000 21.323000 145 " " N A 2 "ASN " " CG " 6 0 2 1 2183 69.63 + 2184 15 23.916000 27.449000 21.379000 145 " " N A 2 "ASN " " OD1" 8 0 2 1 2184 69.63 + 2185 25 25.814000 26.564000 20.580000 145 " " N A 2 "ASN " " ND2" 7 0 2 1 2185 69.63 + 2186 43 25.093000 22.598000 21.883000 145 " " N A 2 "ASN " " H " 1 0 2 1 2186 36.98 + 2187 41 22.635000 24.227000 21.579000 145 " " N A 2 "ASN " " HA " 1 0 2 1 2187 36.98 + 2188 41 25.444000 24.848000 22.423000 145 " " N A 2 "ASN " " HB3" 1 0 2 1 2188 69.63 + 2189 41 23.954000 25.452000 23.049000 145 " " N A 2 "ASN " " HB2" 1 0 2 1 2189 69.63 + 2190 43 26.024000 27.374000 20.018000 145 " " N A 2 "ASN " "HD22" 1 0 2 1 2190 69.63 + 2191 43 26.469000 25.791000 20.598000 145 " " N A 2 "ASN " "HD21" 1 0 2 1 2191 69.63 + 2192 25 22.945000 24.476000 19.081000 146 " " V A 2 "VAL " " N " 7 0 2 1 2192 39.26 + 2193 3 22.998000 24.544000 17.624000 146 " " V A 2 "VAL " " CA " 6 0 2 1 2193 39.26 + 2194 2 22.781000 25.992000 17.150000 146 " " V A 2 "VAL " " C " 6 0 2 1 2194 39.26 + 2195 15 21.905000 26.679000 17.678000 146 " " V A 2 "VAL " " O " 8 0 2 1 2195 21.28 + 2196 3 21.967000 23.588000 16.961000 146 " " V A 2 "VAL " " CB " 6 0 2 1 2196 21.28 + 2197 3 21.739000 23.825000 15.453000 146 " " V A 2 "VAL " " CG1" 6 0 2 1 2197 21.28 + 2198 3 22.390000 22.125000 17.181000 146 " " V A 2 "VAL " " CG2" 6 0 2 1 2198 21.28 + 2199 43 22.108000 24.846000 19.508000 146 " " V A 2 "VAL " " H " 1 0 2 1 2199 39.26 + 2200 41 23.981000 24.226000 17.302000 146 " " V A 2 "VAL " " HA " 1 0 2 1 2200 39.26 + 2201 41 21.004000 23.722000 17.455000 146 " " V A 2 "VAL " " HB " 1 0 2 1 2201 21.28 + 2202 41 21.171000 23.010000 15.008000 146 " " V A 2 "VAL " "HG11" 1 0 2 1 2202 21.28 + 2203 41 21.186000 24.744000 15.257000 146 " " V A 2 "VAL " "HG12" 1 0 2 1 2203 21.28 + 2204 41 22.687000 23.879000 14.916000 146 " " V A 2 "VAL " "HG13" 1 0 2 1 2204 21.28 + 2205 41 21.662000 21.439000 16.752000 146 " " V A 2 "VAL " "HG21" 1 0 2 1 2205 21.28 + 2206 41 23.358000 21.922000 16.724000 146 " " V A 2 "VAL " "HG22" 1 0 2 1 2206 21.28 + 2207 41 22.466000 21.881000 18.241000 146 " " V A 2 "VAL " "HG23" 1 0 2 1 2207 21.28 + 2208 25 23.592000 26.418000 16.166000 147 " " K A 2 "LYS " " N " 7 0 2 1 2208 72.46 + 2209 3 23.593000 27.771000 15.612000 147 " " K A 2 "LYS " " CA " 6 0 2 1 2209 72.46 + 2210 2 23.566000 27.726000 14.077000 147 " " K A 2 "LYS " " C " 6 0 2 1 2210 72.46 + 2211 15 24.565000 27.344000 13.471000 147 " " K A 2 "LYS " " O " 8 0 2 1 2211 40.07 + 2212 3 24.845000 28.538000 16.102000 147 " " K A 2 "LYS " " CB " 6 0 2 1 2212 40.07 + 2213 3 24.942000 28.717000 17.628000 147 " " K A 2 "LYS " " CG " 6 0 2 1 2213 40.07 + 2214 3 26.098000 29.653000 18.029000 147 " " K A 2 "LYS " " CD " 6 0 2 1 2214 40.07 + 2215 3 26.228000 29.926000 19.538000 147 " " K A 2 "LYS " " CE " 6 0 2 1 2215 40.07 + 2216 32 24.965000 30.371000 20.155000 147 " " K A 2 "LYS " " NZ " 7 1 2 1 2216 40.07 + 2217 43 24.293000 25.787000 15.798000 147 " " K A 2 "LYS " " H " 1 0 2 1 2217 72.46 + 2218 41 22.701000 28.303000 15.940000 147 " " K A 2 "LYS " " HA " 1 0 2 1 2218 72.46 + 2219 41 24.849000 29.524000 15.634000 147 " " K A 2 "LYS " " HB3" 1 0 2 1 2219 40.07 + 2220 41 25.751000 28.041000 15.754000 147 " " K A 2 "LYS " " HB2" 1 0 2 1 2220 40.07 + 2221 41 25.090000 27.744000 18.098000 147 " " K A 2 "LYS " " HG3" 1 0 2 1 2221 40.07 + 2222 41 23.994000 29.095000 18.007000 147 " " K A 2 "LYS " " HG2" 1 0 2 1 2222 40.07 + 2223 41 26.021000 30.600000 17.498000 147 " " K A 2 "LYS " " HD3" 1 0 2 1 2223 40.07 + 2224 41 27.034000 29.213000 17.681000 147 " " K A 2 "LYS " " HD2" 1 0 2 1 2224 40.07 + 2225 41 26.989000 30.689000 19.708000 147 " " K A 2 "LYS " " HE3" 1 0 2 1 2225 40.07 + 2226 41 26.572000 29.033000 20.056000 147 " " K A 2 "LYS " " HE2" 1 0 2 1 2226 40.07 + 2227 44 24.640000 31.219000 19.714000 147 " " K A 2 "LYS " " HZ1" 1 0 2 1 2227 40.07 + 2228 44 24.266000 29.646000 20.063000 147 " " K A 2 "LYS " " HZ2" 1 0 2 1 2228 40.07 + 2229 44 25.119000 30.548000 21.138000 147 " " K A 2 "LYS " " HZ3" 1 0 2 1 2229 40.07 + 2230 25 22.448000 28.169000 13.478000 148 " " W A 2 "TRP " " N " 7 0 2 1 2230 35.8 + 2231 3 22.321000 28.382000 12.033000 148 " " W A 2 "TRP " " CA " 6 0 2 1 2231 35.8 + 2232 2 22.919000 29.725000 11.603000 148 " " W A 2 "TRP " " C " 6 0 2 1 2232 35.8 + 2233 15 22.519000 30.747000 12.152000 148 " " W A 2 "TRP " " O " 8 0 2 1 2233 47.12 + 2234 3 20.843000 28.341000 11.620000 148 " " W A 2 "TRP " " CB " 6 0 2 1 2234 47.12 + 2235 2 20.250000 26.978000 11.498000 148 " " W A 2 "TRP " " CG " 6 0 2 1 2235 47.12 + 2236 2 19.418000 26.388000 12.380000 148 " " W A 2 "TRP " " CD1" 6 0 2 1 2236 47.12 + 2237 2 20.476000 26.001000 10.441000 148 " " W A 2 "TRP " " CD2" 6 0 2 1 2237 47.12 + 2238 25 19.048000 25.149000 11.899000 148 " " W A 2 "TRP " " NE1" 7 0 2 1 2238 47.12 + 2239 2 19.665000 24.858000 10.702000 148 " " W A 2 "TRP " " CE2" 6 0 2 1 2239 47.12 + 2240 2 21.275000 25.973000 9.274000 148 " " W A 2 "TRP " " CE3" 6 0 2 1 2240 47.12 + 2241 2 19.622000 23.757000 9.831000 148 " " W A 2 "TRP " " CZ2" 6 0 2 1 2241 47.12 + 2242 2 21.265000 24.862000 8.409000 148 " " W A 2 "TRP " " CZ3" 6 0 2 1 2242 47.12 + 2243 2 20.432000 23.759000 8.680000 148 " " W A 2 "TRP " " CH2" 6 0 2 1 2243 47.12 + 2244 43 21.662000 28.466000 14.037000 148 " " W A 2 "TRP " " H " 1 0 2 1 2244 35.8 + 2245 41 22.845000 27.591000 11.496000 148 " " W A 2 "TRP " " HA " 1 0 2 1 2245 35.8 + 2246 41 20.733000 28.790000 10.632000 148 " " W A 2 "TRP " " HB3" 1 0 2 1 2246 47.12 + 2247 41 20.232000 28.951000 12.289000 148 " " W A 2 "TRP " " HB2" 1 0 2 1 2247 47.12 + 2248 41 19.087000 26.849000 13.298000 148 " " W A 2 "TRP " " HD1" 1 0 2 1 2248 47.12 + 2249 43 18.443000 24.527000 12.421000 148 " " W A 2 "TRP " " HE1" 1 0 2 1 2249 47.12 + 2250 41 21.902000 26.821000 9.041000 148 " " W A 2 "TRP " " HE3" 1 0 2 1 2250 47.12 + 2251 41 18.977000 22.918000 10.044000 148 " " W A 2 "TRP " " HZ2" 1 0 2 1 2251 47.12 + 2252 41 21.884000 24.868000 7.525000 148 " " W A 2 "TRP " " HZ3" 1 0 2 1 2252 47.12 + 2253 41 20.410000 22.918000 8.002000 148 " " W A 2 "TRP " " HH2" 1 0 2 1 2253 47.12 + 2254 25 23.808000 29.683000 10.598000 149 " " K A 2 "LYS " " N " 7 0 2 1 2254 65.87 + 2255 3 24.460000 30.829000 9.967000 149 " " K A 2 "LYS " " CA " 6 0 2 1 2255 65.87 + 2256 2 24.177000 30.853000 8.462000 149 " " K A 2 "LYS " " C " 6 0 2 1 2256 65.87 + 2257 15 24.457000 29.872000 7.771000 149 " " K A 2 "LYS " " O " 8 0 2 1 2257 53.15 + 2258 3 25.968000 30.800000 10.276000 149 " " K A 2 "LYS " " CB " 6 0 2 1 2258 53.15 + 2259 3 26.302000 31.524000 11.592000 149 " " K A 2 "LYS " " CG " 6 0 2 1 2259 53.15 + 2260 3 27.804000 31.688000 11.857000 149 " " K A 2 "LYS " " CD " 6 0 2 1 2260 53.15 + 2261 3 28.541000 30.365000 12.077000 149 " " K A 2 "LYS " " CE " 6 0 2 1 2261 53.15 + 2262 32 29.979000 30.590000 12.296000 149 " " K A 2 "LYS " " NZ " 7 1 2 1 2262 53.15 + 2263 43 24.067000 28.782000 10.214000 149 " " K A 2 "LYS " " H " 1 0 2 1 2263 65.87 + 2264 41 24.053000 31.748000 10.373000 149 " " K A 2 "LYS " " HA " 1 0 2 1 2264 65.87 + 2265 41 26.511000 31.306000 9.478000 149 " " K A 2 "LYS " " HB3" 1 0 2 1 2265 53.15 + 2266 41 26.337000 29.774000 10.272000 149 " " K A 2 "LYS " " HB2" 1 0 2 1 2266 53.15 + 2267 41 25.827000 31.013000 12.431000 149 " " K A 2 "LYS " " HG3" 1 0 2 1 2267 53.15 + 2268 41 25.868000 32.523000 11.552000 149 " " K A 2 "LYS " " HG2" 1 0 2 1 2268 53.15 + 2269 41 27.937000 32.327000 12.731000 149 " " K A 2 "LYS " " HD3" 1 0 2 1 2269 53.15 + 2270 41 28.263000 32.220000 11.024000 149 " " K A 2 "LYS " " HD2" 1 0 2 1 2270 53.15 + 2271 41 28.429000 29.701000 11.221000 149 " " K A 2 "LYS " " HE3" 1 0 2 1 2271 53.15 + 2272 41 28.125000 29.851000 12.943000 149 " " K A 2 "LYS " " HE2" 1 0 2 1 2272 53.15 + 2273 44 30.416000 29.689000 12.473000 149 " " K A 2 "LYS " " HZ1" 1 0 2 1 2273 53.15 + 2274 44 30.394000 31.013000 11.479000 149 " " K A 2 "LYS " " HZ2" 1 0 2 1 2274 53.15 + 2275 44 30.116000 31.184000 13.100000 149 " " K A 2 "LYS " " HZ3" 1 0 2 1 2275 53.15 + 2276 25 23.637000 31.992000 8.000000 150 " " I A 2 "ILE " " N " 7 0 2 1 2276 52.43 + 2277 3 23.258000 32.246000 6.615000 150 " " I A 2 "ILE " " CA " 6 0 2 1 2277 52.43 + 2278 2 24.093000 33.440000 6.121000 150 " " I A 2 "ILE " " C " 6 0 2 1 2278 52.43 + 2279 15 23.800000 34.580000 6.485000 150 " " I A 2 "ILE " " O " 8 0 2 1 2279 58.86 + 2280 3 21.747000 32.602000 6.481000 150 " " I A 2 "ILE " " CB " 6 0 2 1 2280 58.86 + 2281 3 20.846000 31.523000 7.116000 150 " " I A 2 "ILE " " CG1" 6 0 2 1 2281 58.86 + 2282 3 21.359000 32.857000 5.007000 150 " " I A 2 "ILE " " CG2" 6 0 2 1 2282 58.86 + 2283 3 19.369000 31.921000 7.189000 150 " " I A 2 "ILE " " CD1" 6 0 2 1 2283 58.86 + 2284 43 23.488000 32.767000 8.633000 150 " " I A 2 "ILE " " H " 1 0 2 1 2284 52.43 + 2285 41 23.466000 31.374000 5.998000 150 " " I A 2 "ILE " " HA " 1 0 2 1 2285 52.43 + 2286 41 21.553000 33.523000 7.035000 150 " " I A 2 "ILE " " HB " 1 0 2 1 2286 58.86 + 2287 41 21.170000 31.308000 8.134000 150 " " I A 2 "ILE " "HG13" 1 0 2 1 2287 58.86 + 2288 41 20.957000 30.587000 6.574000 150 " " I A 2 "ILE " "HG12" 1 0 2 1 2288 58.86 + 2289 41 20.292000 33.035000 4.876000 150 " " I A 2 "ILE " "HG21" 1 0 2 1 2289 58.86 + 2290 41 21.868000 33.734000 4.614000 150 " " I A 2 "ILE " "HG22" 1 0 2 1 2290 58.86 + 2291 41 21.636000 32.015000 4.375000 150 " " I A 2 "ILE " "HG23" 1 0 2 1 2291 58.86 + 2292 41 18.760000 31.278000 6.565000 150 " " I A 2 "ILE " "HD11" 1 0 2 1 2292 58.86 + 2293 41 18.998000 31.823000 8.207000 150 " " I A 2 "ILE " "HD12" 1 0 2 1 2293 58.86 + 2294 41 19.194000 32.950000 6.877000 150 " " I A 2 "ILE " "HD13" 1 0 2 1 2294 58.86 + 2295 25 25.136000 33.147000 5.325000 151 " " D A 2 "ASP " " N " 7 0 0 1 2295 58.63 + 2296 3 26.139000 34.115000 4.859000 151 " " D A 2 "ASP " " CA " 6 0 0 1 2296 58.63 + 2297 2 26.924000 34.734000 6.026000 151 " " D A 2 "ASP " " C " 6 0 0 1 2297 58.63 + 2298 15 26.709000 35.891000 6.386000 151 " " D A 2 "ASP " " O " 8 0 0 1 2298 58.77 + 2299 3 25.624000 35.151000 3.824000 151 " " D A 2 "ASP " " CB " 6 0 0 1 2299 58.77 + 2300 2 25.073000 34.540000 2.527000 151 " " D A 2 "ASP " " CG " 6 0 0 1 2300 58.77 + 2301 15 25.323000 33.340000 2.269000 151 " " D A 2 "ASP " " OD1" 8 0 0 1 2301 58.77 + 2302 18 24.459000 35.311000 1.759000 151 " " D A 2 "ASP " " OD2" 8 -1 0 1 2302 58.77 + 2303 43 25.287000 32.188000 5.044000 151 " " D A 2 "ASP " " H " 1 0 0 1 2303 58.63 + 2304 41 26.894000 33.540000 4.330000 151 " " D A 2 "ASP " " HA " 1 0 0 1 2304 58.63 + 2305 41 26.437000 35.826000 3.553000 151 " " D A 2 "ASP " " HB3" 1 0 0 1 2305 58.77 + 2306 41 24.836000 35.749000 4.282000 151 " " D A 2 "ASP " " HB2" 1 0 0 1 2306 58.77 + 2307 25 27.828000 33.913000 6.587000 152 " " G A 2 "GLY " " N " 7 0 0 1 2307 42.54 + 2308 3 28.749000 34.294000 7.654000 152 " " G A 2 "GLY " " CA " 6 0 0 1 2308 42.54 + 2309 2 28.029000 34.410000 9.002000 152 " " G A 2 "GLY " " C " 6 0 0 1 2309 42.54 + 2310 15 26.992000 33.784000 9.222000 152 " " G A 2 "GLY " " O " 8 0 0 1 2310 24.41 + 2311 43 27.907000 32.970000 6.237000 152 " " G A 2 "GLY " " H " 1 0 0 1 2311 42.54 + 2312 41 29.238000 35.236000 7.401000 152 " " G A 2 "GLY " " HA3" 1 0 0 1 2312 42.54 + 2313 41 29.529000 33.538000 7.733000 152 " " G A 2 "GLY " " HA2" 1 0 0 1 2313 42.54 + 2314 25 28.626000 35.218000 9.898000 153 " " S A 2 "SER " " N " 7 0 0 1 2314 68.53 + 2315 3 28.209000 35.525000 11.274000 153 " " S A 2 "SER " " CA " 6 0 0 1 2315 68.53 + 2316 2 26.726000 35.893000 11.459000 153 " " S A 2 "SER " " C " 6 0 0 1 2316 68.53 + 2317 15 26.214000 35.681000 12.560000 153 " " S A 2 "SER " " O " 8 0 0 1 2317 73.44 + 2318 3 29.124000 36.647000 11.812000 153 " " S A 2 "SER " " CB " 6 0 0 1 2318 73.44 + 2319 16 28.823000 37.021000 13.144000 153 " " S A 2 "SER " " OG " 8 0 0 1 2319 73.44 + 2320 43 29.470000 35.691000 9.607000 153 " " S A 2 "SER " " H " 1 0 0 1 2320 68.53 + 2321 41 28.392000 34.628000 11.866000 153 " " S A 2 "SER " " HA " 1 0 0 1 2321 68.53 + 2322 41 29.040000 37.535000 11.184000 153 " " S A 2 "SER " " HB3" 1 0 0 1 2322 73.44 + 2323 41 30.168000 36.334000 11.777000 153 " " S A 2 "SER " " HB2" 1 0 0 1 2323 73.44 + 2324 42 27.960000 37.445000 13.154000 153 " " S A 2 "SER " " HG " 1 0 0 1 2324 73.44 + 2325 25 26.079000 36.404000 10.392000 154 " " E A 2 "GLU " " N " 7 0 0 1 2325 48.54 + 2326 3 24.639000 36.627000 10.266000 154 " " E A 2 "GLU " " CA " 6 0 0 1 2326 48.54 + 2327 2 23.871000 35.310000 10.446000 154 " " E A 2 "GLU " " C " 6 0 0 1 2327 48.54 + 2328 15 23.596000 34.584000 9.492000 154 " " E A 2 "GLU " " O " 8 0 0 1 2328 93.62 + 2329 3 24.320000 37.344000 8.930000 154 " " E A 2 "GLU " " CB " 6 0 0 1 2329 93.62 + 2330 3 24.141000 38.873000 9.053000 154 " " E A 2 "GLU " " CG " 6 0 0 1 2330 93.62 + 2331 2 25.389000 39.634000 9.511000 154 " " E A 2 "GLU " " CD " 6 0 0 1 2331 93.62 + 2332 15 25.760000 39.486000 10.696000 154 " " E A 2 "GLU " " OE1" 8 0 0 1 2332 93.62 + 2333 18 25.943000 40.371000 8.667000 154 " " E A 2 "GLU " " OE2" 8 -1 0 1 2333 93.62 + 2334 43 26.603000 36.552000 9.541000 154 " " E A 2 "GLU " " H " 1 0 0 1 2334 48.54 + 2335 41 24.330000 37.282000 11.083000 154 " " E A 2 "GLU " " HA " 1 0 0 1 2335 48.54 + 2336 41 23.406000 36.947000 8.487000 154 " " E A 2 "GLU " " HB3" 1 0 0 1 2336 93.62 + 2337 41 25.100000 37.135000 8.197000 154 " " E A 2 "GLU " " HB2" 1 0 0 1 2337 93.62 + 2338 41 23.330000 39.093000 9.748000 154 " " E A 2 "GLU " " HG3" 1 0 0 1 2338 93.62 + 2339 41 23.824000 39.272000 8.089000 154 " " E A 2 "GLU " " HG2" 1 0 0 1 2339 93.62 + 2340 25 23.591000 35.042000 11.723000 155 " " R A 2 "ARG " " N " 7 0 0 1 2340 22.8 + 2341 3 22.900000 33.881000 12.238000 155 " " R A 2 "ARG " " CA " 6 0 0 1 2341 22.8 + 2342 2 21.418000 34.214000 12.409000 155 " " R A 2 "ARG " " C " 6 0 0 1 2342 22.8 + 2343 15 21.035000 35.378000 12.269000 155 " " R A 2 "ARG " " O " 8 0 0 1 2343 95.24 + 2344 3 23.635000 33.435000 13.523000 155 " " R A 2 "ARG " " CB " 6 0 0 1 2344 95.24 + 2345 3 23.608000 34.401000 14.727000 155 " " R A 2 "ARG " " CG " 6 0 0 1 2345 95.24 + 2346 3 22.335000 34.327000 15.591000 155 " " R A 2 "ARG " " CD " 6 0 0 1 2346 95.24 + 2347 25 21.941000 32.955000 15.957000 155 " " R A 2 "ARG " " NE " 7 0 0 1 2347 95.24 + 2348 2 22.712000 31.975000 16.461000 155 " " R A 2 "ARG " " CZ " 6 0 0 1 2348 95.24 + 2349 25 24.005000 32.157000 16.756000 155 " " R A 2 "ARG " " NH1" 7 0 0 1 2349 95.24 + 2350 31 22.158000 30.778000 16.678000 155 " " R A 2 "ARG " " NH2" 7 1 0 1 2350 95.24 + 2351 43 23.897000 35.704000 12.421000 155 " " R A 2 "ARG " " H " 1 0 0 1 2351 22.8 + 2352 41 22.948000 33.093000 11.498000 155 " " R A 2 "ARG " " HA " 1 0 0 1 2352 22.8 + 2353 41 24.683000 33.302000 13.258000 155 " " R A 2 "ARG " " HB3" 1 0 0 1 2353 95.24 + 2354 41 23.311000 32.443000 13.831000 155 " " R A 2 "ARG " " HB2" 1 0 0 1 2354 95.24 + 2355 41 23.700000 35.414000 14.336000 155 " " R A 2 "ARG " " HG3" 1 0 0 1 2355 95.24 + 2356 41 24.490000 34.279000 15.354000 155 " " R A 2 "ARG " " HG2" 1 0 0 1 2356 95.24 + 2357 41 21.513000 34.921000 15.192000 155 " " R A 2 "ARG " " HD3" 1 0 0 1 2357 95.24 + 2358 41 22.581000 34.779000 16.553000 155 " " R A 2 "ARG " " HD2" 1 0 0 1 2358 95.24 + 2359 43 20.967000 32.743000 15.786000 155 " " R A 2 "ARG " " HE " 1 0 0 1 2359 95.24 + 2360 43 24.573000 31.390000 17.080000 155 " " R A 2 "ARG " "HH12" 1 0 0 1 2360 95.24 + 2361 43 24.429000 33.060000 16.601000 155 " " R A 2 "ARG " "HH11" 1 0 0 1 2361 95.24 + 2362 44 22.699000 30.016000 17.054000 155 " " R A 2 "ARG " "HH22" 1 0 0 1 2362 95.24 + 2363 44 21.181000 30.627000 16.463000 155 " " R A 2 "ARG " "HH21" 1 0 0 1 2363 95.24 + 2364 25 20.601000 33.183000 12.661000 156 " " Q A 2 "GLN " " N " 7 0 0 1 2364 69.39 + 2365 3 19.153000 33.326000 12.575000 156 " " Q A 2 "GLN " " CA " 6 0 0 1 2365 69.39 + 2366 2 18.345000 32.678000 13.700000 156 " " Q A 2 "GLN " " C " 6 0 0 1 2366 69.39 + 2367 15 18.852000 31.915000 14.524000 156 " " Q A 2 "GLN " " O " 8 0 0 1 2367 64.06 + 2368 3 18.668000 32.906000 11.163000 156 " " Q A 2 "GLN " " CB " 6 0 0 1 2368 64.06 + 2369 3 18.784000 34.048000 10.124000 156 " " Q A 2 "GLN " " CG " 6 0 0 1 2369 64.06 + 2370 2 17.640000 34.119000 9.105000 156 " " Q A 2 "GLN " " CD " 6 0 0 1 2370 64.06 + 2371 15 16.689000 33.340000 9.137000 156 " " Q A 2 "GLN " " OE1" 8 0 0 1 2371 64.06 + 2372 25 17.733000 35.078000 8.184000 156 " " Q A 2 "GLN " " NE2" 7 0 0 1 2372 64.06 + 2373 43 20.969000 32.246000 12.760000 156 " " Q A 2 "GLN " " H " 1 0 0 1 2373 69.39 + 2374 41 18.898000 34.379000 12.714000 156 " " Q A 2 "GLN " " HA " 1 0 0 1 2374 69.39 + 2375 41 17.636000 32.569000 11.224000 156 " " Q A 2 "GLN " " HB3" 1 0 0 1 2375 64.06 + 2376 41 19.219000 32.032000 10.812000 156 " " Q A 2 "GLN " " HB2" 1 0 0 1 2376 64.06 + 2377 41 19.740000 33.977000 9.602000 156 " " Q A 2 "GLN " " HG3" 1 0 0 1 2377 64.06 + 2378 41 18.788000 35.016000 10.624000 156 " " Q A 2 "GLN " " HG2" 1 0 0 1 2378 64.06 + 2379 43 16.993000 35.202000 7.497000 156 " " Q A 2 "GLN " "HE22" 1 0 0 1 2379 64.06 + 2380 43 18.523000 35.705000 8.171000 156 " " Q A 2 "GLN " "HE21" 1 0 0 1 2380 64.06 + 2381 25 17.067000 33.065000 13.644000 157 " " N A 2 "ASN " " N " 7 0 0 1 2381 72.68 + 2382 3 15.892000 32.567000 14.335000 157 " " N A 2 "ASN " " CA " 6 0 0 1 2382 72.68 + 2383 2 14.858000 32.157000 13.260000 157 " " N A 2 "ASN " " C " 6 0 0 1 2383 72.68 + 2384 15 15.068000 32.403000 12.070000 157 " " N A 2 "ASN " " O " 8 0 0 1 2384 101.24 + 2385 3 15.364000 33.658000 15.303000 157 " " N A 2 "ASN " " CB " 6 0 0 1 2385 101.24 + 2386 2 14.928000 34.973000 14.636000 157 " " N A 2 "ASN " " CG " 6 0 0 1 2386 101.24 + 2387 15 15.703000 35.613000 13.928000 157 " " N A 2 "ASN " " OD1" 8 0 0 1 2387 101.24 + 2388 25 13.683000 35.390000 14.872000 157 " " N A 2 "ASN " " ND2" 7 0 0 1 2388 101.24 + 2389 43 16.829000 33.727000 12.918000 157 " " N A 2 "ASN " " H " 1 0 0 1 2389 72.68 + 2390 41 16.155000 31.682000 14.913000 157 " " N A 2 "ASN " " HA " 1 0 0 1 2390 72.68 + 2391 41 16.138000 33.897000 16.033000 157 " " N A 2 "ASN " " HB3" 1 0 0 1 2391 101.24 + 2392 41 14.529000 33.254000 15.879000 157 " " N A 2 "ASN " " HB2" 1 0 0 1 2392 101.24 + 2393 43 13.356000 36.250000 14.457000 157 " " N A 2 "ASN " "HD22" 1 0 0 1 2393 101.24 + 2394 43 13.061000 34.855000 15.459000 157 " " N A 2 "ASN " "HD21" 1 0 0 1 2394 101.24 + 2395 25 13.768000 31.506000 13.691000 158 " " G A 2 "GLY " " N " 7 0 0 1 2395 34.26 + 2396 3 12.867000 30.777000 12.790000 158 " " G A 2 "GLY " " CA " 6 0 0 1 2396 34.26 + 2397 2 13.296000 29.301000 12.692000 158 " " G A 2 "GLY " " C " 6 0 0 1 2397 34.26 + 2398 15 12.761000 28.560000 11.867000 158 " " G A 2 "GLY " " O " 8 0 0 1 2398 19.47 + 2399 43 13.627000 31.371000 14.682000 158 " " G A 2 "GLY " " H " 1 0 0 1 2399 34.26 + 2400 41 12.830000 31.220000 11.793000 158 " " G A 2 "GLY " " HA3" 1 0 0 1 2400 34.26 + 2401 41 11.856000 30.824000 13.194000 158 " " G A 2 "GLY " " HA2" 1 0 0 1 2401 34.26 + 2402 25 14.251000 28.889000 13.544000 159 " " V A 2 "VAL " " N " 7 0 2 1 2402 23.8 + 2403 3 14.675000 27.521000 13.786000 159 " " V A 2 "VAL " " CA " 6 0 2 1 2403 23.8 + 2404 2 13.772000 26.839000 14.830000 159 " " V A 2 "VAL " " C " 6 0 2 1 2404 23.8 + 2405 15 13.464000 27.425000 15.868000 159 " " V A 2 "VAL " " O " 8 0 2 1 2405 16.79 + 2406 3 16.171000 27.453000 14.222000 159 " " V A 2 "VAL " " CB " 6 0 2 1 2406 16.79 + 2407 3 16.556000 28.445000 15.336000 159 " " V A 2 "VAL " " CG1" 6 0 2 1 2407 16.79 + 2408 3 16.636000 26.037000 14.618000 159 " " V A 2 "VAL " " CG2" 6 0 2 1 2408 16.79 + 2409 43 14.648000 29.570000 14.175000 159 " " V A 2 "VAL " " H " 1 0 2 1 2409 23.8 + 2410 41 14.589000 26.979000 12.852000 159 " " V A 2 "VAL " " HA " 1 0 2 1 2410 23.8 + 2411 41 16.756000 27.730000 13.344000 159 " " V A 2 "VAL " " HB " 1 0 2 1 2411 16.79 + 2412 41 17.612000 28.352000 15.592000 159 " " V A 2 "VAL " "HG11" 1 0 2 1 2412 16.79 + 2413 41 16.400000 29.475000 15.023000 159 " " V A 2 "VAL " "HG12" 1 0 2 1 2413 16.79 + 2414 41 15.984000 28.278000 16.248000 159 " " V A 2 "VAL " "HG13" 1 0 2 1 2414 16.79 + 2415 41 17.705000 26.015000 14.824000 159 " " V A 2 "VAL " "HG21" 1 0 2 1 2415 16.79 + 2416 41 16.144000 25.679000 15.522000 159 " " V A 2 "VAL " "HG22" 1 0 2 1 2416 16.79 + 2417 41 16.437000 25.320000 13.822000 159 " " V A 2 "VAL " "HG23" 1 0 2 1 2417 16.79 + 2418 25 13.403000 25.590000 14.518000 160 " " L A 2 "LEU " " N " 7 0 2 1 2418 30.59 + 2419 3 12.740000 24.636000 15.402000 160 " " L A 2 "LEU " " CA " 6 0 2 1 2419 30.59 + 2420 2 13.760000 23.552000 15.756000 160 " " L A 2 "LEU " " C " 6 0 2 1 2420 30.59 + 2421 15 14.477000 23.097000 14.867000 160 " " L A 2 "LEU " " O " 8 0 2 1 2421 31.37 + 2422 3 11.550000 24.000000 14.647000 160 " " L A 2 "LEU " " CB " 6 0 2 1 2422 31.37 + 2423 3 10.196000 24.705000 14.850000 160 " " L A 2 "LEU " " CG " 6 0 2 1 2423 31.37 + 2424 3 10.241000 26.226000 14.648000 160 " " L A 2 "LEU " " CD1" 6 0 2 1 2424 31.37 + 2425 3 9.113000 24.037000 13.982000 160 " " L A 2 "LEU " " CD2" 6 0 2 1 2425 31.37 + 2426 43 13.681000 25.216000 13.620000 160 " " L A 2 "LEU " " H " 1 0 2 1 2426 30.59 + 2427 41 12.395000 25.113000 16.322000 160 " " L A 2 "LEU " " HA " 1 0 2 1 2427 30.59 + 2428 41 11.416000 22.966000 14.974000 160 " " L A 2 "LEU " " HB3" 1 0 2 1 2428 31.37 + 2429 41 11.782000 23.936000 13.582000 160 " " L A 2 "LEU " " HB2" 1 0 2 1 2429 31.37 + 2430 41 9.917000 24.558000 15.891000 160 " " L A 2 "LEU " " HG " 1 0 2 1 2430 31.37 + 2431 41 9.234000 26.638000 14.607000 160 " " L A 2 "LEU " "HD11" 1 0 2 1 2431 31.37 + 2432 41 10.742000 26.723000 15.478000 160 " " L A 2 "LEU " "HD12" 1 0 2 1 2432 31.37 + 2433 41 10.760000 26.495000 13.727000 160 " " L A 2 "LEU " "HD13" 1 0 2 1 2433 31.37 + 2434 41 8.223000 23.804000 14.567000 160 " " L A 2 "LEU " "HD21" 1 0 2 1 2434 31.37 + 2435 41 8.806000 24.674000 13.155000 160 " " L A 2 "LEU " "HD22" 1 0 2 1 2435 31.37 + 2436 41 9.458000 23.100000 13.543000 160 " " L A 2 "LEU " "HD23" 1 0 2 1 2436 31.37 + 2437 25 13.780000 23.142000 17.032000 161 " " N A 2 "ASN " " N " 7 0 2 1 2437 27.04 + 2438 3 14.655000 22.090000 17.554000 161 " " N A 2 "ASN " " CA " 6 0 2 1 2438 27.04 + 2439 2 13.807000 21.027000 18.258000 161 " " N A 2 "ASN " " C " 6 0 2 1 2439 27.04 + 2440 15 12.820000 21.359000 18.917000 161 " " N A 2 "ASN " " O " 8 0 2 1 2440 29.7 + 2441 3 15.690000 22.710000 18.520000 161 " " N A 2 "ASN " " CB " 6 0 2 1 2441 29.7 + 2442 2 16.795000 23.520000 17.831000 161 " " N A 2 "ASN " " CG " 6 0 2 1 2442 29.7 + 2443 15 17.085000 23.337000 16.652000 161 " " N A 2 "ASN " " OD1" 8 0 2 1 2443 29.7 + 2444 25 17.450000 24.409000 18.578000 161 " " N A 2 "ASN " " ND2" 7 0 2 1 2444 29.7 + 2445 43 13.133000 23.542000 17.697000 161 " " N A 2 "ASN " " H " 1 0 2 1 2445 27.04 + 2446 41 15.182000 21.626000 16.723000 161 " " N A 2 "ASN " " HA " 1 0 2 1 2446 27.04 + 2447 41 16.190000 21.911000 19.066000 161 " " N A 2 "ASN " " HB3" 1 0 2 1 2447 29.7 + 2448 41 15.189000 23.322000 19.272000 161 " " N A 2 "ASN " " HB2" 1 0 2 1 2448 29.7 + 2449 43 18.193000 24.960000 18.173000 161 " " N A 2 "ASN " "HD22" 1 0 2 1 2449 29.7 + 2450 43 17.205000 24.545000 19.548000 161 " " N A 2 "ASN " "HD21" 1 0 2 1 2450 29.7 + 2451 25 14.233000 19.764000 18.108000 162 " " S A 2 "SER " " N " 7 0 2 1 2451 11.5 + 2452 3 13.549000 18.599000 18.652000 162 " " S A 2 "SER " " CA " 6 0 2 1 2452 11.5 + 2453 2 14.562000 17.475000 18.888000 162 " " S A 2 "SER " " C " 6 0 2 1 2453 11.5 + 2454 15 15.197000 17.025000 17.936000 162 " " S A 2 "SER " " O " 8 0 2 1 2454 29.57 + 2455 3 12.426000 18.167000 17.689000 162 " " S A 2 "SER " " CB " 6 0 2 1 2455 29.57 + 2456 16 11.708000 17.076000 18.219000 162 " " S A 2 "SER " " OG " 8 0 2 1 2456 29.57 + 2457 43 15.045000 19.573000 17.536000 162 " " S A 2 "SER " " H " 1 0 2 1 2457 11.5 + 2458 41 13.102000 18.866000 19.613000 162 " " S A 2 "SER " " HA " 1 0 2 1 2458 11.5 + 2459 41 12.831000 17.885000 16.716000 162 " " S A 2 "SER " " HB3" 1 0 2 1 2459 29.57 + 2460 41 11.734000 18.985000 17.512000 162 " " S A 2 "SER " " HB2" 1 0 2 1 2460 29.57 + 2461 42 10.888000 16.969000 17.723000 162 " " S A 2 "SER " " HG " 1 0 2 1 2461 29.57 + 2462 25 14.656000 17.029000 20.148000 163 " " W A 2 "TRP " " N " 7 0 2 1 2462 2.48 + 2463 3 15.413000 15.852000 20.557000 163 " " W A 2 "TRP " " CA " 6 0 2 1 2463 2.48 + 2464 2 14.497000 14.627000 20.563000 163 " " W A 2 "TRP " " C " 6 0 2 1 2464 2.48 + 2465 15 13.337000 14.731000 20.963000 163 " " W A 2 "TRP " " O " 8 0 2 1 2465 18.27 + 2466 3 15.976000 16.053000 21.979000 163 " " W A 2 "TRP " " CB " 6 0 2 1 2466 18.27 + 2467 2 17.125000 17.002000 22.133000 163 " " W A 2 "TRP " " CG " 6 0 2 1 2467 18.27 + 2468 2 18.402000 16.629000 22.379000 163 " " W A 2 "TRP " " CD1" 6 0 2 1 2468 18.27 + 2469 2 17.144000 18.461000 22.044000 163 " " W A 2 "TRP " " CD2" 6 0 2 1 2469 18.27 + 2470 25 19.197000 17.749000 22.490000 163 " " W A 2 "TRP " " NE1" 7 0 2 1 2470 18.27 + 2471 2 18.479000 18.907000 22.282000 163 " " W A 2 "TRP " " CE2" 6 0 2 1 2471 18.27 + 2472 2 16.171000 19.460000 21.798000 163 " " W A 2 "TRP " " CE3" 6 0 2 1 2472 18.27 + 2473 2 18.830000 20.269000 22.275000 163 " " W A 2 "TRP " " CZ2" 6 0 2 1 2473 18.27 + 2474 2 16.513000 20.827000 21.776000 163 " " W A 2 "TRP " " CZ3" 6 0 2 1 2474 18.27 + 2475 2 17.840000 21.233000 22.014000 163 " " W A 2 "TRP " " CH2" 6 0 2 1 2475 18.27 + 2476 43 14.075000 17.444000 20.861000 163 " " W A 2 "TRP " " H " 1 0 2 1 2476 2.48 + 2477 41 16.243000 15.669000 19.875000 163 " " W A 2 "TRP " " HA " 1 0 2 1 2477 2.48 + 2478 41 16.325000 15.095000 22.367000 163 " " W A 2 "TRP " " HB3" 1 0 2 1 2478 18.27 + 2479 41 15.182000 16.369000 22.657000 163 " " W A 2 "TRP " " HB2" 1 0 2 1 2479 18.27 + 2480 41 18.730000 15.607000 22.498000 163 " " W A 2 "TRP " " HD1" 1 0 2 1 2480 18.27 + 2481 43 20.179000 17.697000 22.729000 163 " " W A 2 "TRP " " HE1" 1 0 2 1 2481 18.27 + 2482 41 15.144000 19.178000 21.629000 163 " " W A 2 "TRP " " HE3" 1 0 2 1 2482 18.27 + 2483 41 19.847000 20.573000 22.465000 163 " " W A 2 "TRP " " HZ2" 1 0 2 1 2483 18.27 + 2484 41 15.751000 21.567000 21.582000 163 " " W A 2 "TRP " " HZ3" 1 0 2 1 2484 18.27 + 2485 41 18.098000 22.281000 22.000000 163 " " W A 2 "TRP " " HH2" 1 0 2 1 2485 18.27 + 2486 25 15.078000 13.467000 20.228000 164 " " T A 2 "THR " " N " 7 0 0 1 2486 17.2 + 2487 3 14.543000 12.167000 20.625000 164 " " T A 2 "THR " " CA " 6 0 0 1 2487 17.2 + 2488 2 14.874000 11.909000 22.111000 164 " " T A 2 "THR " " C " 6 0 0 1 2488 17.2 + 2489 15 15.791000 12.525000 22.660000 164 " " T A 2 "THR " " O " 8 0 0 1 2489 8.98 + 2490 3 15.172000 11.017000 19.782000 164 " " T A 2 "THR " " CB " 6 0 0 1 2490 8.98 + 2491 16 16.550000 10.806000 20.044000 164 " " T A 2 "THR " " OG1" 8 0 0 1 2491 8.98 + 2492 3 14.981000 11.191000 18.273000 164 " " T A 2 "THR " " CG2" 6 0 0 1 2492 8.98 + 2493 43 16.037000 13.460000 19.903000 164 " " T A 2 "THR " " H " 1 0 0 1 2493 17.2 + 2494 41 13.459000 12.157000 20.492000 164 " " T A 2 "THR " " HA " 1 0 0 1 2494 17.2 + 2495 41 14.667000 10.089000 20.056000 164 " " T A 2 "THR " " HB " 1 0 0 1 2495 8.98 + 2496 42 16.629000 10.384000 20.907000 164 " " T A 2 "THR " " HG1" 1 0 0 1 2496 8.98 + 2497 41 15.321000 10.311000 17.726000 164 " " T A 2 "THR " "HG21" 1 0 0 1 2497 8.98 + 2498 41 13.934000 11.357000 18.020000 164 " " T A 2 "THR " "HG22" 1 0 0 1 2498 8.98 + 2499 41 15.556000 12.040000 17.917000 164 " " T A 2 "THR " "HG23" 1 0 0 1 2499 8.98 + 2500 25 14.171000 10.940000 22.716000 165 " " D A 2 "ASP " " N " 7 0 0 1 2500 13.34 + 2501 3 14.651000 10.262000 23.923000 165 " " D A 2 "ASP " " CA " 6 0 0 1 2501 13.34 + 2502 2 15.886000 9.406000 23.626000 165 " " D A 2 "ASP " " C " 6 0 0 1 2502 13.34 + 2503 15 16.206000 9.144000 22.463000 165 " " D A 2 "ASP " " O " 8 0 0 1 2503 72.59 + 2504 3 13.568000 9.412000 24.631000 165 " " D A 2 "ASP " " CB " 6 0 0 1 2504 72.59 + 2505 2 12.552000 10.235000 25.424000 165 " " D A 2 "ASP " " CG " 6 0 0 1 2505 72.59 + 2506 15 12.010000 11.212000 24.866000 165 " " D A 2 "ASP " " OD1" 8 0 0 1 2506 72.59 + 2507 18 12.305000 9.843000 26.586000 165 " " D A 2 "ASP " " OD2" 8 -1 0 1 2507 72.59 + 2508 43 13.404000 10.494000 22.236000 165 " " D A 2 "ASP " " H " 1 0 0 1 2508 13.34 + 2509 41 14.973000 11.034000 24.626000 165 " " D A 2 "ASP " " HA " 1 0 0 1 2509 13.34 + 2510 41 14.022000 8.702000 25.325000 165 " " D A 2 "ASP " " HB3" 1 0 0 1 2510 72.59 + 2511 41 13.026000 8.805000 23.905000 165 " " D A 2 "ASP " " HB2" 1 0 0 1 2511 72.59 + 2512 25 16.536000 8.960000 24.709000 166 " " Q A 2 "GLN " " N " 7 0 0 1 2512 2.48 + 2513 3 17.579000 7.946000 24.674000 166 " " Q A 2 "GLN " " CA " 6 0 0 1 2513 2.48 + 2514 2 17.167000 6.708000 23.881000 166 " " Q A 2 "GLN " " C " 6 0 0 1 2514 2.48 + 2515 15 16.112000 6.132000 24.158000 166 " " Q A 2 "GLN " " O " 8 0 0 1 2515 9.42 + 2516 3 17.927000 7.509000 26.101000 166 " " Q A 2 "GLN " " CB " 6 0 0 1 2516 9.42 + 2517 3 19.209000 8.157000 26.625000 166 " " Q A 2 "GLN " " CG " 6 0 0 1 2517 9.42 + 2518 2 19.922000 7.333000 27.687000 166 " " Q A 2 "GLN " " CD " 6 0 0 1 2518 9.42 + 2519 15 19.889000 6.104000 27.680000 166 " " Q A 2 "GLN " " OE1" 8 0 0 1 2519 9.42 + 2520 25 20.605000 8.028000 28.586000 166 " " Q A 2 "GLN " " NE2" 7 0 0 1 2520 9.42 + 2521 43 16.212000 9.228000 25.627000 166 " " Q A 2 "GLN " " H " 1 0 0 1 2521 2.48 + 2522 41 18.442000 8.405000 24.194000 166 " " Q A 2 "GLN " " HA " 1 0 0 1 2522 2.48 + 2523 41 18.025000 6.422000 26.141000 166 " " Q A 2 "GLN " " HB3" 1 0 0 1 2523 9.42 + 2524 41 17.094000 7.749000 26.760000 166 " " Q A 2 "GLN " " HB2" 1 0 0 1 2524 9.42 + 2525 41 18.948000 9.123000 27.038000 166 " " Q A 2 "GLN " " HG3" 1 0 0 1 2525 9.42 + 2526 41 19.927000 8.326000 25.822000 166 " " Q A 2 "GLN " " HG2" 1 0 0 1 2526 9.42 + 2527 43 21.178000 7.559000 29.279000 166 " " Q A 2 "GLN " "HE22" 1 0 0 1 2527 9.42 + 2528 43 20.607000 9.037000 28.561000 166 " " Q A 2 "GLN " "HE21" 1 0 0 1 2528 9.42 + 2529 25 18.044000 6.315000 22.952000 167 " " D A 2 "ASP " " N " 7 0 0 1 2529 4.91 + 2530 3 17.940000 5.062000 22.226000 167 " " D A 2 "ASP " " CA " 6 0 0 1 2530 4.91 + 2531 2 18.022000 3.888000 23.216000 167 " " D A 2 "ASP " " C " 6 0 0 1 2531 4.91 + 2532 15 18.872000 3.882000 24.107000 167 " " D A 2 "ASP " " O " 8 0 0 1 2532 13.93 + 2533 3 19.030000 4.961000 21.147000 167 " " D A 2 "ASP " " CB " 6 0 0 1 2533 13.93 + 2534 2 18.951000 3.670000 20.327000 167 " " D A 2 "ASP " " CG " 6 0 0 1 2534 13.93 + 2535 15 17.881000 3.442000 19.723000 167 " " D A 2 "ASP " " OD1" 8 0 0 1 2535 13.93 + 2536 18 19.951000 2.923000 20.338000 167 " " D A 2 "ASP " " OD2" 8 -1 0 1 2536 13.93 + 2537 43 18.875000 6.866000 22.778000 167 " " D A 2 "ASP " " H " 1 0 0 1 2537 4.91 + 2538 41 16.965000 5.052000 21.735000 167 " " D A 2 "ASP " " HA " 1 0 0 1 2538 4.91 + 2539 41 19.992000 5.010000 21.650000 167 " " D A 2 "ASP " " HB3" 1 0 0 1 2539 13.93 + 2540 41 19.007000 5.813000 20.467000 167 " " D A 2 "ASP " " HB2" 1 0 0 1 2540 13.93 + 2541 25 17.131000 2.914000 23.011000 168 " " S A 2 "SER " " N " 7 0 0 1 2541 2.48 + 2542 3 17.022000 1.713000 23.829000 168 " " S A 2 "SER " " CA " 6 0 0 1 2542 2.48 + 2543 2 18.153000 0.688000 23.593000 168 " " S A 2 "SER " " C " 6 0 0 1 2543 2.48 + 2544 15 18.080000 -0.386000 24.186000 168 " " S A 2 "SER " " O " 8 0 0 1 2544 62.71 + 2545 3 15.626000 1.101000 23.594000 168 " " S A 2 "SER " " CB " 6 0 0 1 2545 62.71 + 2546 16 14.635000 1.912000 24.197000 168 " " S A 2 "SER " " OG " 8 0 0 1 2546 62.71 + 2547 43 16.495000 2.985000 22.230000 168 " " S A 2 "SER " " H " 1 0 0 1 2547 2.48 + 2548 41 17.094000 2.002000 24.879000 168 " " S A 2 "SER " " HA " 1 0 0 1 2548 2.48 + 2549 41 15.544000 0.110000 24.041000 168 " " S A 2 "SER " " HB3" 1 0 0 1 2549 62.71 + 2550 41 15.414000 0.988000 22.530000 168 " " S A 2 "SER " " HB2" 1 0 0 1 2550 62.71 + 2551 42 14.600000 2.747000 23.722000 168 " " S A 2 "SER " " HG " 1 0 0 1 2551 62.71 + 2552 25 19.165000 1.005000 22.759000 169 " " K A 2 "LYS " " N " 7 0 0 1 2552 11.28 + 2553 3 20.220000 0.061000 22.396000 169 " " K A 2 "LYS " " CA " 6 0 0 1 2553 11.28 + 2554 2 21.651000 0.614000 22.551000 169 " " K A 2 "LYS " " C " 6 0 0 1 2554 11.28 + 2555 15 22.519000 -0.184000 22.908000 169 " " K A 2 "LYS " " O " 8 0 0 1 2555 41.64 + 2556 3 19.948000 -0.500000 20.987000 169 " " K A 2 "LYS " " CB " 6 0 0 1 2556 41.64 + 2557 3 20.533000 -1.908000 20.809000 169 " " K A 2 "LYS " " CG " 6 0 0 1 2557 41.64 + 2558 3 20.261000 -2.515000 19.431000 169 " " K A 2 "LYS " " CD " 6 0 0 1 2558 41.64 + 2559 3 20.672000 -3.992000 19.384000 169 " " K A 2 "LYS " " CE " 6 0 0 1 2559 41.64 + 2560 32 20.547000 -4.542000 18.026000 169 " " K A 2 "LYS " " NZ " 7 1 0 1 2560 41.64 + 2561 43 19.175000 1.897000 22.282000 169 " " K A 2 "LYS " " H " 1 0 0 1 2561 11.28 + 2562 41 20.190000 -0.782000 23.088000 169 " " K A 2 "LYS " " HA " 1 0 0 1 2562 11.28 + 2563 41 20.308000 0.185000 20.217000 169 " " K A 2 "LYS " " HB3" 1 0 0 1 2563 41.64 + 2564 41 18.870000 -0.581000 20.834000 169 " " K A 2 "LYS " " HB2" 1 0 0 1 2564 41.64 + 2565 41 20.114000 -2.562000 21.575000 169 " " K A 2 "LYS " " HG3" 1 0 0 1 2565 41.64 + 2566 41 21.609000 -1.888000 20.982000 169 " " K A 2 "LYS " " HG2" 1 0 0 1 2566 41.64 + 2567 41 20.813000 -1.950000 18.678000 169 " " K A 2 "LYS " " HD3" 1 0 0 1 2567 41.64 + 2568 41 19.204000 -2.412000 19.181000 169 " " K A 2 "LYS " " HD2" 1 0 0 1 2568 41.64 + 2569 41 20.052000 -4.579000 20.064000 169 " " K A 2 "LYS " " HE3" 1 0 0 1 2569 41.64 + 2570 41 21.707000 -4.109000 19.708000 169 " " K A 2 "LYS " " HE2" 1 0 0 1 2570 41.64 + 2571 44 19.590000 -4.456000 17.714000 169 " " K A 2 "LYS " " HZ1" 1 0 0 1 2571 41.64 + 2572 44 21.152000 -4.031000 17.399000 169 " " K A 2 "LYS " " HZ2" 1 0 0 1 2572 41.64 + 2573 44 20.813000 -5.516000 18.031000 169 " " K A 2 "LYS " " HZ3" 1 0 0 1 2573 41.64 + 2574 25 21.892000 1.922000 22.329000 170 " " D A 2 "ASP " " N " 7 0 0 1 2574 2.48 + 2575 3 23.218000 2.532000 22.539000 170 " " D A 2 "ASP " " CA " 6 0 0 1 2575 2.48 + 2576 2 23.209000 3.619000 23.632000 170 " " D A 2 "ASP " " C " 6 0 0 1 2576 2.48 + 2577 15 24.288000 4.071000 24.004000 170 " " D A 2 "ASP " " O " 8 0 0 1 2577 47.8 + 2578 3 23.901000 3.042000 21.238000 170 " " D A 2 "ASP " " CB " 6 0 0 1 2578 47.8 + 2579 2 23.210000 4.167000 20.461000 170 " " D A 2 "ASP " " CG " 6 0 0 1 2579 47.8 + 2580 15 22.301000 4.814000 21.021000 170 " " D A 2 "ASP " " OD1" 8 0 0 1 2580 47.8 + 2581 18 23.689000 4.442000 19.341000 170 " " D A 2 "ASP " " OD2" 8 -1 0 1 2581 47.8 + 2582 43 21.169000 2.521000 21.948000 170 " " D A 2 "ASP " " H " 1 0 0 1 2582 2.48 + 2583 41 23.903000 1.784000 22.941000 170 " " D A 2 "ASP " " HA " 1 0 0 1 2583 2.48 + 2584 41 23.992000 2.191000 20.562000 170 " " D A 2 "ASP " " HB3" 1 0 0 1 2584 47.8 + 2585 41 24.913000 3.375000 21.473000 170 " " D A 2 "ASP " " HB2" 1 0 0 1 2585 47.8 + 2586 25 22.028000 4.028000 24.129000 171 " " S A 2 "SER " " N " 7 0 0 1 2586 44.37 + 2587 3 21.845000 5.041000 25.178000 171 " " S A 2 "SER " " CA " 6 0 0 1 2587 44.37 + 2588 2 22.247000 6.477000 24.759000 171 " " S A 2 "SER " " C " 6 0 0 1 2588 44.37 + 2589 15 22.510000 7.304000 25.631000 171 " " S A 2 "SER " " O " 8 0 0 1 2589 5.61 + 2590 3 22.514000 4.586000 26.504000 171 " " S A 2 "SER " " CB " 6 0 0 1 2590 5.61 + 2591 16 21.876000 3.428000 27.001000 171 " " S A 2 "SER " " OG " 8 0 0 1 2591 5.61 + 2592 43 21.178000 3.612000 23.776000 171 " " S A 2 "SER " " H " 1 0 0 1 2592 44.37 + 2593 41 20.772000 5.101000 25.355000 171 " " S A 2 "SER " " HA " 1 0 0 1 2593 44.37 + 2594 41 22.433000 5.355000 27.273000 171 " " S A 2 "SER " " HB3" 1 0 0 1 2594 5.61 + 2595 41 23.579000 4.387000 26.395000 171 " " S A 2 "SER " " HB2" 1 0 0 1 2595 5.61 + 2596 42 20.993000 3.671000 27.293000 171 " " S A 2 "SER " " HG " 1 0 0 1 2596 5.61 + 2597 25 22.277000 6.757000 23.443000 172 " " T A 2 "THR " " N " 7 0 0 1 2597 6.12 + 2598 3 22.592000 8.072000 22.874000 172 " " T A 2 "THR " " CA " 6 0 0 1 2598 6.12 + 2599 2 21.311000 8.812000 22.443000 172 " " T A 2 "THR " " C " 6 0 0 1 2599 6.12 + 2600 15 20.230000 8.226000 22.400000 172 " " T A 2 "THR " " O " 8 0 0 1 2600 2.48 + 2601 3 23.517000 7.949000 21.629000 172 " " T A 2 "THR " " CB " 6 0 0 1 2601 2.48 + 2602 16 22.858000 7.445000 20.483000 172 " " T A 2 "THR " " OG1" 8 0 0 1 2602 2.48 + 2603 3 24.809000 7.166000 21.884000 172 " " T A 2 "THR " " CG2" 6 0 0 1 2603 2.48 + 2604 43 22.055000 6.031000 22.773000 172 " " T A 2 "THR " " H " 1 0 0 1 2604 6.12 + 2605 41 23.104000 8.691000 23.612000 172 " " T A 2 "THR " " HA " 1 0 0 1 2605 6.12 + 2606 41 23.832000 8.952000 21.346000 172 " " T A 2 "THR " " HB " 1 0 0 1 2606 2.48 + 2607 42 22.672000 6.504000 20.615000 172 " " T A 2 "THR " " HG1" 1 0 0 1 2607 2.48 + 2608 41 25.423000 7.119000 20.985000 172 " " T A 2 "THR " "HG21" 1 0 0 1 2608 2.48 + 2609 41 25.395000 7.660000 22.657000 172 " " T A 2 "THR " "HG22" 1 0 0 1 2609 2.48 + 2610 41 24.616000 6.144000 22.208000 172 " " T A 2 "THR " "HG23" 1 0 0 1 2610 2.48 + 2611 25 21.482000 10.102000 22.126000 173 " " Y A 2 "TYR " " N " 7 0 2 1 2611 20.12 + 2612 3 20.435000 11.013000 21.686000 173 " " Y A 2 "TYR " " CA " 6 0 2 1 2612 20.12 + 2613 2 20.674000 11.433000 20.242000 173 " " Y A 2 "TYR " " C " 6 0 2 1 2613 20.12 + 2614 15 21.819000 11.631000 19.840000 173 " " Y A 2 "TYR " " O " 8 0 2 1 2614 17.61 + 2615 3 20.479000 12.269000 22.568000 173 " " Y A 2 "TYR " " CB " 6 0 2 1 2615 17.61 + 2616 2 20.162000 11.988000 24.016000 173 " " Y A 2 "TYR " " CG " 6 0 2 1 2616 17.61 + 2617 2 21.201000 11.779000 24.945000 173 " " Y A 2 "TYR " " CD1" 6 0 2 1 2617 17.61 + 2618 2 18.818000 11.927000 24.427000 173 " " Y A 2 "TYR " " CD2" 6 0 2 1 2618 17.61 + 2619 2 20.892000 11.571000 26.301000 173 " " Y A 2 "TYR " " CE1" 6 0 2 1 2619 17.61 + 2620 2 18.510000 11.717000 25.780000 173 " " Y A 2 "TYR " " CE2" 6 0 2 1 2620 17.61 + 2621 2 19.546000 11.578000 26.719000 173 " " Y A 2 "TYR " " CZ " 6 0 2 1 2621 17.61 + 2622 16 19.226000 11.472000 28.037000 173 " " Y A 2 "TYR " " OH " 8 0 2 1 2622 17.61 + 2623 43 22.411000 10.504000 22.171000 173 " " Y A 2 "TYR " " H " 1 0 2 1 2623 20.12 + 2624 41 19.450000 10.549000 21.770000 173 " " Y A 2 "TYR " " HA " 1 0 2 1 2624 20.12 + 2625 41 19.760000 13.007000 22.206000 173 " " Y A 2 "TYR " " HB3" 1 0 2 1 2625 17.61 + 2626 41 21.457000 12.753000 22.504000 173 " " Y A 2 "TYR " " HB2" 1 0 2 1 2626 17.61 + 2627 41 22.233000 11.810000 24.627000 173 " " Y A 2 "TYR " " HD1" 1 0 2 1 2627 17.61 + 2628 41 18.026000 12.060000 23.708000 173 " " Y A 2 "TYR " " HD2" 1 0 2 1 2628 17.61 + 2629 41 21.684000 11.463000 27.024000 173 " " Y A 2 "TYR " " HE1" 1 0 2 1 2629 17.61 + 2630 41 17.478000 11.699000 26.099000 173 " " Y A 2 "TYR " " HE2" 1 0 2 1 2630 17.61 + 2631 42 19.978000 11.483000 28.644000 173 " " Y A 2 "TYR " " HH " 1 0 2 1 2631 17.61 + 2632 25 19.568000 11.652000 19.528000 174 " " S A 2 "SER " " N " 7 0 2 1 2632 9.08 + 2633 3 19.551000 12.304000 18.229000 174 " " S A 2 "SER " " CA " 6 0 2 1 2633 9.08 + 2634 2 18.752000 13.606000 18.356000 174 " " S A 2 "SER " " C " 6 0 2 1 2634 9.08 + 2635 15 17.870000 13.711000 19.210000 174 " " S A 2 "SER " " O " 8 0 2 1 2635 36.76 + 2636 3 18.932000 11.337000 17.203000 174 " " S A 2 "SER " " CB " 6 0 2 1 2636 36.76 + 2637 16 19.839000 10.286000 16.942000 174 " " S A 2 "SER " " OG " 8 0 2 1 2637 36.76 + 2638 43 18.660000 11.463000 19.931000 174 " " S A 2 "SER " " H " 1 0 2 1 2638 9.08 + 2639 41 20.559000 12.573000 17.919000 174 " " S A 2 "SER " " HA " 1 0 2 1 2639 9.08 + 2640 41 18.744000 11.844000 16.258000 174 " " S A 2 "SER " " HB3" 1 0 2 1 2640 36.76 + 2641 41 17.981000 10.931000 17.549000 174 " " S A 2 "SER " " HB2" 1 0 2 1 2641 36.76 + 2642 42 19.361000 9.549000 16.549000 174 " " S A 2 "SER " " HG " 1 0 2 1 2642 36.76 + 2643 25 19.070000 14.571000 17.485000 175 " " M A 2 "MET " " N " 7 0 2 1 2643 2.48 + 2644 3 18.429000 15.880000 17.424000 175 " " M A 2 "MET " " CA " 6 0 2 1 2644 2.48 + 2645 2 18.153000 16.251000 15.961000 175 " " M A 2 "MET " " C " 6 0 2 1 2645 2.48 + 2646 15 18.714000 15.645000 15.046000 175 " " M A 2 "MET " " O " 8 0 2 1 2646 46.25 + 2647 3 19.313000 16.886000 18.197000 175 " " M A 2 "MET " " CB " 6 0 2 1 2647 46.25 + 2648 3 18.708000 18.268000 18.497000 175 " " M A 2 "MET " " CG " 6 0 2 1 2648 46.25 + 2649 49 19.249000 19.622000 17.420000 175 " " M A 2 "MET " " SD " 16 0 2 1 2649 46.25 + 2650 3 19.204000 20.978000 18.619000 175 " " M A 2 "MET " " CE " 6 0 2 1 2650 46.25 + 2651 43 19.820000 14.420000 16.822000 175 " " M A 2 "MET " " H " 1 0 2 1 2651 2.48 + 2652 41 17.459000 15.819000 17.916000 175 " " M A 2 "MET " " HA " 1 0 2 1 2652 2.48 + 2653 41 20.263000 17.009000 17.679000 175 " " M A 2 "MET " " HB3" 1 0 2 1 2653 46.25 + 2654 41 19.563000 16.444000 19.161000 175 " " M A 2 "MET " " HB2" 1 0 2 1 2654 46.25 + 2655 41 18.999000 18.538000 19.512000 175 " " M A 2 "MET " " HG3" 1 0 2 1 2655 46.25 + 2656 41 17.620000 18.231000 18.507000 175 " " M A 2 "MET " " HG2" 1 0 2 1 2656 46.25 + 2657 41 19.377000 21.929000 18.117000 175 " " M A 2 "MET " " HE1" 1 0 2 1 2657 46.25 + 2658 41 18.236000 21.010000 19.113000 175 " " M A 2 "MET " " HE2" 1 0 2 1 2658 46.25 + 2659 41 19.973000 20.842000 19.378000 175 " " M A 2 "MET " " HE3" 1 0 2 1 2659 46.25 + 2660 25 17.254000 17.222000 15.777000 176 " " S A 2 "SER " " N " 7 0 2 1 2660 2.48 + 2661 3 16.822000 17.730000 14.486000 176 " " S A 2 "SER " " CA " 6 0 2 1 2661 2.48 + 2662 2 16.585000 19.229000 14.635000 176 " " S A 2 "SER " " C " 6 0 2 1 2662 2.48 + 2663 15 15.663000 19.626000 15.346000 176 " " S A 2 "SER " " O " 8 0 2 1 2663 2.48 + 2664 3 15.559000 16.978000 14.023000 176 " " S A 2 "SER " " CB " 6 0 2 1 2664 2.48 + 2665 16 15.018000 17.538000 12.841000 176 " " S A 2 "SER " " OG " 8 0 2 1 2665 2.48 + 2666 43 16.808000 17.643000 16.581000 176 " " S A 2 "SER " " H " 1 0 2 1 2666 2.48 + 2667 41 17.606000 17.575000 13.743000 176 " " S A 2 "SER " " HA " 1 0 2 1 2667 2.48 + 2668 41 14.790000 16.986000 14.797000 176 " " S A 2 "SER " " HB3" 1 0 2 1 2668 2.48 + 2669 41 15.806000 15.937000 13.826000 176 " " S A 2 "SER " " HB2" 1 0 2 1 2669 2.48 + 2670 42 14.631000 18.389000 13.062000 176 " " S A 2 "SER " " HG " 1 0 2 1 2670 2.48 + 2671 25 17.413000 20.013000 13.936000 177 " " S A 2 "SER " " N " 7 0 2 1 2671 23.16 + 2672 3 17.311000 21.459000 13.840000 177 " " S A 2 "SER " " CA " 6 0 2 1 2672 23.16 + 2673 2 16.807000 21.814000 12.434000 177 " " S A 2 "SER " " C " 6 0 2 1 2673 23.16 + 2674 15 17.319000 21.262000 11.463000 177 " " S A 2 "SER " " O " 8 0 2 1 2674 33.2 + 2675 3 18.696000 22.052000 14.139000 177 " " S A 2 "SER " " CB " 6 0 2 1 2675 33.2 + 2676 16 18.620000 23.455000 14.226000 177 " " S A 2 "SER " " OG " 8 0 2 1 2676 33.2 + 2677 43 18.134000 19.589000 13.364000 177 " " S A 2 "SER " " H " 1 0 2 1 2677 23.16 + 2678 41 16.608000 21.831000 14.583000 177 " " S A 2 "SER " " HA " 1 0 2 1 2678 23.16 + 2679 41 19.424000 21.774000 13.377000 177 " " S A 2 "SER " " HB3" 1 0 2 1 2679 33.2 + 2680 41 19.072000 21.675000 15.091000 177 " " S A 2 "SER " " HB2" 1 0 2 1 2680 33.2 + 2681 42 18.144000 23.672000 15.036000 177 " " S A 2 "SER " " HG " 1 0 2 1 2681 33.2 + 2682 25 15.803000 22.698000 12.346000 178 " " T A 2 "THR " " N " 7 0 2 1 2682 19.99 + 2683 3 15.137000 23.040000 11.090000 178 " " T A 2 "THR " " CA " 6 0 2 1 2683 19.99 + 2684 2 14.847000 24.546000 11.029000 178 " " T A 2 "THR " " C " 6 0 2 1 2684 19.99 + 2685 15 13.865000 25.006000 11.610000 178 " " T A 2 "THR " " O " 8 0 2 1 2685 22.87 + 2686 3 13.800000 22.268000 10.905000 178 " " T A 2 "THR " " CB " 6 0 2 1 2686 22.87 + 2687 16 14.041000 20.877000 10.963000 178 " " T A 2 "THR " " OG1" 8 0 2 1 2687 22.87 + 2688 3 13.084000 22.555000 9.571000 178 " " T A 2 "THR " " CG2" 6 0 2 1 2688 22.87 + 2689 43 15.409000 23.098000 13.189000 178 " " T A 2 "THR " " H " 1 0 2 1 2689 19.99 + 2690 41 15.784000 22.795000 10.249000 178 " " T A 2 "THR " " HA " 1 0 2 1 2690 19.99 + 2691 41 13.120000 22.498000 11.727000 178 " " T A 2 "THR " " HB " 1 0 2 1 2691 22.87 + 2692 42 14.443000 20.677000 11.812000 178 " " T A 2 "THR " " HG1" 1 0 2 1 2692 22.87 + 2693 41 12.203000 21.923000 9.453000 178 " " T A 2 "THR " "HG21" 1 0 2 1 2693 22.87 + 2694 41 12.744000 23.587000 9.502000 178 " " T A 2 "THR " "HG22" 1 0 2 1 2694 22.87 + 2695 41 13.746000 22.367000 8.725000 178 " " T A 2 "THR " "HG23" 1 0 2 1 2695 22.87 + 2696 25 15.701000 25.272000 10.295000 179 " " L A 2 "LEU " " N " 7 0 2 1 2696 38.22 + 2697 3 15.523000 26.677000 9.935000 179 " " L A 2 "LEU " " CA " 6 0 2 1 2697 38.22 + 2698 2 14.610000 26.765000 8.701000 179 " " L A 2 "LEU " " C " 6 0 2 1 2698 38.22 + 2699 15 14.930000 26.153000 7.683000 179 " " L A 2 "LEU " " O " 8 0 2 1 2699 46.67 + 2700 3 16.932000 27.267000 9.724000 179 " " L A 2 "LEU " " CB " 6 0 2 1 2700 46.67 + 2701 3 17.027000 28.678000 9.119000 179 " " L A 2 "LEU " " CG " 6 0 2 1 2701 46.67 + 2702 3 16.383000 29.742000 10.032000 179 " " L A 2 "LEU " " CD1" 6 0 2 1 2702 46.67 + 2703 3 18.489000 29.005000 8.758000 179 " " L A 2 "LEU " " CD2" 6 0 2 1 2703 46.67 + 2704 43 16.473000 24.805000 9.840000 179 " " L A 2 "LEU " " H " 1 0 2 1 2704 38.22 + 2705 41 15.050000 27.220000 10.752000 179 " " L A 2 "LEU " " HA " 1 0 2 1 2705 38.22 + 2706 41 17.492000 26.585000 9.091000 179 " " L A 2 "LEU " " HB3" 1 0 2 1 2706 46.67 + 2707 41 17.451000 27.266000 10.682000 179 " " L A 2 "LEU " " HB2" 1 0 2 1 2707 46.67 + 2708 41 16.489000 28.670000 8.173000 179 " " L A 2 "LEU " " HG " 1 0 2 1 2708 46.67 + 2709 41 16.979000 30.651000 10.095000 179 " " L A 2 "LEU " "HD11" 1 0 2 1 2709 46.67 + 2710 41 15.403000 30.035000 9.655000 179 " " L A 2 "LEU " "HD12" 1 0 2 1 2710 46.67 + 2711 41 16.241000 29.379000 11.051000 179 " " L A 2 "LEU " "HD13" 1 0 2 1 2711 46.67 + 2712 41 18.895000 29.824000 9.349000 179 " " L A 2 "LEU " "HD21" 1 0 2 1 2712 46.67 + 2713 41 19.152000 28.154000 8.908000 179 " " L A 2 "LEU " "HD22" 1 0 2 1 2713 46.67 + 2714 41 18.571000 29.274000 7.706000 179 " " L A 2 "LEU " "HD23" 1 0 2 1 2714 46.67 + 2715 25 13.489000 27.498000 8.827000 180 " " T A 2 "THR " " N " 7 0 2 1 2715 22.22 + 2716 3 12.449000 27.574000 7.798000 180 " " T A 2 "THR " " CA " 6 0 2 1 2716 22.22 + 2717 2 12.292000 29.012000 7.277000 180 " " T A 2 "THR " " C " 6 0 2 1 2717 22.22 + 2718 15 11.497000 29.797000 7.793000 180 " " T A 2 "THR " " O " 8 0 2 1 2718 57.14 + 2719 3 11.084000 27.039000 8.304000 180 " " T A 2 "THR " " CB " 6 0 2 1 2719 57.14 + 2720 16 11.255000 25.706000 8.744000 180 " " T A 2 "THR " " OG1" 8 0 2 1 2720 57.14 + 2721 3 9.965000 27.038000 7.242000 180 " " T A 2 "THR " " CG2" 6 0 2 1 2721 57.14 + 2722 43 13.300000 27.987000 9.692000 180 " " T A 2 "THR " " H " 1 0 2 1 2722 22.22 + 2723 41 12.721000 26.957000 6.942000 180 " " T A 2 "THR " " HA " 1 0 2 1 2723 22.22 + 2724 41 10.753000 27.617000 9.169000 180 " " T A 2 "THR " " HB " 1 0 2 1 2724 57.14 + 2725 42 11.863000 25.711000 9.488000 180 " " T A 2 "THR " " HG1" 1 0 2 1 2725 57.14 + 2726 41 9.083000 26.507000 7.602000 180 " " T A 2 "THR " "HG21" 1 0 2 1 2726 57.14 + 2727 41 9.644000 28.048000 6.987000 180 " " T A 2 "THR " "HG22" 1 0 2 1 2727 57.14 + 2728 41 10.290000 26.557000 6.319000 180 " " T A 2 "THR " "HG23" 1 0 2 1 2728 57.14 + 2729 25 13.060000 29.292000 6.218000 181 " " L A 2 "LEU " " N " 7 0 2 1 2729 29.73 + 2730 3 12.948000 30.463000 5.352000 181 " " L A 2 "LEU " " CA " 6 0 2 1 2730 29.73 + 2731 2 11.803000 30.245000 4.345000 181 " " L A 2 "LEU " " C " 6 0 2 1 2731 29.73 + 2732 15 11.291000 29.134000 4.215000 181 " " L A 2 "LEU " " O " 8 0 2 1 2732 23.05 + 2733 3 14.299000 30.616000 4.610000 181 " " L A 2 "LEU " " CB " 6 0 2 1 2733 23.05 + 2734 3 15.394000 31.418000 5.347000 181 " " L A 2 "LEU " " CG " 6 0 2 1 2734 23.05 + 2735 3 15.504000 31.174000 6.862000 181 " " L A 2 "LEU " " CD1" 6 0 2 1 2735 23.05 + 2736 3 16.742000 31.172000 4.656000 181 " " L A 2 "LEU " " CD2" 6 0 2 1 2736 23.05 + 2737 43 13.672000 28.569000 5.869000 181 " " L A 2 "LEU " " H " 1 0 2 1 2737 29.73 + 2738 41 12.733000 31.359000 5.939000 181 " " L A 2 "LEU " " HA " 1 0 2 1 2738 29.73 + 2739 41 14.153000 31.108000 3.648000 181 " " L A 2 "LEU " " HB3" 1 0 2 1 2739 23.05 + 2740 41 14.676000 29.623000 4.357000 181 " " L A 2 "LEU " " HB2" 1 0 2 1 2740 23.05 + 2741 41 15.145000 32.472000 5.225000 181 " " L A 2 "LEU " " HG " 1 0 2 1 2741 23.05 + 2742 41 16.517000 31.341000 7.226000 181 " " L A 2 "LEU " "HD11" 1 0 2 1 2742 23.05 + 2743 41 14.853000 31.851000 7.416000 181 " " L A 2 "LEU " "HD12" 1 0 2 1 2743 23.05 + 2744 41 15.239000 30.158000 7.134000 181 " " L A 2 "LEU " "HD13" 1 0 2 1 2744 23.05 + 2745 41 17.401000 32.036000 4.734000 181 " " L A 2 "LEU " "HD21" 1 0 2 1 2745 23.05 + 2746 41 17.244000 30.313000 5.100000 181 " " L A 2 "LEU " "HD22" 1 0 2 1 2746 23.05 + 2747 41 16.618000 30.953000 3.597000 181 " " L A 2 "LEU " "HD23" 1 0 2 1 2747 23.05 + 2748 25 11.445000 31.304000 3.611000 182 " " T A 2 "THR " " N " 7 0 2 1 2748 39.16 + 2749 3 10.683000 31.188000 2.367000 182 " " T A 2 "THR " " CA " 6 0 2 1 2749 39.16 + 2750 2 11.661000 31.163000 1.177000 182 " " T A 2 "THR " " C " 6 0 2 1 2750 39.16 + 2751 15 12.849000 31.438000 1.351000 182 " " T A 2 "THR " " O " 8 0 2 1 2751 46.09 + 2752 3 9.707000 32.381000 2.201000 182 " " T A 2 "THR " " CB " 6 0 2 1 2752 46.09 + 2753 16 10.383000 33.625000 2.186000 182 " " T A 2 "THR " " OG1" 8 0 2 1 2753 46.09 + 2754 3 8.616000 32.400000 3.281000 182 " " T A 2 "THR " " CG2" 6 0 2 1 2754 46.09 + 2755 43 11.876000 32.203000 3.775000 182 " " T A 2 "THR " " H " 1 0 2 1 2755 39.16 + 2756 41 10.106000 30.265000 2.347000 182 " " T A 2 "THR " " HA " 1 0 2 1 2756 39.16 + 2757 41 9.201000 32.302000 1.238000 182 " " T A 2 "THR " " HB " 1 0 2 1 2757 46.09 + 2758 42 9.734000 34.321000 2.052000 182 " " T A 2 "THR " " HG1" 1 0 2 1 2758 46.09 + 2759 41 7.912000 33.216000 3.113000 182 " " T A 2 "THR " "HG21" 1 0 2 1 2759 46.09 + 2760 41 8.048000 31.470000 3.277000 182 " " T A 2 "THR " "HG22" 1 0 2 1 2760 46.09 + 2761 41 9.039000 32.527000 4.277000 182 " " T A 2 "THR " "HG23" 1 0 2 1 2761 46.09 + 2762 25 11.137000 30.838000 -0.017000 183 " " K A 2 "LYS " " N " 7 0 1 1 2762 81.54 + 2763 3 11.862000 30.862000 -1.291000 183 " " K A 2 "LYS " " CA " 6 0 1 1 2763 81.54 + 2764 2 12.544000 32.218000 -1.577000 183 " " K A 2 "LYS " " C " 6 0 1 1 2764 81.54 + 2765 15 13.653000 32.203000 -2.105000 183 " " K A 2 "LYS " " O " 8 0 1 1 2765 54.66 + 2766 3 10.918000 30.407000 -2.425000 183 " " K A 2 "LYS " " CB " 6 0 1 1 2766 54.66 + 2767 3 11.546000 30.400000 -3.834000 183 " " K A 2 "LYS " " CG " 6 0 1 1 2767 54.66 + 2768 3 10.572000 29.890000 -4.904000 183 " " K A 2 "LYS " " CD " 6 0 1 1 2768 54.66 + 2769 3 11.105000 29.956000 -6.344000 183 " " K A 2 "LYS " " CE " 6 0 1 1 2769 54.66 + 2770 32 12.197000 28.998000 -6.581000 183 " " K A 2 "LYS " " NZ " 7 1 1 1 2770 54.66 + 2771 43 10.153000 30.605000 -0.075000 183 " " K A 2 "LYS " " H " 1 0 1 1 2771 81.54 + 2772 41 12.649000 30.112000 -1.211000 183 " " K A 2 "LYS " " HA " 1 0 1 1 2772 81.54 + 2773 41 10.036000 31.050000 -2.436000 183 " " K A 2 "LYS " " HB3" 1 0 1 1 2773 54.66 + 2774 41 10.557000 29.403000 -2.197000 183 " " K A 2 "LYS " " HB2" 1 0 1 1 2774 54.66 + 2775 41 12.451000 29.790000 -3.827000 183 " " K A 2 "LYS " " HG3" 1 0 1 1 2775 54.66 + 2776 41 11.850000 31.410000 -4.107000 183 " " K A 2 "LYS " " HG2" 1 0 1 1 2776 54.66 + 2777 41 9.644000 30.460000 -4.845000 183 " " K A 2 "LYS " " HD3" 1 0 1 1 2777 54.66 + 2778 41 10.306000 28.862000 -4.671000 183 " " K A 2 "LYS " " HD2" 1 0 1 1 2778 54.66 + 2779 41 11.441000 30.964000 -6.592000 183 " " K A 2 "LYS " " HE3" 1 0 1 1 2779 54.66 + 2780 41 10.296000 29.712000 -7.033000 183 " " K A 2 "LYS " " HE2" 1 0 1 1 2780 54.66 + 2781 44 11.918000 28.070000 -6.299000 183 " " K A 2 "LYS " " HZ1" 1 0 1 1 2781 54.66 + 2782 44 12.435000 28.998000 -7.563000 183 " " K A 2 "LYS " " HZ2" 1 0 1 1 2782 54.66 + 2783 44 13.021000 29.286000 -6.064000 183 " " K A 2 "LYS " " HZ3" 1 0 1 1 2783 54.66 + 2784 25 11.917000 33.337000 -1.152000 184 " " D A 2 "ASP " " N " 7 0 1 1 2784 57.21 + 2785 3 12.497000 34.687000 -1.130000 184 " " D A 2 "ASP " " CA " 6 0 1 1 2785 57.21 + 2786 2 13.872000 34.751000 -0.460000 184 " " D A 2 "ASP " " C " 6 0 1 1 2786 57.21 + 2787 15 14.856000 34.961000 -1.166000 184 " " D A 2 "ASP " " O " 8 0 1 1 2787 78.03 + 2788 3 11.597000 35.779000 -0.506000 184 " " D A 2 "ASP " " CB " 6 0 1 1 2788 78.03 + 2789 2 10.274000 36.004000 -1.223000 184 " " D A 2 "ASP " " CG " 6 0 1 1 2789 78.03 + 2790 15 10.219000 37.006000 -1.969000 184 " " D A 2 "ASP " " OD1" 8 0 1 1 2790 78.03 + 2791 18 9.340000 35.211000 -0.981000 184 " " D A 2 "ASP " " OD2" 8 -1 1 1 2791 78.03 + 2792 43 10.997000 33.259000 -0.741000 184 " " D A 2 "ASP " " H " 1 0 1 1 2792 57.21 + 2793 41 12.646000 34.958000 -2.177000 184 " " D A 2 "ASP " " HA " 1 0 1 1 2793 57.21 + 2794 41 12.124000 36.734000 -0.488000 184 " " D A 2 "ASP " " HB3" 1 0 1 1 2794 78.03 + 2795 41 11.378000 35.575000 0.542000 184 " " D A 2 "ASP " " HB2" 1 0 1 1 2795 78.03 + 2796 25 13.911000 34.573000 0.873000 185 " " E A 2 "GLU " " N " 7 0 1 1 2796 47.48 + 2797 3 15.147000 34.657000 1.649000 185 " " E A 2 "GLU " " CA " 6 0 1 1 2797 47.48 + 2798 2 16.117000 33.494000 1.392000 185 " " E A 2 "GLU " " C " 6 0 1 1 2798 47.48 + 2799 15 17.328000 33.701000 1.489000 185 " " E A 2 "GLU " " O " 8 0 1 1 2799 71.96 + 2800 3 14.854000 34.914000 3.139000 185 " " E A 2 "GLU " " CB " 6 0 1 1 2800 71.96 + 2801 3 16.144000 35.071000 3.969000 185 " " E A 2 "GLU " " CG " 6 0 1 1 2801 71.96 + 2802 2 16.024000 36.104000 5.077000 185 " " E A 2 "GLU " " CD " 6 0 1 1 2802 71.96 + 2803 15 16.277000 37.285000 4.754000 185 " " E A 2 "GLU " " OE1" 8 0 1 1 2803 71.96 + 2804 18 15.693000 35.701000 6.212000 185 " " E A 2 "GLU " " OE2" 8 -1 1 1 2804 71.96 + 2805 43 13.061000 34.377000 1.384000 185 " " E A 2 "GLU " " H " 1 0 1 1 2805 47.48 + 2806 41 15.660000 35.551000 1.300000 185 " " E A 2 "GLU " " HA " 1 0 1 1 2806 47.48 + 2807 41 14.254000 34.099000 3.546000 185 " " E A 2 "GLU " " HB3" 1 0 1 1 2807 71.96 + 2808 41 14.235000 35.808000 3.227000 185 " " E A 2 "GLU " " HB2" 1 0 1 1 2808 71.96 + 2809 41 16.945000 35.418000 3.324000 185 " " E A 2 "GLU " " HG3" 1 0 1 1 2809 71.96 + 2810 41 16.477000 34.119000 4.376000 185 " " E A 2 "GLU " " HG2" 1 0 1 1 2810 71.96 + 2811 25 15.586000 32.325000 0.994000 186 " " Y A 2 "TYR " " N " 7 0 1 1 2811 66.11 + 2812 3 16.394000 31.198000 0.549000 186 " " Y A 2 "TYR " " CA " 6 0 1 1 2812 66.11 + 2813 2 17.269000 31.550000 -0.667000 186 " " Y A 2 "TYR " " C " 6 0 1 1 2813 66.11 + 2814 15 18.478000 31.332000 -0.618000 186 " " Y A 2 "TYR " " O " 8 0 1 1 2814 36.46 + 2815 3 15.544000 29.934000 0.331000 186 " " Y A 2 "TYR " " CB " 6 0 1 1 2815 36.46 + 2816 2 16.368000 28.726000 -0.078000 186 " " Y A 2 "TYR " " CG " 6 0 1 1 2816 36.46 + 2817 2 17.439000 28.306000 0.738000 186 " " Y A 2 "TYR " " CD1" 6 0 1 1 2817 36.46 + 2818 2 16.119000 28.065000 -1.298000 186 " " Y A 2 "TYR " " CD2" 6 0 1 1 2818 36.46 + 2819 2 18.289000 27.272000 0.311000 186 " " Y A 2 "TYR " " CE1" 6 0 1 1 2819 36.46 + 2820 2 16.947000 27.000000 -1.704000 186 " " Y A 2 "TYR " " CE2" 6 0 1 1 2820 36.46 + 2821 2 18.047000 26.620000 -0.911000 186 " " Y A 2 "TYR " " CZ " 6 0 1 1 2821 36.46 + 2822 16 18.882000 25.627000 -1.334000 186 " " Y A 2 "TYR " " OH " 8 0 1 1 2822 36.46 + 2823 43 14.581000 32.215000 0.938000 186 " " Y A 2 "TYR " " H " 1 0 1 1 2823 66.11 + 2824 41 17.043000 30.970000 1.383000 186 " " Y A 2 "TYR " " HA " 1 0 1 1 2824 66.11 + 2825 41 14.781000 30.126000 -0.422000 186 " " Y A 2 "TYR " " HB3" 1 0 1 1 2825 36.46 + 2826 41 15.018000 29.688000 1.253000 186 " " Y A 2 "TYR " " HB2" 1 0 1 1 2826 36.46 + 2827 41 17.639000 28.797000 1.678000 186 " " Y A 2 "TYR " " HD1" 1 0 1 1 2827 36.46 + 2828 41 15.311000 28.388000 -1.937000 186 " " Y A 2 "TYR " " HD2" 1 0 1 1 2828 36.46 + 2829 41 19.130000 26.992000 0.924000 186 " " Y A 2 "TYR " " HE1" 1 0 1 1 2829 36.46 + 2830 41 16.760000 26.503000 -2.645000 186 " " Y A 2 "TYR " " HE2" 1 0 1 1 2830 36.46 + 2831 42 18.644000 25.265000 -2.192000 186 " " Y A 2 "TYR " " HH " 1 0 1 1 2831 36.46 + 2832 25 16.638000 32.144000 -1.690000 187 " " E A 2 "GLU " " N " 7 0 1 1 2832 73.39 + 2833 3 17.271000 32.584000 -2.931000 187 " " E A 2 "GLU " " CA " 6 0 1 1 2833 73.39 + 2834 2 18.008000 33.930000 -2.840000 187 " " E A 2 "GLU " " C " 6 0 1 1 2834 73.39 + 2835 15 18.737000 34.272000 -3.770000 187 " " E A 2 "GLU " " O " 8 0 1 1 2835 51.3 + 2836 3 16.242000 32.542000 -4.068000 187 " " E A 2 "GLU " " CB " 6 0 1 1 2836 51.3 + 2837 3 15.768000 31.097000 -4.326000 187 " " E A 2 "GLU " " CG " 6 0 1 1 2837 51.3 + 2838 2 14.761000 30.974000 -5.460000 187 " " E A 2 "GLU " " CD " 6 0 1 1 2838 51.3 + 2839 15 13.939000 31.899000 -5.634000 187 " " E A 2 "GLU " " OE1" 8 0 1 1 2839 51.3 + 2840 18 14.807000 29.916000 -6.124000 187 " " E A 2 "GLU " " OE2" 8 -1 1 1 2840 51.3 + 2841 43 15.638000 32.296000 -1.636000 187 " " E A 2 "GLU " " H " 1 0 1 1 2841 73.39 + 2842 41 18.031000 31.862000 -3.190000 187 " " E A 2 "GLU " " HA " 1 0 1 1 2842 73.39 + 2843 41 16.675000 32.947000 -4.984000 187 " " E A 2 "GLU " " HB3" 1 0 1 1 2843 51.3 + 2844 41 15.396000 33.186000 -3.823000 187 " " E A 2 "GLU " " HB2" 1 0 1 1 2844 51.3 + 2845 41 15.314000 30.662000 -3.436000 187 " " E A 2 "GLU " " HG3" 1 0 1 1 2845 51.3 + 2846 41 16.628000 30.472000 -4.565000 187 " " E A 2 "GLU " " HG2" 1 0 1 1 2846 51.3 + 2847 25 17.842000 34.648000 -1.719000 188 " " R A 2 "ARG " " N " 7 0 1 1 2847 67.56 + 2848 3 18.540000 35.896000 -1.417000 188 " " R A 2 "ARG " " CA " 6 0 1 1 2848 67.56 + 2849 2 20.014000 35.646000 -1.026000 188 " " R A 2 "ARG " " C " 6 0 1 1 2849 67.56 + 2850 15 20.861000 36.486000 -1.325000 188 " " R A 2 "ARG " " O " 8 0 1 1 2850 85.05 + 2851 3 17.750000 36.617000 -0.302000 188 " " R A 2 "ARG " " CB " 6 0 1 1 2851 85.05 + 2852 3 17.960000 38.134000 -0.182000 188 " " R A 2 "ARG " " CG " 6 0 1 1 2852 85.05 + 2853 3 17.436000 38.729000 1.142000 188 " " R A 2 "ARG " " CD " 6 0 1 1 2853 85.05 + 2854 25 16.079000 38.287000 1.525000 188 " " R A 2 "ARG " " NE " 7 0 1 1 2854 85.05 + 2855 2 14.915000 38.518000 0.890000 188 " " R A 2 "ARG " " CZ " 6 0 1 1 2855 85.05 + 2856 25 14.854000 39.252000 -0.229000 188 " " R A 2 "ARG " " NH1" 7 0 1 1 2856 85.05 + 2857 31 13.785000 38.012000 1.400000 188 " " R A 2 "ARG " " NH2" 7 1 1 1 2857 85.05 + 2858 43 17.212000 34.306000 -1.007000 188 " " R A 2 "ARG " " H " 1 0 1 1 2858 67.56 + 2859 41 18.531000 36.524000 -2.310000 188 " " R A 2 "ARG " " HA " 1 0 1 1 2859 67.56 + 2860 41 17.947000 36.139000 0.655000 188 " " R A 2 "ARG " " HB3" 1 0 1 1 2860 85.05 + 2861 41 16.688000 36.490000 -0.491000 188 " " R A 2 "ARG " " HB2" 1 0 1 1 2861 85.05 + 2862 41 17.614000 38.684000 -1.058000 188 " " R A 2 "ARG " " HG3" 1 0 1 1 2862 85.05 + 2863 41 19.041000 38.279000 -0.152000 188 " " R A 2 "ARG " " HG2" 1 0 1 1 2863 85.05 + 2864 41 17.330000 39.805000 1.006000 188 " " R A 2 "ARG " " HD3" 1 0 1 1 2864 85.05 + 2865 41 18.157000 38.605000 1.950000 188 " " R A 2 "ARG " " HD2" 1 0 1 1 2865 85.05 + 2866 43 16.041000 37.780000 2.402000 188 " " R A 2 "ARG " " HE " 1 0 1 1 2866 85.05 + 2867 43 13.972000 39.408000 -0.696000 188 " " R A 2 "ARG " "HH12" 1 0 1 1 2867 85.05 + 2868 43 15.698000 39.641000 -0.621000 188 " " R A 2 "ARG " "HH11" 1 0 1 1 2868 85.05 + 2869 44 12.899000 38.173000 0.943000 188 " " R A 2 "ARG " "HH22" 1 0 1 1 2869 85.05 + 2870 44 13.810000 37.478000 2.257000 188 " " R A 2 "ARG " "HH21" 1 0 1 1 2870 85.05 + 2871 25 20.285000 34.490000 -0.391000 189 " " H A 2 "HIS " " N " 7 0 0 1 2871 52.14 + 2872 3 21.594000 34.081000 0.132000 189 " " H A 2 "HIS " " CA " 6 0 0 1 2872 52.14 + 2873 2 22.064000 32.780000 -0.536000 189 " " H A 2 "HIS " " C " 6 0 0 1 2873 52.14 + 2874 15 21.290000 32.144000 -1.253000 189 " " H A 2 "HIS " " O " 8 0 0 1 2874 61.41 + 2875 3 21.487000 33.892000 1.659000 189 " " H A 2 "HIS " " CB " 6 0 0 1 2875 61.41 + 2876 2 20.954000 35.079000 2.418000 189 " " H A 2 "HIS " " CG " 6 0 0 1 2876 61.41 + 2877 25 19.601000 35.307000 2.597000 189 " " H A 2 "HIS " " ND1" 7 0 0 1 2877 61.41 + 2878 2 21.590000 36.102000 3.085000 189 " " H A 2 "HIS " " CD2" 6 0 0 1 2878 61.41 + 2879 2 19.487000 36.436000 3.301000 189 " " H A 2 "HIS " " CE1" 6 0 0 1 2879 61.41 + 2880 25 20.650000 36.972000 3.634000 189 " " H A 2 "HIS " " NE2" 7 0 0 1 2880 61.41 + 2881 43 19.533000 33.835000 -0.233000 189 " " H A 2 "HIS " " H " 1 0 0 1 2881 52.14 + 2882 41 22.340000 34.851000 -0.072000 189 " " H A 2 "HIS " " HA " 1 0 0 1 2882 52.14 + 2883 41 22.453000 33.624000 2.082000 189 " " H A 2 "HIS " " HB3" 1 0 0 1 2883 61.41 + 2884 41 20.845000 33.050000 1.882000 189 " " H A 2 "HIS " " HB2" 1 0 0 1 2884 61.41 + 2885 43 18.842000 34.729000 2.255000 189 " " H A 2 "HIS " " HD1" 1 0 0 1 2885 61.41 + 2886 41 22.645000 36.290000 3.209000 189 " " H A 2 "HIS " " HD2" 1 0 0 1 2886 61.41 + 2887 41 18.547000 36.881000 3.584000 189 " " H A 2 "HIS " " HE1" 1 0 0 1 2887 61.41 + 2888 25 23.331000 32.408000 -0.291000 190 " " N A 2 "ASN " " N " 7 0 0 1 2888 51.57 + 2889 3 23.946000 31.217000 -0.877000 190 " " N A 2 "ASN " " CA " 6 0 0 1 2889 51.57 + 2890 2 24.317000 30.194000 0.206000 190 " " N A 2 "ASN " " C " 6 0 0 1 2890 51.57 + 2891 15 23.842000 29.063000 0.126000 190 " " N A 2 "ASN " " O " 8 0 0 1 2891 65.41 + 2892 3 25.170000 31.622000 -1.735000 190 " " N A 2 "ASN " " CB " 6 0 0 1 2892 65.41 + 2893 2 25.705000 30.502000 -2.638000 190 " " N A 2 "ASN " " CG " 6 0 0 1 2893 65.41 + 2894 15 25.071000 29.468000 -2.816000 190 " " N A 2 "ASN " " OD1" 8 0 0 1 2894 65.41 + 2895 25 26.889000 30.701000 -3.216000 190 " " N A 2 "ASN " " ND2" 7 0 0 1 2895 65.41 + 2896 43 23.912000 32.964000 0.325000 190 " " N A 2 "ASN " " H " 1 0 0 1 2896 51.57 + 2897 41 23.241000 30.697000 -1.528000 190 " " N A 2 "ASN " " HA " 1 0 0 1 2897 51.57 + 2898 41 25.976000 32.002000 -1.105000 190 " " N A 2 "ASN " " HB3" 1 0 0 1 2898 65.41 + 2899 41 24.886000 32.443000 -2.395000 190 " " N A 2 "ASN " " HB2" 1 0 0 1 2899 65.41 + 2900 43 27.297000 29.970000 -3.783000 190 " " N A 2 "ASN " "HD22" 1 0 0 1 2900 65.41 + 2901 43 27.406000 31.552000 -3.053000 190 " " N A 2 "ASN " "HD21" 1 0 0 1 2901 65.41 + 2902 25 25.170000 30.583000 1.168000 191 " " S A 2 "SER " " N " 7 0 2 1 2902 53.19 + 2903 3 25.707000 29.672000 2.177000 191 " " S A 2 "SER " " CA " 6 0 2 1 2903 53.19 + 2904 2 24.718000 29.447000 3.330000 191 " " S A 2 "SER " " C " 6 0 2 1 2904 53.19 + 2905 15 24.086000 30.393000 3.800000 191 " " S A 2 "SER " " O " 8 0 2 1 2905 75.15 + 2906 3 27.100000 30.154000 2.630000 191 " " S A 2 "SER " " CB " 6 0 2 1 2906 75.15 + 2907 16 27.042000 31.239000 3.525000 191 " " S A 2 "SER " " OG " 8 0 2 1 2907 75.15 + 2908 43 25.470000 31.549000 1.226000 191 " " S A 2 "SER " " H " 1 0 2 1 2908 53.19 + 2909 41 25.861000 28.710000 1.687000 191 " " S A 2 "SER " " HA " 1 0 2 1 2909 53.19 + 2910 41 27.713000 30.426000 1.770000 191 " " S A 2 "SER " " HB3" 1 0 2 1 2910 75.15 + 2911 41 27.620000 29.339000 3.135000 191 " " S A 2 "SER " " HB2" 1 0 2 1 2911 75.15 + 2912 42 26.589000 31.970000 3.086000 191 " " S A 2 "SER " " HG " 1 0 2 1 2912 75.15 + 2913 25 24.611000 28.176000 3.736000 192 " " Y A 2 "TYR " " N " 7 0 2 1 2913 32.64 + 2914 3 23.706000 27.681000 4.765000 192 " " Y A 2 "TYR " " CA " 6 0 2 1 2914 32.64 + 2915 2 24.456000 26.632000 5.571000 192 " " Y A 2 "TYR " " C " 6 0 2 1 2915 32.64 + 2916 15 24.885000 25.637000 4.988000 192 " " Y A 2 "TYR " " O " 8 0 2 1 2916 24.57 + 2917 3 22.472000 27.054000 4.090000 192 " " Y A 2 "TYR " " CB " 6 0 2 1 2917 24.57 + 2918 2 21.525000 28.086000 3.533000 192 " " Y A 2 "TYR " " CG " 6 0 2 1 2918 24.57 + 2919 2 20.737000 28.829000 4.429000 192 " " Y A 2 "TYR " " CD1" 6 0 2 1 2919 24.57 + 2920 2 21.484000 28.364000 2.151000 192 " " Y A 2 "TYR " " CD2" 6 0 2 1 2920 24.57 + 2921 2 19.962000 29.894000 3.951000 192 " " Y A 2 "TYR " " CE1" 6 0 2 1 2921 24.57 + 2922 2 20.709000 29.438000 1.674000 192 " " Y A 2 "TYR " " CE2" 6 0 2 1 2922 24.57 + 2923 2 19.965000 30.212000 2.585000 192 " " Y A 2 "TYR " " CZ " 6 0 2 1 2923 24.57 + 2924 16 19.249000 31.284000 2.161000 192 " " Y A 2 "TYR " " OH " 8 0 2 1 2924 24.57 + 2925 43 25.156000 27.463000 3.269000 192 " " Y A 2 "TYR " " H " 1 0 2 1 2925 32.64 + 2926 41 23.402000 28.492000 5.431000 192 " " Y A 2 "TYR " " HA " 1 0 2 1 2926 32.64 + 2927 41 21.911000 26.451000 4.806000 192 " " Y A 2 "TYR " " HB3" 1 0 2 1 2927 24.57 + 2928 41 22.790000 26.378000 3.296000 192 " " Y A 2 "TYR " " HB2" 1 0 2 1 2928 24.57 + 2929 41 20.762000 28.609000 5.486000 192 " " Y A 2 "TYR " " HD1" 1 0 2 1 2929 24.57 + 2930 41 22.078000 27.781000 1.464000 192 " " Y A 2 "TYR " " HD2" 1 0 2 1 2930 24.57 + 2931 41 19.400000 30.499000 4.638000 192 " " Y A 2 "TYR " " HE1" 1 0 2 1 2931 24.57 + 2932 41 20.706000 29.675000 0.620000 192 " " Y A 2 "TYR " " HE2" 1 0 2 1 2932 24.57 + 2933 42 19.251000 31.386000 1.203000 192 " " Y A 2 "TYR " " HH " 1 0 2 1 2933 24.57 + 2934 25 24.601000 26.868000 6.884000 193 " " T A 2 "THR " " N " 7 0 2 1 2934 18.34 + 2935 3 25.358000 25.974000 7.749000 193 " " T A 2 "THR " " CA " 6 0 2 1 2935 18.34 + 2936 2 24.895000 26.036000 9.210000 193 " " T A 2 "THR " " C " 6 0 2 1 2936 18.34 + 2937 15 24.740000 27.123000 9.761000 193 " " T A 2 "THR " " O " 8 0 2 1 2937 48.46 + 2938 3 26.885000 26.246000 7.655000 193 " " T A 2 "THR " " CB " 6 0 2 1 2938 48.46 + 2939 16 27.600000 25.309000 8.429000 193 " " T A 2 "THR " " OG1" 8 0 2 1 2939 48.46 + 2940 3 27.357000 27.641000 8.105000 193 " " T A 2 "THR " " CG2" 6 0 2 1 2940 48.46 + 2941 43 24.248000 27.719000 7.302000 193 " " T A 2 "THR " " H " 1 0 2 1 2941 18.34 + 2942 41 25.165000 24.957000 7.406000 193 " " T A 2 "THR " " HA " 1 0 2 1 2942 18.34 + 2943 41 27.185000 26.119000 6.620000 193 " " T A 2 "THR " " HB " 1 0 2 1 2943 48.46 + 2944 42 27.355000 24.426000 8.137000 193 " " T A 2 "THR " " HG1" 1 0 2 1 2944 48.46 + 2945 41 28.422000 27.768000 7.907000 193 " " T A 2 "THR " "HG21" 1 0 2 1 2945 48.46 + 2946 41 26.833000 28.431000 7.568000 193 " " T A 2 "THR " "HG22" 1 0 2 1 2946 48.46 + 2947 41 27.208000 27.802000 9.172000 193 " " T A 2 "THR " "HG23" 1 0 2 1 2947 48.46 + 2948 25 24.722000 24.845000 9.801000 194 " " C A 2 "CYS " " N " 7 0 2 1 2948 45.4 + 2949 3 24.526000 24.639000 11.231000 194 " " C A 2 "CYS " " CA " 6 0 2 1 2949 45.4 + 2950 2 25.881000 24.333000 11.888000 194 " " C A 2 "CYS " " C " 6 0 2 1 2950 45.4 + 2951 15 26.656000 23.547000 11.342000 194 " " C A 2 "CYS " " O " 8 0 2 1 2951 38.27 + 2952 3 23.523000 23.484000 11.446000 194 " " C A 2 "CYS " " CB " 6 0 2 1 2952 38.27 + 2953 49 23.912000 21.907000 10.621000 194 " " C A 2 "CYS " " SG " 16 0 2 1 2953 38.27 + 2954 43 24.878000 24.003000 9.265000 194 " " C A 2 "CYS " " H " 1 0 2 1 2954 45.4 + 2955 41 24.099000 25.536000 11.679000 194 " " C A 2 "CYS " " HA " 1 0 2 1 2955 45.4 + 2956 41 22.533000 23.793000 11.111000 194 " " C A 2 "CYS " " HB3" 1 0 2 1 2956 38.27 + 2957 41 23.426000 23.285000 12.514000 194 " " C A 2 "CYS " " HB2" 1 0 2 1 2957 38.27 + 2958 25 26.116000 24.929000 13.065000 195 " " E A 2 "GLU " " N " 7 0 2 1 2958 67.34 + 2959 3 27.224000 24.590000 13.955000 195 " " E A 2 "GLU " " CA " 6 0 2 1 2959 67.34 + 2960 2 26.663000 23.906000 15.196000 195 " " E A 2 "GLU " " C " 6 0 2 1 2960 67.34 + 2961 15 25.738000 24.452000 15.789000 195 " " E A 2 "GLU " " O " 8 0 2 1 2961 74.33 + 2962 3 27.977000 25.851000 14.407000 195 " " E A 2 "GLU " " CB " 6 0 2 1 2962 74.33 + 2963 3 28.633000 26.638000 13.265000 195 " " E A 2 "GLU " " CG " 6 0 2 1 2963 74.33 + 2964 2 29.750000 27.565000 13.753000 195 " " E A 2 "GLU " " CD " 6 0 2 1 2964 74.33 + 2965 15 29.731000 27.950000 14.943000 195 " " E A 2 "GLU " " OE1" 8 0 2 1 2965 74.33 + 2966 18 30.604000 27.900000 12.904000 195 " " E A 2 "GLU " " OE2" 8 -1 2 1 2966 74.33 + 2967 43 25.453000 25.604000 13.425000 195 " " E A 2 "GLU " " H " 1 0 2 1 2967 67.34 + 2968 41 27.934000 23.924000 13.464000 195 " " E A 2 "GLU " " HA " 1 0 2 1 2968 67.34 + 2969 41 28.732000 25.549000 15.131000 195 " " E A 2 "GLU " " HB3" 1 0 2 1 2969 74.33 + 2970 41 27.303000 26.518000 14.946000 195 " " E A 2 "GLU " " HB2" 1 0 2 1 2970 74.33 + 2971 41 27.883000 27.230000 12.739000 195 " " E A 2 "GLU " " HG3" 1 0 2 1 2971 74.33 + 2972 41 29.042000 25.949000 12.528000 195 " " E A 2 "GLU " " HG2" 1 0 2 1 2972 74.33 + 2973 25 27.268000 22.780000 15.601000 196 " " A A 2 "ALA " " N " 7 0 2 1 2973 12.3 + 2974 3 26.952000 22.097000 16.851000 196 " " A A 2 "ALA " " CA " 6 0 2 1 2974 12.3 + 2975 2 28.124000 22.264000 17.815000 196 " " A A 2 "ALA " " C " 6 0 2 1 2975 12.3 + 2976 15 29.219000 21.785000 17.522000 196 " " A A 2 "ALA " " O " 8 0 2 1 2976 11.18 + 2977 3 26.685000 20.609000 16.585000 196 " " A A 2 "ALA " " CB " 6 0 2 1 2977 11.18 + 2978 43 28.014000 22.383000 15.047000 196 " " A A 2 "ALA " " H " 1 0 2 1 2978 12.3 + 2979 41 26.047000 22.514000 17.296000 196 " " A A 2 "ALA " " HA " 1 0 2 1 2979 12.3 + 2980 41 25.882000 20.269000 17.236000 196 " " A A 2 "ALA " " HB1" 1 0 2 1 2980 11.18 + 2981 41 26.391000 20.433000 15.551000 196 " " A A 2 "ALA " " HB2" 1 0 2 1 2981 11.18 + 2982 41 27.538000 19.964000 16.794000 196 " " A A 2 "ALA " " HB3" 1 0 2 1 2982 11.18 + 2983 25 27.865000 22.905000 18.961000 197 " " T A 2 "THR " " N " 7 0 2 1 2983 50.3 + 2984 3 28.808000 22.955000 20.071000 197 " " T A 2 "THR " " CA " 6 0 2 1 2984 50.3 + 2985 2 28.404000 21.862000 21.077000 197 " " T A 2 "THR " " C " 6 0 2 1 2985 50.3 + 2986 15 27.271000 21.840000 21.562000 197 " " T A 2 "THR " " O " 8 0 2 1 2986 58.37 + 2987 3 28.875000 24.353000 20.745000 197 " " T A 2 "THR " " CB " 6 0 2 1 2987 58.37 + 2988 16 27.824000 24.630000 21.645000 197 " " T A 2 "THR " " OG1" 8 0 2 1 2988 58.37 + 2989 3 29.005000 25.510000 19.741000 197 " " T A 2 "THR " " CG2" 6 0 2 1 2989 58.37 + 2990 43 26.936000 23.265000 19.143000 197 " " T A 2 "THR " " H " 1 0 2 1 2990 50.3 + 2991 41 29.819000 22.743000 19.715000 197 " " T A 2 "THR " " HA " 1 0 2 1 2991 50.3 + 2992 41 29.781000 24.366000 21.354000 197 " " T A 2 "THR " " HB " 1 0 2 1 2992 58.37 + 2993 42 27.816000 23.950000 22.323000 197 " " T A 2 "THR " " HG1" 1 0 2 1 2993 58.37 + 2994 41 29.134000 26.463000 20.255000 197 " " T A 2 "THR " "HG21" 1 0 2 1 2994 58.37 + 2995 41 29.870000 25.367000 19.093000 197 " " T A 2 "THR " "HG22" 1 0 2 1 2995 58.37 + 2996 41 28.126000 25.597000 19.102000 197 " " T A 2 "THR " "HG23" 1 0 2 1 2996 58.37 + 2997 25 29.347000 20.946000 21.314000 198 " " H A 2 "HIS " " N " 7 0 0 1 2997 2.48 + 2998 3 29.181000 19.747000 22.124000 198 " " H A 2 "HIS " " CA " 6 0 0 1 2998 2.48 + 2999 2 30.575000 19.360000 22.619000 198 " " H A 2 "HIS " " C " 6 0 0 1 2999 2.48 + 3000 15 31.489000 19.327000 21.795000 198 " " H A 2 "HIS " " O " 8 0 0 1 3000 29.32 + 3001 3 28.568000 18.635000 21.246000 198 " " H A 2 "HIS " " CB " 6 0 0 1 3001 29.32 + 3002 2 28.147000 17.412000 22.011000 198 " " H A 2 "HIS " " CG " 6 0 0 1 3002 29.32 + 3003 25 27.296000 17.470000 23.096000 198 " " H A 2 "HIS " " ND1" 7 0 0 1 3003 29.32 + 3004 2 28.483000 16.086000 21.874000 198 " " H A 2 "HIS " " CD2" 6 0 0 1 3004 29.32 + 3005 2 27.174000 16.230000 23.564000 198 " " H A 2 "HIS " " CE1" 6 0 0 1 3005 29.32 + 3006 25 27.858000 15.334000 22.866000 198 " " H A 2 "HIS " " NE2" 7 0 0 1 3006 29.32 + 3007 43 30.250000 21.035000 20.868000 198 " " H A 2 "HIS " " H " 1 0 0 1 3007 2.48 + 3008 41 28.532000 19.971000 22.973000 198 " " H A 2 "HIS " " HA " 1 0 0 1 3008 2.48 + 3009 41 29.274000 18.325000 20.474000 198 " " H A 2 "HIS " " HB3" 1 0 0 1 3009 29.32 + 3010 41 27.699000 19.004000 20.707000 198 " " H A 2 "HIS " " HB2" 1 0 0 1 3010 29.32 + 3011 43 26.832000 18.287000 23.473000 198 " " H A 2 "HIS " " HD1" 1 0 0 1 3011 29.32 + 3012 41 29.132000 15.617000 21.152000 198 " " H A 2 "HIS " " HD2" 1 0 0 1 3012 29.32 + 3013 41 26.585000 15.995000 24.433000 198 " " H A 2 "HIS " " HE1" 1 0 0 1 3013 29.32 + 3014 25 30.733000 19.076000 23.927000 199 " " K A 2 "LYS " " N " 7 0 0 1 3014 9.86 + 3015 3 32.059000 18.883000 24.535000 199 " " K A 2 "LYS " " CA " 6 0 0 1 3015 9.86 + 3016 2 32.654000 17.465000 24.364000 199 " " K A 2 "LYS " " C " 6 0 0 1 3016 9.86 + 3017 15 33.407000 17.010000 25.224000 199 " " K A 2 "LYS " " O " 8 0 0 1 3017 70.59 + 3018 3 32.104000 19.400000 25.991000 199 " " K A 2 "LYS " " CB " 6 0 0 1 3018 70.59 + 3019 3 33.502000 19.967000 26.338000 199 " " K A 2 "LYS " " CG " 6 0 0 1 3019 70.59 + 3020 3 33.858000 20.061000 27.831000 199 " " K A 2 "LYS " " CD " 6 0 0 1 3020 70.59 + 3021 3 32.957000 20.976000 28.672000 199 " " K A 2 "LYS " " CE " 6 0 0 1 3021 70.59 + 3022 32 31.689000 20.319000 29.032000 199 " " K A 2 "LYS " " NZ " 7 1 0 1 3022 70.59 + 3023 43 29.939000 19.078000 24.551000 199 " " K A 2 "LYS " " H " 1 0 0 1 3023 9.86 + 3024 41 32.748000 19.522000 23.981000 199 " " K A 2 "LYS " " HA " 1 0 0 1 3024 9.86 + 3025 41 31.806000 18.608000 26.679000 199 " " K A 2 "LYS " " HB3" 1 0 0 1 3025 70.59 + 3026 41 31.380000 20.205000 26.122000 199 " " K A 2 "LYS " " HB2" 1 0 0 1 3026 70.59 + 3027 41 33.599000 20.957000 25.889000 199 " " K A 2 "LYS " " HG3" 1 0 0 1 3027 70.59 + 3028 41 34.277000 19.367000 25.860000 199 " " K A 2 "LYS " " HG2" 1 0 0 1 3028 70.59 + 3029 41 34.884000 20.420000 27.913000 199 " " K A 2 "LYS " " HD3" 1 0 0 1 3029 70.59 + 3030 41 33.871000 19.057000 28.260000 199 " " K A 2 "LYS " " HD2" 1 0 0 1 3030 70.59 + 3031 41 32.760000 21.914000 28.150000 199 " " K A 2 "LYS " " HE3" 1 0 0 1 3031 70.59 + 3032 41 33.466000 21.230000 29.602000 199 " " K A 2 "LYS " " HE2" 1 0 0 1 3032 70.59 + 3033 44 31.178000 20.087000 28.192000 199 " " K A 2 "LYS " " HZ1" 1 0 0 1 3033 70.59 + 3034 44 31.883000 19.474000 29.550000 199 " " K A 2 "LYS " " HZ2" 1 0 0 1 3034 70.59 + 3035 44 31.134000 20.943000 29.601000 199 " " K A 2 "LYS " " HZ3" 1 0 0 1 3035 70.59 + 3036 25 32.384000 16.832000 23.214000 200 " " T A 2 "THR " " N " 7 0 0 1 3036 50.44 + 3037 3 33.255000 15.814000 22.621000 200 " " T A 2 "THR " " CA " 6 0 0 1 3037 50.44 + 3038 2 34.314000 16.453000 21.694000 200 " " T A 2 "THR " " C " 6 0 0 1 3038 50.44 + 3039 15 35.268000 15.770000 21.325000 200 " " T A 2 "THR " " O " 8 0 0 1 3039 47.47 + 3040 3 32.430000 14.815000 21.784000 200 " " T A 2 "THR " " CB " 6 0 0 1 3040 47.47 + 3041 16 31.708000 15.478000 20.757000 200 " " T A 2 "THR " " OG1" 8 0 0 1 3041 47.47 + 3042 3 31.484000 13.997000 22.673000 200 " " T A 2 "THR " " CG2" 6 0 0 1 3042 47.47 + 3043 43 31.704000 17.233000 22.584000 200 " " T A 2 "THR " " H " 1 0 0 1 3043 50.44 + 3044 41 33.788000 15.266000 23.400000 200 " " T A 2 "THR " " HA " 1 0 0 1 3044 50.44 + 3045 41 33.111000 14.113000 21.300000 200 " " T A 2 "THR " " HB " 1 0 0 1 3045 47.47 + 3046 42 32.336000 15.859000 20.138000 200 " " T A 2 "THR " " HG1" 1 0 0 1 3046 47.47 + 3047 41 31.504000 12.948000 22.389000 200 " " T A 2 "THR " "HG21" 1 0 0 1 3047 47.47 + 3048 41 31.792000 14.038000 23.717000 200 " " T A 2 "THR " "HG22" 1 0 0 1 3048 47.47 + 3049 41 30.456000 14.348000 22.631000 200 " " T A 2 "THR " "HG23" 1 0 0 1 3049 47.47 + 3050 25 34.142000 17.743000 21.365000 201 " " S A 2 "SER " " N " 7 0 0 1 3050 39.42 + 3051 3 35.086000 18.569000 20.627000 201 " " S A 2 "SER " " CA " 6 0 0 1 3051 39.42 + 3052 2 35.157000 19.953000 21.294000 201 " " S A 2 "SER " " C " 6 0 0 1 3052 39.42 + 3053 15 34.184000 20.398000 21.903000 201 " " S A 2 "SER " " O " 8 0 0 1 3053 48.43 + 3054 3 34.624000 18.654000 19.157000 201 " " S A 2 "SER " " CB " 6 0 0 1 3054 48.43 + 3055 16 35.547000 19.373000 18.364000 201 " " S A 2 "SER " " OG " 8 0 0 1 3055 48.43 + 3056 43 33.332000 18.237000 21.715000 201 " " S A 2 "SER " " H " 1 0 0 1 3056 39.42 + 3057 41 36.082000 18.121000 20.670000 201 " " S A 2 "SER " " HA " 1 0 0 1 3057 39.42 + 3058 41 33.647000 19.133000 19.083000 201 " " S A 2 "SER " " HB3" 1 0 0 1 3058 48.43 + 3059 41 34.521000 17.653000 18.735000 201 " " S A 2 "SER " " HB2" 1 0 0 1 3059 48.43 + 3060 42 35.120000 19.599000 17.533000 201 " " S A 2 "SER " " HG " 1 0 0 1 3060 48.43 + 3061 25 36.306000 20.624000 21.138000 202 " " T A 2 "THR " " N " 7 0 0 1 3061 14.64 + 3062 3 36.506000 22.018000 21.546000 202 " " T A 2 "THR " " CA " 6 0 0 1 3062 14.64 + 3063 2 36.174000 23.008000 20.404000 202 " " T A 2 "THR " " C " 6 0 0 1 3063 14.64 + 3064 15 36.097000 24.210000 20.657000 202 " " T A 2 "THR " " O " 8 0 0 1 3064 22.82 + 3065 3 37.977000 22.253000 21.992000 202 " " T A 2 "THR " " CB " 6 0 0 1 3065 22.82 + 3066 16 38.893000 22.277000 20.909000 202 " " T A 2 "THR " " OG1" 8 0 0 1 3066 22.82 + 3067 3 38.469000 21.240000 23.038000 202 " " T A 2 "THR " " CG2" 6 0 0 1 3067 22.82 + 3068 43 37.071000 20.200000 20.633000 202 " " T A 2 "THR " " H " 1 0 0 1 3068 14.64 + 3069 41 35.855000 22.257000 22.390000 202 " " T A 2 "THR " " HA " 1 0 0 1 3069 14.64 + 3070 41 38.030000 23.240000 22.455000 202 " " T A 2 "THR " " HB " 1 0 0 1 3070 22.82 + 3071 42 38.669000 23.009000 20.328000 202 " " T A 2 "THR " " HG1" 1 0 0 1 3071 22.82 + 3072 41 39.467000 21.501000 23.392000 202 " " T A 2 "THR " "HG21" 1 0 0 1 3072 22.82 + 3073 41 37.808000 21.220000 23.905000 202 " " T A 2 "THR " "HG22" 1 0 0 1 3073 22.82 + 3074 41 38.520000 20.228000 22.635000 202 " " T A 2 "THR " "HG23" 1 0 0 1 3074 22.82 + 3075 25 36.000000 22.482000 19.181000 203 " " S A 2 "SER " " N " 7 0 0 1 3075 15.9 + 3076 3 35.789000 23.222000 17.940000 203 " " S A 2 "SER " " CA " 6 0 0 1 3076 15.9 + 3077 2 34.375000 22.877000 17.422000 203 " " S A 2 "SER " " C " 6 0 0 1 3077 15.9 + 3078 15 34.061000 21.686000 17.367000 203 " " S A 2 "SER " " O " 8 0 0 1 3078 64.81 + 3079 3 36.842000 22.716000 16.933000 203 " " S A 2 "SER " " CB " 6 0 0 1 3079 64.81 + 3080 16 38.148000 23.044000 17.368000 203 " " S A 2 "SER " " OG " 8 0 0 1 3080 64.81 + 3081 43 36.053000 21.478000 19.074000 203 " " S A 2 "SER " " H " 1 0 0 1 3081 15.9 + 3082 41 35.943000 24.288000 18.099000 203 " " S A 2 "SER " " HA " 1 0 0 1 3082 15.9 + 3083 41 36.684000 23.176000 15.956000 203 " " S A 2 "SER " " HB3" 1 0 0 1 3083 64.81 + 3084 41 36.777000 21.636000 16.792000 203 " " S A 2 "SER " " HB2" 1 0 0 1 3084 64.81 + 3085 42 38.778000 22.713000 16.724000 203 " " S A 2 "SER " " HG " 1 0 0 1 3085 64.81 + 3086 25 33.546000 23.886000 17.051000 204 " " P A 2 "PRO " " N " 7 0 0 1 3086 10.43 + 3087 3 32.209000 23.673000 16.447000 204 " " P A 2 "PRO " " CA " 6 0 0 1 3087 10.43 + 3088 2 32.140000 22.629000 15.317000 204 " " P A 2 "PRO " " C " 6 0 0 1 3088 10.43 + 3089 15 33.000000 22.629000 14.435000 204 " " P A 2 "PRO " " O " 8 0 0 1 3089 65.46 + 3090 3 31.830000 25.067000 15.925000 204 " " P A 2 "PRO " " CB " 6 0 0 1 3090 65.46 + 3091 3 32.525000 26.027000 16.867000 204 " " P A 2 "PRO " " CG " 6 0 0 1 3091 65.46 + 3092 3 33.837000 25.318000 17.173000 204 " " P A 2 "PRO " " CD " 6 0 0 1 3092 65.46 + 3093 41 31.535000 23.392000 17.258000 204 " " P A 2 "PRO " " HA " 1 0 0 1 3093 10.43 + 3094 41 30.753000 25.224000 15.913000 204 " " P A 2 "PRO " " HB3" 1 0 0 1 3094 65.46 + 3095 41 32.200000 25.225000 14.910000 204 " " P A 2 "PRO " " HB2" 1 0 0 1 3095 65.46 + 3096 41 31.940000 26.117000 17.783000 204 " " P A 2 "PRO " " HG3" 1 0 0 1 3096 65.46 + 3097 41 32.655000 27.027000 16.451000 204 " " P A 2 "PRO " " HG2" 1 0 0 1 3097 65.46 + 3098 41 34.599000 25.586000 16.439000 204 " " P A 2 "PRO " " HD2" 1 0 0 1 3098 65.46 + 3099 41 34.193000 25.599000 18.165000 204 " " P A 2 "PRO " " HD3" 1 0 0 1 3099 65.46 + 3100 25 31.124000 21.754000 15.380000 205 " " I A 2 "ILE " " N " 7 0 2 1 3100 44.71 + 3101 3 30.838000 20.743000 14.363000 205 " " I A 2 "ILE " " CA " 6 0 2 1 3101 44.71 + 3102 2 29.987000 21.411000 13.260000 205 " " I A 2 "ILE " " C " 6 0 2 1 3102 44.71 + 3103 15 28.761000 21.470000 13.363000 205 " " I A 2 "ILE " " O " 8 0 2 1 3103 19.43 + 3104 3 30.064000 19.516000 14.939000 205 " " I A 2 "ILE " " CB " 6 0 2 1 3104 19.43 + 3105 3 30.676000 18.919000 16.231000 205 " " I A 2 "ILE " " CG1" 6 0 2 1 3105 19.43 + 3106 3 29.849000 18.410000 13.885000 205 " " I A 2 "ILE " " CG2" 6 0 2 1 3106 19.43 + 3107 3 31.959000 18.102000 16.030000 205 " " I A 2 "ILE " " CD1" 6 0 2 1 3107 19.43 + 3108 43 30.471000 21.800000 16.153000 205 " " I A 2 "ILE " " H " 1 0 2 1 3108 44.71 + 3109 41 31.772000 20.387000 13.924000 205 " " I A 2 "ILE " " HA " 1 0 2 1 3109 44.71 + 3110 41 29.073000 19.856000 15.232000 205 " " I A 2 "ILE " " HB " 1 0 2 1 3110 19.43 + 3111 41 29.932000 18.266000 16.690000 205 " " I A 2 "ILE " "HG13" 1 0 2 1 3111 19.43 + 3112 41 30.859000 19.696000 16.973000 205 " " I A 2 "ILE " "HG12" 1 0 2 1 3112 19.43 + 3113 41 29.356000 17.546000 14.328000 205 " " I A 2 "ILE " "HG21" 1 0 2 1 3113 19.43 + 3114 41 29.234000 18.745000 13.050000 205 " " I A 2 "ILE " "HG22" 1 0 2 1 3114 19.43 + 3115 41 30.797000 18.066000 13.470000 205 " " I A 2 "ILE " "HG23" 1 0 2 1 3115 19.43 + 3116 41 32.510000 18.015000 16.966000 205 " " I A 2 "ILE " "HD11" 1 0 2 1 3116 19.43 + 3117 41 31.736000 17.093000 15.685000 205 " " I A 2 "ILE " "HD12" 1 0 2 1 3117 19.43 + 3118 41 32.623000 18.569000 15.302000 205 " " I A 2 "ILE " "HD13" 1 0 2 1 3118 19.43 + 3119 25 30.681000 21.960000 12.253000 206 " " V A 2 "VAL " " N " 7 0 2 1 3119 40.19 + 3120 3 30.091000 22.733000 11.162000 206 " " V A 2 "VAL " " CA " 6 0 2 1 3120 40.19 + 3121 2 29.738000 21.791000 9.993000 206 " " V A 2 "VAL " " C " 6 0 2 1 3121 40.19 + 3122 15 30.525000 20.893000 9.689000 206 " " V A 2 "VAL " " O " 8 0 2 1 3122 64.98 + 3123 3 31.102000 23.797000 10.639000 206 " " V A 2 "VAL " " CB " 6 0 2 1 3123 64.98 + 3124 3 30.491000 24.766000 9.610000 206 " " V A 2 "VAL " " CG1" 6 0 2 1 3124 64.98 + 3125 3 31.742000 24.609000 11.782000 206 " " V A 2 "VAL " " CG2" 6 0 2 1 3125 64.98 + 3126 43 31.688000 21.889000 12.249000 206 " " V A 2 "VAL " " H " 1 0 2 1 3126 40.19 + 3127 41 29.194000 23.244000 11.511000 206 " " V A 2 "VAL " " HA " 1 0 2 1 3127 40.19 + 3128 41 31.921000 23.284000 10.131000 206 " " V A 2 "VAL " " HB " 1 0 2 1 3128 64.98 + 3129 41 31.225000 25.500000 9.277000 206 " " V A 2 "VAL " "HG11" 1 0 2 1 3129 64.98 + 3130 41 30.135000 24.253000 8.718000 206 " " V A 2 "VAL " "HG12" 1 0 2 1 3130 64.98 + 3131 41 29.658000 25.315000 10.049000 206 " " V A 2 "VAL " "HG13" 1 0 2 1 3131 64.98 + 3132 41 32.275000 25.484000 11.408000 206 " " V A 2 "VAL " "HG21" 1 0 2 1 3132 64.98 + 3133 41 31.003000 24.953000 12.503000 206 " " V A 2 "VAL " "HG22" 1 0 2 1 3133 64.98 + 3134 41 32.472000 24.011000 12.324000 206 " " V A 2 "VAL " "HG23" 1 0 2 1 3134 64.98 + 3135 25 28.585000 22.021000 9.343000 207 " " K A 2 "LYS " " N " 7 0 2 1 3135 27.3 + 3136 3 28.176000 21.271000 8.153000 207 " " K A 2 "LYS " " CA " 6 0 2 1 3136 27.3 + 3137 2 27.403000 22.215000 7.229000 207 " " K A 2 "LYS " " C " 6 0 2 1 3137 27.3 + 3138 15 26.403000 22.779000 7.671000 207 " " K A 2 "LYS " " O " 8 0 2 1 3138 28.86 + 3139 3 27.334000 20.039000 8.564000 207 " " K A 2 "LYS " " CB " 6 0 2 1 3139 28.86 + 3140 3 27.580000 18.807000 7.679000 207 " " K A 2 "LYS " " CG " 6 0 2 1 3140 28.86 + 3141 3 28.914000 18.117000 8.024000 207 " " K A 2 "LYS " " CD " 6 0 2 1 3141 28.86 + 3142 3 29.318000 16.987000 7.070000 207 " " K A 2 "LYS " " CE " 6 0 2 1 3142 28.86 + 3143 32 28.335000 15.893000 7.061000 207 " " K A 2 "LYS " " NZ " 7 1 2 1 3143 28.86 + 3144 43 27.960000 22.751000 9.659000 207 " " K A 2 "LYS " " H " 1 0 2 1 3144 27.3 + 3145 41 29.067000 20.951000 7.609000 207 " " K A 2 "LYS " " HA " 1 0 2 1 3145 27.3 + 3146 41 26.271000 20.287000 8.587000 207 " " K A 2 "LYS " " HB3" 1 0 2 1 3146 28.86 + 3147 41 27.575000 19.752000 9.588000 207 " " K A 2 "LYS " " HB2" 1 0 2 1 3147 28.86 + 3148 41 27.564000 19.097000 6.628000 207 " " K A 2 "LYS " " HG3" 1 0 2 1 3148 28.86 + 3149 41 26.757000 18.103000 7.813000 207 " " K A 2 "LYS " " HG2" 1 0 2 1 3149 28.86 + 3150 41 28.855000 17.718000 9.038000 207 " " K A 2 "LYS " " HD3" 1 0 2 1 3150 28.86 + 3151 41 29.723000 18.846000 8.047000 207 " " K A 2 "LYS " " HD2" 1 0 2 1 3151 28.86 + 3152 41 30.284000 16.586000 7.377000 207 " " K A 2 "LYS " " HE3" 1 0 2 1 3152 28.86 + 3153 41 29.439000 17.366000 6.055000 207 " " K A 2 "LYS " " HE2" 1 0 2 1 3153 28.86 + 3154 44 28.171000 15.573000 8.007000 207 " " K A 2 "LYS " " HZ1" 1 0 2 1 3154 28.86 + 3155 44 27.462000 16.222000 6.674000 207 " " K A 2 "LYS " " HZ2" 1 0 2 1 3155 28.86 + 3156 44 28.689000 15.125000 6.510000 207 " " K A 2 "LYS " " HZ3" 1 0 2 1 3156 28.86 + 3157 25 27.896000 22.395000 5.991000 208 " " S A 2 "SER " " N " 7 0 2 1 3157 22.51 + 3158 3 27.421000 23.423000 5.065000 208 " " S A 2 "SER " " CA " 6 0 2 1 3158 22.51 + 3159 2 27.031000 22.845000 3.697000 208 " " S A 2 "SER " " C " 6 0 2 1 3159 22.51 + 3160 15 27.540000 21.801000 3.288000 208 " " S A 2 "SER " " O " 8 0 2 1 3160 31.71 + 3161 3 28.530000 24.491000 4.911000 208 " " S A 2 "SER " " CB " 6 0 2 1 3161 31.71 + 3162 16 28.090000 25.626000 4.185000 208 " " S A 2 "SER " " OG " 8 0 2 1 3162 31.71 + 3163 43 28.703000 21.868000 5.688000 208 " " S A 2 "SER " " H " 1 0 2 1 3163 22.51 + 3164 41 26.538000 23.899000 5.484000 208 " " S A 2 "SER " " HA " 1 0 2 1 3164 22.51 + 3165 41 29.397000 24.069000 4.400000 208 " " S A 2 "SER " " HB3" 1 0 2 1 3165 31.71 + 3166 41 28.887000 24.821000 5.887000 208 " " S A 2 "SER " " HB2" 1 0 2 1 3166 31.71 + 3167 42 27.407000 26.073000 4.692000 208 " " S A 2 "SER " " HG " 1 0 2 1 3167 31.71 + 3168 25 26.189000 23.614000 2.994000 209 " " F A 2 "PHE " " N " 7 0 2 1 3168 27.51 + 3169 3 25.972000 23.542000 1.553000 209 " " F A 2 "PHE " " CA " 6 0 2 1 3169 27.51 + 3170 2 25.809000 24.988000 1.045000 209 " " F A 2 "PHE " " C " 6 0 2 1 3170 27.51 + 3171 15 25.527000 25.900000 1.828000 209 " " F A 2 "PHE " " O " 8 0 2 1 3171 14.47 + 3172 3 24.743000 22.648000 1.253000 209 " " F A 2 "PHE " " CB " 6 0 2 1 3172 14.47 + 3173 2 23.380000 23.310000 1.371000 209 " " F A 2 "PHE " " CG " 6 0 2 1 3173 14.47 + 3174 2 22.753000 23.416000 2.626000 209 " " F A 2 "PHE " " CD1" 6 0 2 1 3174 14.47 + 3175 2 22.809000 23.970000 0.261000 209 " " F A 2 "PHE " " CD2" 6 0 2 1 3175 14.47 + 3176 2 21.552000 24.097000 2.745000 209 " " F A 2 "PHE " " CE1" 6 0 2 1 3176 14.47 + 3177 2 21.630000 24.681000 0.407000 209 " " F A 2 "PHE " " CE2" 6 0 2 1 3177 14.47 + 3178 2 20.998000 24.732000 1.642000 209 " " F A 2 "PHE " " CZ " 6 0 2 1 3178 14.47 + 3179 43 25.811000 24.446000 3.429000 209 " " F A 2 "PHE " " H " 1 0 2 1 3179 27.51 + 3180 41 26.857000 23.109000 1.082000 209 " " F A 2 "PHE " " HA " 1 0 2 1 3180 27.51 + 3181 41 24.758000 21.767000 1.897000 209 " " F A 2 "PHE " " HB3" 1 0 2 1 3181 14.47 + 3182 41 24.833000 22.261000 0.237000 209 " " F A 2 "PHE " " HB2" 1 0 2 1 3182 14.47 + 3183 41 23.207000 22.962000 3.491000 209 " " F A 2 "PHE " " HD1" 1 0 2 1 3183 14.47 + 3184 41 23.292000 23.926000 -0.703000 209 " " F A 2 "PHE " " HD2" 1 0 2 1 3184 14.47 + 3185 41 21.068000 24.154000 3.708000 209 " " F A 2 "PHE " " HE1" 1 0 2 1 3185 14.47 + 3186 41 21.209000 25.189000 -0.445000 209 " " F A 2 "PHE " " HE2" 1 0 2 1 3186 14.47 + 3187 41 20.074000 25.275000 1.751000 209 " " F A 2 "PHE " " HZ " 1 0 2 1 3187 14.47 + 3188 25 25.959000 25.154000 -0.277000 210 " " N A 2 "ASN " " N " 7 0 2 1 3188 81.47 + 3189 3 25.668000 26.388000 -1.010000 210 " " N A 2 "ASN " " CA " 6 0 2 1 3189 81.47 + 3190 2 24.559000 26.087000 -2.022000 210 " " N A 2 "ASN " " C " 6 0 2 1 3190 81.47 + 3191 15 24.657000 25.112000 -2.769000 210 " " N A 2 "ASN " " O " 8 0 2 1 3191 84.59 + 3192 3 26.956000 26.879000 -1.715000 210 " " N A 2 "ASN " " CB " 6 0 2 1 3192 84.59 + 3193 2 27.870000 27.780000 -0.872000 210 " " N A 2 "ASN " " CG " 6 0 2 1 3193 84.59 + 3194 15 28.520000 28.670000 -1.413000 210 " " N A 2 "ASN " " OD1" 8 0 2 1 3194 84.59 + 3195 25 27.947000 27.567000 0.443000 210 " " N A 2 "ASN " " ND2" 7 0 2 1 3195 84.59 + 3196 43 26.182000 24.356000 -0.855000 210 " " N A 2 "ASN " " H " 1 0 2 1 3196 81.47 + 3197 41 25.341000 27.138000 -0.293000 210 " " N A 2 "ASN " " HA " 1 0 2 1 3197 81.47 + 3198 41 26.677000 27.485000 -2.575000 210 " " N A 2 "ASN " " HB3" 1 0 2 1 3198 84.59 + 3199 41 27.528000 26.045000 -2.126000 210 " " N A 2 "ASN " " HB2" 1 0 2 1 3199 84.59 + 3200 43 28.563000 28.130000 1.009000 210 " " N A 2 "ASN " "HD22" 1 0 2 1 3200 84.59 + 3201 43 27.401000 26.835000 0.876000 210 " " N A 2 "ASN " "HD21" 1 0 2 1 3201 84.59 + 3202 25 23.536000 26.955000 -2.030000 211 " " R A 2 "ARG " " N " 7 0 0 1 3202 65.92 + 3203 3 22.448000 26.972000 -3.004000 211 " " R A 2 "ARG " " CA " 6 0 0 1 3203 65.92 + 3204 2 22.951000 27.543000 -4.344000 211 " " R A 2 "ARG " " C " 6 0 0 1 3204 65.92 + 3205 15 22.811000 28.742000 -4.598000 211 " " R A 2 "ARG " " O " 8 0 0 1 3205 72.89 + 3206 3 21.288000 27.790000 -2.408000 211 " " R A 2 "ARG " " CB " 6 0 0 1 3206 72.89 + 3207 3 20.057000 27.958000 -3.333000 211 " " R A 2 "ARG " " CG " 6 0 0 1 3207 72.89 + 3208 3 19.219000 29.171000 -2.939000 211 " " R A 2 "ARG " " CD " 6 0 0 1 3208 72.89 + 3209 25 19.976000 30.408000 -3.161000 211 " " R A 2 "ARG " " NE " 7 0 0 1 3209 72.89 + 3210 2 20.089000 31.088000 -4.311000 211 " " R A 2 "ARG " " CZ " 6 0 0 1 3210 72.89 + 3211 25 19.430000 30.713000 -5.416000 211 " " R A 2 "ARG " " NH1" 7 0 0 1 3211 72.89 + 3212 31 20.879000 32.167000 -4.339000 211 " " R A 2 "ARG " " NH2" 7 1 0 1 3212 72.89 + 3213 43 23.550000 27.729000 -1.379000 211 " " R A 2 "ARG " " H " 1 0 0 1 3213 65.92 + 3214 41 22.096000 25.950000 -3.165000 211 " " R A 2 "ARG " " HA " 1 0 0 1 3214 65.92 + 3215 41 21.689000 28.770000 -2.145000 211 " " R A 2 "ARG " " HB3" 1 0 0 1 3215 72.89 + 3216 41 20.969000 27.356000 -1.461000 211 " " R A 2 "ARG " " HB2" 1 0 0 1 3216 72.89 + 3217 41 19.468000 27.050000 -3.453000 211 " " R A 2 "ARG " " HG3" 1 0 0 1 3217 72.89 + 3218 41 20.398000 28.181000 -4.340000 211 " " R A 2 "ARG " " HG2" 1 0 0 1 3218 72.89 + 3219 41 19.105000 29.139000 -1.857000 211 " " R A 2 "ARG " " HD3" 1 0 0 1 3219 72.89 + 3220 41 18.210000 29.169000 -3.350000 211 " " R A 2 "ARG " " HD2" 1 0 0 1 3220 72.89 + 3221 43 20.481000 30.763000 -2.356000 211 " " R A 2 "ARG " " HE " 1 0 0 1 3221 72.89 + 3222 43 19.522000 31.238000 -6.274000 211 " " R A 2 "ARG " "HH12" 1 0 0 1 3222 72.89 + 3223 43 18.832000 29.899000 -5.394000 211 " " R A 2 "ARG " "HH11" 1 0 0 1 3223 72.89 + 3224 44 20.973000 32.718000 -5.179000 211 " " R A 2 "ARG " "HH22" 1 0 0 1 3224 72.89 + 3225 44 21.351000 32.462000 -3.495000 211 " " R A 2 "ARG " "HH21" 1 0 0 1 3225 72.89 + 3226 25 23.527000 26.663000 -5.171000 212 " " N A 2 "ASN " " N " 7 0 0 1 3226 68.27 + 3227 3 23.966000 26.970000 -6.527000 212 " " N A 2 "ASN " " CA " 6 0 0 1 3227 68.27 + 3228 2 23.279000 25.981000 -7.469000 212 " " N A 2 "ASN " " C " 6 0 0 1 3228 68.27 + 3229 15 23.927000 25.083000 -8.008000 212 " " N A 2 "ASN " " O " 8 0 0 1 3229 48.08 + 3230 3 25.513000 26.945000 -6.620000 212 " " N A 2 "ASN " " CB " 6 0 0 1 3230 48.08 + 3231 2 26.202000 28.125000 -5.924000 212 " " N A 2 "ASN " " CG " 6 0 0 1 3231 48.08 + 3232 15 27.090000 27.934000 -5.098000 212 " " N A 2 "ASN " " OD1" 8 0 0 1 3232 48.08 + 3233 25 25.816000 29.355000 -6.272000 212 " " N A 2 "ASN " " ND2" 7 0 0 1 3233 48.08 + 3234 43 23.621000 25.699000 -4.882000 212 " " N A 2 "ASN " " H " 1 0 0 1 3234 68.27 + 3235 41 23.615000 27.965000 -6.811000 212 " " N A 2 "ASN " " HA " 1 0 0 1 3235 68.27 + 3236 41 25.815000 26.993000 -7.668000 212 " " N A 2 "ASN " " HB3" 1 0 0 1 3236 48.08 + 3237 41 25.907000 26.004000 -6.231000 212 " " N A 2 "ASN " " HB2" 1 0 0 1 3237 48.08 + 3238 43 26.240000 30.161000 -5.838000 212 " " N A 2 "ASN " "HD22" 1 0 0 1 3238 48.08 + 3239 43 25.086000 29.489000 -6.957000 212 " " N A 2 "ASN " "HD21" 1 0 0 1 3239 48.08 + 3240 25 21.970000 26.210000 -7.675000 213 " " E A 2 "GLU " " N " 7 0 0 1 3240 97.62 + 3241 3 21.177000 25.624000 -8.758000 213 " " E A 2 "GLU " " CA " 6 0 0 1 3241 97.62 + 3242 2 21.481000 26.420000 -10.042000 213 " " E A 2 "GLU " " C " 6 0 0 1 3242 97.62 + 3243 15 20.690000 27.271000 -10.450000 213 " " E A 2 "GLU " " O " 8 0 0 1 3243 102.03 + 3244 3 19.669000 25.621000 -8.385000 213 " " E A 2 "GLU " " CB " 6 0 0 1 3244 102.03 + 3245 3 19.193000 24.437000 -7.513000 213 " " E A 2 "GLU " " CG " 6 0 0 1 3245 102.03 + 3246 2 19.762000 24.406000 -6.092000 213 " " E A 2 "GLU " " CD " 6 0 0 1 3246 102.03 + 3247 15 20.881000 23.873000 -5.932000 213 " " E A 2 "GLU " " OE1" 8 0 0 1 3247 102.03 + 3248 18 19.058000 24.901000 -5.184000 213 " " E A 2 "GLU " " OE2" 8 -1 0 1 3248 102.03 + 3249 43 21.515000 26.943000 -7.152000 213 " " E A 2 "GLU " " H " 1 0 0 1 3249 97.62 + 3250 41 21.488000 24.592000 -8.932000 213 " " E A 2 "GLU " " HA " 1 0 0 1 3250 97.62 + 3251 41 19.068000 25.607000 -9.295000 213 " " E A 2 "GLU " " HB3" 1 0 0 1 3251 102.03 + 3252 41 19.410000 26.557000 -7.886000 213 " " E A 2 "GLU " " HB2" 1 0 0 1 3252 102.03 + 3253 41 19.438000 23.495000 -8.005000 213 " " E A 2 "GLU " " HG3" 1 0 0 1 3253 102.03 + 3254 41 18.105000 24.461000 -7.441000 213 " " E A 2 "GLU " " HG2" 1 0 0 1 3254 102.03 + 3255 25 22.686000 26.179000 -10.586000 214 " " C A 2 "CYS " " N " 7 0 0 1 3255 88.86 + 3256 3 23.354000 26.981000 -11.618000 214 " " C A 2 "CYS " " CA " 6 0 0 1 3256 88.86 + 3257 2 24.047000 25.960000 -12.582000 214 " " C A 2 "CYS " " C " 6 0 0 1 3257 88.86 + 3258 15 23.260000 25.185000 -13.172000 214 " " C A 2 "CYS " " O " 8 0 0 1 3258 91.66 + 3259 3 24.341000 28.034000 -11.024000 214 " " C A 2 "CYS " " CB " 6 0 0 1 3259 91.66 + 3260 49 23.587000 29.182000 -9.830000 214 " " C A 2 "CYS " " SG " 16 0 0 1 3260 91.66 + 3261 43 23.245000 25.430000 -10.201000 214 " " C A 2 "CYS " " H " 1 0 0 1 3261 88.86 + 3262 41 22.601000 27.483000 -12.230000 214 " " C A 2 "CYS " " HA " 1 0 0 1 3262 88.86 + 3263 41 24.792000 28.624000 -11.823000 214 " " C A 2 "CYS " " HB3" 1 0 0 1 3263 91.66 + 3264 41 25.160000 27.535000 -10.502000 214 " " C A 2 "CYS " " HB2" 1 0 0 1 3264 91.66 + 3265 41 22.783000 29.785000 -10.710000 214 " " C A 2 "CYS " " HG " 1 0 0 1 3265 91.66 + 3266 25 25.422000 26.040000 -12.665000 214 "A" X A 2 "NMA " " N " 7 0 0 1 3266 <> + 3267 3 26.152000 25.133000 -13.539000 214 "A" X A 2 "NMA " " CA " 6 0 0 1 3267 <> + 3268 43 25.921000 26.727000 -12.120000 214 "A" X A 2 "NMA " " H " 1 0 0 1 3268 <> + 3269 41 25.425000 24.460000 -14.046000 214 "A" X A 2 "NMA " "1HA " 1 0 0 1 3269 <> + 3270 41 26.718000 25.717000 -14.299000 214 "A" X A 2 "NMA " "2HA " 1 0 0 1 3270 <> + 3271 41 26.869000 24.529000 -12.939000 214 "A" X A 2 "NMA " "3HA " 1 0 0 1 3271 <> + 3272 3 -1.350000 -11.373000 19.719000 0 " " X B 2 "ACE " " CH3" 6 0 0 1 3273 <> + 3273 2 -2.549000 -12.248000 20.086000 0 " " X B 2 "ACE " " C " 6 0 0 1 3274 <> + 3274 15 -2.845000 -12.413000 21.267000 0 " " X B 2 "ACE " " O " 8 0 0 1 3275 <> + 3275 41 -0.879000 -10.981000 20.648000 0 " " X B 2 "ACE " "1H " 1 0 0 1 3276 <> + 3276 41 -0.607000 -11.978000 19.152000 0 " " X B 2 "ACE " "2H " 1 0 0 1 3277 <> + 3277 41 -1.688000 -10.524000 19.084000 0 " " X B 2 "ACE " "3H " 1 0 0 1 3278 <> + 3278 25 -3.298000 -12.851000 19.096000 1 " " E B 2 "GLU " " N " 7 0 0 1 3279 67.45 + 3279 3 -4.473000 -13.707000 19.462000 1 " " E B 2 "GLU " " CA " 6 0 0 1 3280 67.45 + 3280 2 -5.429000 -12.712000 20.150000 1 " " E B 2 "GLU " " C " 6 0 0 1 3281 67.45 + 3281 15 -6.419000 -12.326000 19.528000 1 " " E B 2 "GLU " " O " 8 0 0 1 3282 95.86 + 3282 3 -4.016000 -14.951000 20.270000 1 " " E B 2 "GLU " " CB " 6 0 0 1 3283 95.86 + 3283 3 -5.094000 -16.019000 20.560000 1 " " E B 2 "GLU " " CG " 6 0 0 1 3284 95.86 + 3284 2 -6.021000 -15.687000 21.727000 1 " " E B 2 "GLU " " CD " 6 0 0 1 3285 95.86 + 3285 15 -5.480000 -15.409000 22.819000 1 " " E B 2 "GLU " " OE1" 8 0 0 1 3286 95.86 + 3286 18 -7.250000 -15.730000 21.506000 1 " " E B 2 "GLU " " OE2" 8 -1 0 1 3287 95.86 + 3287 43 -3.055000 -12.715000 18.125000 1 " " E B 2 "GLU " " H2 " 1 0 0 1 3288 67.45 + 3288 41 -4.885000 -14.020000 18.501000 1 " " E B 2 "GLU " " HA " 1 0 0 1 3289 67.45 + 3289 41 -3.538000 -14.642000 21.202000 1 " " E B 2 "GLU " " HB3" 1 0 0 1 3290 95.86 + 3290 41 -3.226000 -15.448000 19.706000 1 " " E B 2 "GLU " " HB2" 1 0 0 1 3291 95.86 + 3291 41 -4.603000 -16.960000 20.810000 1 " " E B 2 "GLU " " HG3" 1 0 0 1 3292 95.86 + 3292 41 -5.680000 -16.214000 19.661000 1 " " E B 2 "GLU " " HG2" 1 0 0 1 3293 95.86 + 3293 25 -5.101000 -12.279000 21.383000 2 " " I B 2 "ILE " " N " 7 0 0 1 3294 59.69 + 3294 3 -5.786000 -11.183000 22.069000 2 " " I B 2 "ILE " " CA " 6 0 0 1 3295 59.69 + 3295 2 -5.289000 -9.817000 21.556000 2 " " I B 2 "ILE " " C " 6 0 0 1 3296 59.69 + 3296 15 -4.089000 -9.668000 21.323000 2 " " I B 2 "ILE " " O " 8 0 0 1 3297 26.84 + 3297 3 -5.606000 -11.265000 23.616000 2 " " I B 2 "ILE " " CB " 6 0 0 1 3298 26.84 + 3298 3 -6.415000 -12.445000 24.191000 2 " " I B 2 "ILE " " CG1" 6 0 0 1 3299 26.84 + 3299 3 -5.970000 -9.978000 24.393000 2 " " I B 2 "ILE " " CG2" 6 0 0 1 3300 26.84 + 3300 3 -5.783000 -13.086000 25.432000 2 " " I B 2 "ILE " " CD1" 6 0 0 1 3301 26.84 + 3301 43 -4.305000 -12.671000 21.866000 2 " " I B 2 "ILE " " H " 1 0 0 1 3302 59.69 + 3302 41 -6.842000 -11.283000 21.858000 2 " " I B 2 "ILE " " HA " 1 0 0 1 3303 59.69 + 3303 41 -4.551000 -11.468000 23.806000 2 " " I B 2 "ILE " " HB " 1 0 0 1 3304 26.84 + 3304 41 -6.537000 -13.221000 23.439000 2 " " I B 2 "ILE " "HG13" 1 0 0 1 3305 26.84 + 3305 41 -7.428000 -12.121000 24.418000 2 " " I B 2 "ILE " "HG12" 1 0 0 1 3306 26.84 + 3306 41 -5.977000 -10.145000 25.469000 2 " " I B 2 "ILE " "HG21" 1 0 0 1 3307 26.84 + 3307 41 -5.270000 -9.168000 24.200000 2 " " I B 2 "ILE " "HG22" 1 0 0 1 3308 26.84 + 3308 41 -6.957000 -9.616000 24.117000 2 " " I B 2 "ILE " "HG23" 1 0 0 1 3309 26.84 + 3309 41 -6.431000 -13.864000 25.835000 2 " " I B 2 "ILE " "HD11" 1 0 0 1 3310 26.84 + 3310 41 -4.826000 -13.548000 25.186000 2 " " I B 2 "ILE " "HD12" 1 0 0 1 3311 26.84 + 3311 41 -5.609000 -12.355000 26.219000 2 " " I B 2 "ILE " "HD13" 1 0 0 1 3312 26.84 + 3312 25 -6.209000 -8.843000 21.440000 3 " " Q B 2 "GLN " " N " 7 0 2 1 3313 23.64 + 3313 3 -5.895000 -7.440000 21.157000 3 " " Q B 2 "GLN " " CA " 6 0 2 1 3314 23.64 + 3314 2 -7.093000 -6.521000 21.442000 3 " " Q B 2 "GLN " " C " 6 0 2 1 3315 23.64 + 3315 15 -8.243000 -6.945000 21.329000 3 " " Q B 2 "GLN " " O " 8 0 2 1 3316 72.62 + 3316 3 -5.360000 -7.245000 19.717000 3 " " Q B 2 "GLN " " CB " 6 0 2 1 3317 72.62 + 3317 3 -6.325000 -7.689000 18.602000 3 " " Q B 2 "GLN " " CG " 6 0 2 1 3318 72.62 + 3318 2 -5.788000 -7.359000 17.210000 3 " " Q B 2 "GLN " " CD " 6 0 2 1 3319 72.62 + 3319 15 -5.439000 -6.215000 16.931000 3 " " Q B 2 "GLN " " OE1" 8 0 2 1 3320 72.62 + 3320 25 -5.748000 -8.353000 16.321000 3 " " Q B 2 "GLN " " NE2" 7 0 2 1 3321 72.62 + 3321 43 -7.180000 -9.047000 21.636000 3 " " Q B 2 "GLN " " H " 1 0 2 1 3322 23.64 + 3322 41 -5.105000 -7.149000 21.853000 3 " " Q B 2 "GLN " " HA " 1 0 2 1 3323 23.64 + 3323 41 -4.409000 -7.765000 19.599000 3 " " Q B 2 "GLN " " HB3" 1 0 2 1 3324 72.62 + 3324 41 -5.120000 -6.189000 19.583000 3 " " Q B 2 "GLN " " HB2" 1 0 2 1 3325 72.62 + 3325 41 -7.277000 -7.172000 18.705000 3 " " Q B 2 "GLN " " HG3" 1 0 2 1 3326 72.62 + 3326 41 -6.532000 -8.758000 18.682000 3 " " Q B 2 "GLN " " HG2" 1 0 2 1 3327 72.62 + 3327 43 -5.413000 -8.175000 15.386000 3 " " Q B 2 "GLN " "HE22" 1 0 2 1 3328 72.62 + 3328 43 -6.057000 -9.280000 16.572000 3 " " Q B 2 "GLN " "HE21" 1 0 2 1 3329 72.62 + 3329 25 -6.771000 -5.263000 21.775000 4 " " L B 2 "LEU " " N " 7 0 2 1 3330 23.85 + 3330 3 -7.706000 -4.160000 21.980000 4 " " L B 2 "LEU " " CA " 6 0 2 1 3331 23.85 + 3331 2 -7.341000 -3.083000 20.942000 4 " " L B 2 "LEU " " C " 6 0 2 1 3332 23.85 + 3332 15 -6.172000 -2.701000 20.880000 4 " " L B 2 "LEU " " O " 8 0 2 1 3333 18.22 + 3333 3 -7.557000 -3.596000 23.417000 4 " " L B 2 "LEU " " CB " 6 0 2 1 3334 18.22 + 3334 3 -8.038000 -4.506000 24.577000 4 " " L B 2 "LEU " " CG " 6 0 2 1 3335 18.22 + 3335 3 -7.087000 -5.693000 24.833000 4 " " L B 2 "LEU " " CD1" 6 0 2 1 3336 18.22 + 3336 3 -8.201000 -3.679000 25.871000 4 " " L B 2 "LEU " " CD2" 6 0 2 1 3337 18.22 + 3337 43 -5.796000 -5.005000 21.824000 4 " " L B 2 "LEU " " H " 1 0 2 1 3338 23.85 + 3338 41 -8.734000 -4.483000 21.831000 4 " " L B 2 "LEU " " HA " 1 0 2 1 3339 23.85 + 3339 41 -8.143000 -2.678000 23.457000 4 " " L B 2 "LEU " " HB3" 1 0 2 1 3340 18.22 + 3340 41 -6.527000 -3.293000 23.599000 4 " " L B 2 "LEU " " HB2" 1 0 2 1 3341 18.22 + 3341 41 -9.020000 -4.909000 24.323000 4 " " L B 2 "LEU " " HG " 1 0 2 1 3342 18.22 + 3342 41 -6.999000 -5.953000 25.887000 4 " " L B 2 "LEU " "HD11" 1 0 2 1 3343 18.22 + 3343 41 -7.427000 -6.589000 24.320000 4 " " L B 2 "LEU " "HD12" 1 0 2 1 3344 18.22 + 3344 41 -6.080000 -5.483000 24.472000 4 " " L B 2 "LEU " "HD13" 1 0 2 1 3345 18.22 + 3345 41 -7.947000 -4.232000 26.775000 4 " " L B 2 "LEU " "HD21" 1 0 2 1 3346 18.22 + 3346 41 -7.563000 -2.795000 25.862000 4 " " L B 2 "LEU " "HD22" 1 0 2 1 3347 18.22 + 3347 41 -9.224000 -3.337000 25.995000 4 " " L B 2 "LEU " "HD23" 1 0 2 1 3348 18.22 + 3348 25 -8.320000 -2.616000 20.149000 5 " " Q B 2 "GLN " " N " 7 0 2 1 3349 9.26 + 3349 3 -8.101000 -1.625000 19.085000 5 " " Q B 2 "GLN " " CA " 6 0 2 1 3350 9.26 + 3350 2 -8.963000 -0.376000 19.266000 5 " " Q B 2 "GLN " " C " 6 0 2 1 3351 9.26 + 3351 15 -10.154000 -0.475000 19.558000 5 " " Q B 2 "GLN " " O " 8 0 2 1 3352 62.42 + 3352 3 -8.239000 -2.246000 17.680000 5 " " Q B 2 "GLN " " CB " 6 0 2 1 3353 62.42 + 3353 3 -9.500000 -3.100000 17.441000 5 " " Q B 2 "GLN " " CG " 6 0 2 1 3354 62.42 + 3354 2 -9.131000 -4.535000 17.072000 5 " " Q B 2 "GLN " " CD " 6 0 2 1 3355 62.42 + 3355 15 -8.660000 -4.790000 15.967000 5 " " Q B 2 "GLN " " OE1" 8 0 2 1 3356 62.42 + 3356 25 -9.333000 -5.474000 17.997000 5 " " Q B 2 "GLN " " NE2" 7 0 2 1 3357 62.42 + 3357 43 -9.264000 -2.963000 20.254000 5 " " Q B 2 "GLN " " H " 1 0 2 1 3358 9.26 + 3358 41 -7.069000 -1.278000 19.137000 5 " " Q B 2 "GLN " " HA " 1 0 2 1 3359 9.26 + 3359 41 -7.335000 -2.827000 17.485000 5 " " Q B 2 "GLN " " HB3" 1 0 2 1 3360 62.42 + 3360 41 -8.211000 -1.451000 16.932000 5 " " Q B 2 "GLN " " HB2" 1 0 2 1 3361 62.42 + 3361 41 -10.081000 -2.676000 16.622000 5 " " Q B 2 "GLN " " HG3" 1 0 2 1 3362 62.42 + 3362 41 -10.157000 -3.087000 18.306000 5 " " Q B 2 "GLN " " HG2" 1 0 2 1 3363 62.42 + 3363 43 -9.094000 -6.435000 17.800000 5 " " Q B 2 "GLN " "HE22" 1 0 2 1 3364 62.42 + 3364 43 -9.708000 -5.223000 18.903000 5 " " Q B 2 "GLN " "HE21" 1 0 2 1 3365 62.42 + 3365 25 -8.302000 0.776000 19.087000 6 " " Q B 2 "GLN " " N " 7 0 2 1 3366 2.48 + 3366 3 -8.818000 2.104000 19.383000 6 " " Q B 2 "GLN " " CA " 6 0 2 1 3367 2.48 + 3367 2 -8.664000 3.050000 18.176000 6 " " Q B 2 "GLN " " C " 6 0 2 1 3368 2.48 + 3368 15 -7.941000 2.736000 17.230000 6 " " Q B 2 "GLN " " O " 8 0 2 1 3369 2.48 + 3369 3 -8.049000 2.633000 20.604000 6 " " Q B 2 "GLN " " CB " 6 0 2 1 3370 2.48 + 3370 3 -8.235000 1.809000 21.896000 6 " " Q B 2 "GLN " " CG " 6 0 2 1 3371 2.48 + 3371 2 -7.589000 2.482000 23.106000 6 " " Q B 2 "GLN " " CD " 6 0 2 1 3372 2.48 + 3372 15 -6.784000 1.873000 23.806000 6 " " Q B 2 "GLN " " OE1" 8 0 2 1 3373 2.48 + 3373 25 -7.932000 3.746000 23.355000 6 " " Q B 2 "GLN " " NE2" 7 0 2 1 3374 2.48 + 3374 43 -7.324000 0.746000 18.839000 6 " " Q B 2 "GLN " " H " 1 0 2 1 3375 2.48 + 3375 41 -9.881000 2.053000 19.623000 6 " " Q B 2 "GLN " " HA " 1 0 2 1 3376 2.48 + 3376 41 -8.417000 3.630000 20.793000 6 " " Q B 2 "GLN " " HB3" 1 0 2 1 3377 2.48 + 3377 41 -6.988000 2.726000 20.369000 6 " " Q B 2 "GLN " " HB2" 1 0 2 1 3378 2.48 + 3378 41 -7.806000 0.813000 21.781000 6 " " Q B 2 "GLN " " HG3" 1 0 2 1 3379 2.48 + 3379 41 -9.294000 1.671000 22.110000 6 " " Q B 2 "GLN " " HG2" 1 0 2 1 3380 2.48 + 3380 43 -7.487000 4.256000 24.106000 6 " " Q B 2 "GLN " "HE22" 1 0 2 1 3381 2.48 + 3381 43 -8.579000 4.228000 22.747000 6 " " Q B 2 "GLN " "HE21" 1 0 2 1 3382 2.48 + 3382 25 -9.370000 4.194000 18.241000 7 " " S B 2 "SER " " N " 7 0 0 1 3383 13.48 + 3383 3 -9.546000 5.183000 17.166000 7 " " S B 2 "SER " " CA " 6 0 0 1 3384 13.48 + 3384 2 -8.259000 5.810000 16.583000 7 " " S B 2 "SER " " C " 6 0 0 1 3385 13.48 + 3385 15 -8.304000 6.283000 15.448000 7 " " S B 2 "SER " " O " 8 0 0 1 3386 55.84 + 3386 3 -10.488000 6.295000 17.672000 7 " " S B 2 "SER " " CB " 6 0 0 1 3387 55.84 + 3387 16 -11.780000 5.781000 17.927000 7 " " S B 2 "SER " " OG " 8 0 0 1 3388 55.84 + 3388 43 -9.945000 4.357000 19.056000 7 " " S B 2 "SER " " H " 1 0 0 1 3389 13.48 + 3389 41 -10.038000 4.668000 16.339000 7 " " S B 2 "SER " " HA " 1 0 0 1 3390 13.48 + 3390 41 -10.586000 7.091000 16.932000 7 " " S B 2 "SER " " HB3" 1 0 0 1 3391 55.84 + 3391 41 -10.100000 6.754000 18.581000 7 " " S B 2 "SER " " HB2" 1 0 0 1 3392 55.84 + 3392 42 -12.384000 6.522000 18.026000 7 " " S B 2 "SER " " HG " 1 0 0 1 3393 55.84 + 3393 25 -7.149000 5.803000 17.346000 8 " " G B 2 "GLY " " N " 7 0 0 1 3394 8.74 + 3394 3 -5.823000 6.276000 16.933000 8 " " G B 2 "GLY " " CA " 6 0 0 1 3395 8.74 + 3395 2 -5.695000 7.804000 17.029000 8 " " G B 2 "GLY " " C " 6 0 0 1 3396 8.74 + 3396 15 -4.786000 8.302000 17.694000 8 " " G B 2 "GLY " " O " 8 0 0 1 3397 10.3 + 3397 43 -7.197000 5.367000 18.254000 8 " " G B 2 "GLY " " H " 1 0 0 1 3398 8.74 + 3398 41 -5.606000 5.957000 15.912000 8 " " G B 2 "GLY " " HA3" 1 0 0 1 3399 8.74 + 3399 41 -5.076000 5.809000 17.576000 8 " " G B 2 "GLY " " HA2" 1 0 0 1 3400 8.74 + 3400 25 -6.612000 8.538000 16.383000 9 " " A B 2 "ALA " " N " 7 0 2 1 3401 2.48 + 3401 3 -6.692000 9.994000 16.398000 9 " " A B 2 "ALA " " CA " 6 0 2 1 3402 2.48 + 3402 2 -8.153000 10.429000 16.405000 9 " " A B 2 "ALA " " C " 6 0 2 1 3403 2.48 + 3403 15 -9.025000 9.689000 15.945000 9 " " A B 2 "ALA " " O " 8 0 2 1 3404 70.05 + 3404 3 -5.970000 10.556000 15.175000 9 " " A B 2 "ALA " " CB " 6 0 2 1 3405 70.05 + 3405 43 -7.345000 8.067000 15.868000 9 " " A B 2 "ALA " " H " 1 0 2 1 3406 2.48 + 3406 41 -6.219000 10.382000 17.303000 9 " " A B 2 "ALA " " HA " 1 0 2 1 3407 2.48 + 3407 41 -5.982000 11.646000 15.181000 9 " " A B 2 "ALA " " HB1" 1 0 2 1 3408 70.05 + 3408 41 -4.933000 10.241000 15.185000 9 " " A B 2 "ALA " " HB2" 1 0 2 1 3409 70.05 + 3409 41 -6.423000 10.208000 14.247000 9 " " A B 2 "ALA " " HB3" 1 0 2 1 3410 70.05 + 3410 25 -8.382000 11.633000 16.946000 10 " " E B 2 "GLU " " N " 7 0 2 1 3411 8.93 + 3411 3 -9.715000 12.157000 17.191000 10 " " E B 2 "GLU " " CA " 6 0 2 1 3412 8.93 + 3412 2 -9.590000 13.665000 17.450000 10 " " E B 2 "GLU " " C " 6 0 2 1 3413 8.93 + 3413 15 -9.030000 14.054000 18.475000 10 " " E B 2 "GLU " " O " 8 0 2 1 3414 30.2 + 3414 3 -10.323000 11.388000 18.396000 10 " " E B 2 "GLU " " CB " 6 0 2 1 3415 30.2 + 3415 3 -11.833000 11.576000 18.604000 10 " " E B 2 "GLU " " CG " 6 0 2 1 3416 30.2 + 3416 2 -12.658000 10.923000 17.495000 10 " " E B 2 "GLU " " CD " 6 0 2 1 3417 30.2 + 3417 15 -12.525000 9.689000 17.338000 10 " " E B 2 "GLU " " OE1" 8 0 2 1 3418 30.2 + 3418 18 -13.405000 11.669000 16.827000 10 " " E B 2 "GLU " " OE2" 8 -1 2 1 3419 30.2 + 3419 43 -7.615000 12.187000 17.300000 10 " " E B 2 "GLU " " H " 1 0 2 1 3420 8.93 + 3420 41 -10.322000 11.996000 16.297000 10 " " E B 2 "GLU " " HA " 1 0 2 1 3421 8.93 + 3421 41 -9.798000 11.676000 19.305000 10 " " E B 2 "GLU " " HB3" 1 0 2 1 3422 30.2 + 3422 41 -10.128000 10.318000 18.313000 10 " " E B 2 "GLU " " HB2" 1 0 2 1 3423 30.2 + 3423 41 -12.084000 12.633000 18.684000 10 " " E B 2 "GLU " " HG3" 1 0 2 1 3424 30.2 + 3424 41 -12.123000 11.111000 19.544000 10 " " E B 2 "GLU " " HG2" 1 0 2 1 3425 30.2 + 3425 25 -10.112000 14.485000 16.523000 11 " " L B 2 "LEU " " N " 7 0 2 1 3426 25.49 + 3426 3 -10.244000 15.932000 16.697000 11 " " L B 2 "LEU " " CA " 6 0 2 1 3427 25.49 + 3427 2 -11.690000 16.234000 17.100000 11 " " L B 2 "LEU " " C " 6 0 2 1 3428 25.49 + 3428 15 -12.606000 15.746000 16.438000 11 " " L B 2 "LEU " " O " 8 0 2 1 3429 2.48 + 3429 3 -9.887000 16.655000 15.380000 11 " " L B 2 "LEU " " CB " 6 0 2 1 3430 2.48 + 3430 3 -9.805000 18.197000 15.487000 11 " " L B 2 "LEU " " CG " 6 0 2 1 3431 2.48 + 3431 3 -8.751000 18.692000 16.499000 11 " " L B 2 "LEU " " CD1" 6 0 2 1 3432 2.48 + 3432 3 -9.570000 18.799000 14.097000 11 " " L B 2 "LEU " " CD2" 6 0 2 1 3433 2.48 + 3433 43 -10.561000 14.095000 15.707000 11 " " L B 2 "LEU " " H " 1 0 2 1 3434 25.49 + 3434 41 -9.569000 16.272000 17.480000 11 " " L B 2 "LEU " " HA " 1 0 2 1 3435 25.49 + 3435 41 -10.625000 16.392000 14.620000 11 " " L B 2 "LEU " " HB3" 1 0 2 1 3436 2.48 + 3436 41 -8.949000 16.268000 14.994000 11 " " L B 2 "LEU " " HB2" 1 0 2 1 3437 2.48 + 3437 41 -10.774000 18.568000 15.821000 11 " " L B 2 "LEU " " HG " 1 0 2 1 3438 2.48 + 3438 41 -8.108000 19.459000 16.074000 11 " " L B 2 "LEU " "HD11" 1 0 2 1 3439 2.48 + 3439 41 -9.229000 19.121000 17.381000 11 " " L B 2 "LEU " "HD12" 1 0 2 1 3440 2.48 + 3440 41 -8.097000 17.891000 16.838000 11 " " L B 2 "LEU " "HD13" 1 0 2 1 3441 2.48 + 3441 41 -9.535000 19.882000 14.128000 11 " " L B 2 "LEU " "HD21" 1 0 2 1 3442 2.48 + 3442 41 -8.631000 18.457000 13.667000 11 " " L B 2 "LEU " "HD22" 1 0 2 1 3443 2.48 + 3443 41 -10.369000 18.519000 13.410000 11 " " L B 2 "LEU " "HD23" 1 0 2 1 3444 2.48 + 3444 25 -11.870000 17.033000 18.161000 12 " " V B 2 "VAL " " N " 7 0 2 1 3445 19.02 + 3445 3 -13.194000 17.379000 18.677000 12 " " V B 2 "VAL " " CA " 6 0 2 1 3446 19.02 + 3446 2 -13.223000 18.870000 19.041000 12 " " V B 2 "VAL " " C " 6 0 2 1 3447 19.02 + 3447 15 -12.222000 19.413000 19.501000 12 " " V B 2 "VAL " " O " 8 0 2 1 3448 8.79 + 3448 3 -13.566000 16.559000 19.947000 12 " " V B 2 "VAL " " CB " 6 0 2 1 3449 8.79 + 3449 3 -15.045000 16.737000 20.344000 12 " " V B 2 "VAL " " CG1" 6 0 2 1 3450 8.79 + 3450 3 -13.282000 15.059000 19.792000 12 " " V B 2 "VAL " " CG2" 6 0 2 1 3451 8.79 + 3451 43 -11.075000 17.398000 18.671000 12 " " V B 2 "VAL " " H " 1 0 2 1 3452 19.02 + 3452 41 -13.954000 17.214000 17.912000 12 " " V B 2 "VAL " " HA " 1 0 2 1 3453 19.02 + 3453 41 -12.955000 16.903000 20.785000 12 " " V B 2 "VAL " " HB " 1 0 2 1 3454 8.79 + 3454 41 -15.334000 16.044000 21.132000 12 " " V B 2 "VAL " "HG11" 1 0 2 1 3455 8.79 + 3455 41 -15.240000 17.737000 20.723000 12 " " V B 2 "VAL " "HG12" 1 0 2 1 3456 8.79 + 3456 41 -15.710000 16.559000 19.499000 12 " " V B 2 "VAL " "HG13" 1 0 2 1 3457 8.79 + 3457 41 -13.532000 14.531000 20.708000 12 " " V B 2 "VAL " "HG21" 1 0 2 1 3458 8.79 + 3458 41 -13.860000 14.619000 18.978000 12 " " V B 2 "VAL " "HG22" 1 0 2 1 3459 8.79 + 3459 41 -12.228000 14.865000 19.600000 12 " " V B 2 "VAL " "HG23" 1 0 2 1 3460 8.79 + 3460 25 -14.381000 19.505000 18.826000 13 " " R B 2 "ARG " " N " 7 0 0 1 3461 16.62 + 3461 3 -14.617000 20.911000 19.145000 13 " " R B 2 "ARG " " CA " 6 0 0 1 3462 16.62 + 3462 2 -14.974000 21.068000 20.640000 13 " " R B 2 "ARG " " C " 6 0 0 1 3463 16.62 + 3463 15 -15.706000 20.226000 21.159000 13 " " R B 2 "ARG " " O " 8 0 0 1 3464 59.42 + 3464 3 -15.741000 21.435000 18.221000 13 " " R B 2 "ARG " " CB " 6 0 0 1 3465 59.42 + 3465 3 -15.491000 21.165000 16.719000 13 " " R B 2 "ARG " " CG " 6 0 0 1 3466 59.42 + 3466 3 -14.313000 21.961000 16.133000 13 " " R B 2 "ARG " " CD " 6 0 0 1 3467 59.42 + 3467 25 -13.880000 21.431000 14.832000 13 " " R B 2 "ARG " " NE " 7 0 0 1 3468 59.42 + 3468 2 -12.617000 21.138000 14.473000 13 " " R B 2 "ARG " " CZ " 6 0 0 1 3469 59.42 + 3469 25 -11.585000 21.289000 15.312000 13 " " R B 2 "ARG " " NH1" 7 0 0 1 3470 59.42 + 3470 31 -12.378000 20.681000 13.240000 13 " " R B 2 "ARG " " NH2" 7 1 0 1 3471 59.42 + 3471 43 -15.171000 18.993000 18.461000 13 " " R B 2 "ARG " " H " 1 0 0 1 3472 16.62 + 3472 41 -13.699000 21.450000 18.925000 13 " " R B 2 "ARG " " HA " 1 0 0 1 3473 16.62 + 3473 41 -15.879000 22.504000 18.384000 13 " " R B 2 "ARG " " HB3" 1 0 0 1 3474 59.42 + 3474 41 -16.685000 20.963000 18.499000 13 " " R B 2 "ARG " " HB2" 1 0 0 1 3475 59.42 + 3475 41 -16.392000 21.515000 16.213000 13 " " R B 2 "ARG " " HG3" 1 0 0 1 3476 59.42 + 3476 41 -15.418000 20.104000 16.480000 13 " " R B 2 "ARG " " HG2" 1 0 0 1 3477 59.42 + 3477 41 -13.507000 22.103000 16.843000 13 " " R B 2 "ARG " " HD3" 1 0 0 1 3478 59.42 + 3478 41 -14.668000 22.963000 15.890000 13 " " R B 2 "ARG " " HD2" 1 0 0 1 3479 59.42 + 3479 43 -14.611000 21.315000 14.145000 13 " " R B 2 "ARG " " HE " 1 0 0 1 3480 59.42 + 3480 43 -10.636000 21.144000 14.995000 13 " " R B 2 "ARG " "HH12" 1 0 0 1 3481 59.42 + 3481 43 -11.735000 21.588000 16.268000 13 " " R B 2 "ARG " "HH11" 1 0 0 1 3482 59.42 + 3482 44 -11.439000 20.434000 12.967000 13 " " R B 2 "ARG " "HH22" 1 0 0 1 3483 59.42 + 3483 44 -13.136000 20.553000 12.584000 13 " " R B 2 "ARG " "HH21" 1 0 0 1 3484 59.42 + 3484 25 -14.446000 22.113000 21.321000 14 " " P B 2 "PRO " " N " 7 0 0 1 3485 15.3 + 3485 3 -14.707000 22.340000 22.757000 14 " " P B 2 "PRO " " CA " 6 0 0 1 3486 15.3 + 3486 2 -16.199000 22.552000 23.078000 14 " " P B 2 "PRO " " C " 6 0 0 1 3487 15.3 + 3487 15 -16.896000 23.250000 22.342000 14 " " P B 2 "PRO " " O " 8 0 0 1 3488 8.93 + 3488 3 -13.856000 23.575000 23.097000 14 " " P B 2 "PRO " " CB " 6 0 0 1 3489 8.93 + 3489 3 -13.694000 24.312000 21.779000 14 " " P B 2 "PRO " " CG " 6 0 0 1 3490 8.93 + 3490 3 -13.610000 23.179000 20.765000 14 " " P B 2 "PRO " " CD " 6 0 0 1 3491 8.93 + 3491 41 -14.344000 21.483000 23.329000 14 " " P B 2 "PRO " " HA " 1 0 0 1 3492 15.3 + 3492 41 -12.879000 23.249000 23.458000 14 " " P B 2 "PRO " " HB3" 1 0 0 1 3493 8.93 + 3493 41 -14.289000 24.206000 23.874000 14 " " P B 2 "PRO " " HB2" 1 0 0 1 3494 8.93 + 3494 41 -12.831000 24.978000 21.756000 14 " " P B 2 "PRO " " HG3" 1 0 0 1 3495 8.93 + 3495 41 -14.586000 24.909000 21.584000 14 " " P B 2 "PRO " " HG2" 1 0 0 1 3496 8.93 + 3496 41 -13.931000 23.521000 19.781000 14 " " P B 2 "PRO " " HD2" 1 0 0 1 3497 8.93 + 3497 41 -12.587000 22.809000 20.691000 14 " " P B 2 "PRO " " HD3" 1 0 0 1 3498 8.93 + 3498 25 -16.649000 21.902000 24.160000 15 " " G B 2 "GLY " " N " 7 0 0 1 3499 21.1 + 3499 3 -18.027000 21.912000 24.642000 15 " " G B 2 "GLY " " CA " 6 0 0 1 3500 21.1 + 3500 2 -18.807000 20.687000 24.144000 15 " " G B 2 "GLY " " C " 6 0 0 1 3501 21.1 + 3501 15 -19.732000 20.258000 24.832000 15 " " G B 2 "GLY " " O " 8 0 0 1 3502 42.98 + 3502 43 -15.986000 21.381000 24.719000 15 " " G B 2 "GLY " " H " 1 0 0 1 3503 21.1 + 3503 41 -18.550000 22.822000 24.344000 15 " " G B 2 "GLY " " HA3" 1 0 0 1 3504 21.1 + 3504 41 -18.006000 21.902000 25.733000 15 " " G B 2 "GLY " " HA2" 1 0 0 1 3505 21.1 + 3505 25 -18.426000 20.096000 22.994000 16 " " A B 2 "ALA " " N " 7 0 0 1 3506 29.24 + 3506 3 -18.998000 18.849000 22.478000 16 " " A B 2 "ALA " " CA " 6 0 0 1 3507 29.24 + 3507 2 -18.601000 17.640000 23.342000 16 " " A B 2 "ALA " " C " 6 0 0 1 3508 29.24 + 3508 15 -17.679000 17.740000 24.152000 16 " " A B 2 "ALA " " O " 8 0 0 1 3509 50.96 + 3509 3 -18.540000 18.647000 21.024000 16 " " A B 2 "ALA " " CB " 6 0 0 1 3510 50.96 + 3510 43 -17.647000 20.476000 22.475000 16 " " A B 2 "ALA " " H " 1 0 0 1 3511 29.24 + 3511 41 -20.086000 18.944000 22.489000 16 " " A B 2 "ALA " " HA " 1 0 0 1 3512 29.24 + 3512 41 -19.094000 17.837000 20.547000 16 " " A B 2 "ALA " " HB1" 1 0 0 1 3513 50.96 + 3513 41 -18.701000 19.546000 20.427000 16 " " A B 2 "ALA " " HB2" 1 0 0 1 3514 50.96 + 3514 41 -17.484000 18.391000 20.967000 16 " " A B 2 "ALA " " HB3" 1 0 0 1 3515 50.96 + 3515 25 -19.302000 16.516000 23.138000 17 " " L B 2 "LEU " " N " 7 0 0 1 3516 10.06 + 3516 3 -18.965000 15.225000 23.735000 17 " " L B 2 "LEU " " CA " 6 0 0 1 3517 10.06 + 3517 2 -18.448000 14.286000 22.638000 17 " " L B 2 "LEU " " C " 6 0 0 1 3518 10.06 + 3518 15 -18.788000 14.445000 21.465000 17 " " L B 2 "LEU " " O " 8 0 0 1 3519 34.98 + 3519 3 -20.175000 14.696000 24.553000 17 " " L B 2 "LEU " " CB " 6 0 0 1 3520 34.98 + 3520 3 -21.379000 14.086000 23.801000 17 " " L B 2 "LEU " " CG " 6 0 0 1 3521 34.98 + 3521 3 -21.112000 12.659000 23.268000 17 " " L B 2 "LEU " " CD1" 6 0 0 1 3522 34.98 + 3522 3 -22.604000 14.084000 24.733000 17 " " L B 2 "LEU " " CD2" 6 0 0 1 3523 34.98 + 3523 43 -20.040000 16.503000 22.449000 17 " " L B 2 "LEU " " H " 1 0 0 1 3524 10.06 + 3524 41 -18.144000 15.353000 24.442000 17 " " L B 2 "LEU " " HA " 1 0 0 1 3525 10.06 + 3525 41 -20.527000 15.524000 25.171000 17 " " L B 2 "LEU " " HB3" 1 0 0 1 3526 34.98 + 3526 41 -19.841000 13.951000 25.268000 17 " " L B 2 "LEU " " HB2" 1 0 0 1 3527 34.98 + 3527 41 -21.620000 14.727000 22.952000 17 " " L B 2 "LEU " " HG " 1 0 0 1 3528 34.98 + 3528 41 -21.896000 11.955000 23.548000 17 " " L B 2 "LEU " "HD11" 1 0 0 1 3529 34.98 + 3529 41 -21.053000 12.656000 22.180000 17 " " L B 2 "LEU " "HD12" 1 0 0 1 3530 34.98 + 3530 41 -20.178000 12.246000 23.648000 17 " " L B 2 "LEU " "HD13" 1 0 0 1 3531 34.98 + 3531 41 -23.404000 13.447000 24.354000 17 " " L B 2 "LEU " "HD21" 1 0 0 1 3532 34.98 + 3532 41 -22.346000 13.734000 25.734000 17 " " L B 2 "LEU " "HD22" 1 0 0 1 3533 34.98 + 3533 41 -23.015000 15.088000 24.831000 17 " " L B 2 "LEU " "HD23" 1 0 0 1 3534 34.98 + 3534 25 -17.625000 13.322000 23.061000 18 " " V B 2 "VAL " " N " 7 0 2 1 3535 14.24 + 3535 3 -16.968000 12.350000 22.196000 18 " " V B 2 "VAL " " CA " 6 0 2 1 3536 14.24 + 3536 2 -16.978000 10.984000 22.885000 18 " " V B 2 "VAL " " C " 6 0 2 1 3537 14.24 + 3537 15 -16.782000 10.924000 24.095000 18 " " V B 2 "VAL " " O " 8 0 2 1 3538 21.02 + 3538 3 -15.504000 12.776000 21.901000 18 " " V B 2 "VAL " " CB " 6 0 2 1 3539 21.02 + 3539 3 -14.637000 12.974000 23.163000 18 " " V B 2 "VAL " " CG1" 6 0 2 1 3540 21.02 + 3540 3 -14.793000 11.832000 20.912000 18 " " V B 2 "VAL " " CG2" 6 0 2 1 3541 21.02 + 3541 43 -17.420000 13.236000 24.048000 18 " " V B 2 "VAL " " H " 1 0 2 1 3542 14.24 + 3542 41 -17.512000 12.262000 21.253000 18 " " V B 2 "VAL " " HA " 1 0 2 1 3543 14.24 + 3543 41 -15.575000 13.746000 21.412000 18 " " V B 2 "VAL " " HB " 1 0 2 1 3544 21.02 + 3544 41 -13.721000 13.509000 22.925000 18 " " V B 2 "VAL " "HG11" 1 0 2 1 3545 21.02 + 3545 41 -15.148000 13.566000 23.922000 18 " " V B 2 "VAL " "HG12" 1 0 2 1 3546 21.02 + 3546 41 -14.353000 12.025000 23.619000 18 " " V B 2 "VAL " "HG13" 1 0 2 1 3547 21.02 + 3547 41 -13.802000 12.206000 20.669000 18 " " V B 2 "VAL " "HG21" 1 0 2 1 3548 21.02 + 3548 41 -14.668000 10.828000 21.315000 18 " " V B 2 "VAL " "HG22" 1 0 2 1 3549 21.02 + 3549 41 -15.348000 11.750000 19.978000 18 " " V B 2 "VAL " "HG23" 1 0 2 1 3550 21.02 + 3550 25 -17.191000 9.930000 22.085000 19 " " K B 2 "LYS " " N " 7 0 2 1 3551 4.45 + 3551 3 -17.268000 8.549000 22.537000 19 " " K B 2 "LYS " " CA " 6 0 2 1 3552 4.45 + 3552 2 -16.135000 7.756000 21.878000 19 " " K B 2 "LYS " " C " 6 0 2 1 3553 4.45 + 3553 15 -16.289000 7.279000 20.753000 19 " " K B 2 "LYS " " O " 8 0 2 1 3554 25.44 + 3554 3 -18.675000 8.013000 22.205000 19 " " K B 2 "LYS " " CB " 6 0 2 1 3555 25.44 + 3555 3 -18.994000 6.643000 22.825000 19 " " K B 2 "LYS " " CG " 6 0 2 1 3556 25.44 + 3556 3 -20.462000 6.252000 22.597000 19 " " K B 2 "LYS " " CD " 6 0 2 1 3557 25.44 + 3557 3 -20.899000 5.041000 23.430000 19 " " K B 2 "LYS " " CE " 6 0 2 1 3558 25.44 + 3558 32 -22.322000 4.731000 23.216000 19 " " K B 2 "LYS " " NZ " 7 1 2 1 3559 25.44 + 3559 43 -17.314000 10.073000 21.093000 19 " " K B 2 "LYS " " H " 1 0 2 1 3560 4.45 + 3560 41 -17.136000 8.482000 23.616000 19 " " K B 2 "LYS " " HA " 1 0 2 1 3561 4.45 + 3561 41 -18.834000 7.983000 21.126000 19 " " K B 2 "LYS " " HB3" 1 0 2 1 3562 25.44 + 3562 41 -19.404000 8.727000 22.592000 19 " " K B 2 "LYS " " HB2" 1 0 2 1 3563 25.44 + 3563 41 -18.785000 6.675000 23.895000 19 " " K B 2 "LYS " " HG3" 1 0 2 1 3564 25.44 + 3564 41 -18.339000 5.878000 22.407000 19 " " K B 2 "LYS " " HG2" 1 0 2 1 3565 25.44 + 3565 41 -20.611000 6.036000 21.538000 19 " " K B 2 "LYS " " HD3" 1 0 2 1 3566 25.44 + 3566 41 -21.107000 7.100000 22.830000 19 " " K B 2 "LYS " " HD2" 1 0 2 1 3567 25.44 + 3567 41 -20.739000 5.231000 24.493000 19 " " K B 2 "LYS " " HE3" 1 0 2 1 3568 25.44 + 3568 41 -20.312000 4.164000 23.165000 19 " " K B 2 "LYS " " HE2" 1 0 2 1 3569 25.44 + 3569 44 -22.580000 3.937000 23.784000 19 " " K B 2 "LYS " " HZ1" 1 0 2 1 3570 25.44 + 3570 44 -22.886000 5.528000 23.477000 19 " " K B 2 "LYS " " HZ2" 1 0 2 1 3571 25.44 + 3571 44 -22.477000 4.512000 22.242000 19 " " K B 2 "LYS " " HZ3" 1 0 2 1 3572 25.44 + 3572 25 -15.017000 7.627000 22.611000 20 " " L B 2 "LEU " " N " 7 0 2 1 3573 2.48 + 3573 3 -13.905000 6.737000 22.273000 20 " " L B 2 "LEU " " CA " 6 0 2 1 3574 2.48 + 3574 2 -14.355000 5.273000 22.406000 20 " " L B 2 "LEU " " C " 6 0 2 1 3575 2.48 + 3575 15 -15.188000 4.975000 23.263000 20 " " L B 2 "LEU " " O " 8 0 2 1 3576 2.48 + 3576 3 -12.704000 7.014000 23.211000 20 " " L B 2 "LEU " " CB " 6 0 2 1 3577 2.48 + 3577 3 -12.221000 8.483000 23.268000 20 " " L B 2 "LEU " " CG " 6 0 2 1 3578 2.48 + 3578 3 -11.050000 8.639000 24.260000 20 " " L B 2 "LEU " " CD1" 6 0 2 1 3579 2.48 + 3579 3 -11.887000 9.072000 21.882000 20 " " L B 2 "LEU " " CD2" 6 0 2 1 3580 2.48 + 3580 43 -14.979000 8.044000 23.532000 20 " " L B 2 "LEU " " H " 1 0 2 1 3581 2.48 + 3581 41 -13.618000 6.921000 21.236000 20 " " L B 2 "LEU " " HA " 1 0 2 1 3582 2.48 + 3582 41 -11.868000 6.380000 22.909000 20 " " L B 2 "LEU " " HB3" 1 0 2 1 3583 2.48 + 3583 41 -12.965000 6.698000 24.223000 20 " " L B 2 "LEU " " HB2" 1 0 2 1 3584 2.48 + 3584 41 -13.039000 9.078000 23.677000 20 " " L B 2 "LEU " " HG " 1 0 2 1 3585 2.48 + 3585 41 -11.252000 9.435000 24.977000 20 " " L B 2 "LEU " "HD11" 1 0 2 1 3586 2.48 + 3586 41 -10.877000 7.728000 24.834000 20 " " L B 2 "LEU " "HD12" 1 0 2 1 3587 2.48 + 3587 41 -10.110000 8.882000 23.764000 20 " " L B 2 "LEU " "HD13" 1 0 2 1 3588 2.48 + 3588 41 -10.951000 9.630000 21.873000 20 " " L B 2 "LEU " "HD21" 1 0 2 1 3589 2.48 + 3589 41 -11.816000 8.304000 21.113000 20 " " L B 2 "LEU " "HD22" 1 0 2 1 3590 2.48 + 3590 41 -12.663000 9.767000 21.568000 20 " " L B 2 "LEU " "HD23" 1 0 2 1 3591 2.48 + 3591 25 -13.793000 4.395000 21.563000 21 " " S B 2 "SER " " N " 7 0 2 1 3592 23.35 + 3592 3 -14.107000 2.968000 21.546000 21 " " S B 2 "SER " " CA " 6 0 2 1 3593 23.35 + 3593 2 -12.832000 2.127000 21.688000 21 " " S B 2 "SER " " C " 6 0 2 1 3594 23.35 + 3594 15 -11.723000 2.609000 21.457000 21 " " S B 2 "SER " " O " 8 0 2 1 3595 30.04 + 3595 3 -14.924000 2.636000 20.278000 21 " " S B 2 "SER " " CB " 6 0 2 1 3596 30.04 + 3596 16 -14.143000 2.643000 19.099000 21 " " S B 2 "SER " " OG " 8 0 2 1 3597 30.04 + 3597 43 -13.112000 4.704000 20.884000 21 " " S B 2 "SER " " H " 1 0 2 1 3598 23.35 + 3598 41 -14.735000 2.721000 22.403000 21 " " S B 2 "SER " " HA " 1 0 2 1 3599 23.35 + 3599 41 -15.754000 3.334000 20.162000 21 " " S B 2 "SER " " HB3" 1 0 2 1 3600 30.04 + 3600 41 -15.369000 1.645000 20.377000 21 " " S B 2 "SER " " HB2" 1 0 2 1 3601 30.04 + 3601 42 -13.540000 1.897000 19.120000 21 " " S B 2 "SER " " HG " 1 0 2 1 3602 30.04 + 3602 25 -13.053000 0.871000 22.087000 22 " " C B 2 "CYS " " N " 7 0 2 1 3603 2.48 + 3603 3 -12.036000 -0.111000 22.418000 22 " " C B 2 "CYS " " CA " 6 0 2 1 3604 2.48 + 3604 2 -12.625000 -1.490000 22.116000 22 " " C B 2 "CYS " " C " 6 0 2 1 3605 2.48 + 3605 15 -13.253000 -2.081000 22.995000 22 " " C B 2 "CYS " " O " 8 0 2 1 3606 2.48 + 3606 3 -11.646000 0.068000 23.896000 22 " " C B 2 "CYS " " CB " 6 0 2 1 3607 2.48 + 3607 49 -10.627000 -1.241000 24.616000 22 " " C B 2 "CYS " " SG " 16 0 2 1 3608 2.48 + 3608 43 -14.002000 0.577000 22.275000 22 " " C B 2 "CYS " " H " 1 0 2 1 3609 2.48 + 3609 41 -11.148000 0.039000 21.806000 22 " " C B 2 "CYS " " HA " 1 0 2 1 3610 2.48 + 3610 41 -12.541000 0.130000 24.514000 22 " " C B 2 "CYS " " HB3" 1 0 2 1 3611 2.48 + 3611 41 -11.128000 1.019000 24.022000 22 " " C B 2 "CYS " " HB2" 1 0 2 1 3612 2.48 + 3612 25 -12.456000 -1.960000 20.870000 23 " " K B 2 "LYS " " N " 7 0 2 1 3613 8.22 + 3613 3 -12.942000 -3.272000 20.451000 23 " " K B 2 "LYS " " CA " 6 0 2 1 3614 8.22 + 3614 2 -11.957000 -4.369000 20.874000 23 " " K B 2 "LYS " " C " 6 0 2 1 3615 8.22 + 3615 15 -10.813000 -4.375000 20.421000 23 " " K B 2 "LYS " " O " 8 0 2 1 3616 42.1 + 3616 3 -13.243000 -3.281000 18.939000 23 " " K B 2 "LYS " " CB " 6 0 2 1 3617 42.1 + 3617 3 -13.740000 -4.649000 18.432000 23 " " K B 2 "LYS " " CG " 6 0 2 1 3618 42.1 + 3618 3 -14.141000 -4.640000 16.951000 23 " " K B 2 "LYS " " CD " 6 0 2 1 3619 42.1 + 3619 3 -14.739000 -5.978000 16.487000 23 " " K B 2 "LYS " " CE " 6 0 2 1 3620 42.1 + 3620 32 -13.775000 -7.088000 16.604000 23 " " K B 2 "LYS " " NZ " 7 1 2 1 3621 42.1 + 3621 43 -11.928000 -1.426000 20.192000 23 " " K B 2 "LYS " " H " 1 0 2 1 3622 8.22 + 3622 41 -13.897000 -3.459000 20.945000 23 " " K B 2 "LYS " " HA " 1 0 2 1 3623 8.22 + 3623 41 -12.364000 -2.979000 18.371000 23 " " K B 2 "LYS " " HB3" 1 0 2 1 3624 42.1 + 3624 41 -14.006000 -2.529000 18.733000 23 " " K B 2 "LYS " " HB2" 1 0 2 1 3625 42.1 + 3625 41 -14.593000 -4.964000 19.035000 23 " " K B 2 "LYS " " HG3" 1 0 2 1 3626 42.1 + 3626 41 -12.966000 -5.402000 18.579000 23 " " K B 2 "LYS " " HG2" 1 0 2 1 3627 42.1 + 3627 41 -13.273000 -4.391000 16.338000 23 " " K B 2 "LYS " " HD3" 1 0 2 1 3628 42.1 + 3628 41 -14.869000 -3.847000 16.779000 23 " " K B 2 "LYS " " HD2" 1 0 2 1 3629 42.1 + 3629 41 -15.054000 -5.901000 15.446000 23 " " K B 2 "LYS " " HE3" 1 0 2 1 3630 42.1 + 3630 41 -15.628000 -6.218000 17.072000 23 " " K B 2 "LYS " " HE2" 1 0 2 1 3631 42.1 + 3631 44 -13.504000 -7.198000 17.571000 23 " " K B 2 "LYS " " HZ1" 1 0 2 1 3632 42.1 + 3632 44 -14.203000 -7.944000 16.280000 23 " " K B 2 "LYS " " HZ2" 1 0 2 1 3633 42.1 + 3633 44 -12.957000 -6.891000 16.046000 23 " " K B 2 "LYS " " HZ3" 1 0 2 1 3634 42.1 + 3634 25 -12.450000 -5.297000 21.703000 24 " " A B 2 "ALA " " N " 7 0 2 1 3635 2.48 + 3635 3 -11.733000 -6.488000 22.131000 24 " " A B 2 "ALA " " CA " 6 0 2 1 3636 2.48 + 3636 2 -11.861000 -7.616000 21.098000 24 " " A B 2 "ALA " " C " 6 0 2 1 3637 2.48 + 3637 15 -12.908000 -7.772000 20.467000 24 " " A B 2 "ALA " " O " 8 0 2 1 3638 39.92 + 3638 3 -12.305000 -6.935000 23.475000 24 " " A B 2 "ALA " " CB " 6 0 2 1 3639 39.92 + 3639 43 -13.414000 -5.234000 22.006000 24 " " A B 2 "ALA " " H " 1 0 2 1 3640 2.48 + 3640 41 -10.678000 -6.246000 22.274000 24 " " A B 2 "ALA " " HA " 1 0 2 1 3641 2.48 + 3641 41 -11.928000 -7.913000 23.769000 24 " " A B 2 "ALA " " HB1" 1 0 2 1 3642 39.92 + 3642 41 -12.061000 -6.222000 24.263000 24 " " A B 2 "ALA " " HB2" 1 0 2 1 3643 39.92 + 3643 41 -13.386000 -7.018000 23.425000 24 " " A B 2 "ALA " " HB3" 1 0 2 1 3644 39.92 + 3644 25 -10.781000 -8.394000 20.979000 25 " " S B 2 "SER " " N " 7 0 2 1 3645 2.48 + 3645 3 -10.654000 -9.556000 20.105000 25 " " S B 2 "SER " " CA " 6 0 2 1 3646 2.48 + 3646 2 -9.835000 -10.614000 20.853000 25 " " S B 2 "SER " " C " 6 0 2 1 3647 2.48 + 3647 15 -8.931000 -10.239000 21.596000 25 " " S B 2 "SER " " O " 8 0 2 1 3648 46.41 + 3648 3 -9.932000 -9.131000 18.811000 25 " " S B 2 "SER " " CB " 6 0 2 1 3649 46.41 + 3649 16 -10.753000 -8.284000 18.031000 25 " " S B 2 "SER " " OG " 8 0 2 1 3650 46.41 + 3650 43 -9.959000 -8.184000 21.531000 25 " " S B 2 "SER " " H " 1 0 2 1 3651 2.48 + 3651 41 -11.635000 -9.975000 19.872000 25 " " S B 2 "SER " " HA " 1 0 2 1 3652 2.48 + 3652 41 -9.681000 -10.004000 18.207000 25 " " S B 2 "SER " " HB3" 1 0 2 1 3653 46.41 + 3653 41 -8.998000 -8.622000 19.038000 25 " " S B 2 "SER " " HB2" 1 0 2 1 3654 46.41 + 3654 42 -10.928000 -7.491000 18.543000 25 " " S B 2 "SER " " HG " 1 0 2 1 3655 46.41 + 3655 25 -10.152000 -11.903000 20.639000 26 " " G B 2 "GLY " " N " 7 0 0 1 3656 2.48 + 3656 3 -9.432000 -13.045000 21.221000 26 " " G B 2 "GLY " " CA " 6 0 0 1 3657 2.48 + 3657 2 -9.793000 -13.335000 22.689000 26 " " G B 2 "GLY " " C " 6 0 0 1 3658 2.48 + 3658 15 -9.184000 -14.212000 23.296000 26 " " G B 2 "GLY " " O " 8 0 0 1 3659 48.18 + 3659 43 -10.914000 -12.125000 20.015000 26 " " G B 2 "GLY " " H " 1 0 0 1 3660 2.48 + 3660 41 -8.357000 -12.896000 21.151000 26 " " G B 2 "GLY " " HA3" 1 0 0 1 3661 2.48 + 3661 41 -9.657000 -13.933000 20.630000 26 " " G B 2 "GLY " " HA2" 1 0 0 1 3662 2.48 + 3662 25 -10.773000 -12.623000 23.262000 27 " " F B 2 "PHE " " N " 7 0 0 1 3663 12.32 + 3663 3 -11.310000 -12.837000 24.606000 27 " " F B 2 "PHE " " CA " 6 0 0 1 3664 12.32 + 3664 2 -12.690000 -12.175000 24.666000 27 " " F B 2 "PHE " " C " 6 0 0 1 3665 12.32 + 3665 15 -12.972000 -11.284000 23.866000 27 " " F B 2 "PHE " " O " 8 0 0 1 3666 14.7 + 3666 3 -10.350000 -12.268000 25.681000 27 " " F B 2 "PHE " " CB " 6 0 0 1 3667 14.7 + 3667 2 -10.308000 -10.754000 25.832000 27 " " F B 2 "PHE " " CG " 6 0 0 1 3668 14.7 + 3668 2 -11.107000 -10.105000 26.796000 27 " " F B 2 "PHE " " CD1" 6 0 0 1 3669 14.7 + 3669 2 -9.585000 -9.971000 24.913000 27 " " F B 2 "PHE " " CD2" 6 0 0 1 3670 14.7 + 3670 2 -11.099000 -8.721000 26.891000 27 " " F B 2 "PHE " " CE1" 6 0 0 1 3671 14.7 + 3671 2 -9.595000 -8.588000 25.016000 27 " " F B 2 "PHE " " CE2" 6 0 0 1 3672 14.7 + 3672 2 -10.331000 -7.965000 26.015000 27 " " F B 2 "PHE " " CZ " 6 0 0 1 3673 14.7 + 3673 43 -11.238000 -11.903000 22.727000 27 " " F B 2 "PHE " " H " 1 0 0 1 3674 12.32 + 3674 41 -11.434000 -13.911000 24.761000 27 " " F B 2 "PHE " " HA " 1 0 0 1 3675 12.32 + 3675 41 -9.339000 -12.627000 25.500000 27 " " F B 2 "PHE " " HB3" 1 0 0 1 3676 14.7 + 3676 41 -10.623000 -12.690000 26.649000 27 " " F B 2 "PHE " " HB2" 1 0 0 1 3677 14.7 + 3677 41 -11.713000 -10.685000 27.471000 27 " " F B 2 "PHE " " HD1" 1 0 0 1 3678 14.7 + 3678 41 -9.028000 -10.451000 24.125000 27 " " F B 2 "PHE " " HD2" 1 0 0 1 3679 14.7 + 3679 41 -11.685000 -8.233000 27.656000 27 " " F B 2 "PHE " " HE1" 1 0 0 1 3680 14.7 + 3680 41 -9.046000 -8.000000 24.298000 27 " " F B 2 "PHE " " HE2" 1 0 0 1 3681 14.7 + 3681 41 -10.329000 -6.888000 26.093000 27 " " F B 2 "PHE " " HZ " 1 0 0 1 3682 14.7 + 3682 25 -13.504000 -12.595000 25.642000 28 " " N B 2 "ASN " " N " 7 0 0 1 3683 31.35 + 3683 3 -14.817000 -12.018000 25.910000 28 " " N B 2 "ASN " " CA " 6 0 0 1 3684 31.35 + 3684 2 -14.684000 -10.998000 27.052000 28 " " N B 2 "ASN " " C " 6 0 0 1 3685 31.35 + 3685 15 -14.166000 -11.356000 28.111000 28 " " N B 2 "ASN " " O " 8 0 0 1 3686 59.16 + 3686 3 -15.777000 -13.166000 26.292000 28 " " N B 2 "ASN " " CB " 6 0 0 1 3687 59.16 + 3687 2 -17.266000 -12.837000 26.171000 28 " " N B 2 "ASN " " CG " 6 0 0 1 3688 59.16 + 3688 15 -17.658000 -11.723000 25.830000 28 " " N B 2 "ASN " " OD1" 8 0 0 1 3689 59.16 + 3689 25 -18.111000 -13.825000 26.470000 28 " " N B 2 "ASN " " ND2" 7 0 0 1 3690 59.16 + 3690 43 -13.202000 -13.319000 26.279000 28 " " N B 2 "ASN " " H " 1 0 0 1 3691 31.35 + 3691 41 -15.213000 -11.486000 25.043000 28 " " N B 2 "ASN " " HA " 1 0 0 1 3692 31.35 + 3692 41 -15.563000 -13.539000 27.292000 28 " " N B 2 "ASN " " HB3" 1 0 0 1 3693 59.16 + 3693 41 -15.608000 -14.003000 25.613000 28 " " N B 2 "ASN " " HB2" 1 0 0 1 3694 59.16 + 3694 43 -19.107000 -13.675000 26.411000 28 " " N B 2 "ASN " "HD22" 1 0 0 1 3695 59.16 + 3695 43 -17.759000 -14.722000 26.773000 28 " " N B 2 "ASN " "HD21" 1 0 0 1 3696 59.16 + 3696 25 -15.153000 -9.756000 26.832000 29 " " I B 2 "ILE " " N " 7 0 0 1 3697 8.19 + 3697 3 -15.034000 -8.670000 27.812000 29 " " I B 2 "ILE " " CA " 6 0 0 1 3698 8.19 + 3698 2 -15.885000 -8.861000 29.082000 29 " " I B 2 "ILE " " C " 6 0 0 1 3699 8.19 + 3699 15 -15.525000 -8.276000 30.099000 29 " " I B 2 "ILE " " O " 8 0 0 1 3700 2.87 + 3700 3 -15.317000 -7.257000 27.222000 29 " " I B 2 "ILE " " CB " 6 0 0 1 3701 2.87 + 3701 3 -16.776000 -6.999000 26.770000 29 " " I B 2 "ILE " " CG1" 6 0 0 1 3702 2.87 + 3702 3 -14.316000 -6.928000 26.107000 29 " " I B 2 "ILE " " CG2" 6 0 0 1 3703 2.87 + 3703 3 -17.068000 -5.528000 26.434000 29 " " I B 2 "ILE " " CD1" 6 0 0 1 3704 2.87 + 3704 43 -15.589000 -9.527000 25.947000 29 " " I B 2 "ILE " " H " 1 0 0 1 3705 8.19 + 3705 41 -13.996000 -8.670000 28.151000 29 " " I B 2 "ILE " " HA " 1 0 0 1 3706 8.19 + 3706 41 -15.106000 -6.542000 28.016000 29 " " I B 2 "ILE " " HB " 1 0 0 1 3707 2.87 + 3707 41 -17.485000 -7.308000 27.537000 29 " " I B 2 "ILE " "HG13" 1 0 0 1 3708 2.87 + 3708 41 -17.009000 -7.610000 25.901000 29 " " I B 2 "ILE " "HG12" 1 0 0 1 3709 2.87 + 3709 41 -14.404000 -5.898000 25.764000 29 " " I B 2 "ILE " "HG21" 1 0 0 1 3710 2.87 + 3710 41 -13.290000 -7.062000 26.442000 29 " " I B 2 "ILE " "HG22" 1 0 0 1 3711 2.87 + 3711 41 -14.474000 -7.582000 25.253000 29 " " I B 2 "ILE " "HG23" 1 0 0 1 3712 2.87 + 3712 41 -18.139000 -5.374000 26.296000 29 " " I B 2 "ILE " "HD11" 1 0 0 1 3713 2.87 + 3713 41 -16.735000 -4.861000 27.229000 29 " " I B 2 "ILE " "HD12" 1 0 0 1 3714 2.87 + 3714 41 -16.578000 -5.223000 25.512000 29 " " I B 2 "ILE " "HD13" 1 0 0 1 3715 2.87 + 3715 25 -16.937000 -9.703000 29.041000 30 " " K B 2 "LYS " " N " 7 0 0 1 3716 24.12 + 3716 3 -17.726000 -10.059000 30.228000 30 " " K B 2 "LYS " " CA " 6 0 0 1 3717 24.12 + 3717 2 -17.043000 -11.084000 31.165000 30 " " K B 2 "LYS " " C " 6 0 0 1 3718 24.12 + 3718 15 -17.634000 -11.417000 32.188000 30 " " K B 2 "LYS " " O " 8 0 0 1 3719 62.4 + 3719 3 -19.164000 -10.461000 29.833000 30 " " K B 2 "LYS " " CB " 6 0 0 1 3720 62.4 + 3720 3 -19.329000 -11.834000 29.156000 30 " " K B 2 "LYS " " CG " 6 0 0 1 3721 62.4 + 3721 3 -20.786000 -12.312000 29.002000 30 " " K B 2 "LYS " " CD " 6 0 0 1 3722 62.4 + 3722 3 -21.539000 -12.504000 30.333000 30 " " K B 2 "LYS " " CE " 6 0 0 1 3723 62.4 + 3723 32 -22.226000 -11.275000 30.767000 30 " " K B 2 "LYS " " NZ " 7 1 0 1 3724 62.4 + 3724 43 -17.179000 -10.167000 28.177000 30 " " K B 2 "LYS " " H " 1 0 0 1 3725 24.12 + 3725 41 -17.827000 -9.159000 30.836000 30 " " K B 2 "LYS " " HA " 1 0 0 1 3726 24.12 + 3726 41 -19.618000 -9.680000 29.222000 30 " " K B 2 "LYS " " HB3" 1 0 0 1 3727 62.4 + 3727 41 -19.732000 -10.474000 30.759000 30 " " K B 2 "LYS " " HB2" 1 0 0 1 3728 62.4 + 3728 41 -18.766000 -12.602000 29.686000 30 " " K B 2 "LYS " " HG3" 1 0 0 1 3729 62.4 + 3729 41 -18.884000 -11.765000 28.168000 30 " " K B 2 "LYS " " HG2" 1 0 0 1 3730 62.4 + 3730 41 -20.775000 -13.263000 28.468000 30 " " K B 2 "LYS " " HD3" 1 0 0 1 3731 62.4 + 3731 41 -21.329000 -11.622000 28.354000 30 " " K B 2 "LYS " " HD2" 1 0 0 1 3732 62.4 + 3732 41 -20.858000 -12.843000 31.115000 30 " " K B 2 "LYS " " HE3" 1 0 0 1 3733 62.4 + 3733 41 -22.300000 -13.277000 30.222000 30 " " K B 2 "LYS " " HE2" 1 0 0 1 3734 62.4 + 3734 44 -22.598000 -11.422000 31.701000 30 " " K B 2 "LYS " " HZ1" 1 0 0 1 3735 62.4 + 3735 44 -21.564000 -10.514000 30.805000 30 " " K B 2 "LYS " " HZ2" 1 0 0 1 3736 62.4 + 3736 44 -22.972000 -11.042000 30.129000 30 " " K B 2 "LYS " " HZ3" 1 0 0 1 3737 62.4 + 3737 25 -15.826000 -11.547000 30.831000 31 " " D B 2 "ASP " " N " 7 0 0 1 3738 2.48 + 3738 3 -14.964000 -12.362000 31.700000 31 " " D B 2 "ASP " " CA " 6 0 0 1 3739 2.48 + 3739 2 -13.862000 -11.536000 32.397000 31 " " D B 2 "ASP " " C " 6 0 0 1 3740 2.48 + 3740 15 -13.127000 -12.106000 33.203000 31 " " D B 2 "ASP " " O " 8 0 0 1 3741 34.27 + 3741 3 -14.335000 -13.563000 30.950000 31 " " D B 2 "ASP " " CB " 6 0 0 1 3742 34.27 + 3742 2 -15.354000 -14.529000 30.338000 31 " " D B 2 "ASP " " CG " 6 0 0 1 3743 34.27 + 3743 15 -16.376000 -14.794000 31.008000 31 " " D B 2 "ASP " " OD1" 8 0 0 1 3744 34.27 + 3744 18 -15.045000 -15.069000 29.254000 31 " " D B 2 "ASP " " OD2" 8 -1 0 1 3745 34.27 + 3745 43 -15.414000 -11.261000 29.953000 31 " " D B 2 "ASP " " H " 1 0 0 1 3746 2.48 + 3746 41 -15.563000 -12.773000 32.514000 31 " " D B 2 "ASP " " HA " 1 0 0 1 3747 2.48 + 3747 41 -13.681000 -14.140000 31.605000 31 " " D B 2 "ASP " " HB3" 1 0 0 1 3748 34.27 + 3748 41 -13.710000 -13.175000 30.144000 31 " " D B 2 "ASP " " HB2" 1 0 0 1 3749 34.27 + 3749 25 -13.749000 -10.234000 32.084000 32 " " Y B 2 "TYR " " N " 7 0 0 1 3750 2.48 + 3750 3 -12.709000 -9.338000 32.598000 32 " " Y B 2 "TYR " " CA " 6 0 0 1 3751 2.48 + 3751 2 -13.313000 -7.999000 33.031000 32 " " Y B 2 "TYR " " C " 6 0 0 1 3752 2.48 + 3752 15 -14.468000 -7.711000 32.726000 32 " " Y B 2 "TYR " " O " 8 0 0 1 3753 2.48 + 3753 3 -11.643000 -9.116000 31.503000 32 " " Y B 2 "TYR " " CB " 6 0 0 1 3754 2.48 + 3754 2 -10.809000 -10.342000 31.188000 32 " " Y B 2 "TYR " " CG " 6 0 0 1 3755 2.48 + 3755 2 -11.223000 -11.244000 30.189000 32 " " Y B 2 "TYR " " CD1" 6 0 0 1 3756 2.48 + 3756 2 -9.623000 -10.594000 31.905000 32 " " Y B 2 "TYR " " CD2" 6 0 0 1 3757 2.48 + 3757 2 -10.458000 -12.391000 29.907000 32 " " Y B 2 "TYR " " CE1" 6 0 0 1 3758 2.48 + 3758 2 -8.856000 -11.741000 31.629000 32 " " Y B 2 "TYR " " CE2" 6 0 0 1 3759 2.48 + 3759 2 -9.274000 -12.640000 30.629000 32 " " Y B 2 "TYR " " CZ " 6 0 0 1 3760 2.48 + 3760 16 -8.530000 -13.750000 30.355000 32 " " Y B 2 "TYR " " OH " 8 0 0 1 3761 2.48 + 3761 43 -14.416000 -9.813000 31.452000 32 " " Y B 2 "TYR " " H " 1 0 0 1 3762 2.48 + 3762 41 -12.232000 -9.771000 33.480000 32 " " Y B 2 "TYR " " HA " 1 0 0 1 3763 2.48 + 3763 41 -10.947000 -8.332000 31.808000 32 " " Y B 2 "TYR " " HB3" 1 0 0 1 3764 2.48 + 3764 41 -12.111000 -8.752000 30.586000 32 " " Y B 2 "TYR " " HB2" 1 0 0 1 3765 2.48 + 3765 41 -12.140000 -11.064000 29.650000 32 " " Y B 2 "TYR " " HD1" 1 0 0 1 3766 2.48 + 3766 41 -9.297000 -9.906000 32.667000 32 " " Y B 2 "TYR " " HD2" 1 0 0 1 3767 2.48 + 3767 41 -10.786000 -13.081000 29.145000 32 " " Y B 2 "TYR " " HE1" 1 0 0 1 3768 2.48 + 3768 41 -7.946000 -11.923000 32.181000 32 " " Y B 2 "TYR " " HE2" 1 0 0 1 3769 2.48 + 3769 42 -7.777000 -13.849000 30.942000 32 " " Y B 2 "TYR " " HH " 1 0 0 1 3770 2.48 + 3770 25 -12.490000 -7.186000 33.708000 33 " " Y B 2 "TYR " " N " 7 0 2 1 3771 2.48 + 3771 3 -12.795000 -5.784000 33.974000 33 " " Y B 2 "TYR " " CA " 6 0 2 1 3772 2.48 + 3772 2 -12.023000 -4.954000 32.945000 33 " " Y B 2 "TYR " " C " 6 0 2 1 3773 2.48 + 3773 15 -10.797000 -5.050000 32.895000 33 " " Y B 2 "TYR " " O " 8 0 2 1 3774 13.67 + 3774 3 -12.393000 -5.404000 35.412000 33 " " Y B 2 "TYR " " CB " 6 0 2 1 3775 13.67 + 3775 2 -12.898000 -6.357000 36.478000 33 " " Y B 2 "TYR " " CG " 6 0 2 1 3776 13.67 + 3776 2 -14.260000 -6.359000 36.836000 33 " " Y B 2 "TYR " " CD1" 6 0 2 1 3777 13.67 + 3777 2 -12.008000 -7.259000 37.098000 33 " " Y B 2 "TYR " " CD2" 6 0 2 1 3778 13.67 + 3778 2 -14.732000 -7.260000 37.810000 33 " " Y B 2 "TYR " " CE1" 6 0 2 1 3779 13.67 + 3779 2 -12.483000 -8.161000 38.069000 33 " " Y B 2 "TYR " " CE2" 6 0 2 1 3780 13.67 + 3780 2 -13.846000 -8.165000 38.423000 33 " " Y B 2 "TYR " " CZ " 6 0 2 1 3781 13.67 + 3781 16 -14.305000 -9.044000 39.360000 33 " " Y B 2 "TYR " " OH " 8 0 2 1 3782 13.67 + 3782 43 -11.556000 -7.491000 33.945000 33 " " Y B 2 "TYR " " H " 1 0 2 1 3783 2.48 + 3783 41 -13.864000 -5.599000 33.867000 33 " " Y B 2 "TYR " " HA " 1 0 2 1 3784 2.48 + 3784 41 -12.748000 -4.398000 35.640000 33 " " Y B 2 "TYR " " HB3" 1 0 2 1 3785 13.67 + 3785 41 -11.311000 -5.357000 35.505000 33 " " Y B 2 "TYR " " HB2" 1 0 2 1 3786 13.67 + 3786 41 -14.939000 -5.671000 36.357000 33 " " Y B 2 "TYR " " HD1" 1 0 2 1 3787 13.67 + 3787 41 -10.962000 -7.269000 36.829000 33 " " Y B 2 "TYR " " HD2" 1 0 2 1 3788 13.67 + 3788 41 -15.775000 -7.256000 38.087000 33 " " Y B 2 "TYR " " HE1" 1 0 2 1 3789 13.67 + 3789 41 -11.801000 -8.851000 38.541000 33 " " Y B 2 "TYR " " HE2" 1 0 2 1 3790 13.67 + 3790 42 -15.253000 -8.981000 39.496000 33 " " Y B 2 "TYR " " HH " 1 0 2 1 3791 13.67 + 3791 25 -12.748000 -4.168000 32.138000 34 " " M B 2 "MET " " N " 7 0 2 1 3792 2.48 + 3792 3 -12.157000 -3.240000 31.177000 34 " " M B 2 "MET " " CA " 6 0 2 1 3793 2.48 + 3793 2 -11.926000 -1.898000 31.878000 34 " " M B 2 "MET " " C " 6 0 2 1 3794 2.48 + 3794 15 -12.824000 -1.415000 32.564000 34 " " M B 2 "MET " " O " 8 0 2 1 3795 13.87 + 3795 3 -13.069000 -3.088000 29.944000 34 " " M B 2 "MET " " CB " 6 0 2 1 3796 13.87 + 3796 3 -13.379000 -4.414000 29.228000 34 " " M B 2 "MET " " CG " 6 0 2 1 3797 13.87 + 3797 49 -11.954000 -5.228000 28.455000 34 " " M B 2 "MET " " SD " 16 0 2 1 3798 13.87 + 3798 3 -11.784000 -4.194000 26.976000 34 " " M B 2 "MET " " CE " 6 0 2 1 3799 13.87 + 3799 43 -13.750000 -4.117000 32.257000 34 " " M B 2 "MET " " H " 1 0 2 1 3800 2.48 + 3800 41 -11.201000 -3.636000 30.839000 34 " " M B 2 "MET " " HA " 1 0 2 1 3801 2.48 + 3801 41 -12.606000 -2.399000 29.236000 34 " " M B 2 "MET " " HB3" 1 0 2 1 3802 13.87 + 3802 41 -14.009000 -2.622000 30.228000 34 " " M B 2 "MET " " HB2" 1 0 2 1 3803 13.87 + 3803 41 -14.133000 -4.247000 28.459000 34 " " M B 2 "MET " " HG3" 1 0 2 1 3804 13.87 + 3804 41 -13.830000 -5.122000 29.923000 34 " " M B 2 "MET " " HG2" 1 0 2 1 3805 13.87 + 3805 41 -11.061000 -4.639000 26.294000 34 " " M B 2 "MET " " HE1" 1 0 2 1 3806 13.87 + 3806 41 -12.735000 -4.114000 26.450000 34 " " M B 2 "MET " " HE2" 1 0 2 1 3807 13.87 + 3807 41 -11.446000 -3.193000 27.241000 34 " " M B 2 "MET " " HE3" 1 0 2 1 3808 13.87 + 3808 25 -10.726000 -1.335000 31.704000 35 " " H B 2 "HIS " " N " 7 0 2 1 3809 2.48 + 3809 3 -10.308000 -0.075000 32.317000 35 " " H B 2 "HIS " " CA " 6 0 2 1 3810 2.48 + 3810 2 -10.106000 1.000000 31.255000 35 " " H B 2 "HIS " " C " 6 0 2 1 3811 2.48 + 3811 15 -10.017000 0.690000 30.068000 35 " " H B 2 "HIS " " O " 8 0 2 1 3812 9.62 + 3812 3 -9.012000 -0.306000 33.112000 35 " " H B 2 "HIS " " CB " 6 0 2 1 3813 9.62 + 3813 2 -9.238000 -1.084000 34.375000 35 " " H B 2 "HIS " " CG " 6 0 2 1 3814 9.62 + 3814 25 -9.343000 -0.471000 35.623000 35 " " H B 2 "HIS " " ND1" 7 0 2 1 3815 9.62 + 3815 2 -9.391000 -2.442000 34.531000 35 " " H B 2 "HIS " " CD2" 6 0 2 1 3816 9.62 + 3816 2 -9.537000 -1.468000 36.472000 35 " " H B 2 "HIS " " CE1" 6 0 2 1 3817 9.62 + 3817 25 -9.587000 -2.658000 35.883000 35 " " H B 2 "HIS " " NE2" 7 0 2 1 3818 9.62 + 3818 43 -10.046000 -1.788000 31.106000 35 " " H B 2 "HIS " " H " 1 0 2 1 3819 2.48 + 3819 41 -11.065000 0.300000 33.005000 35 " " H B 2 "HIS " " HA " 1 0 2 1 3820 2.48 + 3820 41 -8.543000 0.641000 33.387000 35 " " H B 2 "HIS " " HB3" 1 0 2 1 3821 9.62 + 3821 41 -8.285000 -0.842000 32.505000 35 " " H B 2 "HIS " " HB2" 1 0 2 1 3822 9.62 + 3822 41 -9.364000 -3.241000 33.808000 35 " " H B 2 "HIS " " HD2" 1 0 2 1 3823 9.62 + 3823 41 -9.641000 -1.324000 37.533000 35 " " H B 2 "HIS " " HE1" 1 0 2 1 3824 9.62 + 3824 43 -9.684000 -3.552000 36.349000 35 " " H B 2 "HIS " " HE2" 1 0 2 1 3825 9.62 + 3825 25 -10.021000 2.247000 31.734000 36 " " W B 2 "TRP " " N " 7 0 2 1 3826 2.48 + 3826 3 -9.656000 3.419000 30.957000 36 " " W B 2 "TRP " " CA " 6 0 2 1 3827 2.48 + 3827 2 -8.645000 4.238000 31.758000 36 " " W B 2 "TRP " " C " 6 0 2 1 3828 2.48 + 3828 15 -8.847000 4.472000 32.950000 36 " " W B 2 "TRP " " O " 8 0 2 1 3829 2.48 + 3829 3 -10.907000 4.220000 30.563000 36 " " W B 2 "TRP " " CB " 6 0 2 1 3830 2.48 + 3830 2 -11.685000 3.594000 29.447000 36 " " W B 2 "TRP " " CG " 6 0 2 1 3831 2.48 + 3831 2 -12.682000 2.689000 29.579000 36 " " W B 2 "TRP " " CD1" 6 0 2 1 3832 2.48 + 3832 2 -11.461000 3.736000 28.012000 36 " " W B 2 "TRP " " CD2" 6 0 2 1 3833 2.48 + 3833 25 -13.114000 2.293000 28.330000 36 " " W B 2 "TRP " " NE1" 7 0 2 1 3834 2.48 + 3834 2 -12.405000 2.915000 27.323000 36 " " W B 2 "TRP " " CE2" 6 0 2 1 3835 2.48 + 3835 2 -10.567000 4.494000 27.217000 36 " " W B 2 "TRP " " CE3" 6 0 2 1 3836 2.48 + 3836 2 -12.482000 2.875000 25.920000 36 " " W B 2 "TRP " " CZ2" 6 0 2 1 3837 2.48 + 3837 2 -10.632000 4.459000 25.810000 36 " " W B 2 "TRP " " CZ3" 6 0 2 1 3838 2.48 + 3838 2 -11.592000 3.658000 25.161000 36 " " W B 2 "TRP " " CH2" 6 0 2 1 3839 2.48 + 3839 43 -10.141000 2.405000 32.726000 36 " " W B 2 "TRP " " H " 1 0 2 1 3840 2.48 + 3840 41 -9.156000 3.107000 30.040000 36 " " W B 2 "TRP " " HA " 1 0 2 1 3841 2.48 + 3841 41 -10.617000 5.215000 30.223000 36 " " W B 2 "TRP " " HB3" 1 0 2 1 3842 2.48 + 3842 41 -11.560000 4.373000 31.424000 36 " " W B 2 "TRP " " HB2" 1 0 2 1 3843 2.48 + 3843 41 -13.064000 2.333000 30.525000 36 " " W B 2 "TRP " " HD1" 1 0 2 1 3844 2.48 + 3844 43 -13.876000 1.643000 28.200000 36 " " W B 2 "TRP " " HE1" 1 0 2 1 3845 2.48 + 3845 41 -9.832000 5.122000 27.699000 36 " " W B 2 "TRP " " HE3" 1 0 2 1 3846 2.48 + 3846 41 -13.219000 2.258000 25.430000 36 " " W B 2 "TRP " " HZ2" 1 0 2 1 3847 2.48 + 3847 41 -9.946000 5.055000 25.225000 36 " " W B 2 "TRP " " HZ3" 1 0 2 1 3848 2.48 + 3848 41 -11.642000 3.642000 24.082000 36 " " W B 2 "TRP " " HH2" 1 0 2 1 3849 2.48 + 3849 25 -7.561000 4.623000 31.073000 37 " " V B 2 "VAL " " N " 7 0 2 1 3850 2.48 + 3850 3 -6.422000 5.332000 31.634000 37 " " V B 2 "VAL " " CA " 6 0 2 1 3851 2.48 + 3851 2 -6.069000 6.482000 30.675000 37 " " V B 2 "VAL " " C " 6 0 2 1 3852 2.48 + 3852 15 -5.741000 6.236000 29.517000 37 " " V B 2 "VAL " " O " 8 0 2 1 3853 9.17 + 3853 3 -5.184000 4.395000 31.794000 37 " " V B 2 "VAL " " CB " 6 0 2 1 3854 9.17 + 3854 3 -3.924000 5.112000 32.321000 37 " " V B 2 "VAL " " CG1" 6 0 2 1 3855 9.17 + 3855 3 -5.487000 3.182000 32.695000 37 " " V B 2 "VAL " " CG2" 6 0 2 1 3856 9.17 + 3856 43 -7.479000 4.376000 30.094000 37 " " V B 2 "VAL " " H " 1 0 2 1 3857 2.48 + 3857 41 -6.684000 5.744000 32.609000 37 " " V B 2 "VAL " " HA " 1 0 2 1 3858 2.48 + 3858 41 -4.930000 3.993000 30.812000 37 " " V B 2 "VAL " " HB " 1 0 2 1 3859 9.17 + 3859 41 -3.097000 4.413000 32.448000 37 " " V B 2 "VAL " "HG11" 1 0 2 1 3860 9.17 + 3860 41 -3.577000 5.885000 31.637000 37 " " V B 2 "VAL " "HG12" 1 0 2 1 3861 9.17 + 3861 41 -4.107000 5.580000 33.288000 37 " " V B 2 "VAL " "HG13" 1 0 2 1 3862 9.17 + 3862 41 -4.604000 2.557000 32.828000 37 " " V B 2 "VAL " "HG21" 1 0 2 1 3863 9.17 + 3863 41 -5.820000 3.501000 33.684000 37 " " V B 2 "VAL " "HG22" 1 0 2 1 3864 9.17 + 3864 41 -6.263000 2.545000 32.271000 37 " " V B 2 "VAL " "HG23" 1 0 2 1 3865 9.17 + 3865 25 -6.140000 7.715000 31.189000 38 " " K B 2 "LYS " " N " 7 0 2 1 3866 2.48 + 3866 3 -5.715000 8.949000 30.532000 38 " " K B 2 "LYS " " CA " 6 0 2 1 3867 2.48 + 3867 2 -4.217000 9.203000 30.763000 38 " " K B 2 "LYS " " C " 6 0 2 1 3868 2.48 + 3868 15 -3.640000 8.674000 31.712000 38 " " K B 2 "LYS " " O " 8 0 2 1 3869 6.96 + 3869 3 -6.600000 10.083000 31.094000 38 " " K B 2 "LYS " " CB " 6 0 2 1 3870 6.96 + 3870 3 -6.223000 11.528000 30.720000 38 " " K B 2 "LYS " " CG " 6 0 2 1 3871 6.96 + 3871 3 -7.249000 12.545000 31.233000 38 " " K B 2 "LYS " " CD " 6 0 2 1 3872 6.96 + 3872 3 -6.866000 13.990000 30.892000 38 " " K B 2 "LYS " " CE " 6 0 2 1 3873 6.96 + 3873 32 -7.940000 14.925000 31.262000 38 " " K B 2 "LYS " " NZ " 7 1 2 1 3874 6.96 + 3874 43 -6.380000 7.812000 32.168000 38 " " K B 2 "LYS " " H " 1 0 2 1 3875 2.48 + 3875 41 -5.896000 8.868000 29.459000 38 " " K B 2 "LYS " " HA " 1 0 2 1 3876 2.48 + 3876 41 -6.612000 10.017000 32.182000 38 " " K B 2 "LYS " " HB3" 1 0 2 1 3877 6.96 + 3877 41 -7.616000 9.894000 30.756000 38 " " K B 2 "LYS " " HB2" 1 0 2 1 3878 6.96 + 3878 41 -6.146000 11.605000 29.637000 38 " " K B 2 "LYS " " HG3" 1 0 2 1 3879 6.96 + 3879 41 -5.249000 11.789000 31.134000 38 " " K B 2 "LYS " " HG2" 1 0 2 1 3880 6.96 + 3880 41 -7.342000 12.442000 32.315000 38 " " K B 2 "LYS " " HD3" 1 0 2 1 3881 6.96 + 3881 41 -8.230000 12.311000 30.818000 38 " " K B 2 "LYS " " HD2" 1 0 2 1 3882 6.96 + 3882 41 -6.690000 14.094000 29.822000 38 " " K B 2 "LYS " " HE3" 1 0 2 1 3883 6.96 + 3883 41 -5.949000 14.272000 31.408000 38 " " K B 2 "LYS " " HE2" 1 0 2 1 3884 6.96 + 3884 44 -7.687000 15.865000 30.987000 38 " " K B 2 "LYS " " HZ1" 1 0 2 1 3885 6.96 + 3885 44 -8.794000 14.666000 30.786000 38 " " K B 2 "LYS " " HZ2" 1 0 2 1 3886 6.96 + 3886 44 -8.092000 14.892000 32.261000 38 " " K B 2 "LYS " " HZ3" 1 0 2 1 3887 6.96 + 3887 25 -3.631000 10.049000 29.906000 39 " " Q B 2 "GLN " " N " 7 0 2 1 3888 18.77 + 3888 3 -2.286000 10.582000 30.062000 39 " " Q B 2 "GLN " " CA " 6 0 2 1 3889 18.77 + 3889 2 -2.174000 11.889000 29.270000 39 " " Q B 2 "GLN " " C " 6 0 2 1 3890 18.77 + 3890 15 -2.146000 11.836000 28.040000 39 " " Q B 2 "GLN " " O " 8 0 2 1 3891 10.51 + 3891 3 -1.247000 9.536000 29.605000 39 " " Q B 2 "GLN " " CB " 6 0 2 1 3892 10.51 + 3892 3 0.203000 10.045000 29.702000 39 " " Q B 2 "GLN " " CG " 6 0 2 1 3893 10.51 + 3893 2 1.232000 8.975000 29.355000 39 " " Q B 2 "GLN " " CD " 6 0 2 1 3894 10.51 + 3894 15 0.982000 8.101000 28.526000 39 " " Q B 2 "GLN " " OE1" 8 0 2 1 3895 10.51 + 3895 25 2.406000 9.056000 29.980000 39 " " Q B 2 "GLN " " NE2" 7 0 2 1 3896 10.51 + 3896 43 -4.156000 10.405000 29.120000 39 " " Q B 2 "GLN " " H " 1 0 2 1 3897 18.77 + 3897 41 -2.116000 10.805000 31.118000 39 " " Q B 2 "GLN " " HA " 1 0 2 1 3898 18.77 + 3898 41 -1.463000 9.232000 28.579000 39 " " Q B 2 "GLN " " HB3" 1 0 2 1 3899 10.51 + 3899 41 -1.350000 8.639000 30.215000 39 " " Q B 2 "GLN " " HB2" 1 0 2 1 3900 10.51 + 3900 41 0.386000 10.397000 30.717000 39 " " Q B 2 "GLN " " HG3" 1 0 2 1 3901 10.51 + 3901 41 0.375000 10.891000 29.037000 39 " " Q B 2 "GLN " " HG2" 1 0 2 1 3902 10.51 + 3902 43 3.121000 8.362000 29.809000 39 " " Q B 2 "GLN " "HE22" 1 0 2 1 3903 10.51 + 3903 43 2.581000 9.805000 30.636000 39 " " Q B 2 "GLN " "HE21" 1 0 2 1 3904 10.51 + 3904 25 -2.068000 13.029000 29.976000 40 " " R B 2 "ARG " " N " 7 0 0 1 3905 17.91 + 3905 3 -1.710000 14.316000 29.365000 40 " " R B 2 "ARG " " CA " 6 0 0 1 3906 17.91 + 3906 2 -0.199000 14.371000 29.035000 40 " " R B 2 "ARG " " C " 6 0 0 1 3907 17.91 + 3907 15 0.569000 13.720000 29.741000 40 " " R B 2 "ARG " " O " 8 0 0 1 3908 64.69 + 3908 3 -2.097000 15.482000 30.305000 40 " " R B 2 "ARG " " CB " 6 0 0 1 3909 64.69 + 3909 3 -3.460000 16.114000 29.968000 40 " " R B 2 "ARG " " CG " 6 0 0 1 3910 64.69 + 3910 3 -3.557000 17.597000 30.354000 40 " " R B 2 "ARG " " CD " 6 0 0 1 3911 64.69 + 3911 25 -3.305000 17.796000 31.786000 40 " " R B 2 "ARG " " NE " 7 0 0 1 3912 64.69 + 3912 2 -4.176000 17.564000 32.780000 40 " " R B 2 "ARG " " CZ " 6 0 0 1 3913 64.69 + 3913 25 -5.442000 17.201000 32.538000 40 " " R B 2 "ARG " " NH1" 7 0 0 1 3914 64.69 + 3914 31 -3.769000 17.696000 34.046000 40 " " R B 2 "ARG " " NH2" 7 1 0 1 3915 64.69 + 3915 43 -2.088000 12.999000 30.985000 40 " " R B 2 "ARG " " H " 1 0 0 1 3916 17.91 + 3916 41 -2.294000 14.374000 28.449000 40 " " R B 2 "ARG " " HA " 1 0 0 1 3917 17.91 + 3917 41 -1.356000 16.276000 30.197000 40 " " R B 2 "ARG " " HB3" 1 0 0 1 3918 64.69 + 3918 41 -2.044000 15.193000 31.356000 40 " " R B 2 "ARG " " HB2" 1 0 0 1 3919 64.69 + 3919 41 -4.302000 15.521000 30.323000 40 " " R B 2 "ARG " " HG3" 1 0 0 1 3920 64.69 + 3920 41 -3.546000 16.119000 28.885000 40 " " R B 2 "ARG " " HG2" 1 0 0 1 3921 64.69 + 3921 41 -4.552000 17.983000 30.142000 40 " " R B 2 "ARG " " HD3" 1 0 0 1 3922 64.69 + 3922 41 -2.873000 18.190000 29.746000 40 " " R B 2 "ARG " " HD2" 1 0 0 1 3923 64.69 + 3923 43 -2.354000 18.026000 32.037000 40 " " R B 2 "ARG " " HE " 1 0 0 1 3924 64.69 + 3924 43 -6.079000 17.039000 33.303000 40 " " R B 2 "ARG " "HH12" 1 0 0 1 3925 64.69 + 3925 43 -5.780000 17.169000 31.585000 40 " " R B 2 "ARG " "HH11" 1 0 0 1 3926 64.69 + 3926 44 -4.407000 17.530000 34.811000 40 " " R B 2 "ARG " "HH22" 1 0 0 1 3927 64.69 + 3927 44 -2.796000 17.894000 34.250000 40 " " R B 2 "ARG " "HH21" 1 0 0 1 3928 64.69 + 3928 25 0.186000 15.166000 28.001000 41 " " P B 2 "PRO " " N " 7 0 0 1 3929 8.74 + 3929 3 1.568000 15.335000 27.489000 41 " " P B 2 "PRO " " CA " 6 0 0 1 3930 8.74 + 3930 2 2.758000 15.206000 28.467000 41 " " P B 2 "PRO " " C " 6 0 0 1 3931 8.74 + 3931 15 3.357000 14.132000 28.514000 41 " " P B 2 "PRO " " O " 8 0 0 1 3932 43.39 + 3932 3 1.497000 16.690000 26.769000 41 " " P B 2 "PRO " " CB " 6 0 0 1 3933 43.39 + 3933 3 0.120000 16.672000 26.138000 41 " " P B 2 "PRO " " CG " 6 0 0 1 3934 43.39 + 3934 3 -0.735000 15.990000 27.201000 41 " " P B 2 "PRO " " CD " 6 0 0 1 3935 43.39 + 3935 41 1.699000 14.559000 26.732000 41 " " P B 2 "PRO " " HA " 1 0 0 1 3936 8.74 + 3936 41 2.293000 16.827000 26.036000 41 " " P B 2 "PRO " " HB3" 1 0 0 1 3937 43.39 + 3937 41 1.544000 17.517000 27.477000 41 " " P B 2 "PRO " " HB2" 1 0 0 1 3938 43.39 + 3938 41 0.145000 16.055000 25.239000 41 " " P B 2 "PRO " " HG3" 1 0 0 1 3939 43.39 + 3939 41 -0.245000 17.660000 25.857000 41 " " P B 2 "PRO " " HG2" 1 0 0 1 3940 43.39 + 3940 41 -1.195000 16.743000 27.841000 41 " " P B 2 "PRO " " HD2" 1 0 0 1 3941 43.39 + 3941 41 -1.526000 15.412000 26.722000 41 " " P B 2 "PRO " " HD3" 1 0 0 1 3942 43.39 + 3942 25 3.077000 16.266000 29.232000 42 " " E B 2 "GLU " " N " 7 0 0 1 3943 58.76 + 3943 3 4.192000 16.307000 30.193000 42 " " E B 2 "GLU " " CA " 6 0 0 1 3944 58.76 + 3944 2 3.863000 15.654000 31.557000 42 " " E B 2 "GLU " " C " 6 0 0 1 3945 58.76 + 3945 15 4.534000 15.960000 32.544000 42 " " E B 2 "GLU " " O " 8 0 0 1 3946 109.37 + 3946 3 4.708000 17.764000 30.368000 42 " " E B 2 "GLU " " CB " 6 0 0 1 3947 109.37 + 3947 3 5.486000 18.361000 29.174000 42 " " E B 2 "GLU " " CG " 6 0 0 1 3948 109.37 + 3948 2 4.649000 18.692000 27.938000 42 " " E B 2 "GLU " " CD " 6 0 0 1 3949 109.37 + 3949 15 3.486000 19.113000 28.122000 42 " " E B 2 "GLU " " OE1" 8 0 0 1 3950 109.37 + 3950 18 5.197000 18.531000 26.826000 42 " " E B 2 "GLU " " OE2" 8 -1 0 1 3951 109.37 + 3951 43 2.575000 17.135000 29.109000 42 " " E B 2 "GLU " " H " 1 0 0 1 3952 58.76 + 3952 41 5.019000 15.721000 29.785000 42 " " E B 2 "GLU " " HA " 1 0 0 1 3953 58.76 + 3953 41 5.384000 17.828000 31.221000 42 " " E B 2 "GLU " " HB3" 1 0 0 1 3954 109.37 + 3954 41 3.873000 18.416000 30.627000 42 " " E B 2 "GLU " " HB2" 1 0 0 1 3955 109.37 + 3955 41 6.295000 17.686000 28.890000 42 " " E B 2 "GLU " " HG3" 1 0 0 1 3956 109.37 + 3956 41 5.963000 19.289000 29.490000 42 " " E B 2 "GLU " " HG2" 1 0 0 1 3957 109.37 + 3957 25 2.841000 14.783000 31.613000 43 " " Q B 2 "GLN " " N " 7 0 0 1 3958 37.66 + 3958 3 2.318000 14.188000 32.843000 43 " " Q B 2 "GLN " " CA " 6 0 0 1 3959 37.66 + 3959 2 2.172000 12.666000 32.744000 43 " " Q B 2 "GLN " " C " 6 0 0 1 3960 37.66 + 3960 15 2.178000 12.095000 31.653000 43 " " Q B 2 "GLN " " O " 8 0 0 1 3961 79.18 + 3961 3 0.996000 14.895000 33.213000 43 " " Q B 2 "GLN " " CB " 6 0 0 1 3962 79.18 + 3962 3 1.245000 16.221000 33.962000 43 " " Q B 2 "GLN " " CG " 6 0 0 1 3963 79.18 + 3963 2 0.215000 17.294000 33.623000 43 " " Q B 2 "GLN " " CD " 6 0 0 1 3964 79.18 + 3964 15 -0.856000 17.350000 34.221000 43 " " Q B 2 "GLN " " OE1" 8 0 0 1 3965 79.18 + 3965 25 0.545000 18.162000 32.664000 43 " " Q B 2 "GLN " " NE2" 7 0 0 1 3966 79.18 + 3966 43 2.358000 14.526000 30.763000 43 " " Q B 2 "GLN " " H " 1 0 0 1 3967 37.66 + 3967 41 3.028000 14.347000 33.658000 43 " " Q B 2 "GLN " " HA " 1 0 0 1 3968 37.66 + 3968 41 0.370000 14.260000 33.842000 43 " " Q B 2 "GLN " " HB3" 1 0 0 1 3969 79.18 + 3969 41 0.415000 15.060000 32.304000 43 " " Q B 2 "GLN " " HB2" 1 0 0 1 3970 79.18 + 3970 41 2.228000 16.627000 33.728000 43 " " Q B 2 "GLN " " HG3" 1 0 0 1 3971 79.18 + 3971 41 1.250000 16.045000 35.038000 43 " " Q B 2 "GLN " " HG2" 1 0 0 1 3972 79.18 + 3972 43 -0.077000 18.917000 32.418000 43 " " Q B 2 "GLN " "HE22" 1 0 0 1 3973 79.18 + 3973 43 1.438000 18.087000 32.197000 43 " " Q B 2 "GLN " "HE21" 1 0 0 1 3974 79.18 + 3974 25 2.063000 12.046000 33.928000 44 " " G B 2 "GLY " " N " 7 0 0 1 3975 2.48 + 3975 3 1.948000 10.606000 34.102000 44 " " G B 2 "GLY " " CA " 6 0 0 1 3976 2.48 + 3976 2 0.519000 10.111000 33.853000 44 " " G B 2 "GLY " " C " 6 0 0 1 3977 2.48 + 3977 15 -0.397000 10.879000 33.550000 44 " " G B 2 "GLY " " O " 8 0 0 1 3978 8.04 + 3978 43 2.064000 12.601000 34.772000 44 " " G B 2 "GLY " " H " 1 0 0 1 3979 2.48 + 3979 41 2.237000 10.359000 35.124000 44 " " G B 2 "GLY " " HA3" 1 0 0 1 3980 2.48 + 3980 41 2.636000 10.092000 33.433000 44 " " G B 2 "GLY " " HA2" 1 0 0 1 3981 2.48 + 3981 25 0.361000 8.789000 33.996000 45 " " L B 2 "LEU " " N " 7 0 2 1 3982 9.23 + 3982 3 -0.894000 8.054000 33.855000 45 " " L B 2 "LEU " " CA " 6 0 2 1 3983 9.23 + 3983 2 -1.907000 8.440000 34.952000 45 " " L B 2 "LEU " " C " 6 0 2 1 3984 9.23 + 3984 15 -1.541000 8.488000 36.126000 45 " " L B 2 "LEU " " O " 8 0 2 1 3985 7.82 + 3985 3 -0.578000 6.541000 33.927000 45 " " L B 2 "LEU " " CB " 6 0 2 1 3986 7.82 + 3986 3 0.347000 5.996000 32.809000 45 " " L B 2 "LEU " " CG " 6 0 2 1 3987 7.82 + 3987 3 0.872000 4.594000 33.163000 45 " " L B 2 "LEU " " CD1" 6 0 2 1 3988 7.82 + 3988 3 -0.310000 6.021000 31.414000 45 " " L B 2 "LEU " " CD2" 6 0 2 1 3989 7.82 + 3989 43 1.161000 8.228000 34.250000 45 " " L B 2 "LEU " " H " 1 0 2 1 3990 9.23 + 3990 41 -1.314000 8.295000 32.878000 45 " " L B 2 "LEU " " HA " 1 0 2 1 3991 9.23 + 3991 41 -1.507000 5.969000 33.923000 45 " " L B 2 "LEU " " HB3" 1 0 2 1 3992 7.82 + 3992 41 -0.118000 6.340000 34.896000 45 " " L B 2 "LEU " " HB2" 1 0 2 1 3993 7.82 + 3993 41 1.227000 6.638000 32.765000 45 " " L B 2 "LEU " " HG " 1 0 2 1 3994 7.82 + 3994 41 1.811000 4.390000 32.647000 45 " " L B 2 "LEU " "HD11" 1 0 2 1 3995 7.82 + 3995 41 1.062000 4.489000 34.231000 45 " " L B 2 "LEU " "HD12" 1 0 2 1 3996 7.82 + 3996 41 0.161000 3.815000 32.887000 45 " " L B 2 "LEU " "HD13" 1 0 2 1 3997 7.82 + 3997 41 0.296000 6.597000 30.717000 45 " " L B 2 "LEU " "HD21" 1 0 2 1 3998 7.82 + 3998 41 -0.420000 5.024000 30.988000 45 " " L B 2 "LEU " "HD22" 1 0 2 1 3999 7.82 + 3999 41 -1.302000 6.470000 31.431000 45 " " L B 2 "LEU " "HD23" 1 0 2 1 4000 7.82 + 4000 25 -3.162000 8.678000 34.541000 46 " " E B 2 "GLU " " N " 7 0 2 1 4001 2.48 + 4001 3 -4.317000 8.908000 35.410000 46 " " E B 2 "GLU " " CA " 6 0 2 1 4002 2.48 + 4002 2 -5.352000 7.818000 35.136000 46 " " E B 2 "GLU " " C " 6 0 2 1 4003 2.48 + 4003 15 -5.715000 7.621000 33.980000 46 " " E B 2 "GLU " " O " 8 0 2 1 4004 26.87 + 4004 3 -4.982000 10.262000 35.084000 46 " " E B 2 "GLU " " CB " 6 0 2 1 4005 26.87 + 4005 3 -4.178000 11.510000 35.472000 46 " " E B 2 "GLU " " CG " 6 0 2 1 4006 26.87 + 4006 2 -4.996000 12.771000 35.182000 46 " " E B 2 "GLU " " CD " 6 0 2 1 4007 26.87 + 4007 15 -5.984000 12.994000 35.916000 46 " " E B 2 "GLU " " OE1" 8 0 2 1 4008 26.87 + 4008 18 -4.640000 13.481000 34.216000 46 " " E B 2 "GLU " " OE2" 8 -1 2 1 4009 26.87 + 4009 43 -3.372000 8.628000 33.551000 46 " " E B 2 "GLU " " H " 1 0 2 1 4010 2.48 + 4010 41 -4.035000 8.883000 36.464000 46 " " E B 2 "GLU " " HA " 1 0 2 1 4011 2.48 + 4011 41 -5.955000 10.306000 35.578000 46 " " E B 2 "GLU " " HB3" 1 0 2 1 4012 26.87 + 4012 41 -5.193000 10.311000 34.015000 46 " " E B 2 "GLU " " HB2" 1 0 2 1 4013 26.87 + 4013 41 -3.236000 11.544000 34.923000 46 " " E B 2 "GLU " " HG3" 1 0 2 1 4014 26.87 + 4014 41 -3.928000 11.486000 36.532000 46 " " E B 2 "GLU " " HG2" 1 0 2 1 4015 26.87 + 4015 25 -5.866000 7.177000 36.192000 47 " " W B 2 "TRP " " N " 7 0 2 1 4016 7.34 + 4016 3 -6.966000 6.222000 36.083000 47 " " W B 2 "TRP " " CA " 6 0 2 1 4017 7.34 + 4017 2 -8.307000 6.972000 35.971000 47 " " W B 2 "TRP " " C " 6 0 2 1 4018 7.34 + 4018 15 -8.621000 7.780000 36.846000 47 " " W B 2 "TRP " " O " 8 0 2 1 4019 2.48 + 4019 3 -6.910000 5.300000 37.308000 47 " " W B 2 "TRP " " CB " 6 0 2 1 4020 2.48 + 4020 2 -7.871000 4.154000 37.320000 47 " " W B 2 "TRP " " CG " 6 0 2 1 4021 2.48 + 4021 2 -7.793000 3.058000 36.532000 47 " " W B 2 "TRP " " CD1" 6 0 2 1 4022 2.48 + 4022 2 -9.070000 3.982000 38.132000 47 " " W B 2 "TRP " " CD2" 6 0 2 1 4023 2.48 + 4023 25 -8.848000 2.216000 36.814000 47 " " W B 2 "TRP " " NE1" 7 0 2 1 4024 2.48 + 4024 2 -9.667000 2.732000 37.795000 47 " " W B 2 "TRP " " CE2" 6 0 2 1 4025 2.48 + 4025 2 -9.706000 4.746000 39.136000 47 " " W B 2 "TRP " " CE3" 6 0 2 1 4026 2.48 + 4026 2 -10.834000 2.267000 38.421000 47 " " W B 2 "TRP " " CZ2" 6 0 2 1 4027 2.48 + 4027 2 -10.897000 4.304000 39.747000 47 " " W B 2 "TRP " " CZ3" 6 0 2 1 4028 2.48 + 4028 2 -11.455000 3.061000 39.398000 47 " " W B 2 "TRP " " CH2" 6 0 2 1 4029 2.48 + 4029 43 -5.557000 7.404000 37.127000 47 " " W B 2 "TRP " " H " 1 0 2 1 4030 7.34 + 4030 41 -6.816000 5.607000 35.192000 47 " " W B 2 "TRP " " HA " 1 0 2 1 4031 7.34 + 4031 41 -7.075000 5.892000 38.208000 47 " " W B 2 "TRP " " HB3" 1 0 2 1 4032 2.48 + 4032 41 -5.910000 4.877000 37.409000 47 " " W B 2 "TRP " " HB2" 1 0 2 1 4033 2.48 + 4033 41 -7.016000 2.879000 35.804000 47 " " W B 2 "TRP " " HD1" 1 0 2 1 4034 2.48 + 4034 43 -8.984000 1.328000 36.342000 47 " " W B 2 "TRP " " HE1" 1 0 2 1 4035 2.48 + 4035 41 -9.259000 5.679000 39.442000 47 " " W B 2 "TRP " " HE3" 1 0 2 1 4036 2.48 + 4036 41 -11.258000 1.318000 38.147000 47 " " W B 2 "TRP " " HZ2" 1 0 2 1 4037 2.48 + 4037 41 -11.376000 4.916000 40.496000 47 " " W B 2 "TRP " " HZ3" 1 0 2 1 4038 2.48 + 4038 41 -12.358000 2.714000 39.874000 47 " " W B 2 "TRP " " HH2" 1 0 2 1 4039 2.48 + 4039 25 -9.065000 6.695000 34.897000 48 " " I B 2 "ILE " " N " 7 0 2 1 4040 15.1 + 4040 3 -10.383000 7.288000 34.650000 48 " " I B 2 "ILE " " CA " 6 0 2 1 4041 15.1 + 4041 2 -11.476000 6.526000 35.420000 48 " " I B 2 "ILE " " C " 6 0 2 1 4042 15.1 + 4042 15 -12.277000 7.148000 36.119000 48 " " I B 2 "ILE " " O " 8 0 2 1 4043 5.41 + 4043 3 -10.765000 7.276000 33.134000 48 " " I B 2 "ILE " " CB " 6 0 2 1 4044 5.41 + 4044 3 -9.728000 8.008000 32.255000 48 " " I B 2 "ILE " " CG1" 6 0 2 1 4045 5.41 + 4045 3 -12.187000 7.805000 32.840000 48 " " I B 2 "ILE " " CG2" 6 0 2 1 4046 5.41 + 4046 3 -9.643000 9.514000 32.524000 48 " " I B 2 "ILE " " CD1" 6 0 2 1 4047 5.41 + 4047 43 -8.750000 6.012000 34.221000 48 " " I B 2 "ILE " " H " 1 0 2 1 4048 15.1 + 4048 41 -10.382000 8.320000 35.001000 48 " " I B 2 "ILE " " HA " 1 0 2 1 4049 15.1 + 4049 41 -10.756000 6.241000 32.794000 48 " " I B 2 "ILE " " HB " 1 0 2 1 4050 5.41 + 4050 41 -9.963000 7.843000 31.202000 48 " " I B 2 "ILE " "HG13" 1 0 2 1 4051 5.41 + 4051 41 -8.743000 7.564000 32.398000 48 " " I B 2 "ILE " "HG12" 1 0 2 1 4052 5.41 + 4052 41 -12.321000 7.973000 31.774000 48 " " I B 2 "ILE " "HG21" 1 0 2 1 4053 5.41 + 4053 41 -12.958000 7.105000 33.157000 48 " " I B 2 "ILE " "HG22" 1 0 2 1 4054 5.41 + 4054 41 -12.384000 8.752000 33.342000 48 " " I B 2 "ILE " "HG23" 1 0 2 1 4055 5.41 + 4055 41 -9.703000 10.090000 31.602000 48 " " I B 2 "ILE " "HD11" 1 0 2 1 4056 5.41 + 4056 41 -10.451000 9.855000 33.162000 48 " " I B 2 "ILE " "HD12" 1 0 2 1 4057 5.41 + 4057 41 -8.714000 9.766000 33.033000 48 " " I B 2 "ILE " "HD13" 1 0 2 1 4058 5.41 + 4058 25 -11.476000 5.194000 35.267000 49 " " G B 2 "GLY " " N " 7 0 2 1 4059 13.28 + 4059 3 -12.496000 4.321000 35.821000 49 " " G B 2 "GLY " " CA " 6 0 2 1 4060 13.28 + 4060 2 -12.404000 2.947000 35.152000 49 " " G B 2 "GLY " " C " 6 0 2 1 4061 13.28 + 4061 15 -11.557000 2.705000 34.289000 49 " " G B 2 "GLY " " O " 8 0 2 1 4062 17.39 + 4062 43 -10.773000 4.755000 34.688000 49 " " G B 2 "GLY " " H " 1 0 2 1 4063 13.28 + 4063 41 -13.487000 4.736000 35.637000 49 " " G B 2 "GLY " " HA3" 1 0 2 1 4064 13.28 + 4064 41 -12.357000 4.228000 36.897000 49 " " G B 2 "GLY " " HA2" 1 0 2 1 4065 13.28 + 4065 25 -13.307000 2.052000 35.574000 50 " " L B 2 "LEU " " N " 7 0 2 1 4066 10.23 + 4066 3 -13.459000 0.689000 35.076000 50 " " L B 2 "LEU " " CA " 6 0 2 1 4067 10.23 + 4067 2 -14.938000 0.379000 34.810000 50 " " L B 2 "LEU " " C " 6 0 2 1 4068 10.23 + 4068 15 -15.827000 1.111000 35.248000 50 " " L B 2 "LEU " " O " 8 0 2 1 4069 2.48 + 4069 3 -12.766000 -0.305000 36.055000 50 " " L B 2 "LEU " " CB " 6 0 2 1 4070 2.48 + 4070 3 -13.564000 -0.766000 37.311000 50 " " L B 2 "LEU " " CG " 6 0 2 1 4071 2.48 + 4071 3 -14.477000 -1.982000 37.031000 50 " " L B 2 "LEU " " CD1" 6 0 2 1 4072 2.48 + 4072 3 -12.650000 -1.042000 38.530000 50 " " L B 2 "LEU " " CD2" 6 0 2 1 4073 2.48 + 4073 43 -13.970000 2.329000 36.289000 50 " " L B 2 "LEU " " H " 1 0 2 1 4074 10.23 + 4074 41 -12.962000 0.625000 34.110000 50 " " L B 2 "LEU " " HA " 1 0 2 1 4075 10.23 + 4075 41 -11.841000 0.173000 36.366000 50 " " L B 2 "LEU " " HB3" 1 0 2 1 4076 2.48 + 4076 41 -12.437000 -1.185000 35.500000 50 " " L B 2 "LEU " " HB2" 1 0 2 1 4077 2.48 + 4077 41 -14.206000 0.066000 37.602000 50 " " L B 2 "LEU " " HG " 1 0 2 1 4078 2.48 + 4078 41 -14.444000 -2.740000 37.813000 50 " " L B 2 "LEU " "HD11" 1 0 2 1 4079 2.48 + 4079 41 -15.519000 -1.673000 36.947000 50 " " L B 2 "LEU " "HD12" 1 0 2 1 4080 2.48 + 4080 41 -14.207000 -2.486000 36.105000 50 " " L B 2 "LEU " "HD13" 1 0 2 1 4081 2.48 + 4081 41 -12.915000 -0.398000 39.369000 50 " " L B 2 "LEU " "HD21" 1 0 2 1 4082 2.48 + 4082 41 -12.708000 -2.069000 38.889000 50 " " L B 2 "LEU " "HD22" 1 0 2 1 4083 2.48 + 4083 41 -11.601000 -0.862000 38.318000 50 " " L B 2 "LEU " "HD23" 1 0 2 1 4084 2.48 + 4084 25 -15.149000 -0.746000 34.119000 51 " " I B 2 "ILE " " N " 7 0 2 1 4085 2.48 + 4085 3 -16.432000 -1.409000 33.941000 51 " " I B 2 "ILE " " CA " 6 0 2 1 4086 2.48 + 4086 2 -16.235000 -2.925000 34.080000 51 " " I B 2 "ILE " " C " 6 0 2 1 4087 2.48 + 4087 15 -15.191000 -3.447000 33.694000 51 " " I B 2 "ILE " " O " 8 0 2 1 4088 14.38 + 4088 3 -17.080000 -1.081000 32.564000 51 " " I B 2 "ILE " " CB " 6 0 2 1 4089 14.38 + 4089 3 -18.485000 -1.698000 32.366000 51 " " I B 2 "ILE " " CG1" 6 0 2 1 4090 14.38 + 4090 3 -16.183000 -1.428000 31.357000 51 " " I B 2 "ILE " " CG2" 6 0 2 1 4091 14.38 + 4091 3 -19.355000 -0.934000 31.361000 51 " " I B 2 "ILE " " CD1" 6 0 2 1 4092 14.38 + 4092 43 -14.351000 -1.259000 33.764000 51 " " I B 2 "ILE " " H " 1 0 2 1 4093 2.48 + 4093 41 -17.101000 -1.077000 34.731000 51 " " I B 2 "ILE " " HA " 1 0 2 1 4094 2.48 + 4094 41 -17.224000 -0.002000 32.580000 51 " " I B 2 "ILE " " HB " 1 0 2 1 4095 14.38 + 4095 41 -19.023000 -1.715000 33.311000 51 " " I B 2 "ILE " "HG13" 1 0 2 1 4096 14.38 + 4096 41 -18.403000 -2.739000 32.053000 51 " " I B 2 "ILE " "HG12" 1 0 2 1 4097 14.38 + 4097 41 -16.613000 -1.080000 30.418000 51 " " I B 2 "ILE " "HG21" 1 0 2 1 4098 14.38 + 4098 41 -15.202000 -0.963000 31.440000 51 " " I B 2 "ILE " "HG22" 1 0 2 1 4099 14.38 + 4099 41 -16.040000 -2.503000 31.263000 51 " " I B 2 "ILE " "HG23" 1 0 2 1 4100 14.38 + 4100 41 -20.300000 -1.452000 31.194000 51 " " I B 2 "ILE " "HD11" 1 0 2 1 4101 14.38 + 4101 41 -19.587000 0.069000 31.718000 51 " " I B 2 "ILE " "HD12" 1 0 2 1 4102 14.38 + 4102 41 -18.860000 -0.832000 30.399000 51 " " I B 2 "ILE " "HD13" 1 0 2 1 4103 14.38 + 4103 25 -17.265000 -3.583000 34.619000 52 " " D B 2 "ASP " " N " 7 0 2 1 4104 10.19 + 4104 3 -17.454000 -5.022000 34.682000 52 " " D B 2 "ASP " " CA " 6 0 2 1 4105 10.19 + 4105 2 -18.600000 -5.325000 33.691000 52 " " D B 2 "ASP " " C " 6 0 2 1 4106 10.19 + 4106 15 -19.761000 -5.205000 34.087000 52 " " D B 2 "ASP " " O " 8 0 2 1 4107 29.28 + 4107 3 -17.819000 -5.443000 36.131000 52 " " D B 2 "ASP " " CB " 6 0 2 1 4108 29.28 + 4108 2 -17.941000 -6.956000 36.341000 52 " " D B 2 "ASP " " CG " 6 0 2 1 4109 29.28 + 4109 15 -17.404000 -7.710000 35.500000 52 " " D B 2 "ASP " " OD1" 8 0 2 1 4110 29.28 + 4110 18 -18.512000 -7.332000 37.388000 52 " " D B 2 "ASP " " OD2" 8 -1 2 1 4111 29.28 + 4111 43 -18.057000 -3.041000 34.948000 52 " " D B 2 "ASP " " H " 1 0 2 1 4112 10.19 + 4112 41 -16.539000 -5.543000 34.399000 52 " " D B 2 "ASP " " HA " 1 0 2 1 4113 10.19 + 4113 41 -18.764000 -4.980000 36.420000 52 " " D B 2 "ASP " " HB3" 1 0 2 1 4114 29.28 + 4114 41 -17.065000 -5.065000 36.821000 52 " " D B 2 "ASP " " HB2" 1 0 2 1 4115 29.28 + 4115 25 -18.290000 -5.677000 32.418000 53 " " P B 2 "PRO " " N " 7 0 0 1 4116 4.08 + 4116 3 -19.318000 -5.962000 31.393000 53 " " P B 2 "PRO " " CA " 6 0 0 1 4117 4.08 + 4117 2 -20.201000 -7.202000 31.652000 53 " " P B 2 "PRO " " C " 6 0 0 1 4118 4.08 + 4118 15 -21.146000 -7.413000 30.894000 53 " " P B 2 "PRO " " O " 8 0 0 1 4119 6.72 + 4119 3 -18.525000 -6.082000 30.075000 53 " " P B 2 "PRO " " CB " 6 0 0 1 4120 6.72 + 4120 3 -17.188000 -5.426000 30.363000 53 " " P B 2 "PRO " " CG " 6 0 0 1 4121 6.72 + 4121 3 -16.963000 -5.779000 31.822000 53 " " P B 2 "PRO " " CD " 6 0 0 1 4122 6.72 + 4122 41 -19.966000 -5.086000 31.332000 53 " " P B 2 "PRO " " HA " 1 0 0 1 4123 4.08 + 4123 41 -19.038000 -5.616000 29.233000 53 " " P B 2 "PRO " " HB3" 1 0 0 1 4124 6.72 + 4124 41 -18.364000 -7.128000 29.815000 53 " " P B 2 "PRO " " HB2" 1 0 0 1 4125 6.72 + 4125 41 -17.281000 -4.344000 30.255000 53 " " P B 2 "PRO " " HG3" 1 0 0 1 4126 6.72 + 4126 41 -16.387000 -5.758000 29.707000 53 " " P B 2 "PRO " " HG2" 1 0 0 1 4127 6.72 + 4127 41 -16.647000 -6.815000 31.924000 53 " " P B 2 "PRO " " HD2" 1 0 0 1 4128 6.72 + 4128 41 -16.197000 -5.144000 32.250000 53 " " P B 2 "PRO " " HD3" 1 0 0 1 4129 6.72 + 4129 25 -19.901000 -7.972000 32.715000 54 " " E B 2 "GLU " " N " 7 0 0 1 4130 2.48 + 4130 3 -20.733000 -9.035000 33.273000 54 " " E B 2 "GLU " " CA " 6 0 0 1 4131 2.48 + 4131 2 -22.076000 -8.494000 33.799000 54 " " E B 2 "GLU " " C " 6 0 0 1 4132 2.48 + 4132 15 -23.066000 -8.539000 33.069000 54 " " E B 2 "GLU " " O " 8 0 0 1 4133 30.05 + 4133 3 -19.902000 -9.828000 34.314000 54 " " E B 2 "GLU " " CB " 6 0 0 1 4134 30.05 + 4134 3 -20.611000 -10.866000 35.213000 54 " " E B 2 "GLU " " CG " 6 0 0 1 4135 30.05 + 4135 2 -21.394000 -11.974000 34.500000 54 " " E B 2 "GLU " " CD " 6 0 0 1 4136 30.05 + 4136 15 -22.207000 -11.652000 33.605000 54 " " E B 2 "GLU " " OE1" 8 0 0 1 4137 30.05 + 4137 18 -21.197000 -13.142000 34.897000 54 " " E B 2 "GLU " " OE2" 8 -1 0 1 4138 30.05 + 4138 43 -19.086000 -7.739000 33.267000 54 " " E B 2 "GLU " " H " 1 0 0 1 4139 2.48 + 4139 41 -20.966000 -9.713000 32.458000 54 " " E B 2 "GLU " " HA " 1 0 0 1 4140 2.48 + 4140 41 -19.419000 -9.119000 34.980000 54 " " E B 2 "GLU " " HB3" 1 0 0 1 4141 30.05 + 4141 41 -19.085000 -10.327000 33.803000 54 " " E B 2 "GLU " " HB2" 1 0 0 1 4142 30.05 + 4142 41 -21.289000 -10.359000 35.890000 54 " " E B 2 "GLU " " HG3" 1 0 0 1 4143 30.05 + 4143 41 -19.862000 -11.331000 35.854000 54 " " E B 2 "GLU " " HG2" 1 0 0 1 4144 30.05 + 4144 25 -22.073000 -7.991000 35.045000 55 " " N B 2 "ASN " " N " 7 0 0 1 4145 22.85 + 4145 3 -23.234000 -7.427000 35.742000 55 " " N B 2 "ASN " " CA " 6 0 0 1 4146 22.85 + 4146 2 -23.211000 -5.888000 35.658000 55 " " N B 2 "ASN " " C " 6 0 0 1 4147 22.85 + 4147 15 -23.522000 -5.229000 36.649000 55 " " N B 2 "ASN " " O " 8 0 0 1 4148 84.78 + 4148 3 -23.256000 -7.978000 37.196000 55 " " N B 2 "ASN " " CB " 6 0 0 1 4149 84.78 + 4149 2 -23.896000 -9.366000 37.311000 55 " " N B 2 "ASN " " CG " 6 0 0 1 4150 84.78 + 4150 15 -25.102000 -9.506000 37.123000 55 " " N B 2 "ASN " " OD1" 8 0 0 1 4151 84.78 + 4151 25 -23.116000 -10.389000 37.661000 55 " " N B 2 "ASN " " ND2" 7 0 0 1 4152 84.78 + 4152 43 -21.206000 -7.988000 35.564000 55 " " N B 2 "ASN " " H " 1 0 0 1 4153 22.85 + 4153 41 -24.126000 -7.784000 35.224000 55 " " N B 2 "ASN " " HA " 1 0 0 1 4154 22.85 + 4154 41 -23.880000 -7.352000 37.834000 55 " " N B 2 "ASN " " HB3" 1 0 0 1 4155 84.78 + 4155 41 -22.261000 -7.958000 37.644000 55 " " N B 2 "ASN " " HB2" 1 0 0 1 4156 84.78 + 4156 43 -23.508000 -11.315000 37.750000 55 " " N B 2 "ASN " "HD22" 1 0 0 1 4157 84.78 + 4157 43 -22.129000 -10.252000 37.824000 55 " " N B 2 "ASN " "HD21" 1 0 0 1 4158 84.78 + 4158 25 -22.885000 -5.358000 34.460000 56 " " G B 2 "GLY " " N " 7 0 0 1 4159 12.03 + 4159 3 -22.963000 -3.958000 34.008000 56 " " G B 2 "GLY " " CA " 6 0 0 1 4160 12.03 + 4160 2 -22.410000 -2.876000 34.955000 56 " " G B 2 "GLY " " C " 6 0 0 1 4161 12.03 + 4161 15 -22.775000 -1.710000 34.803000 56 " " G B 2 "GLY " " O " 8 0 0 1 4162 18 + 4162 43 -22.622000 -6.015000 33.739000 56 " " G B 2 "GLY " " H " 1 0 0 1 4163 12.03 + 4163 41 -24.007000 -3.730000 33.791000 56 " " G B 2 "GLY " " HA3" 1 0 0 1 4164 12.03 + 4164 41 -22.427000 -3.882000 33.062000 56 " " G B 2 "GLY " " HA2" 1 0 0 1 4165 12.03 + 4165 25 -21.577000 -3.249000 35.939000 57 " " N B 2 "ASN " " N " 7 0 2 1 4166 10.28 + 4166 3 -21.141000 -2.396000 37.042000 57 " " N B 2 "ASN " " CA " 6 0 2 1 4167 10.28 + 4167 2 -19.984000 -1.498000 36.600000 57 " " N B 2 "ASN " " C " 6 0 2 1 4168 10.28 + 4168 15 -19.149000 -1.954000 35.829000 57 " " N B 2 "ASN " " O " 8 0 2 1 4169 44.28 + 4169 3 -20.695000 -3.297000 38.218000 57 " " N B 2 "ASN " " CB " 6 0 2 1 4170 44.28 + 4170 2 -21.154000 -2.750000 39.569000 57 " " N B 2 "ASN " " CG " 6 0 2 1 4171 44.28 + 4171 15 -20.513000 -1.864000 40.130000 57 " " N B 2 "ASN " " OD1" 8 0 2 1 4172 44.28 + 4172 25 -22.265000 -3.271000 40.093000 57 " " N B 2 "ASN " " ND2" 7 0 2 1 4173 44.28 + 4173 43 -21.293000 -4.217000 35.990000 57 " " N B 2 "ASN " " H " 1 0 2 1 4174 10.28 + 4174 41 -21.949000 -1.729000 37.353000 57 " " N B 2 "ASN " " HA " 1 0 2 1 4175 10.28 + 4175 41 -19.618000 -3.476000 38.223000 57 " " N B 2 "ASN " " HB3" 1 0 2 1 4176 44.28 + 4176 41 -21.145000 -4.287000 38.117000 57 " " N B 2 "ASN " " HB2" 1 0 2 1 4177 44.28 + 4177 43 -22.603000 -2.944000 40.986000 57 " " N B 2 "ASN " "HD22" 1 0 2 1 4178 44.28 + 4178 43 -22.774000 -3.993000 39.603000 57 " " N B 2 "ASN " "HD21" 1 0 2 1 4179 44.28 + 4179 25 -19.934000 -0.260000 37.111000 58 " " T B 2 "THR " " N " 7 0 2 1 4180 2.48 + 4180 3 -18.856000 0.684000 36.825000 58 " " T B 2 "THR " " CA " 6 0 2 1 4181 2.48 + 4181 2 -18.397000 1.364000 38.121000 58 " " T B 2 "THR " " C " 6 0 2 1 4182 2.48 + 4182 15 -19.212000 1.615000 39.010000 58 " " T B 2 "THR " " O " 8 0 2 1 4183 15.53 + 4183 3 -19.264000 1.772000 35.785000 58 " " T B 2 "THR " " CB " 6 0 2 1 4184 15.53 + 4184 16 -19.977000 2.874000 36.319000 58 " " T B 2 "THR " " OG1" 8 0 2 1 4185 15.53 + 4185 3 -20.018000 1.243000 34.558000 58 " " T B 2 "THR " " CG2" 6 0 2 1 4186 15.53 + 4186 43 -20.639000 0.056000 37.762000 58 " " T B 2 "THR " " H " 1 0 2 1 4187 2.48 + 4187 41 -17.991000 0.146000 36.438000 58 " " T B 2 "THR " " HA " 1 0 2 1 4188 2.48 + 4188 41 -18.332000 2.188000 35.406000 58 " " T B 2 "THR " " HB " 1 0 2 1 4189 15.53 + 4189 42 -19.437000 3.297000 36.991000 58 " " T B 2 "THR " " HG1" 1 0 2 1 4190 15.53 + 4190 41 -20.203000 2.041000 33.840000 58 " " T B 2 "THR " "HG21" 1 0 2 1 4191 15.53 + 4191 41 -19.435000 0.475000 34.055000 58 " " T B 2 "THR " "HG22" 1 0 2 1 4192 15.53 + 4192 41 -20.984000 0.814000 34.825000 58 " " T B 2 "THR " "HG23" 1 0 2 1 4193 15.53 + 4193 25 -17.092000 1.659000 38.183000 59 " " I B 2 "ILE " " N " 7 0 2 1 4194 2.48 + 4194 3 -16.467000 2.410000 39.265000 59 " " I B 2 "ILE " " CA " 6 0 2 1 4195 2.48 + 4195 2 -15.582000 3.470000 38.604000 59 " " I B 2 "ILE " " C " 6 0 2 1 4196 2.48 + 4196 15 -14.744000 3.115000 37.778000 59 " " I B 2 "ILE " " O " 8 0 2 1 4197 2.48 + 4197 3 -15.554000 1.522000 40.161000 59 " " I B 2 "ILE " " CB " 6 0 2 1 4198 2.48 + 4198 3 -16.323000 0.367000 40.854000 59 " " I B 2 "ILE " " CG1" 6 0 2 1 4199 2.48 + 4199 3 -14.828000 2.348000 41.242000 59 " " I B 2 "ILE " " CG2" 6 0 2 1 4200 2.48 + 4200 3 -16.430000 -0.931000 40.038000 59 " " I B 2 "ILE " " CD1" 6 0 2 1 4201 2.48 + 4201 43 -16.488000 1.425000 37.407000 59 " " I B 2 "ILE " " H " 1 0 2 1 4202 2.48 + 4202 41 -17.216000 2.908000 39.885000 59 " " I B 2 "ILE " " HA " 1 0 2 1 4203 2.48 + 4203 41 -14.775000 1.086000 39.538000 59 " " I B 2 "ILE " " HB " 1 0 2 1 4204 2.48 + 4204 41 -17.319000 0.706000 41.143000 59 " " I B 2 "ILE " "HG13" 1 0 2 1 4205 2.48 + 4205 41 -15.827000 0.107000 41.790000 59 " " I B 2 "ILE " "HG12" 1 0 2 1 4206 2.48 + 4206 41 -14.076000 1.726000 41.708000 59 " " I B 2 "ILE " "HG21" 1 0 2 1 4207 2.48 + 4207 41 -14.294000 3.220000 40.867000 59 " " I B 2 "ILE " "HG22" 1 0 2 1 4208 2.48 + 4208 41 -15.518000 2.695000 42.012000 59 " " I B 2 "ILE " "HG23" 1 0 2 1 4209 2.48 + 4209 41 -16.616000 -1.781000 40.694000 59 " " I B 2 "ILE " "HD11" 1 0 2 1 4210 2.48 + 4210 41 -17.246000 -0.900000 39.318000 59 " " I B 2 "ILE " "HD12" 1 0 2 1 4211 2.48 + 4211 41 -15.508000 -1.139000 39.498000 59 " " I B 2 "ILE " "HD13" 1 0 2 1 4212 2.48 + 4212 25 -15.770000 4.740000 38.991000 60 " " Y B 2 "TYR " " N " 7 0 2 1 4213 2.48 + 4213 3 -14.976000 5.862000 38.493000 60 " " Y B 2 "TYR " " CA " 6 0 2 1 4214 2.48 + 4214 2 -14.117000 6.429000 39.623000 60 " " Y B 2 "TYR " " C " 6 0 2 1 4215 2.48 + 4215 15 -14.502000 6.370000 40.793000 60 " " Y B 2 "TYR " " O " 8 0 2 1 4216 15.08 + 4216 3 -15.897000 6.977000 37.941000 60 " " Y B 2 "TYR " " CB " 6 0 2 1 4217 15.08 + 4217 2 -16.885000 6.599000 36.846000 60 " " Y B 2 "TYR " " CG " 6 0 2 1 4218 15.08 + 4218 2 -16.735000 5.425000 36.076000 60 " " Y B 2 "TYR " " CD1" 6 0 2 1 4219 15.08 + 4219 2 -17.993000 7.439000 36.607000 60 " " Y B 2 "TYR " " CD2" 6 0 2 1 4220 15.08 + 4220 2 -17.732000 5.040000 35.166000 60 " " Y B 2 "TYR " " CE1" 6 0 2 1 4221 15.08 + 4221 2 -18.968000 7.077000 35.656000 60 " " Y B 2 "TYR " " CE2" 6 0 2 1 4222 15.08 + 4222 2 -18.855000 5.859000 34.960000 60 " " Y B 2 "TYR " " CZ " 6 0 2 1 4223 15.08 + 4223 16 -19.831000 5.463000 34.093000 60 " " Y B 2 "TYR " " OH " 8 0 2 1 4224 15.08 + 4224 43 -16.467000 4.960000 39.688000 60 " " Y B 2 "TYR " " H " 1 0 2 1 4225 2.48 + 4225 41 -14.301000 5.551000 37.696000 60 " " Y B 2 "TYR " " HA " 1 0 2 1 4226 2.48 + 4226 41 -15.289000 7.799000 37.559000 60 " " Y B 2 "TYR " " HB3" 1 0 2 1 4227 15.08 + 4227 41 -16.477000 7.394000 38.766000 60 " " Y B 2 "TYR " " HB2" 1 0 2 1 4228 15.08 + 4228 41 -15.874000 4.788000 36.185000 60 " " Y B 2 "TYR " " HD1" 1 0 2 1 4229 15.08 + 4229 41 -18.113000 8.351000 37.171000 60 " " Y B 2 "TYR " " HD2" 1 0 2 1 4230 15.08 + 4230 41 -17.620000 4.123000 34.609000 60 " " Y B 2 "TYR " " HE1" 1 0 2 1 4231 15.08 + 4231 41 -19.822000 7.718000 35.492000 60 " " Y B 2 "TYR " " HE2" 1 0 2 1 4232 15.08 + 4232 42 -19.738000 4.552000 33.802000 60 " " Y B 2 "TYR " " HH " 1 0 2 1 4233 15.08 + 4233 25 -12.997000 7.044000 39.220000 61 " " D B 2 "ASP " " N " 7 0 0 1 4234 12.21 + 4234 3 -12.221000 7.954000 40.055000 61 " " D B 2 "ASP " " CA " 6 0 0 1 4235 12.21 + 4235 2 -13.085000 9.208000 40.340000 61 " " D B 2 "ASP " " C " 6 0 0 1 4236 12.21 + 4236 15 -13.724000 9.688000 39.399000 61 " " D B 2 "ASP " " O " 8 0 0 1 4237 25.24 + 4237 3 -10.916000 8.321000 39.323000 61 " " D B 2 "ASP " " CB " 6 0 0 1 4238 25.24 + 4238 2 -9.922000 9.146000 40.148000 61 " " D B 2 "ASP " " CG " 6 0 0 1 4239 25.24 + 4239 15 -10.209000 10.342000 40.372000 61 " " D B 2 "ASP " " OD1" 8 0 0 1 4240 25.24 + 4240 18 -8.881000 8.570000 40.530000 61 " " D B 2 "ASP " " OD2" 8 -1 0 1 4241 25.24 + 4241 43 -12.756000 7.044000 38.238000 61 " " D B 2 "ASP " " H " 1 0 0 1 4242 12.21 + 4242 41 -11.968000 7.407000 40.957000 61 " " D B 2 "ASP " " HA " 1 0 0 1 4243 12.21 + 4243 41 -11.137000 8.840000 38.399000 61 " " D B 2 "ASP " " HB3" 1 0 0 1 4244 25.24 + 4244 41 -10.414000 7.420000 38.983000 61 " " D B 2 "ASP " " HB2" 1 0 0 1 4245 25.24 + 4245 25 -13.099000 9.710000 41.601000 62 " " P B 2 "PRO " " N " 7 0 0 1 4246 9.35 + 4246 3 -13.786000 10.962000 41.991000 62 " " P B 2 "PRO " " CA " 6 0 0 1 4247 9.35 + 4247 2 -13.667000 12.162000 41.030000 62 " " P B 2 "PRO " " C " 6 0 0 1 4248 9.35 + 4248 15 -14.668000 12.832000 40.783000 62 " " P B 2 "PRO " " O " 8 0 0 1 4249 24.59 + 4249 3 -13.193000 11.284000 43.368000 62 " " P B 2 "PRO " " CB " 6 0 0 1 4250 24.59 + 4250 3 -12.913000 9.920000 43.968000 62 " " P B 2 "PRO " " CG " 6 0 0 1 4251 24.59 + 4251 3 -12.447000 9.106000 42.768000 62 " " P B 2 "PRO " " CD " 6 0 0 1 4252 24.59 + 4252 41 -14.833000 10.711000 42.135000 62 " " P B 2 "PRO " " HA " 1 0 0 1 4253 9.35 + 4253 41 -13.863000 11.880000 43.989000 62 " " P B 2 "PRO " " HB3" 1 0 0 1 4254 24.59 + 4254 41 -12.255000 11.835000 43.268000 62 " " P B 2 "PRO " " HB2" 1 0 0 1 4255 24.59 + 4255 41 -13.843000 9.500000 44.354000 62 " " P B 2 "PRO " " HG3" 1 0 0 1 4256 24.59 + 4256 41 -12.190000 9.941000 44.783000 62 " " P B 2 "PRO " " HG2" 1 0 0 1 4257 24.59 + 4257 41 -11.365000 9.186000 42.657000 62 " " P B 2 "PRO " " HD2" 1 0 0 1 4258 24.59 + 4258 41 -12.707000 8.056000 42.906000 62 " " P B 2 "PRO " " HD3" 1 0 0 1 4259 24.59 + 4259 25 -12.457000 12.368000 40.481000 63 " " K B 2 "LYS " " N " 7 0 0 1 4260 20.45 + 4260 3 -12.092000 13.443000 39.556000 63 " " K B 2 "LYS " " CA " 6 0 0 1 4261 20.45 + 4261 2 -12.844000 13.414000 38.207000 63 " " K B 2 "LYS " " C " 6 0 0 1 4262 20.45 + 4262 15 -12.966000 14.467000 37.580000 63 " " K B 2 "LYS " " O " 8 0 0 1 4263 46.19 + 4263 3 -10.560000 13.373000 39.360000 63 " " K B 2 "LYS " " CB " 6 0 0 1 4264 46.19 + 4264 3 -9.926000 14.527000 38.566000 63 " " K B 2 "LYS " " CG " 6 0 0 1 4265 46.19 + 4265 3 -8.396000 14.393000 38.489000 63 " " K B 2 "LYS " " CD " 6 0 0 1 4266 46.19 + 4266 3 -7.719000 15.514000 37.688000 63 " " K B 2 "LYS " " CE " 6 0 0 1 4267 46.19 + 4267 32 -7.869000 16.825000 38.344000 63 " " K B 2 "LYS " " NZ " 7 1 0 1 4268 46.19 + 4268 43 -11.706000 11.725000 40.702000 63 " " K B 2 "LYS " " H " 1 0 0 1 4269 20.45 + 4269 41 -12.334000 14.388000 40.044000 63 " " K B 2 "LYS " " HA " 1 0 0 1 4270 20.45 + 4270 41 -10.302000 12.433000 38.871000 63 " " K B 2 "LYS " " HB3" 1 0 0 1 4271 46.19 + 4271 41 -10.086000 13.342000 40.342000 63 " " K B 2 "LYS " " HB2" 1 0 0 1 4272 46.19 + 4272 41 -10.204000 15.476000 39.027000 63 " " K B 2 "LYS " " HG3" 1 0 0 1 4273 46.19 + 4273 41 -10.322000 14.545000 37.550000 63 " " K B 2 "LYS " " HG2" 1 0 0 1 4274 46.19 + 4274 41 -8.146000 13.436000 38.028000 63 " " K B 2 "LYS " " HD3" 1 0 0 1 4275 46.19 + 4275 41 -7.977000 14.356000 39.496000 63 " " K B 2 "LYS " " HD2" 1 0 0 1 4276 46.19 + 4276 41 -8.131000 15.563000 36.680000 63 " " K B 2 "LYS " " HE3" 1 0 0 1 4277 46.19 + 4277 41 -6.654000 15.301000 37.585000 63 " " K B 2 "LYS " " HE2" 1 0 0 1 4278 46.19 + 4278 44 -7.412000 17.535000 37.789000 63 " " K B 2 "LYS " " HZ1" 1 0 0 1 4279 46.19 + 4279 44 -8.851000 17.048000 38.429000 63 " " K B 2 "LYS " " HZ2" 1 0 0 1 4280 46.19 + 4280 44 -7.451000 16.793000 39.263000 63 " " K B 2 "LYS " " HZ3" 1 0 0 1 4281 46.19 + 4281 25 -13.328000 12.231000 37.788000 64 " " F B 2 "PHE " " N " 7 0 0 1 4282 11.56 + 4282 3 -13.968000 12.002000 36.490000 64 " " F B 2 "PHE " " CA " 6 0 0 1 4283 11.56 + 4283 2 -15.481000 11.737000 36.568000 64 " " F B 2 "PHE " " C " 6 0 0 1 4284 11.56 + 4284 15 -16.086000 11.510000 35.522000 64 " " F B 2 "PHE " " O " 8 0 0 1 4285 7.28 + 4285 3 -13.234000 10.865000 35.750000 64 " " F B 2 "PHE " " CB " 6 0 0 1 4286 7.28 + 4286 2 -11.823000 11.237000 35.337000 64 " " F B 2 "PHE " " CG " 6 0 0 1 4287 7.28 + 4287 2 -11.607000 12.076000 34.224000 64 " " F B 2 "PHE " " CD1" 6 0 0 1 4288 7.28 + 4288 2 -10.731000 10.910000 36.166000 64 " " F B 2 "PHE " " CD2" 6 0 0 1 4289 7.28 + 4289 2 -10.322000 12.512000 33.927000 64 " " F B 2 "PHE " " CE1" 6 0 0 1 4290 7.28 + 4290 2 -9.453000 11.337000 35.845000 64 " " F B 2 "PHE " " CE2" 6 0 0 1 4291 7.28 + 4291 2 -9.249000 12.136000 34.728000 64 " " F B 2 "PHE " " CZ " 6 0 0 1 4292 7.28 + 4292 43 -13.208000 11.413000 38.372000 64 " " F B 2 "PHE " " H " 1 0 0 1 4293 11.56 + 4293 41 -13.872000 12.897000 35.875000 64 " " F B 2 "PHE " " HA " 1 0 0 1 4294 11.56 + 4294 41 -13.772000 10.585000 34.845000 64 " " F B 2 "PHE " " HB3" 1 0 0 1 4295 7.28 + 4295 41 -13.198000 9.967000 36.371000 64 " " F B 2 "PHE " " HB2" 1 0 0 1 4296 7.28 + 4296 41 -12.437000 12.385000 33.606000 64 " " F B 2 "PHE " " HD1" 1 0 0 1 4297 7.28 + 4297 41 -10.884000 10.339000 37.061000 64 " " F B 2 "PHE " " HD2" 1 0 0 1 4298 7.28 + 4298 41 -10.156000 13.147000 33.070000 64 " " F B 2 "PHE " " HE1" 1 0 0 1 4299 7.28 + 4299 41 -8.618000 11.069000 36.477000 64 " " F B 2 "PHE " " HE2" 1 0 0 1 4300 7.28 + 4300 41 -8.253000 12.478000 34.494000 64 " " F B 2 "PHE " " HZ " 1 0 0 1 4301 7.28 + 4301 25 -16.085000 11.784000 37.768000 65 " " Q B 2 "GLN " " N " 7 0 0 1 4302 40.91 + 4302 3 -17.526000 11.591000 37.968000 65 " " Q B 2 "GLN " " CA " 6 0 0 1 4303 40.91 + 4303 2 -18.345000 12.715000 37.311000 65 " " Q B 2 "GLN " " C " 6 0 0 1 4304 40.91 + 4304 15 -18.125000 13.886000 37.619000 65 " " Q B 2 "GLN " " O " 8 0 0 1 4305 40.02 + 4305 3 -17.835000 11.494000 39.472000 65 " " Q B 2 "GLN " " CB " 6 0 0 1 4306 40.02 + 4306 3 -17.166000 10.286000 40.163000 65 " " Q B 2 "GLN " " CG " 6 0 0 1 4307 40.02 + 4307 2 -18.127000 9.230000 40.712000 65 " " Q B 2 "GLN " " CD " 6 0 0 1 4308 40.02 + 4308 15 -19.216000 9.020000 40.184000 65 " " Q B 2 "GLN " " OE1" 8 0 0 1 4309 40.02 + 4309 25 -17.701000 8.529000 41.765000 65 " " Q B 2 "GLN " " NE2" 7 0 0 1 4310 40.02 + 4310 43 -15.541000 11.997000 38.594000 65 " " Q B 2 "GLN " " H " 1 0 0 1 4311 40.91 + 4311 41 -17.802000 10.642000 37.504000 65 " " Q B 2 "GLN " " HA " 1 0 0 1 4312 40.91 + 4312 41 -18.915000 11.494000 39.633000 65 " " Q B 2 "GLN " " HB3" 1 0 0 1 4313 40.02 + 4313 41 -17.482000 12.404000 39.959000 65 " " Q B 2 "GLN " " HB2" 1 0 0 1 4314 40.02 + 4314 41 -16.597000 10.672000 41.002000 65 " " Q B 2 "GLN " " HG3" 1 0 0 1 4315 40.02 + 4315 41 -16.450000 9.791000 39.507000 65 " " Q B 2 "GLN " " HG2" 1 0 0 1 4316 40.02 + 4316 43 -18.291000 7.814000 42.164000 65 " " Q B 2 "GLN " "HE22" 1 0 0 1 4317 40.02 + 4317 43 -16.792000 8.704000 42.168000 65 " " Q B 2 "GLN " "HE21" 1 0 0 1 4318 40.02 + 4318 25 -19.247000 12.327000 36.395000 66 " " G B 2 "GLY " " N " 7 0 0 1 4319 65.11 + 4319 3 -20.079000 13.232000 35.597000 66 " " G B 2 "GLY " " CA " 6 0 0 1 4320 65.11 + 4320 2 -19.348000 13.744000 34.343000 66 " " G B 2 "GLY " " C " 6 0 0 1 4321 65.11 + 4321 15 -20.009000 14.066000 33.356000 66 " " G B 2 "GLY " " O " 8 0 0 1 4322 64.85 + 4322 43 -19.345000 11.342000 36.197000 66 " " G B 2 "GLY " " H " 1 0 0 1 4323 65.11 + 4323 41 -20.409000 14.083000 36.196000 66 " " G B 2 "GLY " " HA3" 1 0 0 1 4324 65.11 + 4324 41 -20.977000 12.694000 35.292000 66 " " G B 2 "GLY " " HA2" 1 0 0 1 4325 65.11 + 4325 25 -18.005000 13.795000 34.361000 67 " " K B 2 "LYS " " N " 7 0 0 1 4326 2.48 + 4326 3 -17.157000 14.148000 33.225000 67 " " K B 2 "LYS " " CA " 6 0 0 1 4327 2.48 + 4327 2 -17.062000 12.998000 32.207000 67 " " K B 2 "LYS " " C " 6 0 0 1 4328 2.48 + 4328 15 -17.112000 13.251000 31.004000 67 " " K B 2 "LYS " " O " 8 0 0 1 4329 22.88 + 4329 3 -15.766000 14.543000 33.769000 67 " " K B 2 "LYS " " CB " 6 0 0 1 4330 22.88 + 4330 3 -14.736000 14.993000 32.722000 67 " " K B 2 "LYS " " CG " 6 0 0 1 4331 22.88 + 4331 3 -15.159000 16.276000 32.000000 67 " " K B 2 "LYS " " CD " 6 0 0 1 4332 22.88 + 4332 3 -14.097000 16.747000 31.011000 67 " " K B 2 "LYS " " CE " 6 0 0 1 4333 22.88 + 4333 32 -14.472000 18.014000 30.370000 67 " " K B 2 "LYS " " NZ " 7 1 0 1 4334 22.88 + 4334 43 -17.521000 13.522000 35.204000 67 " " K B 2 "LYS " " H " 1 0 0 1 4335 2.48 + 4335 41 -17.607000 15.010000 32.730000 67 " " K B 2 "LYS " " HA " 1 0 0 1 4336 2.48 + 4336 41 -15.341000 13.700000 34.308000 67 " " K B 2 "LYS " " HB3" 1 0 0 1 4337 22.88 + 4337 41 -15.881000 15.338000 34.507000 67 " " K B 2 "LYS " " HB2" 1 0 0 1 4338 22.88 + 4338 41 -14.548000 14.199000 31.998000 67 " " K B 2 "LYS " " HG3" 1 0 0 1 4339 22.88 + 4339 41 -13.783000 15.163000 33.225000 67 " " K B 2 "LYS " " HG2" 1 0 0 1 4340 22.88 + 4340 41 -15.356000 17.060000 32.732000 67 " " K B 2 "LYS " " HD3" 1 0 0 1 4341 22.88 + 4341 41 -16.095000 16.102000 31.476000 67 " " K B 2 "LYS " " HD2" 1 0 0 1 4342 22.88 + 4342 41 -13.939000 15.992000 30.239000 67 " " K B 2 "LYS " " HE3" 1 0 0 1 4343 22.88 + 4343 41 -13.152000 16.896000 31.531000 67 " " K B 2 "LYS " " HE2" 1 0 0 1 4344 22.88 + 4344 44 -15.348000 17.895000 29.878000 67 " " K B 2 "LYS " " HZ1" 1 0 0 1 4345 22.88 + 4345 44 -14.564000 18.744000 31.060000 67 " " K B 2 "LYS " " HZ2" 1 0 0 1 4346 22.88 + 4346 44 -13.741000 18.254000 29.708000 67 " " K B 2 "LYS " " HZ3" 1 0 0 1 4347 22.88 + 4347 25 -16.926000 11.771000 32.732000 68 " " A B 2 "ALA " " N " 7 0 2 1 4348 2.48 + 4348 3 -16.785000 10.528000 31.989000 68 " " A B 2 "ALA " " CA " 6 0 2 1 4349 2.48 + 4349 2 -17.990000 9.610000 32.232000 68 " " A B 2 "ALA " " C " 6 0 2 1 4350 2.48 + 4350 15 -18.678000 9.736000 33.247000 68 " " A B 2 "ALA " " O " 8 0 2 1 4351 25.94 + 4351 3 -15.496000 9.832000 32.457000 68 " " A B 2 "ALA " " CB " 6 0 2 1 4352 25.94 + 4352 43 -16.905000 11.673000 33.740000 68 " " A B 2 "ALA " " H " 1 0 2 1 4353 2.48 + 4353 41 -16.691000 10.737000 30.925000 68 " " A B 2 "ALA " " HA " 1 0 2 1 4354 2.48 + 4354 41 -15.325000 8.904000 31.910000 68 " " A B 2 "ALA " " HB1" 1 0 2 1 4355 25.94 + 4355 41 -14.625000 10.468000 32.297000 68 " " A B 2 "ALA " " HB2" 1 0 2 1 4356 25.94 + 4356 41 -15.537000 9.582000 33.518000 68 " " A B 2 "ALA " " HB3" 1 0 2 1 4357 25.94 + 4357 25 -18.175000 8.661000 31.304000 69 " " S B 2 "SER " " N " 7 0 2 1 4358 13.42 + 4358 3 -19.111000 7.553000 31.430000 69 " " S B 2 "SER " " CA " 6 0 2 1 4359 13.42 + 4359 2 -18.624000 6.381000 30.570000 69 " " S B 2 "SER " " C " 6 0 2 1 4360 13.42 + 4360 15 -18.703000 6.438000 29.341000 69 " " S B 2 "SER " " O " 8 0 2 1 4361 33.04 + 4361 3 -20.569000 7.998000 31.161000 69 " " S B 2 "SER " " CB " 6 0 2 1 4362 33.04 + 4362 16 -20.798000 8.382000 29.820000 69 " " S B 2 "SER " " OG " 8 0 2 1 4363 33.04 + 4363 43 -17.598000 8.657000 30.475000 69 " " S B 2 "SER " " H " 1 0 2 1 4364 13.42 + 4364 41 -19.069000 7.234000 32.470000 69 " " S B 2 "SER " " HA " 1 0 2 1 4365 13.42 + 4365 41 -20.849000 8.825000 31.814000 69 " " S B 2 "SER " " HB3" 1 0 2 1 4366 33.04 + 4366 41 -21.250000 7.179000 31.397000 69 " " S B 2 "SER " " HB2" 1 0 2 1 4367 33.04 + 4367 42 -20.614000 7.628000 29.254000 69 " " S B 2 "SER " " HG " 1 0 2 1 4368 33.04 + 4368 25 -18.113000 5.340000 31.246000 70 " " I B 2 "ILE " " N " 7 0 0 1 4369 2.48 + 4369 3 -17.681000 4.092000 30.626000 70 " " I B 2 "ILE " " CA " 6 0 0 1 4370 2.48 + 4370 2 -18.920000 3.197000 30.431000 70 " " I B 2 "ILE " " C " 6 0 0 1 4371 2.48 + 4371 15 -19.597000 2.880000 31.410000 70 " " I B 2 "ILE " " O " 8 0 0 1 4372 2.48 + 4372 3 -16.610000 3.334000 31.479000 70 " " I B 2 "ILE " " CB " 6 0 0 1 4373 2.48 + 4373 3 -15.285000 4.125000 31.617000 70 " " I B 2 "ILE " " CG1" 6 0 0 1 4374 2.48 + 4374 3 -16.251000 1.942000 30.915000 70 " " I B 2 "ILE " " CG2" 6 0 0 1 4375 2.48 + 4375 3 -15.328000 5.348000 32.542000 70 " " I B 2 "ILE " " CD1" 6 0 0 1 4376 2.48 + 4376 43 -18.071000 5.374000 32.255000 70 " " I B 2 "ILE " " H " 1 0 0 1 4377 2.48 + 4377 41 -17.246000 4.324000 29.656000 70 " " I B 2 "ILE " " HA " 1 0 0 1 4378 2.48 + 4378 41 -17.016000 3.174000 32.479000 70 " " I B 2 "ILE " " HB " 1 0 0 1 4379 2.48 + 4379 41 -14.936000 4.427000 30.628000 70 " " I B 2 "ILE " "HG13" 1 0 0 1 4380 2.48 + 4380 41 -14.512000 3.464000 32.011000 70 " " I B 2 "ILE " "HG12" 1 0 0 1 4381 2.48 + 4381 41 -15.568000 1.424000 31.589000 70 " " I B 2 "ILE " "HG21" 1 0 0 1 4382 2.48 + 4382 41 -17.117000 1.298000 30.778000 70 " " I B 2 "ILE " "HG22" 1 0 0 1 4383 2.48 + 4383 41 -15.747000 2.014000 29.954000 70 " " I B 2 "ILE " "HG23" 1 0 0 1 4384 2.48 + 4384 41 -14.472000 5.357000 33.216000 70 " " I B 2 "ILE " "HD11" 1 0 0 1 4385 2.48 + 4385 41 -15.327000 6.279000 31.978000 70 " " I B 2 "ILE " "HD12" 1 0 0 1 4386 2.48 + 4386 41 -16.219000 5.360000 33.155000 70 " " I B 2 "ILE " "HD13" 1 0 0 1 4387 2.48 + 4387 25 -19.180000 2.816000 29.173000 71 " " T B 2 "THR " " N " 7 0 0 1 4388 9.67 + 4388 3 -20.241000 1.884000 28.784000 71 " " T B 2 "THR " " CA " 6 0 0 1 4389 9.67 + 4389 2 -19.610000 0.694000 28.037000 71 " " T B 2 "THR " " C " 6 0 0 1 4390 9.67 + 4390 15 -18.436000 0.756000 27.676000 71 " " T B 2 "THR " " O " 8 0 0 1 4391 28.63 + 4391 3 -21.325000 2.574000 27.895000 71 " " T B 2 "THR " " CB " 6 0 0 1 4392 28.63 + 4392 16 -20.998000 2.691000 26.520000 71 " " T B 2 "THR " " OG1" 8 0 0 1 4393 28.63 + 4393 3 -21.789000 3.941000 28.424000 71 " " T B 2 "THR " " CG2" 6 0 0 1 4394 28.63 + 4394 43 -18.567000 3.116000 28.428000 71 " " T B 2 "THR " " H " 1 0 0 1 4395 9.67 + 4395 41 -20.733000 1.478000 29.669000 71 " " T B 2 "THR " " HA " 1 0 0 1 4396 9.67 + 4396 41 -22.202000 1.925000 27.919000 71 " " T B 2 "THR " " HB " 1 0 0 1 4397 28.63 + 4397 42 -20.909000 1.808000 26.151000 71 " " T B 2 "THR " " HG1" 1 0 0 1 4398 28.63 + 4398 41 -22.627000 4.324000 27.841000 71 " " T B 2 "THR " "HG21" 1 0 0 1 4399 28.63 + 4399 41 -22.115000 3.868000 29.462000 71 " " T B 2 "THR " "HG22" 1 0 0 1 4400 28.63 + 4400 41 -20.992000 4.684000 28.377000 71 " " T B 2 "THR " "HG23" 1 0 0 1 4401 28.63 + 4401 25 -20.383000 -0.383000 27.834000 72 " " A B 2 "ALA " " N " 7 0 2 1 4402 2.48 + 4402 3 -19.917000 -1.561000 27.109000 72 " " A B 2 "ALA " " CA " 6 0 2 1 4403 2.48 + 4403 2 -21.073000 -2.244000 26.379000 72 " " A B 2 "ALA " " C " 6 0 2 1 4404 2.48 + 4404 15 -22.142000 -2.441000 26.958000 72 " " A B 2 "ALA " " O " 8 0 2 1 4405 22.46 + 4405 3 -19.186000 -2.532000 28.053000 72 " " A B 2 "ALA " " CB " 6 0 2 1 4406 22.46 + 4406 43 -21.339000 -0.408000 28.160000 72 " " A B 2 "ALA " " H " 1 0 2 1 4407 2.48 + 4407 41 -19.206000 -1.236000 26.349000 72 " " A B 2 "ALA " " HA " 1 0 2 1 4408 2.48 + 4408 41 -18.899000 -3.445000 27.532000 72 " " A B 2 "ALA " " HB1" 1 0 2 1 4409 22.46 + 4409 41 -18.271000 -2.089000 28.447000 72 " " A B 2 "ALA " " HB2" 1 0 2 1 4410 22.46 + 4410 41 -19.811000 -2.819000 28.900000 72 " " A B 2 "ALA " " HB3" 1 0 2 1 4411 22.46 + 4411 25 -20.795000 -2.616000 25.124000 73 " " D B 2 "ASP " " N " 7 0 2 1 4412 11.31 + 4412 3 -21.645000 -3.403000 24.246000 73 " " D B 2 "ASP " " CA " 6 0 2 1 4413 11.31 + 4413 2 -21.003000 -4.796000 24.211000 73 " " D B 2 "ASP " " C " 6 0 2 1 4414 11.31 + 4414 15 -20.012000 -4.992000 23.508000 73 " " D B 2 "ASP " " O " 8 0 2 1 4415 37.4 + 4415 3 -21.733000 -2.722000 22.857000 73 " " D B 2 "ASP " " CB " 6 0 2 1 4416 37.4 + 4416 2 -22.613000 -3.410000 21.807000 73 " " D B 2 "ASP " " CG " 6 0 2 1 4417 37.4 + 4417 15 -22.979000 -4.588000 21.999000 73 " " D B 2 "ASP " " OD1" 8 0 2 1 4418 37.4 + 4418 18 -22.838000 -2.753000 20.768000 73 " " D B 2 "ASP " " OD2" 8 -1 2 1 4419 37.4 + 4419 43 -19.869000 -2.424000 24.760000 73 " " D B 2 "ASP " " H " 1 0 2 1 4420 11.31 + 4420 41 -22.654000 -3.482000 24.657000 73 " " D B 2 "ASP " " HA " 1 0 2 1 4421 11.31 + 4421 41 -20.730000 -2.624000 22.442000 73 " " D B 2 "ASP " " HB3" 1 0 2 1 4422 37.4 + 4422 41 -22.131000 -1.718000 23.005000 73 " " D B 2 "ASP " " HB2" 1 0 2 1 4423 37.4 + 4423 25 -21.573000 -5.726000 24.993000 74 " " T B 2 "THR " " N " 7 0 0 1 4424 48.33 + 4424 3 -21.084000 -7.099000 25.126000 74 " " T B 2 "THR " " CA " 6 0 0 1 4425 48.33 + 4425 2 -21.360000 -7.984000 23.881000 74 " " T B 2 "THR " " C " 6 0 0 1 4426 48.33 + 4426 15 -20.747000 -9.045000 23.766000 74 " " T B 2 "THR " " O " 8 0 0 1 4427 27.34 + 4427 3 -21.656000 -7.763000 26.414000 74 " " T B 2 "THR " " CB " 6 0 0 1 4428 27.34 + 4428 16 -20.992000 -8.979000 26.701000 74 " " T B 2 "THR " " OG1" 8 0 0 1 4429 27.34 + 4429 3 -23.166000 -8.067000 26.373000 74 " " T B 2 "THR " " CG2" 6 0 0 1 4430 27.34 + 4430 43 -22.382000 -5.483000 25.547000 74 " " T B 2 "THR " " H " 1 0 0 1 4431 48.33 + 4431 41 -19.998000 -7.048000 25.239000 74 " " T B 2 "THR " " HA " 1 0 0 1 4432 48.33 + 4432 41 -21.463000 -7.098000 27.257000 74 " " T B 2 "THR " " HB " 1 0 0 1 4433 27.34 + 4433 42 -21.085000 -9.564000 25.943000 74 " " T B 2 "THR " " HG1" 1 0 0 1 4434 27.34 + 4434 41 -23.505000 -8.468000 27.329000 74 " " T B 2 "THR " "HG21" 1 0 0 1 4435 27.34 + 4435 41 -23.744000 -7.164000 26.177000 74 " " T B 2 "THR " "HG22" 1 0 0 1 4436 27.34 + 4436 41 -23.422000 -8.798000 25.605000 74 " " T B 2 "THR " "HG23" 1 0 0 1 4437 27.34 + 4437 25 -22.236000 -7.527000 22.963000 75 " " S B 2 "SER " " N " 7 0 0 1 4438 67.64 + 4438 3 -22.519000 -8.184000 21.683000 75 " " S B 2 "SER " " CA " 6 0 0 1 4439 67.64 + 4439 2 -21.367000 -7.957000 20.692000 75 " " S B 2 "SER " " C " 6 0 0 1 4440 67.64 + 4440 15 -20.790000 -8.930000 20.206000 75 " " S B 2 "SER " " O " 8 0 0 1 4441 51.21 + 4441 3 -23.845000 -7.668000 21.085000 75 " " S B 2 "SER " " CB " 6 0 0 1 4442 51.21 + 4442 16 -24.929000 -7.925000 21.952000 75 " " S B 2 "SER " " OG " 8 0 0 1 4443 51.21 + 4443 43 -22.698000 -6.639000 23.108000 75 " " S B 2 "SER " " H " 1 0 0 1 4444 67.64 + 4444 41 -22.617000 -9.258000 21.856000 75 " " S B 2 "SER " " HA " 1 0 0 1 4445 67.64 + 4445 41 -24.048000 -8.173000 20.140000 75 " " S B 2 "SER " " HB3" 1 0 0 1 4446 51.21 + 4446 41 -23.815000 -6.604000 20.862000 75 " " S B 2 "SER " " HB2" 1 0 0 1 4447 51.21 + 4447 42 -25.722000 -7.536000 21.574000 75 " " S B 2 "SER " " HG " 1 0 0 1 4448 51.21 + 4448 25 -21.032000 -6.676000 20.447000 76 " " S B 2 "SER " " N " 7 0 0 1 4449 10.35 + 4449 3 -19.902000 -6.254000 19.609000 76 " " S B 2 "SER " " CA " 6 0 0 1 4450 10.35 + 4450 2 -18.531000 -6.393000 20.299000 76 " " S B 2 "SER " " C " 6 0 0 1 4451 10.35 + 4451 15 -17.513000 -6.162000 19.643000 76 " " S B 2 "SER " " O " 8 0 0 1 4452 23.47 + 4452 3 -20.150000 -4.822000 19.088000 76 " " S B 2 "SER " " CB " 6 0 0 1 4453 23.47 + 4453 16 -19.945000 -3.830000 20.074000 76 " " S B 2 "SER " " OG " 8 0 0 1 4454 23.47 + 4454 43 -21.555000 -5.933000 20.895000 76 " " S B 2 "SER " " H " 1 0 0 1 4455 10.35 + 4455 41 -19.882000 -6.911000 18.737000 76 " " S B 2 "SER " " HA " 1 0 0 1 4456 10.35 + 4456 41 -21.162000 -4.726000 18.691000 76 " " S B 2 "SER " " HB3" 1 0 0 1 4457 23.47 + 4457 41 -19.473000 -4.608000 18.260000 76 " " S B 2 "SER " " HB2" 1 0 0 1 4458 23.47 + 4458 42 -20.799000 -3.612000 20.462000 76 " " S B 2 "SER " " HG " 1 0 0 1 4459 23.47 + 4459 25 -18.532000 -6.758000 21.595000 77 " " N B 2 "ASN " " N " 7 0 0 1 4460 2.48 + 4460 3 -17.365000 -6.985000 22.446000 77 " " N B 2 "ASN " " CA " 6 0 0 1 4461 2.48 + 4461 2 -16.487000 -5.722000 22.552000 77 " " N B 2 "ASN " " C " 6 0 0 1 4462 2.48 + 4462 15 -15.275000 -5.791000 22.363000 77 " " N B 2 "ASN " " O " 8 0 0 1 4463 29.4 + 4463 3 -16.594000 -8.226000 21.931000 77 " " N B 2 "ASN " " CB " 6 0 0 1 4464 29.4 + 4464 2 -15.842000 -8.993000 23.014000 77 " " N B 2 "ASN " " CG " 6 0 0 1 4465 29.4 + 4465 15 -16.369000 -9.270000 24.088000 77 " " N B 2 "ASN " " OD1" 8 0 0 1 4466 29.4 + 4466 25 -14.604000 -9.366000 22.703000 77 " " N B 2 "ASN " " ND2" 7 0 0 1 4467 29.4 + 4467 43 -19.425000 -6.901000 22.045000 77 " " N B 2 "ASN " " H " 1 0 0 1 4468 2.48 + 4468 41 -17.705000 -7.152000 23.470000 77 " " N B 2 "ASN " " HA " 1 0 0 1 4469 2.48 + 4469 41 -15.949000 -7.981000 21.085000 77 " " N B 2 "ASN " " HB3" 1 0 0 1 4470 29.4 + 4470 41 -17.314000 -8.950000 21.546000 77 " " N B 2 "ASN " " HB2" 1 0 0 1 4471 29.4 + 4471 43 -14.056000 -9.930000 23.343000 77 " " N B 2 "ASN " "HD22" 1 0 0 1 4472 29.4 + 4472 43 -14.202000 -9.104000 21.814000 77 " " N B 2 "ASN " "HD21" 1 0 0 1 4473 29.4 + 4473 25 -17.140000 -4.576000 22.797000 78 " " T B 2 "THR " " N " 7 0 2 1 4474 39.24 + 4474 3 -16.516000 -3.260000 22.767000 78 " " T B 2 "THR " " CA " 6 0 2 1 4475 39.24 + 4475 2 -16.834000 -2.502000 24.060000 78 " " T B 2 "THR " " C " 6 0 2 1 4476 39.24 + 4476 15 -18.005000 -2.335000 24.393000 78 " " T B 2 "THR " " O " 8 0 2 1 4477 23.41 + 4477 3 -17.033000 -2.424000 21.564000 78 " " T B 2 "THR " " CB " 6 0 2 1 4478 23.41 + 4478 16 -16.727000 -3.100000 20.360000 78 " " T B 2 "THR " " OG1" 8 0 2 1 4479 23.41 + 4479 3 -16.438000 -1.010000 21.443000 78 " " T B 2 "THR " " CG2" 6 0 2 1 4480 23.41 + 4480 43 -18.141000 -4.594000 22.952000 78 " " T B 2 "THR " " H " 1 0 2 1 4481 39.24 + 4481 41 -15.434000 -3.354000 22.685000 78 " " T B 2 "THR " " HA " 1 0 2 1 4482 39.24 + 4482 41 -18.120000 -2.339000 21.617000 78 " " T B 2 "THR " " HB " 1 0 2 1 4483 23.41 + 4483 42 -17.217000 -3.927000 20.343000 78 " " T B 2 "THR " " HG1" 1 0 2 1 4484 23.41 + 4484 41 -16.784000 -0.519000 20.534000 78 " " T B 2 "THR " "HG21" 1 0 2 1 4485 23.41 + 4485 41 -16.723000 -0.372000 22.278000 78 " " T B 2 "THR " "HG22" 1 0 2 1 4486 23.41 + 4486 41 -15.351000 -1.040000 21.402000 78 " " T B 2 "THR " "HG23" 1 0 2 1 4487 23.41 + 4487 25 -15.773000 -2.024000 24.727000 79 " " A B 2 "ALA " " N " 7 0 2 1 4488 12.79 + 4488 3 -15.847000 -1.037000 25.800000 79 " " A B 2 "ALA " " CA " 6 0 2 1 4489 12.79 + 4489 2 -15.749000 0.371000 25.197000 79 " " A B 2 "ALA " " C " 6 0 2 1 4490 12.79 + 4490 15 -15.119000 0.556000 24.156000 79 " " A B 2 "ALA " " O " 8 0 2 1 4491 8.63 + 4491 3 -14.701000 -1.286000 26.791000 79 " " A B 2 "ALA " " CB " 6 0 2 1 4492 8.63 + 4492 43 -14.845000 -2.206000 24.367000 79 " " A B 2 "ALA " " H " 1 0 2 1 4493 12.79 + 4493 41 -16.793000 -1.135000 26.335000 79 " " A B 2 "ALA " " HA " 1 0 2 1 4494 12.79 + 4494 41 -14.724000 -0.570000 27.613000 79 " " A B 2 "ALA " " HB1" 1 0 2 1 4495 8.63 + 4495 41 -14.775000 -2.283000 27.226000 79 " " A B 2 "ALA " " HB2" 1 0 2 1 4496 8.63 + 4496 41 -13.725000 -1.209000 26.309000 79 " " A B 2 "ALA " " HB3" 1 0 2 1 4497 8.63 + 4497 25 -16.378000 1.339000 25.868000 80 " " Y B 2 "TYR " " N " 7 0 2 1 4498 2.48 + 4498 3 -16.435000 2.738000 25.462000 80 " " Y B 2 "TYR " " CA " 6 0 2 1 4499 2.48 + 4499 2 -16.057000 3.636000 26.636000 80 " " Y B 2 "TYR " " C " 6 0 2 1 4500 2.48 + 4500 15 -16.071000 3.200000 27.785000 80 " " Y B 2 "TYR " " O " 8 0 2 1 4501 20.73 + 4501 3 -17.857000 3.085000 24.986000 80 " " Y B 2 "TYR " " CB " 6 0 2 1 4502 20.73 + 4502 2 -18.326000 2.316000 23.769000 80 " " Y B 2 "TYR " " CG " 6 0 2 1 4503 20.73 + 4503 2 -19.071000 1.130000 23.925000 80 " " Y B 2 "TYR " " CD1" 6 0 2 1 4504 20.73 + 4504 2 -18.016000 2.786000 22.476000 80 " " Y B 2 "TYR " " CD2" 6 0 2 1 4505 20.73 + 4505 2 -19.510000 0.421000 22.793000 80 " " Y B 2 "TYR " " CE1" 6 0 2 1 4506 20.73 + 4506 2 -18.467000 2.082000 21.344000 80 " " Y B 2 "TYR " " CE2" 6 0 2 1 4507 20.73 + 4507 2 -19.214000 0.899000 21.501000 80 " " Y B 2 "TYR " " CZ " 6 0 2 1 4508 20.73 + 4508 16 -19.634000 0.208000 20.402000 80 " " Y B 2 "TYR " " OH " 8 0 2 1 4509 20.73 + 4509 43 -16.890000 1.111000 26.713000 80 " " Y B 2 "TYR " " H " 1 0 2 1 4510 2.48 + 4510 41 -15.724000 2.926000 24.658000 80 " " Y B 2 "TYR " " HA " 1 0 2 1 4511 2.48 + 4511 41 -17.924000 4.147000 24.745000 80 " " Y B 2 "TYR " " HB3" 1 0 2 1 4512 20.73 + 4512 41 -18.560000 2.924000 25.801000 80 " " Y B 2 "TYR " " HB2" 1 0 2 1 4513 20.73 + 4513 41 -19.301000 0.755000 24.911000 80 " " Y B 2 "TYR " " HD1" 1 0 2 1 4514 20.73 + 4514 41 -17.433000 3.686000 22.348000 80 " " Y B 2 "TYR " " HD2" 1 0 2 1 4515 20.73 + 4515 41 -20.071000 -0.490000 22.923000 80 " " Y B 2 "TYR " " HE1" 1 0 2 1 4516 20.73 + 4516 41 -18.231000 2.445000 20.354000 80 " " Y B 2 "TYR " " HE2" 1 0 2 1 4517 20.73 + 4517 42 -20.134000 -0.585000 20.613000 80 " " Y B 2 "TYR " " HH " 1 0 2 1 4518 20.73 + 4518 25 -15.754000 4.893000 26.304000 81 " " L B 2 "LEU " " N " 7 0 2 1 4519 24.97 + 4519 3 -15.456000 5.956000 27.246000 81 " " L B 2 "LEU " " CA " 6 0 2 1 4520 24.97 + 4520 2 -15.935000 7.246000 26.595000 81 " " L B 2 "LEU " " C " 6 0 2 1 4521 24.97 + 4521 15 -15.357000 7.666000 25.592000 81 " " L B 2 "LEU " " O " 8 0 2 1 4522 13.07 + 4522 3 -13.952000 5.914000 27.599000 81 " " L B 2 "LEU " " CB " 6 0 2 1 4523 13.07 + 4523 3 -13.317000 7.083000 28.385000 81 " " L B 2 "LEU " " CG " 6 0 2 1 4524 13.07 + 4524 3 -12.984000 8.297000 27.507000 81 " " L B 2 "LEU " " CD1" 6 0 2 1 4525 13.07 + 4525 3 -14.095000 7.471000 29.650000 81 " " L B 2 "LEU " " CD2" 6 0 2 1 4526 13.07 + 4526 43 -15.742000 5.160000 25.327000 81 " " L B 2 "LEU " " H " 1 0 2 1 4527 24.97 + 4527 41 -16.036000 5.795000 28.157000 81 " " L B 2 "LEU " " HA " 1 0 2 1 4528 24.97 + 4528 41 -13.365000 5.737000 26.698000 81 " " L B 2 "LEU " " HB3" 1 0 2 1 4529 13.07 + 4529 41 -13.830000 5.028000 28.217000 81 " " L B 2 "LEU " " HB2" 1 0 2 1 4530 13.07 + 4530 41 -12.348000 6.711000 28.724000 81 " " L B 2 "LEU " " HG " 1 0 2 1 4531 13.07 + 4531 41 -12.060000 8.778000 27.828000 81 " " L B 2 "LEU " "HD11" 1 0 2 1 4532 13.07 + 4532 41 -12.861000 8.023000 26.460000 81 " " L B 2 "LEU " "HD12" 1 0 2 1 4533 13.07 + 4533 41 -13.783000 9.033000 27.562000 81 " " L B 2 "LEU " "HD13" 1 0 2 1 4534 13.07 + 4534 41 -13.923000 8.512000 29.924000 81 " " L B 2 "LEU " "HD21" 1 0 2 1 4535 13.07 + 4535 41 -15.171000 7.336000 29.558000 81 " " L B 2 "LEU " "HD22" 1 0 2 1 4536 13.07 + 4536 41 -13.762000 6.855000 30.482000 81 " " L B 2 "LEU " "HD23" 1 0 2 1 4537 13.07 + 4537 25 -17.003000 7.824000 27.164000 82 " " Q B 2 "GLN " " N " 7 0 2 1 4538 15.52 + 4538 3 -17.584000 9.062000 26.677000 82 " " Q B 2 "GLN " " CA " 6 0 2 1 4539 15.52 + 4539 2 -17.184000 10.210000 27.611000 82 " " Q B 2 "GLN " " C " 6 0 2 1 4540 15.52 + 4540 15 -17.697000 10.278000 28.725000 82 " " Q B 2 "GLN " " O " 8 0 2 1 4541 55.78 + 4541 3 -19.112000 8.914000 26.551000 82 " " Q B 2 "GLN " " CB " 6 0 2 1 4542 55.78 + 4542 3 -19.780000 10.123000 25.862000 82 " " Q B 2 "GLN " " CG " 6 0 2 1 4543 55.78 + 4543 2 -21.215000 10.327000 26.337000 82 " " Q B 2 "GLN " " CD " 6 0 2 1 4544 55.78 + 4544 15 -22.137000 9.695000 25.830000 82 " " Q B 2 "GLN " " OE1" 8 0 2 1 4545 55.78 + 4545 25 -21.402000 11.212000 27.319000 82 " " Q B 2 "GLN " " NE2" 7 0 2 1 4546 55.78 + 4546 43 -17.442000 7.405000 27.974000 82 " " Q B 2 "GLN " " H " 1 0 2 1 4547 15.52 + 4547 41 -17.208000 9.265000 25.685000 82 " " Q B 2 "GLN " " HA " 1 0 2 1 4548 15.52 + 4548 41 -19.531000 8.758000 27.545000 82 " " Q B 2 "GLN " " HB3" 1 0 2 1 4549 55.78 + 4549 41 -19.355000 8.012000 25.989000 82 " " Q B 2 "GLN " " HB2" 1 0 2 1 4550 55.78 + 4550 41 -19.763000 9.991000 24.780000 82 " " Q B 2 "GLN " " HG3" 1 0 2 1 4551 55.78 + 4551 41 -19.236000 11.047000 26.052000 82 " " Q B 2 "GLN " " HG2" 1 0 2 1 4552 55.78 + 4552 43 -22.331000 11.377000 27.678000 82 " " Q B 2 "GLN " "HE22" 1 0 2 1 4553 55.78 + 4553 43 -20.617000 11.697000 27.727000 82 " " Q B 2 "GLN " "HE21" 1 0 2 1 4554 55.78 + 4554 25 -16.327000 11.116000 27.112000 83 " " L B 2 "LEU " " N " 7 0 2 1 4555 18.67 + 4555 3 -16.074000 12.420000 27.730000 83 " " L B 2 "LEU " " CA " 6 0 2 1 4556 18.67 + 4556 2 -17.141000 13.426000 27.284000 83 " " L B 2 "LEU " " C " 6 0 2 1 4557 18.67 + 4557 15 -17.758000 13.234000 26.239000 83 " " L B 2 "LEU " " O " 8 0 2 1 4558 17.37 + 4558 3 -14.688000 12.953000 27.321000 83 " " L B 2 "LEU " " CB " 6 0 2 1 4559 17.37 + 4559 3 -13.498000 12.077000 27.741000 83 " " L B 2 "LEU " " CG " 6 0 2 1 4560 17.37 + 4560 3 -12.183000 12.726000 27.286000 83 " " L B 2 "LEU " " CD1" 6 0 2 1 4561 17.37 + 4561 3 -13.486000 11.752000 29.249000 83 " " L B 2 "LEU " " CD2" 6 0 2 1 4562 17.37 + 4562 43 -15.970000 10.993000 26.174000 83 " " L B 2 "LEU " " H " 1 0 2 1 4563 18.67 + 4563 41 -16.121000 12.325000 28.814000 83 " " L B 2 "LEU " " HA " 1 0 2 1 4564 18.67 + 4564 41 -14.548000 13.939000 27.765000 83 " " L B 2 "LEU " " HB3" 1 0 2 1 4565 17.37 + 4565 41 -14.660000 13.099000 26.240000 83 " " L B 2 "LEU " " HB2" 1 0 2 1 4566 17.37 + 4566 41 -13.580000 11.144000 27.189000 83 " " L B 2 "LEU " " HG " 1 0 2 1 4567 17.37 + 4567 41 -11.545000 11.994000 26.793000 83 " " L B 2 "LEU " "HD11" 1 0 2 1 4568 17.37 + 4568 41 -12.344000 13.536000 26.577000 83 " " L B 2 "LEU " "HD12" 1 0 2 1 4569 17.37 + 4569 41 -11.636000 13.153000 28.125000 83 " " L B 2 "LEU " "HD13" 1 0 2 1 4570 17.37 + 4570 41 -12.473000 11.661000 29.643000 83 " " L B 2 "LEU " "HD21" 1 0 2 1 4571 17.37 + 4571 41 -13.994000 12.518000 29.835000 83 " " L B 2 "LEU " "HD22" 1 0 2 1 4572 17.37 + 4572 41 -13.991000 10.806000 29.442000 83 " " L B 2 "LEU " "HD23" 1 0 2 1 4573 17.37 + 4573 25 -17.315000 14.496000 28.070000 84 " " S B 2 "SER " " N " 7 0 0 1 4574 6.53 + 4574 3 -18.323000 15.529000 27.838000 84 " " S B 2 "SER " " CA " 6 0 0 1 4575 6.53 + 4575 2 -17.895000 16.861000 28.469000 84 " " S B 2 "SER " " C " 6 0 0 1 4576 6.53 + 4576 15 -16.985000 16.878000 29.298000 84 " " S B 2 "SER " " O " 8 0 0 1 4577 8.5 + 4577 3 -19.693000 15.012000 28.331000 84 " " S B 2 "SER " " CB " 6 0 0 1 4578 8.5 + 4578 16 -19.695000 14.774000 29.724000 84 " " S B 2 "SER " " OG " 8 0 0 1 4579 8.5 + 4579 43 -16.763000 14.603000 28.910000 84 " " S B 2 "SER " " H " 1 0 0 1 4580 6.53 + 4580 41 -18.389000 15.712000 26.764000 84 " " S B 2 "SER " " HA " 1 0 0 1 4581 6.53 + 4581 41 -19.972000 14.093000 27.814000 84 " " S B 2 "SER " " HB3" 1 0 0 1 4582 8.5 + 4582 41 -20.474000 15.738000 28.105000 84 " " S B 2 "SER " " HB2" 1 0 0 1 4583 8.5 + 4583 42 -19.078000 14.062000 29.919000 84 " " S B 2 "SER " " HG " 1 0 0 1 4584 8.5 + 4584 25 -18.534000 17.963000 28.030000 85 " " S B 2 "SER " " N " 7 0 0 1 4585 5.99 + 4585 3 -18.245000 19.351000 28.428000 85 " " S B 2 "SER " " CA " 6 0 0 1 4586 5.99 + 4586 2 -16.769000 19.725000 28.166000 85 " " S B 2 "SER " " C " 6 0 0 1 4587 5.99 + 4587 15 -16.111000 20.274000 29.052000 85 " " S B 2 "SER " " O " 8 0 0 1 4588 78.47 + 4588 3 -18.658000 19.587000 29.904000 85 " " S B 2 "SER " " CB " 6 0 0 1 4589 78.47 + 4589 16 -20.051000 19.427000 30.066000 85 " " S B 2 "SER " " OG " 8 0 0 1 4590 78.47 + 4590 43 -19.265000 17.860000 27.340000 85 " " S B 2 "SER " " H " 1 0 0 1 4591 5.99 + 4591 41 -18.846000 20.001000 27.790000 85 " " S B 2 "SER " " HA " 1 0 0 1 4592 5.99 + 4592 41 -18.413000 20.603000 30.216000 85 " " S B 2 "SER " " HB3" 1 0 0 1 4593 78.47 + 4593 41 -18.138000 18.914000 30.587000 85 " " S B 2 "SER " " HB2" 1 0 0 1 4594 78.47 + 4594 42 -20.261000 18.493000 29.992000 85 " " S B 2 "SER " " HG " 1 0 0 1 4595 78.47 + 4595 25 -16.258000 19.318000 26.989000 86 " " L B 2 "LEU " " N " 7 0 0 1 4596 15.59 + 4596 3 -14.830000 19.263000 26.674000 86 " " L B 2 "LEU " " CA " 6 0 0 1 4597 15.59 + 4597 2 -14.122000 20.622000 26.742000 86 " " L B 2 "LEU " " C " 6 0 0 1 4598 15.59 + 4598 15 -14.610000 21.609000 26.195000 86 " " L B 2 "LEU " " O " 8 0 0 1 4599 8.96 + 4599 3 -14.616000 18.617000 25.288000 86 " " L B 2 "LEU " " CB " 6 0 0 1 4600 8.96 + 4600 3 -14.796000 17.082000 25.253000 86 " " L B 2 "LEU " " CG " 6 0 0 1 4601 8.96 + 4601 3 -14.704000 16.569000 23.803000 86 " " L B 2 "LEU " " CD1" 6 0 0 1 4602 8.96 + 4602 3 -13.797000 16.349000 26.159000 86 " " L B 2 "LEU " " CD2" 6 0 0 1 4603 8.96 + 4603 43 -16.868000 18.877000 26.315000 86 " " L B 2 "LEU " " H " 1 0 0 1 4604 15.59 + 4604 41 -14.381000 18.622000 27.432000 86 " " L B 2 "LEU " " HA " 1 0 0 1 4605 15.59 + 4605 41 -13.610000 18.835000 24.931000 86 " " L B 2 "LEU " " HB3" 1 0 0 1 4606 8.96 + 4606 41 -15.288000 19.091000 24.569000 86 " " L B 2 "LEU " " HB2" 1 0 0 1 4607 8.96 + 4607 41 -15.793000 16.844000 25.623000 86 " " L B 2 "LEU " " HG " 1 0 0 1 4608 8.96 + 4608 41 -13.816000 15.963000 23.623000 86 " " L B 2 "LEU " "HD11" 1 0 0 1 4609 8.96 + 4609 41 -15.573000 15.959000 23.555000 86 " " L B 2 "LEU " "HD12" 1 0 0 1 4610 8.96 + 4610 41 -14.671000 17.390000 23.088000 86 " " L B 2 "LEU " "HD13" 1 0 0 1 4611 8.96 + 4611 41 -13.507000 15.378000 25.759000 86 " " L B 2 "LEU " "HD21" 1 0 0 1 4612 8.96 + 4612 41 -12.889000 16.933000 26.278000 86 " " L B 2 "LEU " "HD22" 1 0 0 1 4613 8.96 + 4613 41 -14.218000 16.181000 27.150000 86 " " L B 2 "LEU " "HD23" 1 0 0 1 4614 8.96 + 4614 25 -12.955000 20.608000 27.390000 87 " " T B 2 "THR " " N " 7 0 0 1 4615 2.48 + 4615 3 -12.002000 21.710000 27.436000 87 " " T B 2 "THR " " CA " 6 0 0 1 4616 2.48 + 4616 2 -10.636000 21.175000 26.967000 87 " " T B 2 "THR " " C " 6 0 0 1 4617 2.48 + 4617 15 -10.455000 19.962000 26.836000 87 " " T B 2 "THR " " O " 8 0 0 1 4618 28.17 + 4618 3 -11.874000 22.278000 28.879000 87 " " T B 2 "THR " " CB " 6 0 0 1 4619 28.17 + 4619 16 -11.272000 21.363000 29.777000 87 " " T B 2 "THR " " OG1" 8 0 0 1 4620 28.17 + 4620 3 -13.209000 22.761000 29.470000 87 " " T B 2 "THR " " CG2" 6 0 0 1 4621 28.17 + 4621 43 -12.621000 19.734000 27.781000 87 " " T B 2 "THR " " H " 1 0 0 1 4622 2.48 + 4622 41 -12.299000 22.511000 26.756000 87 " " T B 2 "THR " " HA " 1 0 0 1 4623 2.48 + 4623 41 -11.212000 23.145000 28.842000 87 " " T B 2 "THR " " HB " 1 0 0 1 4624 28.17 + 4624 42 -11.863000 20.617000 29.901000 87 " " T B 2 "THR " " HG1" 1 0 0 1 4625 28.17 + 4625 41 -13.058000 23.234000 30.440000 87 " " T B 2 "THR " "HG21" 1 0 0 1 4626 28.17 + 4626 41 -13.683000 23.493000 28.816000 87 " " T B 2 "THR " "HG22" 1 0 0 1 4627 28.17 + 4627 41 -13.911000 21.938000 29.611000 87 " " T B 2 "THR " "HG23" 1 0 0 1 4628 28.17 + 4628 25 -9.687000 22.094000 26.723000 88 " " S B 2 "SER " " N " 7 0 0 1 4629 31.34 + 4629 3 -8.302000 21.800000 26.331000 88 " " S B 2 "SER " " CA " 6 0 0 1 4630 31.34 + 4630 2 -7.537000 20.864000 27.295000 88 " " S B 2 "SER " " C " 6 0 0 1 4631 31.34 + 4631 15 -6.612000 20.185000 26.857000 88 " " S B 2 "SER " " O " 8 0 0 1 4632 42.66 + 4632 3 -7.565000 23.136000 26.115000 88 " " S B 2 "SER " " CB " 6 0 0 1 4633 42.66 + 4633 16 -7.399000 23.848000 27.328000 88 " " S B 2 "SER " " OG " 8 0 0 1 4634 42.66 + 4634 43 -9.898000 23.073000 26.858000 88 " " S B 2 "SER " " H " 1 0 0 1 4635 31.34 + 4635 41 -8.351000 21.291000 25.367000 88 " " S B 2 "SER " " HA " 1 0 0 1 4636 31.34 + 4636 41 -8.104000 23.761000 25.402000 88 " " S B 2 "SER " " HB3" 1 0 0 1 4637 42.66 + 4637 41 -6.578000 22.954000 25.685000 88 " " S B 2 "SER " " HB2" 1 0 0 1 4638 42.66 + 4638 42 -6.905000 24.652000 27.147000 88 " " S B 2 "SER " " HG " 1 0 0 1 4639 42.66 + 4639 25 -7.975000 20.807000 28.564000 89 " " E B 2 "GLU " " N " 7 0 0 1 4640 19.98 + 4640 3 -7.473000 19.938000 29.630000 89 " " E B 2 "GLU " " CA " 6 0 0 1 4641 19.98 + 4641 2 -7.744000 18.429000 29.395000 89 " " E B 2 "GLU " " C " 6 0 0 1 4642 19.98 + 4642 15 -7.113000 17.593000 30.044000 89 " " E B 2 "GLU " " O " 8 0 0 1 4643 84.96 + 4643 3 -8.093000 20.462000 30.943000 89 " " E B 2 "GLU " " CB " 6 0 0 1 4644 84.96 + 4644 3 -7.421000 19.939000 32.223000 89 " " E B 2 "GLU " " CG " 6 0 0 1 4645 84.96 + 4645 2 -8.027000 20.479000 33.520000 89 " " E B 2 "GLU " " CD " 6 0 0 1 4646 84.96 + 4646 15 -8.868000 21.403000 33.453000 89 " " E B 2 "GLU " " OE1" 8 0 0 1 4647 84.96 + 4647 18 -7.632000 19.933000 34.573000 89 " " E B 2 "GLU " " OE2" 8 -1 0 1 4648 84.96 + 4648 43 -8.753000 21.396000 28.827000 89 " " E B 2 "GLU " " H " 1 0 0 1 4649 19.98 + 4649 41 -6.391000 20.077000 29.676000 89 " " E B 2 "GLU " " HA " 1 0 0 1 4650 19.98 + 4650 41 -9.151000 20.196000 30.970000 89 " " E B 2 "GLU " " HB3" 1 0 0 1 4651 84.96 + 4651 41 -8.059000 21.553000 30.948000 89 " " E B 2 "GLU " " HB2" 1 0 0 1 4652 84.96 + 4652 41 -6.357000 20.180000 32.213000 89 " " E B 2 "GLU " " HG3" 1 0 0 1 4653 84.96 + 4653 41 -7.508000 18.856000 32.267000 89 " " E B 2 "GLU " " HG2" 1 0 0 1 4654 84.96 + 4654 25 -8.650000 18.104000 28.458000 90 " " D B 2 "ASP " " N " 7 0 0 1 4655 31.33 + 4655 3 -8.986000 16.746000 28.012000 90 " " D B 2 "ASP " " CA " 6 0 0 1 4656 31.33 + 4656 2 -8.139000 16.260000 26.827000 90 " " D B 2 "ASP " " C " 6 0 0 1 4657 31.33 + 4657 15 -8.240000 15.079000 26.492000 90 " " D B 2 "ASP " " O " 8 0 0 1 4658 57.27 + 4658 3 -10.484000 16.604000 27.688000 90 " " D B 2 "ASP " " CB " 6 0 0 1 4659 57.27 + 4659 2 -11.370000 17.043000 28.850000 90 " " D B 2 "ASP " " CG " 6 0 0 1 4660 57.27 + 4660 15 -11.211000 16.433000 29.930000 90 " " D B 2 "ASP " " OD1" 8 0 0 1 4661 57.27 + 4661 18 -12.213000 17.942000 28.638000 90 " " D B 2 "ASP " " OD2" 8 -1 0 1 4662 57.27 + 4662 43 -9.143000 18.849000 27.981000 90 " " D B 2 "ASP " " H " 1 0 0 1 4663 31.33 + 4663 41 -8.768000 16.054000 28.826000 90 " " D B 2 "ASP " " HA " 1 0 0 1 4664 31.33 + 4664 41 -10.754000 15.584000 27.410000 90 " " D B 2 "ASP " " HB3" 1 0 0 1 4665 57.27 + 4665 41 -10.712000 17.221000 26.822000 90 " " D B 2 "ASP " " HB2" 1 0 0 1 4666 57.27 + 4666 25 -7.310000 17.142000 26.235000 91 " " T B 2 "THR " " N " 7 0 0 1 4667 19.93 + 4667 3 -6.335000 16.789000 25.201000 91 " " T B 2 "THR " " CA " 6 0 0 1 4668 19.93 + 4668 2 -5.234000 15.900000 25.807000 91 " " T B 2 "THR " " C " 6 0 0 1 4669 19.93 + 4669 15 -4.415000 16.385000 26.586000 91 " " T B 2 "THR " " O " 8 0 0 1 4670 40.85 + 4670 3 -5.672000 18.042000 24.568000 91 " " T B 2 "THR " " CB " 6 0 0 1 4671 40.85 + 4671 16 -6.671000 18.820000 23.940000 91 " " T B 2 "THR " " OG1" 8 0 0 1 4672 40.85 + 4672 3 -4.553000 17.759000 23.545000 91 " " T B 2 "THR " " CG2" 6 0 0 1 4673 40.85 + 4673 43 -7.266000 18.090000 26.581000 91 " " T B 2 "THR " " H " 1 0 0 1 4674 19.93 + 4674 41 -6.867000 16.245000 24.421000 91 " " T B 2 "THR " " HA " 1 0 0 1 4675 19.93 + 4675 41 -5.240000 18.661000 25.354000 91 " " T B 2 "THR " " HB " 1 0 0 1 4676 40.85 + 4676 42 -7.230000 19.197000 24.624000 91 " " T B 2 "THR " " HG1" 1 0 0 1 4677 40.85 + 4677 41 -4.278000 18.665000 23.004000 91 " " T B 2 "THR " "HG21" 1 0 0 1 4678 40.85 + 4678 41 -3.648000 17.395000 24.031000 91 " " T B 2 "THR " "HG22" 1 0 0 1 4679 40.85 + 4679 41 -4.847000 17.011000 22.812000 91 " " T B 2 "THR " "HG23" 1 0 0 1 4680 40.85 + 4680 25 -5.297000 14.603000 25.482000 92 " " A B 2 "ALA " " N " 7 0 2 1 4681 9.89 + 4681 3 -4.549000 13.541000 26.143000 92 " " A B 2 "ALA " " CA " 6 0 2 1 4682 9.89 + 4682 2 -4.670000 12.240000 25.345000 92 " " A B 2 "ALA " " C " 6 0 2 1 4683 9.89 + 4683 15 -5.529000 12.127000 24.468000 92 " " A B 2 "ALA " " O " 8 0 2 1 4684 16.16 + 4684 3 -5.101000 13.350000 27.569000 92 " " A B 2 "ALA " " CB " 6 0 2 1 4685 16.16 + 4685 43 -5.975000 14.293000 24.798000 92 " " A B 2 "ALA " " H " 1 0 2 1 4686 9.89 + 4686 41 -3.493000 13.813000 26.187000 92 " " A B 2 "ALA " " HA " 1 0 2 1 4687 9.89 + 4687 41 -4.709000 12.451000 28.040000 92 " " A B 2 "ALA " " HB1" 1 0 2 1 4688 16.16 + 4688 41 -4.842000 14.188000 28.212000 92 " " A B 2 "ALA " " HB2" 1 0 2 1 4689 16.16 + 4689 41 -6.188000 13.262000 27.564000 92 " " A B 2 "ALA " " HB3" 1 0 2 1 4690 16.16 + 4690 25 -3.815000 11.268000 25.694000 93 " " V B 2 "VAL " " N " 7 0 2 1 4691 2.48 + 4691 3 -3.838000 9.929000 25.123000 93 " " V B 2 "VAL " " CA " 6 0 2 1 4692 2.48 + 4692 2 -4.612000 8.989000 26.062000 93 " " V B 2 "VAL " " C " 6 0 2 1 4693 2.48 + 4693 15 -4.237000 8.839000 27.225000 93 " " V B 2 "VAL " " O " 8 0 2 1 4694 36.57 + 4694 3 -2.413000 9.365000 24.893000 93 " " V B 2 "VAL " " CB " 6 0 2 1 4695 36.57 + 4695 3 -2.428000 7.934000 24.328000 93 " " V B 2 "VAL " " CG1" 6 0 2 1 4696 36.57 + 4696 3 -1.616000 10.268000 23.935000 93 " " V B 2 "VAL " " CG2" 6 0 2 1 4697 36.57 + 4697 43 -3.144000 11.427000 26.436000 93 " " V B 2 "VAL " " H " 1 0 2 1 4698 2.48 + 4698 41 -4.326000 9.962000 24.153000 93 " " V B 2 "VAL " " HA " 1 0 2 1 4699 2.48 + 4699 41 -1.879000 9.343000 25.846000 93 " " V B 2 "VAL " " HB " 1 0 2 1 4700 36.57 + 4700 41 -1.420000 7.591000 24.093000 93 " " V B 2 "VAL " "HG11" 1 0 2 1 4701 36.57 + 4701 41 -2.853000 7.209000 25.023000 93 " " V B 2 "VAL " "HG12" 1 0 2 1 4702 36.57 + 4702 41 -3.015000 7.903000 23.410000 93 " " V B 2 "VAL " "HG13" 1 0 2 1 4703 36.57 + 4703 41 -0.618000 9.869000 23.755000 93 " " V B 2 "VAL " "HG21" 1 0 2 1 4704 36.57 + 4704 41 -2.114000 10.359000 22.969000 93 " " V B 2 "VAL " "HG22" 1 0 2 1 4705 36.57 + 4705 41 -1.490000 11.272000 24.339000 93 " " V B 2 "VAL " "HG23" 1 0 2 1 4706 36.57 + 4706 25 -5.672000 8.375000 25.521000 94 " " Y B 2 "TYR " " N " 7 0 2 1 4707 2.48 + 4707 3 -6.557000 7.463000 26.235000 94 " " Y B 2 "TYR " " CA " 6 0 2 1 4708 2.48 + 4708 2 -6.216000 6.039000 25.819000 94 " " Y B 2 "TYR " " C " 6 0 2 1 4709 2.48 + 4709 15 -6.323000 5.709000 24.640000 94 " " Y B 2 "TYR " " O " 8 0 2 1 4710 16.49 + 4710 3 -8.028000 7.802000 25.917000 94 " " Y B 2 "TYR " " CB " 6 0 2 1 4711 16.49 + 4711 2 -8.439000 9.149000 26.478000 94 " " Y B 2 "TYR " " CG " 6 0 2 1 4712 16.49 + 4712 2 -8.062000 10.328000 25.804000 94 " " Y B 2 "TYR " " CD1" 6 0 2 1 4713 16.49 + 4713 2 -9.121000 9.232000 27.710000 94 " " Y B 2 "TYR " " CD2" 6 0 2 1 4714 16.49 + 4714 2 -8.285000 11.580000 26.399000 94 " " Y B 2 "TYR " " CE1" 6 0 2 1 4715 16.49 + 4715 2 -9.369000 10.491000 28.291000 94 " " Y B 2 "TYR " " CE2" 6 0 2 1 4716 16.49 + 4716 2 -8.921000 11.663000 27.650000 94 " " Y B 2 "TYR " " CZ " 6 0 2 1 4717 16.49 + 4717 16 -9.092000 12.883000 28.235000 94 " " Y B 2 "TYR " " OH " 8 0 2 1 4718 16.49 + 4718 43 -5.899000 8.547000 24.550000 94 " " Y B 2 "TYR " " H " 1 0 2 1 4719 2.48 + 4719 41 -6.420000 7.567000 27.313000 94 " " Y B 2 "TYR " " HA " 1 0 2 1 4720 2.48 + 4720 41 -8.685000 7.040000 26.338000 94 " " Y B 2 "TYR " " HB3" 1 0 2 1 4721 16.49 + 4721 41 -8.200000 7.792000 24.840000 94 " " Y B 2 "TYR " " HB2" 1 0 2 1 4722 16.49 + 4722 41 -7.549000 10.276000 24.855000 94 " " Y B 2 "TYR " " HD1" 1 0 2 1 4723 16.49 + 4723 41 -9.420000 8.335000 28.231000 94 " " Y B 2 "TYR " " HD2" 1 0 2 1 4724 16.49 + 4724 41 -7.943000 12.476000 25.906000 94 " " Y B 2 "TYR " " HE1" 1 0 2 1 4725 16.49 + 4725 41 -9.871000 10.554000 29.244000 94 " " Y B 2 "TYR " " HE2" 1 0 2 1 4726 16.49 + 4726 42 -8.811000 13.606000 27.664000 94 " " Y B 2 "TYR " " HH " 1 0 2 1 4727 16.49 + 4727 25 -5.832000 5.229000 26.809000 95 " " Y B 2 "TYR " " N " 7 0 2 1 4728 2.48 + 4728 3 -5.651000 3.792000 26.683000 95 " " Y B 2 "TYR " " CA " 6 0 2 1 4729 2.48 + 4729 2 -6.867000 3.123000 27.320000 95 " " Y B 2 "TYR " " C " 6 0 2 1 4730 2.48 + 4730 15 -7.339000 3.591000 28.356000 95 " " Y B 2 "TYR " " O " 8 0 2 1 4731 14.05 + 4731 3 -4.385000 3.341000 27.444000 95 " " Y B 2 "TYR " " CB " 6 0 2 1 4732 14.05 + 4732 2 -3.126000 4.123000 27.126000 95 " " Y B 2 "TYR " " CG " 6 0 2 1 4733 14.05 + 4733 2 -2.787000 5.250000 27.905000 95 " " Y B 2 "TYR " " CD1" 6 0 2 1 4734 14.05 + 4734 2 -2.298000 3.739000 26.052000 95 " " Y B 2 "TYR " " CD2" 6 0 2 1 4735 14.05 + 4735 2 -1.642000 6.004000 27.597000 95 " " Y B 2 "TYR " " CE1" 6 0 2 1 4736 14.05 + 4736 2 -1.146000 4.490000 25.749000 95 " " Y B 2 "TYR " " CE2" 6 0 2 1 4737 14.05 + 4737 2 -0.822000 5.626000 26.517000 95 " " Y B 2 "TYR " " CZ " 6 0 2 1 4738 14.05 + 4738 16 0.283000 6.364000 26.210000 95 " " Y B 2 "TYR " " OH " 8 0 2 1 4739 14.05 + 4739 43 -5.764000 5.596000 27.751000 95 " " Y B 2 "TYR " " H " 1 0 2 1 4740 2.48 + 4740 41 -5.563000 3.494000 25.636000 95 " " Y B 2 "TYR " " HA " 1 0 2 1 4741 2.48 + 4741 41 -4.205000 2.285000 27.238000 95 " " Y B 2 "TYR " " HB3" 1 0 2 1 4742 14.05 + 4742 41 -4.545000 3.410000 28.521000 95 " " Y B 2 "TYR " " HB2" 1 0 2 1 4743 14.05 + 4743 41 -3.408000 5.547000 28.737000 95 " " Y B 2 "TYR " " HD1" 1 0 2 1 4744 14.05 + 4744 41 -2.551000 2.878000 25.450000 95 " " Y B 2 "TYR " " HD2" 1 0 2 1 4745 14.05 + 4745 41 -1.399000 6.870000 28.193000 95 " " Y B 2 "TYR " " HE1" 1 0 2 1 4746 14.05 + 4746 41 -0.518000 4.200000 24.920000 95 " " Y B 2 "TYR " " HE2" 1 0 2 1 4747 14.05 + 4747 42 0.419000 7.104000 26.809000 95 " " Y B 2 "TYR " " HH " 1 0 2 1 4748 14.05 + 4748 25 -7.293000 2.001000 26.736000 96 " " C B 2 "CYS " " N " 7 0 2 1 4749 9.24 + 4749 3 -8.111000 1.018000 27.430000 96 " " C B 2 "CYS " " CA " 6 0 2 1 4750 9.24 + 4750 2 -7.215000 -0.166000 27.800000 96 " " C B 2 "CYS " " C " 6 0 2 1 4751 9.24 + 4751 15 -6.264000 -0.463000 27.074000 96 " " C B 2 "CYS " " O " 8 0 2 1 4752 9.44 + 4752 3 -9.295000 0.595000 26.553000 96 " " C B 2 "CYS " " CB " 6 0 2 1 4753 9.44 + 4753 49 -8.892000 -0.296000 25.028000 96 " " C B 2 "CYS " " SG " 16 0 2 1 4754 9.44 + 4754 43 -6.880000 1.697000 25.864000 96 " " C B 2 "CYS " " H " 1 0 2 1 4755 9.24 + 4755 41 -8.508000 1.449000 28.345000 96 " " C B 2 "CYS " " HA " 1 0 2 1 4756 9.24 + 4756 41 -9.892000 1.467000 26.290000 96 " " C B 2 "CYS " " HB3" 1 0 2 1 4757 9.44 + 4757 41 -9.950000 -0.047000 27.144000 96 " " C B 2 "CYS " " HB2" 1 0 2 1 4758 9.44 + 4758 25 -7.546000 -0.826000 28.915000 97 " " A B 2 "ALA " " N " 7 0 2 1 4759 15.82 + 4759 3 -6.822000 -1.999000 29.387000 97 " " A B 2 "ALA " " CA " 6 0 2 1 4760 15.82 + 4760 2 -7.786000 -3.114000 29.799000 97 " " A B 2 "ALA " " C " 6 0 2 1 4761 15.82 + 4761 15 -8.997000 -2.904000 29.844000 97 " " A B 2 "ALA " " O " 8 0 2 1 4762 10.1 + 4762 3 -5.860000 -1.590000 30.516000 97 " " A B 2 "ALA " " CB " 6 0 2 1 4763 10.1 + 4763 43 -8.355000 -0.545000 29.453000 97 " " A B 2 "ALA " " H " 1 0 2 1 4764 15.82 + 4764 41 -6.241000 -2.407000 28.564000 97 " " A B 2 "ALA " " HA " 1 0 2 1 4765 15.82 + 4765 41 -5.275000 -2.443000 30.857000 97 " " A B 2 "ALA " " HB1" 1 0 2 1 4766 10.1 + 4766 41 -5.152000 -0.835000 30.172000 97 " " A B 2 "ALA " " HB2" 1 0 2 1 4767 10.1 + 4767 41 -6.387000 -1.181000 31.376000 97 " " A B 2 "ALA " " HB3" 1 0 2 1 4768 10.1 + 4768 25 -7.208000 -4.292000 30.062000 98 " " R B 2 "ARG " " N " 7 0 2 1 4769 2.48 + 4769 3 -7.904000 -5.488000 30.510000 98 " " R B 2 "ARG " " CA " 6 0 2 1 4770 2.48 + 4770 2 -7.249000 -5.948000 31.810000 98 " " R B 2 "ARG " " C " 6 0 2 1 4771 2.48 + 4771 15 -6.060000 -6.248000 31.794000 98 " " R B 2 "ARG " " O " 8 0 2 1 4772 2.48 + 4772 3 -7.782000 -6.582000 29.431000 98 " " R B 2 "ARG " " CB " 6 0 2 1 4773 2.48 + 4773 3 -8.667000 -7.802000 29.726000 98 " " R B 2 "ARG " " CG " 6 0 2 1 4774 2.48 + 4774 3 -8.399000 -9.007000 28.821000 98 " " R B 2 "ARG " " CD " 6 0 2 1 4775 2.48 + 4775 25 -7.248000 -9.813000 29.248000 98 " " R B 2 "ARG " " NE " 7 0 2 1 4776 2.48 + 4776 2 -6.995000 -11.049000 28.783000 98 " " R B 2 "ARG " " CZ " 6 0 2 1 4777 2.48 + 4777 25 -7.746000 -11.594000 27.815000 98 " " R B 2 "ARG " " NH1" 7 0 2 1 4778 2.48 + 4778 31 -5.988000 -11.763000 29.294000 98 " " R B 2 "ARG " " NH2" 7 1 2 1 4779 2.48 + 4779 43 -6.205000 -4.382000 29.960000 98 " " R B 2 "ARG " " H " 1 0 2 1 4780 2.48 + 4780 41 -8.962000 -5.283000 30.693000 98 " " R B 2 "ARG " " HA " 1 0 2 1 4781 2.48 + 4781 41 -6.741000 -6.893000 29.334000 98 " " R B 2 "ARG " " HB3" 1 0 2 1 4782 2.48 + 4782 41 -8.070000 -6.175000 28.460000 98 " " R B 2 "ARG " " HB2" 1 0 2 1 4783 2.48 + 4783 41 -9.726000 -7.540000 29.723000 98 " " R B 2 "ARG " " HG3" 1 0 2 1 4784 2.48 + 4784 41 -8.450000 -8.131000 30.742000 98 " " R B 2 "ARG " " HG2" 1 0 2 1 4785 2.48 + 4785 41 -8.143000 -8.666000 27.817000 98 " " R B 2 "ARG " " HD3" 1 0 2 1 4786 2.48 + 4786 41 -9.298000 -9.611000 28.742000 98 " " R B 2 "ARG " " HD2" 1 0 2 1 4787 2.48 + 4787 43 -6.605000 -9.400000 29.919000 98 " " R B 2 "ARG " " HE " 1 0 2 1 4788 2.48 + 4788 43 -7.561000 -12.530000 27.486000 98 " " R B 2 "ARG " "HH12" 1 0 2 1 4789 2.48 + 4789 43 -8.510000 -11.067000 27.416000 98 " " R B 2 "ARG " "HH11" 1 0 2 1 4790 2.48 + 4790 44 -5.793000 -12.695000 28.961000 98 " " R B 2 "ARG " "HH22" 1 0 2 1 4791 2.48 + 4791 44 -5.413000 -11.377000 30.044000 98 " " R B 2 "ARG " "HH21" 1 0 2 1 4792 2.48 + 4792 25 -8.037000 -6.022000 32.888000 99 " " D B 2 "ASP " " N " 7 0 2 1 4793 13.98 + 4793 3 -7.590000 -6.440000 34.212000 99 " " D B 2 "ASP " " CA " 6 0 2 1 4794 13.98 + 4794 2 -8.061000 -7.878000 34.463000 99 " " D B 2 "ASP " " C " 6 0 2 1 4795 13.98 + 4795 15 -9.267000 -8.134000 34.472000 99 " " D B 2 "ASP " " O " 8 0 2 1 4796 20.26 + 4796 3 -8.107000 -5.441000 35.263000 99 " " D B 2 "ASP " " CB " 6 0 2 1 4797 20.26 + 4797 2 -7.742000 -5.693000 36.726000 99 " " D B 2 "ASP " " CG " 6 0 2 1 4798 20.26 + 4798 15 -6.787000 -6.459000 36.977000 99 " " D B 2 "ASP " " OD1" 8 0 2 1 4799 20.26 + 4799 18 -8.387000 -5.032000 37.569000 99 " " D B 2 "ASP " " OD2" 8 -1 2 1 4800 20.26 + 4800 43 -9.014000 -5.770000 32.815000 99 " " D B 2 "ASP " " H " 1 0 2 1 4801 13.98 + 4801 41 -6.501000 -6.415000 34.259000 99 " " D B 2 "ASP " " HA " 1 0 2 1 4802 13.98 + 4802 41 -9.190000 -5.391000 35.185000 99 " " D B 2 "ASP " " HB3" 1 0 2 1 4803 20.26 + 4803 41 -7.699000 -4.465000 35.007000 99 " " D B 2 "ASP " " HB2" 1 0 2 1 4804 20.26 + 4804 25 -7.080000 -8.767000 34.691000 100 " " N B 2 "ASN " " N " 7 0 0 1 4805 22.96 + 4805 3 -7.265000 -10.174000 35.062000 100 " " N B 2 "ASN " " CA " 6 0 0 1 4806 22.96 + 4806 2 -7.481000 -10.394000 36.579000 100 " " N B 2 "ASN " " C " 6 0 0 1 4807 22.96 + 4807 15 -7.540000 -11.548000 36.998000 100 " " N B 2 "ASN " " O " 8 0 0 1 4808 19.22 + 4808 3 -6.095000 -11.014000 34.482000 100 " " N B 2 "ASN " " CB " 6 0 0 1 4809 19.22 + 4809 2 -4.687000 -10.731000 35.040000 100 " " N B 2 "ASN " " CG " 6 0 0 1 4810 19.22 + 4810 15 -4.514000 -10.265000 36.162000 100 " " N B 2 "ASN " " OD1" 8 0 0 1 4811 19.22 + 4811 25 -3.656000 -11.041000 34.255000 100 " " N B 2 "ASN " " ND2" 7 0 0 1 4812 19.22 + 4812 43 -6.121000 -8.444000 34.674000 100 " " N B 2 "ASN " " H " 1 0 0 1 4813 22.96 + 4813 41 -8.179000 -10.538000 34.591000 100 " " N B 2 "ASN " " HA " 1 0 0 1 4814 22.96 + 4814 41 -6.073000 -10.868000 33.403000 100 " " N B 2 "ASN " " HB3" 1 0 0 1 4815 19.22 + 4815 41 -6.298000 -12.076000 34.631000 100 " " N B 2 "ASN " " HB2" 1 0 0 1 4816 19.22 + 4816 43 -2.710000 -10.885000 34.572000 100 " " N B 2 "ASN " "HD22" 1 0 0 1 4817 19.22 + 4817 43 -3.814000 -11.375000 33.312000 100 " " N B 2 "ASN " "HD21" 1 0 0 1 4818 19.22 + 4818 25 -7.570000 -9.291000 37.345000 101 " " S B 2 "SER " " N " 7 0 0 1 4819 7.28 + 4819 3 -7.665000 -9.128000 38.803000 101 " " S B 2 "SER " " CA " 6 0 0 1 4820 7.28 + 4820 2 -6.308000 -8.820000 39.452000 101 " " S B 2 "SER " " C " 6 0 0 1 4821 7.28 + 4821 15 -6.263000 -7.987000 40.357000 101 " " S B 2 "SER " " O " 8 0 0 1 4822 18.27 + 4822 3 -8.392000 -10.271000 39.548000 101 " " S B 2 "SER " " CB " 6 0 0 1 4823 18.27 + 4823 16 -9.746000 -10.340000 39.158000 101 " " S B 2 "SER " " OG " 8 0 0 1 4824 18.27 + 4824 43 -7.478000 -8.403000 36.867000 101 " " S B 2 "SER " " H " 1 0 0 1 4825 7.28 + 4825 41 -8.264000 -8.226000 38.939000 101 " " S B 2 "SER " " HA " 1 0 0 1 4826 7.28 + 4826 41 -8.382000 -10.075000 40.621000 101 " " S B 2 "SER " " HB3" 1 0 0 1 4827 18.27 + 4827 41 -7.904000 -11.237000 39.420000 101 " " S B 2 "SER " " HB2" 1 0 0 1 4828 18.27 + 4828 42 -9.780000 -10.643000 38.247000 101 " " S B 2 "SER " " HG " 1 0 0 1 4829 18.27 + 4829 25 -5.232000 -9.479000 38.992000 102 " " Y B 2 "TYR " " N " 7 0 0 1 4830 7.93 + 4830 3 -3.879000 -9.282000 39.513000 102 " " Y B 2 "TYR " " CA " 6 0 0 1 4831 7.93 + 4831 2 -3.108000 -8.146000 38.828000 102 " " Y B 2 "TYR " " C " 6 0 0 1 4832 7.93 + 4832 15 -2.258000 -7.555000 39.493000 102 " " Y B 2 "TYR " " O " 8 0 0 1 4833 9.63 + 4833 3 -3.100000 -10.610000 39.460000 102 " " Y B 2 "TYR " " CB " 6 0 0 1 4834 9.63 + 4834 2 -3.361000 -11.510000 40.653000 102 " " Y B 2 "TYR " " CG " 6 0 0 1 4835 9.63 + 4835 2 -2.926000 -11.110000 41.935000 102 " " Y B 2 "TYR " " CD1" 6 0 0 1 4836 9.63 + 4836 2 -4.044000 -12.733000 40.497000 102 " " Y B 2 "TYR " " CD2" 6 0 0 1 4837 9.63 + 4837 2 -3.179000 -11.922000 43.056000 102 " " Y B 2 "TYR " " CE1" 6 0 0 1 4838 9.63 + 4838 2 -4.293000 -13.548000 41.619000 102 " " Y B 2 "TYR " " CE2" 6 0 0 1 4839 9.63 + 4839 2 -3.864000 -13.141000 42.899000 102 " " Y B 2 "TYR " " CZ " 6 0 0 1 4840 9.63 + 4840 16 -4.114000 -13.925000 43.987000 102 " " Y B 2 "TYR " " OH " 8 0 0 1 4841 9.63 + 4841 43 -5.330000 -10.128000 38.222000 102 " " Y B 2 "TYR " " H " 1 0 0 1 4842 7.93 + 4842 41 -3.958000 -8.989000 40.561000 102 " " Y B 2 "TYR " " HA " 1 0 0 1 4843 7.93 + 4843 41 -2.031000 -10.411000 39.474000 102 " " Y B 2 "TYR " " HB3" 1 0 0 1 4844 9.63 + 4844 41 -3.282000 -11.137000 38.522000 102 " " Y B 2 "TYR " " HB2" 1 0 0 1 4845 9.63 + 4845 41 -2.407000 -10.172000 42.062000 102 " " Y B 2 "TYR " " HD1" 1 0 0 1 4846 9.63 + 4846 41 -4.383000 -13.047000 39.520000 102 " " Y B 2 "TYR " " HD2" 1 0 0 1 4847 9.63 + 4847 41 -2.846000 -11.608000 44.035000 102 " " Y B 2 "TYR " " HE1" 1 0 0 1 4848 9.63 + 4848 41 -4.820000 -14.483000 41.493000 102 " " Y B 2 "TYR " " HE2" 1 0 0 1 4849 9.63 + 4849 42 -4.582000 -14.734000 43.769000 102 " " Y B 2 "TYR " " HH " 1 0 0 1 4850 9.63 + 4850 25 -3.407000 -7.845000 37.553000 103 " " Y B 2 "TYR " " N " 7 0 0 1 4851 2.48 + 4851 3 -2.777000 -6.762000 36.797000 103 " " Y B 2 "TYR " " CA " 6 0 0 1 4852 2.48 + 4852 2 -3.477000 -6.521000 35.455000 103 " " Y B 2 "TYR " " C " 6 0 0 1 4853 2.48 + 4853 15 -4.166000 -7.403000 34.940000 103 " " Y B 2 "TYR " " O " 8 0 0 1 4854 7.87 + 4854 3 -1.257000 -7.011000 36.596000 103 " " Y B 2 "TYR " " CB " 6 0 0 1 4855 7.87 + 4855 2 -0.856000 -8.225000 35.772000 103 " " Y B 2 "TYR " " CG " 6 0 0 1 4856 7.87 + 4856 2 -0.747000 -9.498000 36.369000 103 " " Y B 2 "TYR " " CD1" 6 0 0 1 4857 7.87 + 4857 2 -0.547000 -8.075000 34.408000 103 " " Y B 2 "TYR " " CD2" 6 0 0 1 4858 7.87 + 4858 2 -0.313000 -10.604000 35.612000 103 " " Y B 2 "TYR " " CE1" 6 0 0 1 4859 7.87 + 4859 2 -0.103000 -9.178000 33.653000 103 " " Y B 2 "TYR " " CE2" 6 0 0 1 4860 7.87 + 4860 2 0.016000 -10.442000 34.253000 103 " " Y B 2 "TYR " " CZ " 6 0 0 1 4861 7.87 + 4861 16 0.452000 -11.503000 33.514000 103 " " Y B 2 "TYR " " OH " 8 0 0 1 4862 7.87 + 4862 43 -4.111000 -8.378000 37.059000 103 " " Y B 2 "TYR " " H " 1 0 0 1 4863 2.48 + 4863 41 -2.922000 -5.851000 37.378000 103 " " Y B 2 "TYR " " HA " 1 0 0 1 4864 2.48 + 4864 41 -0.749000 -7.071000 37.554000 103 " " Y B 2 "TYR " " HB3" 1 0 0 1 4865 7.87 + 4865 41 -0.814000 -6.135000 36.124000 103 " " Y B 2 "TYR " " HB2" 1 0 0 1 4866 7.87 + 4866 41 -0.981000 -9.628000 37.414000 103 " " Y B 2 "TYR " " HD1" 1 0 0 1 4867 7.87 + 4867 41 -0.634000 -7.105000 33.944000 103 " " Y B 2 "TYR " " HD2" 1 0 0 1 4868 7.87 + 4868 41 -0.223000 -11.573000 36.081000 103 " " Y B 2 "TYR " " HE1" 1 0 0 1 4869 7.87 + 4869 41 0.143000 -9.061000 32.609000 103 " " Y B 2 "TYR " " HE2" 1 0 0 1 4870 7.87 + 4870 42 0.709000 -11.266000 32.614000 103 " " Y B 2 "TYR " " HH " 1 0 0 1 4871 7.87 + 4871 25 -3.230000 -5.321000 34.902000 104 " " F B 2 "PHE " " N " 7 0 2 1 4872 23.04 + 4872 3 -3.637000 -4.907000 33.560000 104 " " F B 2 "PHE " " CA " 6 0 2 1 4873 23.04 + 4873 2 -2.732000 -5.609000 32.527000 104 " " F B 2 "PHE " " C " 6 0 2 1 4874 23.04 + 4874 15 -1.628000 -5.123000 32.271000 104 " " F B 2 "PHE " " O " 8 0 2 1 4875 22.92 + 4875 3 -3.571000 -3.364000 33.416000 104 " " F B 2 "PHE " " CB " 6 0 2 1 4876 22.92 + 4876 2 -4.517000 -2.488000 34.235000 104 " " F B 2 "PHE " " CG " 6 0 2 1 4877 22.92 + 4877 2 -5.259000 -2.968000 35.341000 104 " " F B 2 "PHE " " CD1" 6 0 2 1 4878 22.92 + 4878 2 -4.564000 -1.107000 33.947000 104 " " F B 2 "PHE " " CD2" 6 0 2 1 4879 22.92 + 4879 2 -6.016000 -2.093000 36.108000 104 " " F B 2 "PHE " " CE1" 6 0 2 1 4880 22.92 + 4880 2 -5.325000 -0.247000 34.727000 104 " " F B 2 "PHE " " CE2" 6 0 2 1 4881 22.92 + 4881 2 -6.043000 -0.738000 35.807000 104 " " F B 2 "PHE " " CZ " 6 0 2 1 4882 22.92 + 4882 43 -2.680000 -4.649000 35.418000 104 " " F B 2 "PHE " " H " 1 0 2 1 4883 23.04 + 4883 41 -4.669000 -5.204000 33.416000 104 " " F B 2 "PHE " " HA " 1 0 2 1 4884 23.04 + 4884 41 -3.730000 -3.108000 32.369000 104 " " F B 2 "PHE " " HB3" 1 0 2 1 4885 22.92 + 4885 41 -2.562000 -3.016000 33.626000 104 " " F B 2 "PHE " " HB2" 1 0 2 1 4886 22.92 + 4886 41 -5.262000 -4.012000 35.613000 104 " " F B 2 "PHE " " HD1" 1 0 2 1 4887 22.92 + 4887 41 -4.003000 -0.709000 33.116000 104 " " F B 2 "PHE " " HD2" 1 0 2 1 4888 22.92 + 4888 41 -6.584000 -2.470000 36.946000 104 " " F B 2 "PHE " " HE1" 1 0 2 1 4889 22.92 + 4889 41 -5.355000 0.808000 34.496000 104 " " F B 2 "PHE " " HE2" 1 0 2 1 4890 22.92 + 4890 41 -6.631000 -0.063000 36.409000 104 " " F B 2 "PHE " " HZ " 1 0 2 1 4891 22.92 + 4891 25 -3.176000 -6.775000 32.023000 105 " " D B 2 "ASP " " N " 7 0 2 1 4892 2.48 + 4892 3 -2.362000 -7.700000 31.220000 105 " " D B 2 "ASP " " CA " 6 0 2 1 4893 2.48 + 4893 2 -2.361000 -7.398000 29.713000 105 " " D B 2 "ASP " " C " 6 0 2 1 4894 2.48 + 4894 15 -1.495000 -7.917000 29.011000 105 " " D B 2 "ASP " " O " 8 0 2 1 4895 2.48 + 4895 3 -2.705000 -9.193000 31.456000 105 " " D B 2 "ASP " " CB " 6 0 2 1 4896 2.48 + 4896 2 -4.145000 -9.657000 31.205000 105 " " D B 2 "ASP " " CG " 6 0 2 1 4897 2.48 + 4897 15 -5.013000 -8.834000 30.844000 105 " " D B 2 "ASP " " OD1" 8 0 2 1 4898 2.48 + 4898 18 -4.356000 -10.878000 31.367000 105 " " D B 2 "ASP " " OD2" 8 -1 2 1 4899 2.48 + 4899 43 -4.106000 -7.100000 32.257000 105 " " D B 2 "ASP " " H " 1 0 2 1 4900 2.48 + 4900 41 -1.325000 -7.576000 31.533000 105 " " D B 2 "ASP " " HA " 1 0 2 1 4901 2.48 + 4901 41 -2.495000 -9.407000 32.501000 105 " " D B 2 "ASP " " HB3" 1 0 2 1 4902 2.48 + 4902 41 -2.036000 -9.815000 30.859000 105 " " D B 2 "ASP " " HB2" 1 0 2 1 4903 2.48 + 4903 25 -3.316000 -6.585000 29.242000 106 " " Y B 2 "TYR " " N " 7 0 2 1 4904 2.48 + 4904 3 -3.396000 -6.136000 27.858000 106 " " Y B 2 "TYR " " CA " 6 0 2 1 4905 2.48 + 4905 2 -3.807000 -4.676000 27.838000 106 " " Y B 2 "TYR " " C " 6 0 2 1 4906 2.48 + 4906 15 -4.674000 -4.273000 28.608000 106 " " Y B 2 "TYR " " O " 8 0 2 1 4907 28.85 + 4907 3 -4.383000 -6.993000 27.048000 106 " " Y B 2 "TYR " " CB " 6 0 2 1 4908 28.85 + 4908 2 -3.819000 -8.337000 26.654000 106 " " Y B 2 "TYR " " CG " 6 0 2 1 4909 28.85 + 4909 2 -2.992000 -8.442000 25.517000 106 " " Y B 2 "TYR " " CD1" 6 0 2 1 4910 28.85 + 4910 2 -4.087000 -9.476000 27.437000 106 " " Y B 2 "TYR " " CD2" 6 0 2 1 4911 28.85 + 4911 2 -2.448000 -9.689000 25.157000 106 " " Y B 2 "TYR " " CE1" 6 0 2 1 4912 28.85 + 4912 2 -3.524000 -10.717000 27.090000 106 " " Y B 2 "TYR " " CE2" 6 0 2 1 4913 28.85 + 4913 2 -2.714000 -10.826000 25.944000 106 " " Y B 2 "TYR " " CZ " 6 0 2 1 4914 28.85 + 4914 16 -2.190000 -12.034000 25.590000 106 " " Y B 2 "TYR " " OH " 8 0 2 1 4915 28.85 + 4915 43 -4.009000 -6.213000 29.876000 106 " " Y B 2 "TYR " " H " 1 0 2 1 4916 2.48 + 4916 41 -2.408000 -6.206000 27.396000 106 " " Y B 2 "TYR " " HA " 1 0 2 1 4917 2.48 + 4917 41 -4.626000 -6.482000 26.116000 106 " " Y B 2 "TYR " " HB3" 1 0 2 1 4918 28.85 + 4918 41 -5.329000 -7.117000 27.574000 106 " " Y B 2 "TYR " " HB2" 1 0 2 1 4919 28.85 + 4919 41 -2.777000 -7.571000 24.917000 106 " " Y B 2 "TYR " " HD1" 1 0 2 1 4920 28.85 + 4920 41 -4.709000 -9.393000 28.313000 106 " " Y B 2 "TYR " " HD2" 1 0 2 1 4921 28.85 + 4921 41 -1.825000 -9.770000 24.278000 106 " " Y B 2 "TYR " " HE1" 1 0 2 1 4922 28.85 + 4922 41 -3.720000 -11.585000 27.700000 106 " " Y B 2 "TYR " " HE2" 1 0 2 1 4923 28.85 + 4923 42 -2.393000 -12.733000 26.216000 106 " " Y B 2 "TYR " " HH " 1 0 2 1 4924 28.85 + 4924 25 -3.165000 -3.935000 26.933000 107 " " W B 2 "TRP " " N " 7 0 2 1 4925 2.48 + 4925 3 -3.405000 -2.527000 26.684000 107 " " W B 2 "TRP " " CA " 6 0 2 1 4926 2.48 + 4926 2 -3.647000 -2.372000 25.186000 107 " " W B 2 "TRP " " C " 6 0 2 1 4927 2.48 + 4927 15 -2.890000 -2.924000 24.385000 107 " " W B 2 "TRP " " O " 8 0 2 1 4928 2.48 + 4928 3 -2.174000 -1.705000 27.117000 107 " " W B 2 "TRP " " CB " 6 0 2 1 4929 2.48 + 4929 2 -1.828000 -1.727000 28.578000 107 " " W B 2 "TRP " " CG " 6 0 2 1 4930 2.48 + 4930 2 -1.308000 -2.777000 29.254000 107 " " W B 2 "TRP " " CD1" 6 0 2 1 4931 2.48 + 4931 2 -1.994000 -0.664000 29.565000 107 " " W B 2 "TRP " " CD2" 6 0 2 1 4932 2.48 + 4932 25 -1.149000 -2.445000 30.582000 107 " " W B 2 "TRP " " NE1" 7 0 2 1 4933 2.48 + 4933 2 -1.537000 -1.144000 30.829000 107 " " W B 2 "TRP " " CE2" 6 0 2 1 4934 2.48 + 4934 2 -2.479000 0.664000 29.520000 107 " " W B 2 "TRP " " CE3" 6 0 2 1 4935 2.48 + 4935 2 -1.547000 -0.341000 31.984000 107 " " W B 2 "TRP " " CZ2" 6 0 2 1 4936 2.48 + 4936 2 -2.487000 1.481000 30.669000 107 " " W B 2 "TRP " " CZ3" 6 0 2 1 4937 2.48 + 4937 2 -2.018000 0.982000 31.899000 107 " " W B 2 "TRP " " CH2" 6 0 2 1 4938 2.48 + 4938 43 -2.476000 -4.366000 26.335000 107 " " W B 2 "TRP " " H " 1 0 2 1 4939 2.48 + 4939 41 -4.279000 -2.174000 27.230000 107 " " W B 2 "TRP " " HA " 1 0 2 1 4940 2.48 + 4940 41 -2.331000 -0.662000 26.840000 107 " " W B 2 "TRP " " HB3" 1 0 2 1 4941 2.48 + 4941 41 -1.291000 -2.034000 26.566000 107 " " W B 2 "TRP " " HB2" 1 0 2 1 4942 2.48 + 4942 41 -1.065000 -3.733000 28.813000 107 " " W B 2 "TRP " " HD1" 1 0 2 1 4943 2.48 + 4943 43 -0.790000 -3.100000 31.263000 107 " " W B 2 "TRP " " HE1" 1 0 2 1 4944 2.48 + 4944 41 -2.830000 1.064000 28.582000 107 " " W B 2 "TRP " " HE3" 1 0 2 1 4945 2.48 + 4945 41 -1.204000 -0.731000 32.929000 107 " " W B 2 "TRP " " HZ2" 1 0 2 1 4946 2.48 + 4946 41 -2.851000 2.496000 30.603000 107 " " W B 2 "TRP " " HZ3" 1 0 2 1 4947 2.48 + 4947 41 -2.027000 1.610000 32.776000 107 " " W B 2 "TRP " " HH2" 1 0 2 1 4948 2.48 + 4948 25 -4.655000 -1.561000 24.839000 108 " " G B 2 "GLY " " N " 7 0 0 1 4949 2.48 + 4949 3 -4.812000 -1.055000 23.484000 108 " " G B 2 "GLY " " CA " 6 0 0 1 4950 2.48 + 4950 2 -3.762000 0.035000 23.244000 108 " " G B 2 "GLY " " C " 6 0 0 1 4951 2.48 + 4951 15 -3.246000 0.643000 24.187000 108 " " G B 2 "GLY " " O " 8 0 0 1 4952 6.23 + 4952 43 -5.237000 -1.147000 25.557000 108 " " G B 2 "GLY " " H " 1 0 0 1 4953 2.48 + 4953 41 -5.814000 -0.644000 23.358000 108 " " G B 2 "GLY " " HA3" 1 0 0 1 4954 2.48 + 4954 41 -4.687000 -1.858000 22.758000 108 " " G B 2 "GLY " " HA2" 1 0 0 1 4955 2.48 + 4955 25 -3.475000 0.305000 21.961000 109 " " Q B 2 "GLN " " N " 7 0 0 1 4956 6.28 + 4956 3 -2.705000 1.474000 21.533000 109 " " Q B 2 "GLN " " CA " 6 0 0 1 4957 6.28 + 4957 2 -3.517000 2.746000 21.836000 109 " " Q B 2 "GLN " " C " 6 0 0 1 4958 6.28 + 4958 15 -4.745000 2.703000 21.803000 109 " " Q B 2 "GLN " " O " 8 0 0 1 4959 76.5 + 4959 3 -2.319000 1.337000 20.036000 109 " " Q B 2 "GLN " " CB " 6 0 0 1 4960 76.5 + 4960 3 -3.321000 1.817000 18.953000 109 " " Q B 2 "GLN " " CG " 6 0 0 1 4961 76.5 + 4961 2 -4.546000 0.926000 18.721000 109 " " Q B 2 "GLN " " CD " 6 0 0 1 4962 76.5 + 4962 15 -4.797000 -0.040000 19.436000 109 " " Q B 2 "GLN " " OE1" 8 0 0 1 4963 76.5 + 4963 25 -5.315000 1.252000 17.682000 109 " " Q B 2 "GLN " " NE2" 7 0 0 1 4964 76.5 + 4964 43 -3.939000 -0.211000 21.224000 109 " " Q B 2 "GLN " " H " 1 0 0 1 4965 6.28 + 4965 41 -1.785000 1.497000 22.121000 109 " " Q B 2 "GLN " " HA " 1 0 0 1 4966 6.28 + 4966 41 -2.016000 0.310000 19.827000 109 " " Q B 2 "GLN " " HB3" 1 0 0 1 4967 76.5 + 4967 41 -1.411000 1.924000 19.894000 109 " " Q B 2 "GLN " " HB2" 1 0 0 1 4968 76.5 + 4968 41 -2.783000 1.857000 18.005000 109 " " Q B 2 "GLN " " HG3" 1 0 0 1 4969 76.5 + 4969 41 -3.649000 2.840000 19.137000 109 " " Q B 2 "GLN " " HG2" 1 0 0 1 4970 76.5 + 4970 43 -6.113000 0.687000 17.435000 109 " " Q B 2 "GLN " "HE22" 1 0 0 1 4971 76.5 + 4971 43 -5.093000 2.056000 17.114000 109 " " Q B 2 "GLN " "HE21" 1 0 0 1 4972 76.5 + 4972 25 -2.822000 3.849000 22.132000 110 " " G B 2 "GLY " " N " 7 0 0 1 4973 17.06 + 4973 3 -3.461000 5.085000 22.571000 110 " " G B 2 "GLY " " CA " 6 0 0 1 4974 17.06 + 4974 2 -4.317000 5.734000 21.468000 110 " " G B 2 "GLY " " C " 6 0 0 1 4975 17.06 + 4975 15 -3.902000 5.785000 20.310000 110 " " G B 2 "GLY " " O " 8 0 0 1 4976 64.42 + 4976 43 -1.814000 3.829000 22.115000 110 " " G B 2 "GLY " " H " 1 0 0 1 4977 17.06 + 4977 41 -2.658000 5.766000 22.840000 110 " " G B 2 "GLY " " HA3" 1 0 0 1 4978 17.06 + 4978 41 -4.048000 4.903000 23.473000 110 " " G B 2 "GLY " " HA2" 1 0 0 1 4979 17.06 + 4979 25 -5.483000 6.280000 21.858000 111 " " T B 2 "THR " " N " 7 0 2 1 4980 2.48 + 4980 3 -6.235000 7.252000 21.062000 111 " " T B 2 "THR " " CA " 6 0 2 1 4981 2.48 + 4981 2 -5.774000 8.646000 21.488000 111 " " T B 2 "THR " " C " 6 0 2 1 4982 2.48 + 4982 15 -5.960000 9.003000 22.651000 111 " " T B 2 "THR " " O " 8 0 2 1 4983 2.48 + 4983 3 -7.766000 7.222000 21.319000 111 " " T B 2 "THR " " CB " 6 0 2 1 4984 2.48 + 4984 16 -8.291000 5.992000 20.900000 111 " " T B 2 "THR " " OG1" 8 0 2 1 4985 2.48 + 4985 3 -8.552000 8.307000 20.553000 111 " " T B 2 "THR " " CG2" 6 0 2 1 4986 2.48 + 4986 43 -5.787000 6.168000 22.817000 111 " " T B 2 "THR " " H " 1 0 2 1 4987 2.48 + 4987 41 -6.050000 7.105000 19.996000 111 " " T B 2 "THR " " HA " 1 0 2 1 4988 2.48 + 4988 41 -7.981000 7.305000 22.386000 111 " " T B 2 "THR " " HB " 1 0 2 1 4989 2.48 + 4989 42 -8.307000 5.982000 19.941000 111 " " T B 2 "THR " " HG1" 1 0 2 1 4990 2.48 + 4990 41 -9.621000 8.106000 20.580000 111 " " T B 2 "THR " "HG21" 1 0 2 1 4991 2.48 + 4991 41 -8.406000 9.301000 20.977000 111 " " T B 2 "THR " "HG22" 1 0 2 1 4992 2.48 + 4992 41 -8.258000 8.345000 19.503000 111 " " T B 2 "THR " "HG23" 1 0 2 1 4993 2.48 + 4993 25 -5.213000 9.409000 20.543000 112 " " T B 2 "THR " " N " 7 0 2 1 4994 9.38 + 4994 3 -4.740000 10.766000 20.793000 112 " " T B 2 "THR " " CA " 6 0 2 1 4995 9.38 + 4995 2 -5.890000 11.766000 20.569000 112 " " T B 2 "THR " " C " 6 0 2 1 4996 9.38 + 4996 15 -6.077000 12.262000 19.455000 112 " " T B 2 "THR " " O " 8 0 2 1 4997 7.49 + 4997 3 -3.546000 11.114000 19.871000 112 " " T B 2 "THR " " CB " 6 0 2 1 4998 7.49 + 4998 16 -2.536000 10.135000 20.020000 112 " " T B 2 "THR " " OG1" 8 0 2 1 4999 7.49 + 4999 3 -2.906000 12.486000 20.146000 112 " " T B 2 "THR " " CG2" 6 0 2 1 5000 7.49 + 5000 43 -5.108000 9.059000 19.599000 112 " " T B 2 "THR " " H " 1 0 2 1 5001 9.38 + 5001 41 -4.398000 10.860000 21.826000 112 " " T B 2 "THR " " HA " 1 0 2 1 5002 9.38 + 5002 41 -3.878000 11.078000 18.836000 112 " " T B 2 "THR " " HB " 1 0 2 1 5003 7.49 + 5003 42 -2.881000 9.291000 19.718000 112 " " T B 2 "THR " " HG1" 1 0 2 1 5004 7.49 + 5004 41 -2.032000 12.640000 19.513000 112 " " T B 2 "THR " "HG21" 1 0 2 1 5005 7.49 + 5005 41 -3.595000 13.306000 19.941000 112 " " T B 2 "THR " "HG22" 1 0 2 1 5006 7.49 + 5006 41 -2.586000 12.572000 21.185000 112 " " T B 2 "THR " "HG23" 1 0 2 1 5007 7.49 + 5007 25 -6.662000 12.016000 21.640000 113 " " L B 2 "LEU " " N " 7 0 2 1 5008 8.55 + 5008 3 -7.736000 13.003000 21.644000 113 " " L B 2 "LEU " " CA " 6 0 2 1 5009 8.55 + 5009 2 -7.139000 14.416000 21.680000 113 " " L B 2 "LEU " " C " 6 0 2 1 5010 8.55 + 5010 15 -6.301000 14.693000 22.537000 113 " " L B 2 "LEU " " O " 8 0 2 1 5011 2.48 + 5011 3 -8.679000 12.762000 22.845000 113 " " L B 2 "LEU " " CB " 6 0 2 1 5012 2.48 + 5012 3 -10.002000 13.560000 22.772000 113 " " L B 2 "LEU " " CG " 6 0 2 1 5013 2.48 + 5013 3 -10.842000 13.131000 21.561000 113 " " L B 2 "LEU " " CD1" 6 0 2 1 5014 2.48 + 5014 3 -10.810000 13.454000 24.079000 113 " " L B 2 "LEU " " CD2" 6 0 2 1 5015 2.48 + 5015 43 -6.447000 11.581000 22.528000 113 " " L B 2 "LEU " " H " 1 0 2 1 5016 8.55 + 5016 41 -8.300000 12.870000 20.721000 113 " " L B 2 "LEU " " HA " 1 0 2 1 5017 8.55 + 5017 41 -8.148000 13.020000 23.760000 113 " " L B 2 "LEU " " HB3" 1 0 2 1 5018 2.48 + 5018 41 -8.912000 11.698000 22.923000 113 " " L B 2 "LEU " " HB2" 1 0 2 1 5019 2.48 + 5019 41 -9.762000 14.618000 22.651000 113 " " L B 2 "LEU " " HG " 1 0 2 1 5020 2.48 + 5020 41 -11.905000 13.261000 21.731000 113 " " L B 2 "LEU " "HD11" 1 0 2 1 5021 2.48 + 5021 41 -10.580000 13.718000 20.682000 113 " " L B 2 "LEU " "HD12" 1 0 2 1 5022 2.48 + 5022 41 -10.685000 12.080000 21.327000 113 " " L B 2 "LEU " "HD13" 1 0 2 1 5023 2.48 + 5023 41 -11.182000 14.432000 24.386000 113 " " L B 2 "LEU " "HD21" 1 0 2 1 5024 2.48 + 5024 41 -11.668000 12.789000 23.983000 113 " " L B 2 "LEU " "HD22" 1 0 2 1 5025 2.48 + 5025 41 -10.206000 13.071000 24.900000 113 " " L B 2 "LEU " "HD23" 1 0 2 1 5026 2.48 + 5026 25 -7.598000 15.270000 20.758000 114 " " T B 2 "THR " " N " 7 0 2 1 5027 2.48 + 5027 3 -7.240000 16.681000 20.690000 114 " " T B 2 "THR " " CA " 6 0 2 1 5028 2.48 + 5028 2 -8.536000 17.496000 20.696000 114 " " T B 2 "THR " " C " 6 0 2 1 5029 2.48 + 5029 15 -9.353000 17.343000 19.788000 114 " " T B 2 "THR " " O " 8 0 2 1 5030 2.48 + 5030 3 -6.442000 17.008000 19.399000 114 " " T B 2 "THR " " CB " 6 0 2 1 5031 2.48 + 5031 16 -5.219000 16.299000 19.426000 114 " " T B 2 "THR " " OG1" 8 0 2 1 5032 2.48 + 5032 3 -6.114000 18.503000 19.205000 114 " " T B 2 "THR " " CG2" 6 0 2 1 5033 2.48 + 5033 43 -8.272000 14.952000 20.073000 114 " " T B 2 "THR " " H " 1 0 2 1 5034 2.48 + 5034 41 -6.650000 16.977000 21.556000 114 " " T B 2 "THR " " HA " 1 0 2 1 5035 2.48 + 5035 41 -6.990000 16.649000 18.526000 114 " " T B 2 "THR " " HB " 1 0 2 1 5036 2.48 + 5036 42 -5.415000 15.359000 19.462000 114 " " T B 2 "THR " " HG1" 1 0 2 1 5037 2.48 + 5037 41 -5.444000 18.655000 18.360000 114 " " T B 2 "THR " "HG21" 1 0 2 1 5038 2.48 + 5038 41 -7.008000 19.097000 19.014000 114 " " T B 2 "THR " "HG22" 1 0 2 1 5039 2.48 + 5039 41 -5.624000 18.915000 20.089000 114 " " T B 2 "THR " "HG23" 1 0 2 1 5040 2.48 + 5040 25 -8.690000 18.350000 21.720000 115 " " V B 2 "VAL " " N " 7 0 2 1 5041 14.38 + 5041 3 -9.807000 19.281000 21.830000 115 " " V B 2 "VAL " " CA " 6 0 2 1 5042 14.38 + 5042 2 -9.327000 20.662000 21.351000 115 " " V B 2 "VAL " " C " 6 0 2 1 5043 14.38 + 5043 15 -8.480000 21.271000 22.005000 115 " " V B 2 "VAL " " O " 8 0 2 1 5044 8.89 + 5044 3 -10.362000 19.386000 23.277000 115 " " V B 2 "VAL " " CB " 6 0 2 1 5045 8.89 + 5045 3 -11.515000 20.405000 23.402000 115 " " V B 2 "VAL " " CG1" 6 0 2 1 5046 8.89 + 5046 3 -10.835000 18.014000 23.792000 115 " " V B 2 "VAL " " CG2" 6 0 2 1 5047 8.89 + 5047 43 -7.972000 18.428000 22.429000 115 " " V B 2 "VAL " " H " 1 0 2 1 5048 14.38 + 5048 41 -10.628000 18.937000 21.209000 115 " " V B 2 "VAL " " HA " 1 0 2 1 5049 14.38 + 5049 41 -9.561000 19.712000 23.943000 115 " " V B 2 "VAL " " HB " 1 0 2 1 5050 8.89 + 5050 41 -11.938000 20.403000 24.405000 115 " " V B 2 "VAL " "HG11" 1 0 2 1 5051 8.89 + 5051 41 -11.187000 21.426000 23.206000 115 " " V B 2 "VAL " "HG12" 1 0 2 1 5052 8.89 + 5052 41 -12.320000 20.173000 22.704000 115 " " V B 2 "VAL " "HG13" 1 0 2 1 5053 8.89 + 5053 41 -11.265000 18.100000 24.788000 115 " " V B 2 "VAL " "HG21" 1 0 2 1 5054 8.89 + 5054 41 -11.600000 17.587000 23.141000 115 " " V B 2 "VAL " "HG22" 1 0 2 1 5055 8.89 + 5055 41 -10.014000 17.299000 23.856000 115 " " V B 2 "VAL " "HG23" 1 0 2 1 5056 8.89 + 5056 25 -9.859000 21.111000 20.204000 116 " " S B 2 "SER " " N " 7 0 0 1 5057 11.61 + 5057 3 -9.486000 22.366000 19.550000 116 " " S B 2 "SER " " CA " 6 0 0 1 5058 11.61 + 5058 2 -10.571000 22.773000 18.540000 116 " " S B 2 "SER " " C " 6 0 0 1 5059 11.61 + 5059 15 -11.297000 21.909000 18.051000 116 " " S B 2 "SER " " O " 8 0 0 1 5060 42.69 + 5060 3 -8.105000 22.202000 18.868000 116 " " S B 2 "SER " " CB " 6 0 0 1 5061 42.69 + 5061 16 -7.626000 23.429000 18.351000 116 " " S B 2 "SER " " OG " 8 0 0 1 5062 42.69 + 5062 43 -10.563000 20.558000 19.729000 116 " " S B 2 "SER " " H " 1 0 0 1 5063 11.61 + 5063 41 -9.427000 23.144000 20.313000 116 " " S B 2 "SER " " HA " 1 0 0 1 5064 11.61 + 5064 41 -8.159000 21.475000 18.056000 116 " " S B 2 "SER " " HB3" 1 0 0 1 5065 42.69 + 5065 41 -7.360000 21.829000 19.571000 116 " " S B 2 "SER " " HB2" 1 0 0 1 5066 42.69 + 5066 42 -7.230000 23.930000 19.069000 116 " " S B 2 "SER " " HG " 1 0 0 1 5067 42.69 + 5067 25 -10.646000 24.078000 18.231000 117 " " S B 2 "SER " " N " 7 0 0 1 5068 43.46 + 5068 3 -11.504000 24.643000 17.185000 117 " " S B 2 "SER " " CA " 6 0 0 1 5069 43.46 + 5069 2 -10.841000 24.629000 15.797000 117 " " S B 2 "SER " " C " 6 0 0 1 5070 43.46 + 5070 15 -11.561000 24.584000 14.798000 117 " " S B 2 "SER " " O " 8 0 0 1 5071 78.27 + 5071 3 -11.931000 26.067000 17.593000 117 " " S B 2 "SER " " CB " 6 0 0 1 5072 78.27 + 5072 16 -10.866000 26.996000 17.507000 117 " " S B 2 "SER " " OG " 8 0 0 1 5073 78.27 + 5073 43 -10.018000 24.731000 18.678000 117 " " S B 2 "SER " " H " 1 0 0 1 5074 43.46 + 5074 41 -12.415000 24.049000 17.122000 117 " " S B 2 "SER " " HA " 1 0 0 1 5075 43.46 + 5075 41 -12.333000 26.072000 18.607000 117 " " S B 2 "SER " " HB3" 1 0 0 1 5076 78.27 + 5076 41 -12.732000 26.414000 16.940000 117 " " S B 2 "SER " " HB2" 1 0 0 1 5077 78.27 + 5077 42 -11.193000 27.863000 17.760000 117 " " S B 2 "SER " " HG " 1 0 0 1 5078 78.27 + 5078 25 -9.495000 24.662000 15.765000 118 " " A B 2 "ALA " " N " 7 0 0 1 5079 38.41 + 5079 3 -8.682000 24.636000 14.554000 118 " " A B 2 "ALA " " CA " 6 0 0 1 5080 38.41 + 5080 2 -8.936000 23.364000 13.742000 118 " " A B 2 "ALA " " C " 6 0 0 1 5081 38.41 + 5081 15 -8.958000 22.274000 14.312000 118 " " A B 2 "ALA " " O " 8 0 0 1 5082 29.88 + 5082 3 -7.207000 24.741000 14.939000 118 " " A B 2 "ALA " " CB " 6 0 0 1 5083 29.88 + 5083 43 -8.982000 24.678000 16.635000 118 " " A B 2 "ALA " " H " 1 0 0 1 5084 38.41 + 5084 41 -8.948000 25.509000 13.953000 118 " " A B 2 "ALA " " HA " 1 0 0 1 5085 38.41 + 5085 41 -6.594000 24.737000 14.040000 118 " " A B 2 "ALA " " HB1" 1 0 0 1 5086 29.88 + 5086 41 -6.997000 25.665000 15.478000 118 " " A B 2 "ALA " " HB2" 1 0 0 1 5087 29.88 + 5087 41 -6.888000 23.907000 15.565000 118 " " A B 2 "ALA " " HB3" 1 0 0 1 5088 29.88 + 5088 25 -9.175000 23.541000 12.438000 119 " " K B 2 "LYS " " N " 7 0 0 1 5089 35.04 + 5089 3 -9.558000 22.466000 11.530000 119 " " K B 2 "LYS " " CA " 6 0 0 1 5090 35.04 + 5090 2 -8.383000 21.539000 11.188000 119 " " K B 2 "LYS " " C " 6 0 0 1 5091 35.04 + 5091 15 -7.224000 21.954000 11.242000 119 " " K B 2 "LYS " " O " 8 0 0 1 5092 62.24 + 5092 3 -10.227000 23.082000 10.284000 119 " " K B 2 "LYS " " CB " 6 0 0 1 5093 62.24 + 5093 3 -9.315000 23.970000 9.420000 119 " " K B 2 "LYS " " CG " 6 0 0 1 5094 62.24 + 5094 3 -10.109000 24.745000 8.356000 119 " " K B 2 "LYS " " CD " 6 0 0 1 5095 62.24 + 5095 3 -9.228000 25.610000 7.443000 119 " " K B 2 "LYS " " CE " 6 0 0 1 5096 62.24 + 5096 32 -8.502000 26.647000 8.198000 119 " " K B 2 "LYS " " NZ " 7 1 0 1 5097 62.24 + 5097 43 -9.132000 24.468000 12.044000 119 " " K B 2 "LYS " " H " 1 0 0 1 5098 35.04 + 5098 41 -10.311000 21.863000 12.036000 119 " " K B 2 "LYS " " HA " 1 0 0 1 5099 35.04 + 5099 41 -11.089000 23.664000 10.613000 119 " " K B 2 "LYS " " HB3" 1 0 0 1 5100 62.24 + 5100 41 -10.632000 22.285000 9.659000 119 " " K B 2 "LYS " " HB2" 1 0 0 1 5101 62.24 + 5101 41 -8.560000 23.352000 8.931000 119 " " K B 2 "LYS " " HG3" 1 0 0 1 5102 62.24 + 5102 41 -8.771000 24.671000 10.054000 119 " " K B 2 "LYS " " HG2" 1 0 0 1 5103 62.24 + 5103 41 -10.854000 25.375000 8.844000 119 " " K B 2 "LYS " " HD3" 1 0 0 1 5104 62.24 + 5104 41 -10.670000 24.040000 7.742000 119 " " K B 2 "LYS " " HD2" 1 0 0 1 5105 62.24 + 5105 41 -9.844000 26.097000 6.686000 119 " " K B 2 "LYS " " HE3" 1 0 0 1 5106 62.24 + 5106 41 -8.506000 24.987000 6.915000 119 " " K B 2 "LYS " " HE2" 1 0 0 1 5107 62.24 + 5107 44 -7.907000 26.207000 8.886000 119 " " K B 2 "LYS " " HZ1" 1 0 0 1 5108 62.24 + 5108 44 -7.933000 27.190000 7.564000 119 " " K B 2 "LYS " " HZ2" 1 0 0 1 5109 62.24 + 5109 44 -9.161000 27.255000 8.663000 119 " " K B 2 "LYS " " HZ3" 1 0 0 1 5110 62.24 + 5110 25 -8.735000 20.298000 10.817000 120 " " T B 2 "THR " " N " 7 0 0 1 5111 12.37 + 5111 3 -7.814000 19.270000 10.343000 120 " " T B 2 "THR " " CA " 6 0 0 1 5112 12.37 + 5112 2 -7.048000 19.738000 9.092000 120 " " T B 2 "THR " " C " 6 0 0 1 5113 12.37 + 5113 15 -7.647000 20.338000 8.197000 120 " " T B 2 "THR " " O " 8 0 0 1 5114 21.07 + 5114 3 -8.583000 17.977000 9.966000 120 " " T B 2 "THR " " CB " 6 0 0 1 5115 21.07 + 5115 16 -9.271000 17.490000 11.099000 120 " " T B 2 "THR " " OG1" 8 0 0 1 5116 21.07 + 5116 3 -7.722000 16.825000 9.427000 120 " " T B 2 "THR " " CG2" 6 0 0 1 5117 21.07 + 5117 43 -9.710000 20.038000 10.804000 120 " " T B 2 "THR " " H " 1 0 0 1 5118 12.37 + 5118 41 -7.109000 19.055000 11.148000 120 " " T B 2 "THR " " HA " 1 0 0 1 5119 12.37 + 5119 41 -9.341000 18.215000 9.218000 120 " " T B 2 "THR " " HB " 1 0 0 1 5120 21.07 + 5120 42 -9.571000 16.596000 10.914000 120 " " T B 2 "THR " " HG1" 1 0 0 1 5121 21.07 + 5121 41 -8.328000 15.930000 9.279000 120 " " T B 2 "THR " "HG21" 1 0 0 1 5122 21.07 + 5122 41 -7.272000 17.065000 8.464000 120 " " T B 2 "THR " "HG22" 1 0 0 1 5123 21.07 + 5123 41 -6.920000 16.573000 10.122000 120 " " T B 2 "THR " "HG23" 1 0 0 1 5124 21.07 + 5124 25 -5.740000 19.455000 9.072000 121 " " T B 2 "THR " " N " 7 0 0 1 5125 10.39 + 5125 3 -4.848000 19.790000 7.974000 121 " " T B 2 "THR " " CA " 6 0 0 1 5126 10.39 + 5126 2 -3.945000 18.564000 7.713000 121 " " T B 2 "THR " " C " 6 0 0 1 5127 10.39 + 5127 15 -3.207000 18.181000 8.621000 121 " " T B 2 "THR " " O " 8 0 0 1 5128 20.05 + 5128 3 -3.945000 21.001000 8.335000 121 " " T B 2 "THR " " CB " 6 0 0 1 5129 20.05 + 5129 16 -4.741000 22.095000 8.751000 121 " " T B 2 "THR " " OG1" 8 0 0 1 5130 20.05 + 5130 3 -3.112000 21.489000 7.138000 121 " " T B 2 "THR " " CG2" 6 0 0 1 5131 20.05 + 5131 43 -5.319000 18.961000 9.850000 121 " " T B 2 "THR " " H " 1 0 0 1 5132 10.39 + 5132 41 -5.431000 20.060000 7.097000 121 " " T B 2 "THR " " HA " 1 0 0 1 5133 10.39 + 5133 41 -3.278000 20.757000 9.164000 121 " " T B 2 "THR " " HB " 1 0 0 1 5134 20.05 + 5134 42 -5.219000 21.845000 9.547000 121 " " T B 2 "THR " " HG1" 1 0 0 1 5135 20.05 + 5135 41 -2.552000 22.391000 7.381000 121 " " T B 2 "THR " "HG21" 1 0 0 1 5136 20.05 + 5136 41 -2.393000 20.738000 6.812000 121 " " T B 2 "THR " "HG22" 1 0 0 1 5137 20.05 + 5137 41 -3.750000 21.723000 6.285000 121 " " T B 2 "THR " "HG23" 1 0 0 1 5138 20.05 + 5138 25 -4.026000 17.932000 6.518000 122 " " P B 2 "PRO " " N " 7 0 0 1 5139 23.24 + 5139 3 -3.137000 16.803000 6.184000 122 " " P B 2 "PRO " " CA " 6 0 0 1 5140 23.24 + 5140 2 -1.661000 17.238000 5.992000 122 " " P B 2 "PRO " " C " 6 0 0 1 5141 23.24 + 5141 15 -1.405000 18.419000 5.748000 122 " " P B 2 "PRO " " O " 8 0 0 1 5142 32.25 + 5142 3 -3.758000 16.235000 4.896000 122 " " P B 2 "PRO " " CB " 6 0 0 1 5143 32.25 + 5143 3 -4.443000 17.420000 4.240000 122 " " P B 2 "PRO " " CG " 6 0 0 1 5144 32.25 + 5144 3 -4.950000 18.234000 5.422000 122 " " P B 2 "PRO " " CD " 6 0 0 1 5145 32.25 + 5145 41 -3.200000 16.059000 6.977000 122 " " P B 2 "PRO " " HA " 1 0 0 1 5146 23.24 + 5146 41 -4.502000 15.482000 5.158000 122 " " P B 2 "PRO " " HB3" 1 0 0 1 5147 32.25 + 5147 41 -3.037000 15.757000 4.230000 122 " " P B 2 "PRO " " HB2" 1 0 0 1 5148 32.25 + 5148 41 -5.229000 17.137000 3.539000 122 " " P B 2 "PRO " " HG3" 1 0 0 1 5149 32.25 + 5149 41 -3.701000 18.003000 3.693000 122 " " P B 2 "PRO " " HG2" 1 0 0 1 5150 32.25 + 5150 41 -4.972000 19.291000 5.155000 122 " " P B 2 "PRO " " HD2" 1 0 0 1 5151 32.25 + 5151 41 -5.954000 17.922000 5.711000 122 " " P B 2 "PRO " " HD3" 1 0 0 1 5152 32.25 + 5152 25 -0.713000 16.281000 6.109000 123 " " P B 2 "PRO " " N " 7 0 0 1 5153 15.53 + 5153 3 0.728000 16.571000 6.025000 123 " " P B 2 "PRO " " CA " 6 0 0 1 5154 15.53 + 5154 2 1.217000 16.918000 4.615000 123 " " P B 2 "PRO " " C " 6 0 0 1 5155 15.53 + 5155 15 0.636000 16.473000 3.626000 123 " " P B 2 "PRO " " O " 8 0 0 1 5156 15.98 + 5156 3 1.383000 15.269000 6.520000 123 " " P B 2 "PRO " " CB " 6 0 0 1 5157 15.98 + 5157 3 0.390000 14.182000 6.154000 123 " " P B 2 "PRO " " CG " 6 0 0 1 5158 15.98 + 5158 3 -0.945000 14.868000 6.407000 123 " " P B 2 "PRO " " CD " 6 0 0 1 5159 15.98 + 5159 41 0.988000 17.408000 6.673000 123 " " P B 2 "PRO " " HA " 1 0 0 1 5160 15.53 + 5160 41 1.506000 15.304000 7.603000 123 " " P B 2 "PRO " " HB3" 1 0 0 1 5161 15.98 + 5161 41 2.362000 15.080000 6.078000 123 " " P B 2 "PRO " " HB2" 1 0 0 1 5162 15.98 + 5162 41 0.528000 13.261000 6.720000 123 " " P B 2 "PRO " " HG3" 1 0 0 1 5163 15.98 + 5163 41 0.484000 13.938000 5.095000 123 " " P B 2 "PRO " " HG2" 1 0 0 1 5164 15.98 + 5164 41 -1.746000 14.416000 5.823000 123 " " P B 2 "PRO " " HD2" 1 0 0 1 5165 15.98 + 5165 41 -1.202000 14.801000 7.461000 123 " " P B 2 "PRO " " HD3" 1 0 0 1 5166 15.98 + 5166 25 2.325000 17.671000 4.584000 124 " " S B 2 "SER " " N " 7 0 0 1 5167 16.89 + 5167 3 3.120000 17.936000 3.393000 124 " " S B 2 "SER " " CA " 6 0 0 1 5168 16.89 + 5168 2 4.471000 17.251000 3.620000 124 " " S B 2 "SER " " C " 6 0 0 1 5169 16.89 + 5169 15 5.321000 17.792000 4.330000 124 " " S B 2 "SER " " O " 8 0 0 1 5170 36.06 + 5170 3 3.273000 19.457000 3.205000 124 " " S B 2 "SER " " CB " 6 0 0 1 5171 36.06 + 5171 16 2.014000 20.050000 2.963000 124 " " S B 2 "SER " " OG " 8 0 0 1 5172 36.06 + 5172 43 2.714000 18.022000 5.449000 124 " " S B 2 "SER " " H " 1 0 0 1 5173 16.89 + 5173 41 2.656000 17.518000 2.497000 124 " " S B 2 "SER " " HA " 1 0 0 1 5174 16.89 + 5174 41 3.906000 19.658000 2.341000 124 " " S B 2 "SER " " HB3" 1 0 0 1 5175 36.06 + 5175 41 3.746000 19.941000 4.059000 124 " " S B 2 "SER " " HB2" 1 0 0 1 5176 36.06 + 5176 42 1.466000 19.926000 3.742000 124 " " S B 2 "SER " " HG " 1 0 0 1 5177 36.06 + 5177 25 4.613000 16.041000 3.057000 125 " " V B 2 "VAL " " N " 7 0 2 1 5178 9.65 + 5178 3 5.800000 15.207000 3.217000 125 " " V B 2 "VAL " " CA " 6 0 2 1 5179 9.65 + 5179 2 6.806000 15.559000 2.112000 125 " " V B 2 "VAL " " C " 6 0 2 1 5180 9.65 + 5180 15 6.538000 15.306000 0.936000 125 " " V B 2 "VAL " " O " 8 0 2 1 5181 17.66 + 5181 3 5.474000 13.694000 3.110000 125 " " V B 2 "VAL " " CB " 6 0 2 1 5182 17.66 + 5182 3 6.694000 12.805000 3.430000 125 " " V B 2 "VAL " " CG1" 6 0 2 1 5183 17.66 + 5183 3 4.293000 13.309000 4.014000 125 " " V B 2 "VAL " " CG2" 6 0 2 1 5184 17.66 + 5184 43 3.868000 15.656000 2.494000 125 " " V B 2 "VAL " " H " 1 0 2 1 5185 9.65 + 5185 41 6.250000 15.388000 4.195000 125 " " V B 2 "VAL " " HA " 1 0 2 1 5186 9.65 + 5186 41 5.172000 13.463000 2.088000 125 " " V B 2 "VAL " " HB " 1 0 2 1 5187 17.66 + 5187 41 6.440000 11.749000 3.337000 125 " " V B 2 "VAL " "HG11" 1 0 2 1 5188 17.66 + 5188 41 7.536000 12.989000 2.765000 125 " " V B 2 "VAL " "HG12" 1 0 2 1 5189 17.66 + 5189 41 7.051000 12.976000 4.445000 125 " " V B 2 "VAL " "HG13" 1 0 2 1 5190 17.66 + 5190 41 4.122000 12.238000 3.974000 125 " " V B 2 "VAL " "HG21" 1 0 2 1 5191 17.66 + 5191 41 4.478000 13.590000 5.050000 125 " " V B 2 "VAL " "HG22" 1 0 2 1 5192 17.66 + 5192 41 3.365000 13.789000 3.701000 125 " " V B 2 "VAL " "HG23" 1 0 2 1 5193 17.66 + 5193 25 7.936000 16.146000 2.526000 126 " " Y B 2 "TYR " " N " 7 0 2 1 5194 2.48 + 5194 3 9.013000 16.565000 1.637000 126 " " Y B 2 "TYR " " CA " 6 0 2 1 5195 2.48 + 5195 2 10.213000 15.622000 1.834000 126 " " Y B 2 "TYR " " C " 6 0 2 1 5196 2.48 + 5196 15 10.602000 15.396000 2.981000 126 " " Y B 2 "TYR " " O " 8 0 2 1 5197 2.48 + 5197 3 9.401000 18.011000 1.993000 126 " " Y B 2 "TYR " " CB " 6 0 2 1 5198 2.48 + 5198 2 8.289000 19.035000 1.844000 126 " " Y B 2 "TYR " " CG " 6 0 2 1 5199 2.48 + 5199 2 7.506000 19.089000 0.668000 126 " " Y B 2 "TYR " " CD1" 6 0 2 1 5200 2.48 + 5200 2 8.046000 19.956000 2.883000 126 " " Y B 2 "TYR " " CD2" 6 0 2 1 5201 2.48 + 5201 2 6.492000 20.056000 0.534000 126 " " Y B 2 "TYR " " CE1" 6 0 2 1 5202 2.48 + 5202 2 7.038000 20.929000 2.743000 126 " " Y B 2 "TYR " " CE2" 6 0 2 1 5203 2.48 + 5203 2 6.267000 20.985000 1.568000 126 " " Y B 2 "TYR " " CZ " 6 0 2 1 5204 2.48 + 5204 16 5.309000 21.948000 1.435000 126 " " Y B 2 "TYR " " OH " 8 0 2 1 5205 2.48 + 5205 43 8.068000 16.342000 3.510000 126 " " Y B 2 "TYR " " H " 1 0 2 1 5206 2.48 + 5206 41 8.653000 16.551000 0.612000 126 " " Y B 2 "TYR " " HA " 1 0 2 1 5207 2.48 + 5207 41 10.228000 18.333000 1.360000 126 " " Y B 2 "TYR " " HB3" 1 0 2 1 5208 2.48 + 5208 41 9.776000 18.054000 3.015000 126 " " Y B 2 "TYR " " HB2" 1 0 2 1 5209 2.48 + 5209 41 7.684000 18.402000 -0.146000 126 " " Y B 2 "TYR " " HD1" 1 0 2 1 5210 2.48 + 5210 41 8.635000 19.926000 3.788000 126 " " Y B 2 "TYR " " HD2" 1 0 2 1 5211 2.48 + 5211 41 5.906000 20.096000 -0.372000 126 " " Y B 2 "TYR " " HE1" 1 0 2 1 5212 2.48 + 5212 41 6.858000 21.639000 3.534000 126 " " Y B 2 "TYR " " HE2" 1 0 2 1 5213 2.48 + 5213 42 4.855000 21.925000 0.588000 126 " " Y B 2 "TYR " " HH " 1 0 2 1 5214 2.48 + 5214 25 10.776000 15.080000 0.729000 127 " " P B 2 "PRO " " N " 7 0 0 1 5215 12.92 + 5215 3 11.943000 14.189000 0.795000 127 " " P B 2 "PRO " " CA " 6 0 0 1 5216 12.92 + 5216 2 13.220000 14.957000 1.179000 127 " " P B 2 "PRO " " C " 6 0 0 1 5217 12.92 + 5217 15 13.404000 16.088000 0.732000 127 " " P B 2 "PRO " " O " 8 0 0 1 5218 10.41 + 5218 3 12.022000 13.629000 -0.636000 127 " " P B 2 "PRO " " CB " 6 0 0 1 5219 10.41 + 5219 3 11.476000 14.726000 -1.526000 127 " " P B 2 "PRO " " CG " 6 0 0 1 5220 10.41 + 5220 3 10.401000 15.365000 -0.660000 127 " " P B 2 "PRO " " CD " 6 0 0 1 5221 10.41 + 5221 41 11.773000 13.380000 1.508000 127 " " P B 2 "PRO " " HA " 1 0 0 1 5222 12.92 + 5222 41 11.380000 12.751000 -0.718000 127 " " P B 2 "PRO " " HB3" 1 0 0 1 5223 10.41 + 5223 41 13.028000 13.333000 -0.939000 127 " " P B 2 "PRO " " HB2" 1 0 0 1 5224 10.41 + 5224 41 11.100000 14.365000 -2.483000 127 " " P B 2 "PRO " " HG3" 1 0 0 1 5225 10.41 + 5225 41 12.261000 15.455000 -1.730000 127 " " P B 2 "PRO " " HG2" 1 0 0 1 5226 10.41 + 5226 41 10.327000 16.433000 -0.872000 127 " " P B 2 "PRO " " HD2" 1 0 0 1 5227 10.41 + 5227 41 9.437000 14.906000 -0.856000 127 " " P B 2 "PRO " " HD3" 1 0 0 1 5228 10.41 + 5228 25 14.074000 14.326000 1.995000 128 " " L B 2 "LEU " " N " 7 0 0 1 5229 8.56 + 5229 3 15.386000 14.850000 2.363000 128 " " L B 2 "LEU " " CA " 6 0 0 1 5230 8.56 + 5230 2 16.442000 13.864000 1.844000 128 " " L B 2 "LEU " " C " 6 0 0 1 5231 8.56 + 5231 15 17.031000 13.112000 2.620000 128 " " L B 2 "LEU " " O " 8 0 0 1 5232 30.29 + 5232 3 15.490000 15.073000 3.891000 128 " " L B 2 "LEU " " CB " 6 0 0 1 5233 30.29 + 5233 3 14.356000 15.874000 4.562000 128 " " L B 2 "LEU " " CG " 6 0 0 1 5234 30.29 + 5234 3 14.515000 15.793000 6.092000 128 " " L B 2 "LEU " " CD1" 6 0 0 1 5235 30.29 + 5235 3 14.273000 17.330000 4.052000 128 " " L B 2 "LEU " " CD2" 6 0 0 1 5236 30.29 + 5236 43 13.852000 13.405000 2.353000 128 " " L B 2 "LEU " " H " 1 0 0 1 5237 8.56 + 5237 41 15.581000 15.806000 1.873000 128 " " L B 2 "LEU " " HA " 1 0 0 1 5238 8.56 + 5238 41 16.434000 15.570000 4.108000 128 " " L B 2 "LEU " " HB3" 1 0 0 1 5239 30.29 + 5239 41 15.558000 14.112000 4.393000 128 " " L B 2 "LEU " " HB2" 1 0 0 1 5240 30.29 + 5240 41 13.404000 15.395000 4.328000 128 " " L B 2 "LEU " " HG " 1 0 0 1 5241 30.29 + 5241 41 14.240000 16.713000 6.598000 128 " " L B 2 "LEU " "HD11" 1 0 0 1 5242 30.29 + 5242 41 13.885000 15.008000 6.508000 128 " " L B 2 "LEU " "HD12" 1 0 0 1 5243 30.29 + 5243 41 15.542000 15.567000 6.380000 128 " " L B 2 "LEU " "HD13" 1 0 0 1 5244 30.29 + 5244 41 13.332000 17.499000 3.528000 128 " " L B 2 "LEU " "HD21" 1 0 0 1 5245 30.29 + 5245 41 14.331000 18.065000 4.855000 128 " " L B 2 "LEU " "HD22" 1 0 0 1 5246 30.29 + 5246 41 15.077000 17.567000 3.355000 128 " " L B 2 "LEU " "HD23" 1 0 0 1 5247 30.29 + 5247 25 16.664000 13.892000 0.522000 129 " " A B 2 "ALA " " N " 7 0 0 1 5248 20.11 + 5248 3 17.811000 13.247000 -0.112000 129 " " A B 2 "ALA " " CA " 6 0 0 1 5249 20.11 + 5249 2 19.027000 14.192000 0.007000 129 " " A B 2 "ALA " " C " 6 0 0 1 5250 20.11 + 5250 15 18.843000 15.405000 -0.115000 129 " " A B 2 "ALA " " O " 8 0 0 1 5251 19.95 + 5251 3 17.465000 12.984000 -1.585000 129 " " A B 2 "ALA " " CB " 6 0 0 1 5252 19.95 + 5252 43 16.125000 14.516000 -0.061000 129 " " A B 2 "ALA " " H " 1 0 0 1 5253 20.11 + 5253 41 17.981000 12.292000 0.382000 129 " " A B 2 "ALA " " HA " 1 0 0 1 5254 20.11 + 5254 41 18.290000 12.489000 -2.098000 129 " " A B 2 "ALA " " HB1" 1 0 0 1 5255 19.95 + 5255 41 16.592000 12.336000 -1.673000 129 " " A B 2 "ALA " " HB2" 1 0 0 1 5256 19.95 + 5256 41 17.247000 13.909000 -2.121000 129 " " A B 2 "ALA " " HB3" 1 0 0 1 5257 19.95 + 5257 25 20.240000 13.649000 0.261000 130 " " P B 2 "PRO " " N " 7 0 0 1 5258 20.62 + 5258 3 21.465000 14.463000 0.366000 130 " " P B 2 "PRO " " CA " 6 0 0 1 5259 20.62 + 5259 2 21.793000 15.221000 -0.936000 130 " " P B 2 "PRO " " C " 6 0 0 1 5260 20.62 + 5260 15 21.649000 14.655000 -2.020000 130 " " P B 2 "PRO " " O " 8 0 0 1 5261 29.48 + 5261 3 22.548000 13.429000 0.723000 130 " " P B 2 "PRO " " CB " 6 0 0 1 5262 29.48 + 5262 3 22.034000 12.113000 0.171000 130 " " P B 2 "PRO " " CG " 6 0 0 1 5263 29.48 + 5263 3 20.537000 12.224000 0.404000 130 " " P B 2 "PRO " " CD " 6 0 0 1 5264 29.48 + 5264 41 21.360000 15.182000 1.182000 130 " " P B 2 "PRO " " HA " 1 0 0 1 5265 20.62 + 5265 41 22.637000 13.362000 1.809000 130 " " P B 2 "PRO " " HB3" 1 0 0 1 5266 29.48 + 5266 41 23.533000 13.674000 0.334000 130 " " P B 2 "PRO " " HB2" 1 0 0 1 5267 29.48 + 5267 41 22.479000 11.241000 0.644000 130 " " P B 2 "PRO " " HG3" 1 0 0 1 5268 29.48 + 5268 41 22.238000 12.060000 -0.899000 130 " " P B 2 "PRO " " HG2" 1 0 0 1 5269 29.48 + 5269 41 19.991000 11.594000 -0.295000 130 " " P B 2 "PRO " " HD2" 1 0 0 1 5270 29.48 + 5270 41 20.284000 11.924000 1.422000 130 " " P B 2 "PRO " " HD3" 1 0 0 1 5271 29.48 + 5271 25 22.242000 16.483000 -0.800000 131 " " G B 2 "GLY " " N " 7 0 0 1 5272 53.34 + 5272 3 22.688000 17.331000 -1.919000 131 " " G B 2 "GLY " " CA " 6 0 0 1 5273 53.34 + 5273 2 24.001000 16.835000 -2.565000 131 " " G B 2 "GLY " " C " 6 0 0 1 5274 53.34 + 5274 15 24.378000 17.313000 -3.632000 131 " " G B 2 "GLY " " O " 8 0 0 1 5275 66.58 + 5275 43 22.317000 16.880000 0.126000 131 " " G B 2 "GLY " " H " 1 0 0 1 5276 53.34 + 5276 41 22.841000 18.346000 -1.551000 131 " " G B 2 "GLY " " HA3" 1 0 0 1 5277 53.34 + 5277 41 21.906000 17.382000 -2.678000 131 " " G B 2 "GLY " " HA2" 1 0 0 1 5278 53.34 + 5278 25 24.659000 15.868000 -1.909000 132 " " S B 2 "SER " " N " 7 0 0 1 5279 93.55 + 5279 3 25.849000 15.101000 -2.258000 132 " " S B 2 "SER " " CA " 6 0 0 1 5280 93.55 + 5280 2 26.123000 14.218000 -1.029000 132 " " S B 2 "SER " " C " 6 0 0 1 5281 93.55 + 5281 15 25.843000 14.657000 0.090000 132 " " S B 2 "SER " " O " 8 0 0 1 5282 87.1 + 5282 3 27.049000 16.022000 -2.587000 132 " " S B 2 "SER " " CB " 6 0 0 1 5283 87.1 + 5283 16 28.225000 15.279000 -2.847000 132 " " S B 2 "SER " " OG " 8 0 0 1 5284 87.1 + 5284 43 24.259000 15.579000 -1.028000 132 " " S B 2 "SER " " H " 1 0 0 1 5285 93.55 + 5285 41 25.614000 14.468000 -3.115000 132 " " S B 2 "SER " " HA " 1 0 0 1 5286 93.55 + 5286 41 27.246000 16.708000 -1.762000 132 " " S B 2 "SER " " HB3" 1 0 0 1 5287 87.1 + 5287 41 26.846000 16.632000 -3.467000 132 " " S B 2 "SER " " HB2" 1 0 0 1 5288 87.1 + 5288 42 28.564000 14.936000 -2.016000 132 " " S B 2 "SER " " HG " 1 0 0 1 5289 87.1 + 5289 25 26.666000 13.006000 -1.246000 133 " " A B 2 "ALA " " N " 7 0 0 1 5290 80.91 + 5290 3 26.993000 12.029000 -0.198000 133 " " A B 2 "ALA " " CA " 6 0 0 1 5291 80.91 + 5291 2 27.826000 12.641000 0.944000 133 " " A B 2 "ALA " " C " 6 0 0 1 5292 80.91 + 5292 15 28.937000 13.114000 0.701000 133 " " A B 2 "ALA " " O " 8 0 0 1 5293 63.75 + 5293 3 27.716000 10.830000 -0.830000 133 " " A B 2 "ALA " " CB " 6 0 0 1 5294 63.75 + 5294 43 26.882000 12.725000 -2.192000 133 " " A B 2 "ALA " " H " 1 0 0 1 5295 80.91 + 5295 41 26.047000 11.670000 0.213000 133 " " A B 2 "ALA " " HA " 1 0 0 1 5296 80.91 + 5296 41 27.964000 10.078000 -0.081000 133 " " A B 2 "ALA " " HB1" 1 0 0 1 5297 63.75 + 5297 41 27.089000 10.347000 -1.581000 133 " " A B 2 "ALA " " HB2" 1 0 0 1 5298 63.75 + 5298 41 28.644000 11.132000 -1.318000 133 " " A B 2 "ALA " " HB3" 1 0 0 1 5299 63.75 + 5299 25 27.223000 12.687000 2.143000 134 " " A B 2 "ALA " " N " 7 0 0 1 5300 87.5 + 5300 3 27.754000 13.376000 3.318000 134 " " A B 2 "ALA " " CA " 6 0 0 1 5301 87.5 + 5301 2 28.959000 12.648000 3.924000 134 " " A B 2 "ALA " " C " 6 0 0 1 5302 87.5 + 5302 15 28.942000 11.418000 3.998000 134 " " A B 2 "ALA " " O " 8 0 0 1 5303 70.8 + 5303 3 26.629000 13.497000 4.360000 134 " " A B 2 "ALA " " CB " 6 0 0 1 5304 70.8 + 5304 43 26.306000 12.279000 2.251000 134 " " A B 2 "ALA " " H " 1 0 0 1 5305 87.5 + 5305 41 28.059000 14.381000 3.017000 134 " " A B 2 "ALA " " HA " 1 0 0 1 5306 87.5 + 5306 41 26.973000 14.004000 5.261000 134 " " A B 2 "ALA " " HB1" 1 0 0 1 5307 70.8 + 5307 41 25.789000 14.070000 3.964000 134 " " A B 2 "ALA " " HB2" 1 0 0 1 5308 70.8 + 5308 41 26.250000 12.518000 4.658000 134 " " A B 2 "ALA " " HB3" 1 0 0 1 5309 70.8 + 5309 25 29.955000 13.422000 4.391000 135 " " Q B 2 "GLN " " N " 7 0 0 1 5310 72.4 + 5310 3 31.069000 12.879000 5.166000 135 " " Q B 2 "GLN " " CA " 6 0 0 1 5311 72.4 + 5311 2 30.650000 12.893000 6.646000 135 " " Q B 2 "GLN " " C " 6 0 0 1 5312 72.4 + 5312 15 30.626000 13.950000 7.276000 135 " " Q B 2 "GLN " " O " 8 0 0 1 5313 57.84 + 5313 3 32.373000 13.677000 4.909000 135 " " Q B 2 "GLN " " CB " 6 0 0 1 5314 57.84 + 5314 3 33.685000 12.877000 5.125000 135 " " Q B 2 "GLN " " CG " 6 0 0 1 5315 57.84 + 5315 2 33.723000 11.987000 6.376000 135 " " Q B 2 "GLN " " CD " 6 0 0 1 5316 57.84 + 5316 15 33.849000 12.483000 7.493000 135 " " Q B 2 "GLN " " OE1" 8 0 0 1 5317 57.84 + 5317 25 33.584000 10.671000 6.197000 135 " " Q B 2 "GLN " " NE2" 7 0 0 1 5318 57.84 + 5318 43 29.924000 14.424000 4.278000 135 " " Q B 2 "GLN " " H " 1 0 0 1 5319 72.4 + 5319 41 31.253000 11.850000 4.849000 135 " " Q B 2 "GLN " " HA " 1 0 0 1 5320 72.4 + 5320 41 32.397000 14.580000 5.521000 135 " " Q B 2 "GLN " " HB3" 1 0 0 1 5321 57.84 + 5321 41 32.378000 14.036000 3.879000 135 " " Q B 2 "GLN " " HB2" 1 0 0 1 5322 57.84 + 5322 41 34.533000 13.562000 5.155000 135 " " Q B 2 "GLN " " HG3" 1 0 0 1 5323 57.84 + 5323 41 33.850000 12.241000 4.254000 135 " " Q B 2 "GLN " " HG2" 1 0 0 1 5324 57.84 + 5324 43 33.595000 10.052000 6.995000 135 " " Q B 2 "GLN " "HE22" 1 0 0 1 5325 57.84 + 5325 43 33.479000 10.284000 5.271000 135 " " Q B 2 "GLN " "HE21" 1 0 0 1 5326 57.84 + 5326 25 30.358000 11.693000 7.155000 136 " " T B 2 "THR " " N " 7 0 0 1 5327 106.57 + 5327 3 30.025000 11.419000 8.549000 136 " " T B 2 "THR " " CA " 6 0 0 1 5328 106.57 + 5328 2 30.317000 9.947000 8.847000 136 " " T B 2 "THR " " C " 6 0 0 1 5329 106.57 + 5329 15 31.115000 9.659000 9.738000 136 " " T B 2 "THR " " O " 8 0 0 1 5330 63.64 + 5330 3 28.533000 11.680000 8.906000 136 " " T B 2 "THR " " CB " 6 0 0 1 5331 63.64 + 5331 16 27.694000 11.725000 7.762000 136 " " T B 2 "THR " " OG1" 8 0 0 1 5332 63.64 + 5332 3 28.361000 12.994000 9.650000 136 " " T B 2 "THR " " CG2" 6 0 0 1 5333 63.64 + 5333 43 30.394000 10.884000 6.551000 136 " " T B 2 "THR " " H " 1 0 0 1 5334 106.57 + 5334 41 30.678000 12.020000 9.186000 136 " " T B 2 "THR " " HA " 1 0 0 1 5335 106.57 + 5335 41 28.133000 10.889000 9.541000 136 " " T B 2 "THR " " HB " 1 0 0 1 5336 63.64 + 5336 42 26.798000 11.928000 8.046000 136 " " T B 2 "THR " " HG1" 1 0 0 1 5337 63.64 + 5337 41 27.315000 13.104000 9.924000 136 " " T B 2 "THR " "HG21" 1 0 0 1 5338 63.64 + 5338 41 28.947000 13.009000 10.569000 136 " " T B 2 "THR " "HG22" 1 0 0 1 5339 63.64 + 5339 41 28.665000 13.847000 9.047000 136 " " T B 2 "THR " "HG23" 1 0 0 1 5340 63.64 + 5340 25 29.676000 9.062000 8.074000 137 " " N B 2 "ASN " " N " 7 0 0 1 5341 82.21 + 5341 3 29.850000 7.613000 8.095000 137 " " N B 2 "ASN " " CA " 6 0 0 1 5342 82.21 + 5342 2 30.169000 7.134000 6.676000 137 " " N B 2 "ASN " " C " 6 0 0 1 5343 82.21 + 5343 15 30.074000 7.892000 5.708000 137 " " N B 2 "ASN " " O " 8 0 0 1 5344 89.58 + 5344 3 28.524000 6.975000 8.591000 137 " " N B 2 "ASN " " CB " 6 0 0 1 5345 89.58 + 5345 2 28.432000 6.707000 10.093000 137 " " N B 2 "ASN " " CG " 6 0 0 1 5346 89.58 + 5346 15 29.440000 6.514000 10.767000 137 " " N B 2 "ASN " " OD1" 8 0 0 1 5347 89.58 + 5347 25 27.206000 6.622000 10.612000 137 " " N B 2 "ASN " " ND2" 7 0 0 1 5348 89.58 + 5348 43 29.042000 9.404000 7.365000 137 " " N B 2 "ASN " " H " 1 0 0 1 5349 82.21 + 5349 41 30.684000 7.379000 8.759000 137 " " N B 2 "ASN " " HA " 1 0 0 1 5350 82.21 + 5350 41 28.416000 5.983000 8.158000 137 " " N B 2 "ASN " " HB3" 1 0 0 1 5351 89.58 + 5351 41 27.660000 7.544000 8.248000 137 " " N B 2 "ASN " " HB2" 1 0 0 1 5352 89.58 + 5352 43 27.089000 6.422000 11.594000 137 " " N B 2 "ASN " "HD22" 1 0 0 1 5353 89.58 + 5353 43 26.391000 6.767000 10.035000 137 " " N B 2 "ASN " "HD21" 1 0 0 1 5354 89.58 + 5354 25 30.486000 5.831000 6.597000 138 " " S B 2 "SER " " N " 7 0 0 1 5355 85.07 + 5355 3 30.424000 5.036000 5.374000 138 " " S B 2 "SER " " CA " 6 0 0 1 5356 85.07 + 5356 2 28.988000 4.998000 4.814000 138 " " S B 2 "SER " " C " 6 0 0 1 5357 85.07 + 5357 15 28.805000 5.251000 3.625000 138 " " S B 2 "SER " " O " 8 0 0 1 5358 71.64 + 5358 3 30.966000 3.622000 5.674000 138 " " S B 2 "SER " " CB " 6 0 0 1 5359 71.64 + 5359 16 30.928000 2.782000 4.538000 138 " " S B 2 "SER " " OG " 8 0 0 1 5360 71.64 + 5360 43 30.585000 5.303000 7.453000 138 " " S B 2 "SER " " H " 1 0 0 1 5361 85.07 + 5361 41 31.071000 5.505000 4.630000 138 " " S B 2 "SER " " HA " 1 0 0 1 5362 85.07 + 5362 41 30.394000 3.149000 6.474000 138 " " S B 2 "SER " " HB3" 1 0 0 1 5363 71.64 + 5363 41 31.999000 3.681000 6.020000 138 " " S B 2 "SER " " HB2" 1 0 0 1 5364 71.64 + 5364 42 30.011000 2.595000 4.320000 138 " " S B 2 "SER " " HG " 1 0 0 1 5365 71.64 + 5365 25 28.007000 4.731000 5.697000 139 " " M B 2 "MET " " N " 7 0 0 1 5366 58.43 + 5366 3 26.575000 4.806000 5.415000 139 " " M B 2 "MET " " CA " 6 0 0 1 5367 58.43 + 5367 2 26.074000 6.257000 5.274000 139 " " M B 2 "MET " " C " 6 0 0 1 5368 58.43 + 5368 15 26.605000 7.162000 5.917000 139 " " M B 2 "MET " " O " 8 0 0 1 5369 42.97 + 5369 3 25.773000 4.009000 6.474000 139 " " M B 2 "MET " " CB " 6 0 0 1 5370 42.97 + 5370 3 26.035000 4.308000 7.957000 139 " " M B 2 "MET " " CG " 6 0 0 1 5371 42.97 + 5371 49 27.308000 3.283000 8.740000 139 " " M B 2 "MET " " SD " 16 0 0 1 5372 42.97 + 5372 3 26.413000 1.708000 8.863000 139 " " M B 2 "MET " " CE " 6 0 0 1 5373 42.97 + 5373 43 28.250000 4.537000 6.658000 139 " " M B 2 "MET " " H " 1 0 0 1 5374 58.43 + 5374 41 26.415000 4.330000 4.449000 139 " " M B 2 "MET " " HA " 1 0 0 1 5375 58.43 + 5375 41 25.951000 2.949000 6.309000 139 " " M B 2 "MET " " HB3" 1 0 0 1 5376 42.97 + 5376 41 24.709000 4.152000 6.311000 139 " " M B 2 "MET " " HB2" 1 0 0 1 5377 42.97 + 5377 41 25.122000 4.126000 8.522000 139 " " M B 2 "MET " " HG3" 1 0 0 1 5378 42.97 + 5378 41 26.258000 5.362000 8.101000 139 " " M B 2 "MET " " HG2" 1 0 0 1 5379 42.97 + 5379 41 27.028000 0.972000 9.380000 139 " " M B 2 "MET " " HE1" 1 0 0 1 5380 42.97 + 5380 41 25.488000 1.838000 9.426000 139 " " M B 2 "MET " " HE2" 1 0 0 1 5381 42.97 + 5381 41 26.169000 1.314000 7.878000 139 " " M B 2 "MET " " HE3" 1 0 0 1 5382 42.97 + 5382 25 25.051000 6.430000 4.425000 140 " " V B 2 "VAL " " N " 7 0 2 1 5383 21.94 + 5383 3 24.420000 7.705000 4.096000 140 " " V B 2 "VAL " " CA " 6 0 2 1 5384 21.94 + 5384 2 23.122000 7.907000 4.903000 140 " " V B 2 "VAL " " C " 6 0 2 1 5385 21.94 + 5385 15 22.314000 6.984000 5.015000 140 " " V B 2 "VAL " " O " 8 0 2 1 5386 21.69 + 5386 3 24.117000 7.776000 2.567000 140 " " V B 2 "VAL " " CB " 6 0 2 1 5387 21.69 + 5387 3 23.166000 6.686000 2.026000 140 " " V B 2 "VAL " " CG1" 6 0 2 1 5388 21.69 + 5388 3 23.617000 9.160000 2.117000 140 " " V B 2 "VAL " " CG2" 6 0 2 1 5389 21.69 + 5389 43 24.627000 5.620000 3.993000 140 " " V B 2 "VAL " " H " 1 0 2 1 5390 21.94 + 5390 41 25.109000 8.517000 4.338000 140 " " V B 2 "VAL " " HA " 1 0 2 1 5391 21.94 + 5391 41 25.074000 7.623000 2.064000 140 " " V B 2 "VAL " " HB " 1 0 2 1 5392 21.69 + 5392 41 23.094000 6.742000 0.941000 140 " " V B 2 "VAL " "HG11" 1 0 2 1 5393 21.69 + 5393 41 23.525000 5.686000 2.260000 140 " " V B 2 "VAL " "HG12" 1 0 2 1 5394 21.69 + 5394 41 22.153000 6.784000 2.418000 140 " " V B 2 "VAL " "HG13" 1 0 2 1 5395 21.69 + 5395 41 23.568000 9.211000 1.029000 140 " " V B 2 "VAL " "HG21" 1 0 2 1 5396 21.69 + 5396 41 22.618000 9.378000 2.497000 140 " " V B 2 "VAL " "HG22" 1 0 2 1 5397 21.69 + 5397 41 24.285000 9.953000 2.451000 140 " " V B 2 "VAL " "HG23" 1 0 2 1 5398 21.69 + 5398 25 22.943000 9.125000 5.439000 141 " " T B 2 "THR " " N " 7 0 2 1 5399 27.14 + 5399 3 21.719000 9.533000 6.125000 141 " " T B 2 "THR " " CA " 6 0 2 1 5400 27.14 + 5400 2 20.744000 10.152000 5.114000 141 " " T B 2 "THR " " C " 6 0 2 1 5401 27.14 + 5401 15 21.112000 11.044000 4.349000 141 " " T B 2 "THR " " O " 8 0 2 1 5402 20.29 + 5402 3 21.985000 10.566000 7.249000 141 " " T B 2 "THR " " CB " 6 0 2 1 5403 20.29 + 5403 16 22.861000 9.983000 8.195000 141 " " T B 2 "THR " " OG1" 8 0 2 1 5404 20.29 + 5404 3 20.731000 11.032000 8.019000 141 " " T B 2 "THR " " CG2" 6 0 2 1 5405 20.29 + 5405 43 23.650000 9.837000 5.330000 141 " " T B 2 "THR " " H " 1 0 2 1 5406 27.14 + 5406 41 21.250000 8.663000 6.587000 141 " " T B 2 "THR " " HA " 1 0 2 1 5407 27.14 + 5407 41 22.486000 11.438000 6.829000 141 " " T B 2 "THR " " HB " 1 0 2 1 5408 20.29 + 5408 42 22.390000 9.281000 8.655000 141 " " T B 2 "THR " " HG1" 1 0 2 1 5409 20.29 + 5409 41 21.002000 11.686000 8.849000 141 " " T B 2 "THR " "HG21" 1 0 2 1 5410 20.29 + 5410 41 20.044000 11.595000 7.387000 141 " " T B 2 "THR " "HG22" 1 0 2 1 5411 20.29 + 5411 41 20.179000 10.186000 8.429000 141 " " T B 2 "THR " "HG23" 1 0 2 1 5412 20.29 + 5412 25 19.512000 9.647000 5.164000 142 " " L B 2 "LEU " " N " 7 0 0 1 5413 17.08 + 5413 3 18.356000 10.089000 4.400000 142 " " L B 2 "LEU " " CA " 6 0 0 1 5414 17.08 + 5414 2 17.308000 10.634000 5.386000 142 " " L B 2 "LEU " " C " 6 0 0 1 5415 17.08 + 5415 15 17.500000 10.523000 6.598000 142 " " L B 2 "LEU " " O " 8 0 0 1 5416 24.15 + 5416 3 17.824000 8.851000 3.650000 142 " " L B 2 "LEU " " CB " 6 0 0 1 5417 24.15 + 5417 3 18.753000 8.314000 2.532000 142 " " L B 2 "LEU " " CG " 6 0 0 1 5418 24.15 + 5418 3 18.331000 6.918000 2.035000 142 " " L B 2 "LEU " " CD1" 6 0 0 1 5419 24.15 + 5419 3 18.929000 9.309000 1.372000 142 " " L B 2 "LEU " " CD2" 6 0 0 1 5420 24.15 + 5420 43 19.309000 8.923000 5.843000 142 " " L B 2 "LEU " " H " 1 0 0 1 5421 17.08 + 5421 41 18.618000 10.889000 3.706000 142 " " L B 2 "LEU " " HA " 1 0 0 1 5422 17.08 + 5422 41 16.853000 9.092000 3.236000 142 " " L B 2 "LEU " " HB3" 1 0 0 1 5423 24.15 + 5423 41 17.642000 8.059000 4.375000 142 " " L B 2 "LEU " " HB2" 1 0 0 1 5424 24.15 + 5424 41 19.737000 8.171000 2.980000 142 " " L B 2 "LEU " " HG " 1 0 0 1 5425 24.15 + 5425 41 19.211000 6.322000 1.800000 142 " " L B 2 "LEU " "HD11" 1 0 0 1 5426 24.15 + 5426 41 17.763000 6.374000 2.787000 142 " " L B 2 "LEU " "HD12" 1 0 0 1 5427 24.15 + 5427 41 17.731000 6.956000 1.127000 142 " " L B 2 "LEU " "HD13" 1 0 0 1 5428 24.15 + 5428 41 19.982000 9.560000 1.248000 142 " " L B 2 "LEU " "HD21" 1 0 0 1 5429 24.15 + 5429 41 18.585000 8.904000 0.423000 142 " " L B 2 "LEU " "HD22" 1 0 0 1 5430 24.15 + 5430 41 18.379000 10.235000 1.532000 142 " " L B 2 "LEU " "HD23" 1 0 0 1 5431 24.15 + 5431 25 16.213000 11.215000 4.873000 143 " " G B 2 "GLY " " N " 7 0 0 1 5432 21.92 + 5432 3 15.155000 11.687000 5.756000 143 " " G B 2 "GLY " " CA " 6 0 0 1 5433 21.92 + 5433 2 13.874000 12.053000 5.012000 143 " " G B 2 "GLY " " C " 6 0 0 1 5434 21.92 + 5434 15 13.809000 12.054000 3.782000 143 " " G B 2 "GLY " " O " 8 0 0 1 5435 67.94 + 5435 43 16.093000 11.330000 3.875000 143 " " G B 2 "GLY " " H " 1 0 0 1 5436 21.92 + 5436 41 15.497000 12.548000 6.329000 143 " " G B 2 "GLY " " HA3" 1 0 0 1 5437 21.92 + 5437 41 14.904000 10.893000 6.456000 143 " " G B 2 "GLY " " HA2" 1 0 0 1 5438 21.92 + 5438 25 12.857000 12.368000 5.821000 144 " " C B 2 "CYS " " N " 7 0 2 1 5439 13.02 + 5439 3 11.563000 12.907000 5.426000 144 " " C B 2 "CYS " " CA " 6 0 2 1 5440 13.02 + 5440 2 11.175000 14.000000 6.421000 144 " " C B 2 "CYS " " C " 6 0 2 1 5441 13.02 + 5441 15 11.426000 13.863000 7.618000 144 " " C B 2 "CYS " " O " 8 0 2 1 5442 12.97 + 5442 3 10.500000 11.793000 5.380000 144 " " C B 2 "CYS " " CB " 6 0 2 1 5443 12.97 + 5443 49 10.148000 11.224000 3.702000 144 " " C B 2 "CYS " " SG " 16 0 2 1 5444 12.97 + 5444 43 13.011000 12.328000 6.820000 144 " " C B 2 "CYS " " H " 1 0 2 1 5445 13.02 + 5445 41 11.655000 13.367000 4.440000 144 " " C B 2 "CYS " " HA " 1 0 2 1 5446 13.02 + 5446 41 9.549000 12.142000 5.786000 144 " " C B 2 "CYS " " HB3" 1 0 2 1 5447 12.97 + 5447 41 10.792000 10.941000 5.996000 144 " " C B 2 "CYS " " HB2" 1 0 2 1 5448 12.97 + 5448 25 10.563000 15.060000 5.884000 145 " " L B 2 "LEU " " N " 7 0 2 1 5449 2.48 + 5449 3 10.165000 16.260000 6.604000 145 " " L B 2 "LEU " " CA " 6 0 2 1 5450 2.48 + 5450 2 8.647000 16.413000 6.464000 145 " " L B 2 "LEU " " C " 6 0 2 1 5451 2.48 + 5451 15 8.171000 16.972000 5.475000 145 " " L B 2 "LEU " " O " 8 0 2 1 5452 6.19 + 5452 3 10.953000 17.443000 6.005000 145 " " L B 2 "LEU " " CB " 6 0 2 1 5453 6.19 + 5453 3 10.664000 18.823000 6.632000 145 " " L B 2 "LEU " " CG " 6 0 2 1 5454 6.19 + 5454 3 11.127000 18.891000 8.103000 145 " " L B 2 "LEU " " CD1" 6 0 2 1 5455 6.19 + 5455 3 11.280000 19.938000 5.766000 145 " " L B 2 "LEU " " CD2" 6 0 2 1 5456 6.19 + 5456 43 10.411000 15.087000 4.883000 145 " " L B 2 "LEU " " H " 1 0 2 1 5457 2.48 + 5457 41 10.410000 16.177000 7.665000 145 " " L B 2 "LEU " " HA " 1 0 2 1 5458 2.48 + 5458 41 10.751000 17.486000 4.936000 145 " " L B 2 "LEU " " HB3" 1 0 2 1 5459 6.19 + 5459 41 12.021000 17.240000 6.083000 145 " " L B 2 "LEU " " HB2" 1 0 2 1 5460 6.19 + 5460 41 9.588000 18.997000 6.621000 145 " " L B 2 "LEU " " HG " 1 0 2 1 5461 6.19 + 5461 41 10.276000 18.784000 8.775000 145 " " L B 2 "LEU " "HD11" 1 0 2 1 5462 6.19 + 5462 41 11.831000 18.095000 8.348000 145 " " L B 2 "LEU " "HD12" 1 0 2 1 5463 6.19 + 5463 41 11.613000 19.834000 8.351000 145 " " L B 2 "LEU " "HD13" 1 0 2 1 5464 6.19 + 5464 41 12.064000 20.480000 6.293000 145 " " L B 2 "LEU " "HD21" 1 0 2 1 5465 6.19 + 5465 41 11.736000 19.553000 4.854000 145 " " L B 2 "LEU " "HD22" 1 0 2 1 5466 6.19 + 5466 41 10.526000 20.660000 5.459000 145 " " L B 2 "LEU " "HD23" 1 0 2 1 5467 6.19 + 5467 25 7.923000 15.893000 7.463000 146 " " V B 2 "VAL " " N " 7 0 2 1 5468 21.51 + 5468 3 6.470000 15.971000 7.565000 146 " " V B 2 "VAL " " CA " 6 0 2 1 5469 21.51 + 5469 2 6.089000 17.293000 8.246000 146 " " V B 2 "VAL " " C " 6 0 2 1 5470 21.51 + 5470 15 6.322000 17.431000 9.444000 146 " " V B 2 "VAL " " O " 8 0 2 1 5471 10.35 + 5471 3 5.924000 14.798000 8.427000 146 " " V B 2 "VAL " " CB " 6 0 2 1 5472 10.35 + 5472 3 4.401000 14.845000 8.632000 146 " " V B 2 "VAL " " CG1" 6 0 2 1 5473 10.35 + 5473 3 6.321000 13.450000 7.818000 146 " " V B 2 "VAL " " CG2" 6 0 2 1 5474 10.35 + 5474 43 8.394000 15.474000 8.252000 146 " " V B 2 "VAL " " H " 1 0 2 1 5475 21.51 + 5475 41 6.018000 15.928000 6.572000 146 " " V B 2 "VAL " " HA " 1 0 2 1 5476 21.51 + 5476 41 6.381000 14.833000 9.418000 146 " " V B 2 "VAL " " HB " 1 0 2 1 5477 10.35 + 5477 41 4.031000 13.928000 9.088000 146 " " V B 2 "VAL " "HG11" 1 0 2 1 5478 10.35 + 5478 41 4.097000 15.669000 9.273000 146 " " V B 2 "VAL " "HG12" 1 0 2 1 5479 10.35 + 5479 41 3.898000 14.958000 7.675000 146 " " V B 2 "VAL " "HG13" 1 0 2 1 5480 10.35 + 5480 41 5.816000 12.623000 8.313000 146 " " V B 2 "VAL " "HG21" 1 0 2 1 5481 10.35 + 5481 41 6.059000 13.427000 6.763000 146 " " V B 2 "VAL " "HG22" 1 0 2 1 5482 10.35 + 5482 41 7.394000 13.270000 7.896000 146 " " V B 2 "VAL " "HG23" 1 0 2 1 5483 10.35 + 5483 25 5.517000 18.246000 7.496000 147 " " K B 2 "LYS " " N " 7 0 2 1 5484 10.43 + 5484 3 5.182000 19.553000 8.061000 147 " " K B 2 "LYS " " CA " 6 0 2 1 5485 10.43 + 5485 2 3.838000 20.089000 7.574000 147 " " K B 2 "LYS " " C " 6 0 2 1 5486 10.43 + 5486 15 3.316000 19.651000 6.551000 147 " " K B 2 "LYS " " O " 8 0 2 1 5487 25.53 + 5487 3 6.353000 20.539000 7.870000 147 " " K B 2 "LYS " " CB " 6 0 2 1 5488 25.53 + 5488 3 6.696000 20.954000 6.428000 147 " " K B 2 "LYS " " CG " 6 0 2 1 5489 25.53 + 5489 3 7.931000 21.879000 6.370000 147 " " K B 2 "LYS " " CD " 6 0 2 1 5490 25.53 + 5490 3 7.770000 23.242000 7.069000 147 " " K B 2 "LYS " " CE " 6 0 2 1 5491 25.53 + 5491 32 6.696000 24.049000 6.469000 147 " " K B 2 "LYS " " NZ " 7 1 2 1 5492 25.53 + 5492 43 5.344000 18.106000 6.509000 147 " " K B 2 "LYS " " H " 1 0 2 1 5493 10.43 + 5493 41 5.034000 19.445000 9.136000 147 " " K B 2 "LYS " " HA " 1 0 2 1 5494 10.43 + 5494 41 7.243000 20.113000 8.330000 147 " " K B 2 "LYS " " HB3" 1 0 2 1 5495 25.53 + 5495 41 6.123000 21.435000 8.443000 147 " " K B 2 "LYS " " HB2" 1 0 2 1 5496 25.53 + 5496 41 5.840000 21.439000 5.958000 147 " " K B 2 "LYS " " HG3" 1 0 2 1 5497 25.53 + 5497 41 6.896000 20.061000 5.836000 147 " " K B 2 "LYS " " HG2" 1 0 2 1 5498 25.53 + 5498 41 8.224000 22.036000 5.333000 147 " " K B 2 "LYS " " HD3" 1 0 2 1 5499 25.53 + 5499 41 8.771000 21.362000 6.832000 147 " " K B 2 "LYS " " HD2" 1 0 2 1 5500 25.53 + 5500 41 8.696000 23.808000 6.995000 147 " " K B 2 "LYS " " HE3" 1 0 2 1 5501 25.53 + 5501 41 7.577000 23.118000 8.135000 147 " " K B 2 "LYS " " HE2" 1 0 2 1 5502 25.53 + 5502 44 6.892000 24.203000 5.491000 147 " " K B 2 "LYS " " HZ1" 1 0 2 1 5503 25.53 + 5503 44 5.817000 23.560000 6.562000 147 " " K B 2 "LYS " " HZ2" 1 0 2 1 5504 25.53 + 5504 44 6.637000 24.938000 6.946000 147 " " K B 2 "LYS " " HZ3" 1 0 2 1 5505 25.53 + 5505 25 3.309000 21.038000 8.360000 148 " " G B 2 "GLY " " N " 7 0 2 1 5506 8.38 + 5506 3 2.050000 21.721000 8.098000 148 " " G B 2 "GLY " " CA " 6 0 2 1 5507 8.38 + 5507 2 0.824000 20.924000 8.572000 148 " " G B 2 "GLY " " C " 6 0 2 1 5508 8.38 + 5508 15 -0.283000 21.372000 8.295000 148 " " G B 2 "GLY " " O " 8 0 2 1 5509 55.11 + 5509 43 3.796000 21.300000 9.207000 148 " " G B 2 "GLY " " H " 1 0 2 1 5510 8.38 + 5510 41 1.949000 21.931000 7.032000 148 " " G B 2 "GLY " " HA3" 1 0 2 1 5511 8.38 + 5511 41 2.069000 22.687000 8.601000 148 " " G B 2 "GLY " " HA2" 1 0 2 1 5512 8.38 + 5512 25 0.982000 19.774000 9.256000 149 " " Y B 2 "TYR " " N " 7 0 2 1 5513 36.71 + 5513 3 -0.138000 18.915000 9.660000 149 " " Y B 2 "TYR " " CA " 6 0 2 1 5514 36.71 + 5514 2 -0.744000 19.323000 11.013000 149 " " Y B 2 "TYR " " C " 6 0 2 1 5515 36.71 + 5515 15 -0.061000 19.929000 11.837000 149 " " Y B 2 "TYR " " O " 8 0 2 1 5516 25.27 + 5516 3 0.308000 17.437000 9.678000 149 " " Y B 2 "TYR " " CB " 6 0 2 1 5517 25.27 + 5517 2 1.113000 16.976000 10.878000 149 " " Y B 2 "TYR " " CG " 6 0 2 1 5518 25.27 + 5518 2 2.508000 17.173000 10.897000 149 " " Y B 2 "TYR " " CD1" 6 0 2 1 5519 25.27 + 5519 2 0.476000 16.346000 11.967000 149 " " Y B 2 "TYR " " CD2" 6 0 2 1 5520 25.27 + 5520 2 3.268000 16.713000 11.985000 149 " " Y B 2 "TYR " " CE1" 6 0 2 1 5521 25.27 + 5521 2 1.235000 15.901000 13.065000 149 " " Y B 2 "TYR " " CE2" 6 0 2 1 5522 25.27 + 5522 2 2.631000 16.076000 13.066000 149 " " Y B 2 "TYR " " CZ " 6 0 2 1 5523 25.27 + 5523 16 3.379000 15.639000 14.113000 149 " " Y B 2 "TYR " " OH " 8 0 2 1 5524 25.27 + 5524 43 1.909000 19.456000 9.500000 149 " " Y B 2 "TYR " " H " 1 0 2 1 5525 36.71 + 5525 41 -0.911000 19.005000 8.899000 149 " " Y B 2 "TYR " " HA " 1 0 2 1 5526 36.71 + 5526 41 0.878000 17.207000 8.785000 149 " " Y B 2 "TYR " " HB3" 1 0 2 1 5527 25.27 + 5527 41 -0.580000 16.804000 9.622000 149 " " Y B 2 "TYR " " HB2" 1 0 2 1 5528 25.27 + 5528 41 3.003000 17.664000 10.071000 149 " " Y B 2 "TYR " " HD1" 1 0 2 1 5529 25.27 + 5529 41 -0.594000 16.202000 11.966000 149 " " Y B 2 "TYR " " HD2" 1 0 2 1 5530 25.27 + 5530 41 4.337000 16.856000 11.992000 149 " " Y B 2 "TYR " " HE1" 1 0 2 1 5531 25.27 + 5531 41 0.750000 15.417000 13.896000 149 " " Y B 2 "TYR " " HE2" 1 0 2 1 5532 25.27 + 5532 42 2.869000 15.235000 14.830000 149 " " Y B 2 "TYR " " HH " 1 0 2 1 5533 25.27 + 5533 25 -1.998000 18.901000 11.233000 150 " " F B 2 "PHE " " N " 7 0 2 1 5534 40.87 + 5534 3 -2.740000 19.052000 12.483000 150 " " F B 2 "PHE " " CA " 6 0 2 1 5535 40.87 + 5535 2 -4.013000 18.184000 12.413000 150 " " F B 2 "PHE " " C " 6 0 2 1 5536 40.87 + 5536 15 -4.618000 18.120000 11.343000 150 " " F B 2 "PHE " " O " 8 0 2 1 5537 12.49 + 5537 3 -3.099000 20.546000 12.697000 150 " " F B 2 "PHE " " CB " 6 0 2 1 5538 12.49 + 5538 2 -3.838000 20.863000 13.984000 150 " " F B 2 "PHE " " CG " 6 0 2 1 5539 12.49 + 5539 2 -3.124000 20.926000 15.197000 150 " " F B 2 "PHE " " CD1" 6 0 2 1 5540 12.49 + 5540 2 -5.245000 20.945000 14.017000 150 " " F B 2 "PHE " " CD2" 6 0 2 1 5541 12.49 + 5541 2 -3.789000 21.138000 16.395000 150 " " F B 2 "PHE " " CE1" 6 0 2 1 5542 12.49 + 5542 2 -5.893000 21.156000 15.226000 150 " " F B 2 "PHE " " CE2" 6 0 2 1 5543 12.49 + 5543 2 -5.171000 21.261000 16.407000 150 " " F B 2 "PHE " " CZ " 6 0 2 1 5544 12.49 + 5544 43 -2.491000 18.416000 10.493000 150 " " F B 2 "PHE " " H " 1 0 2 1 5545 40.87 + 5545 41 -2.080000 18.712000 13.280000 150 " " F B 2 "PHE " " HA " 1 0 2 1 5546 40.87 + 5546 41 -3.685000 20.917000 11.855000 150 " " F B 2 "PHE " " HB3" 1 0 2 1 5547 12.49 + 5547 41 -2.191000 21.146000 12.712000 150 " " F B 2 "PHE " " HB2" 1 0 2 1 5548 12.49 + 5548 41 -2.051000 20.823000 15.190000 150 " " F B 2 "PHE " " HD1" 1 0 2 1 5549 12.49 + 5549 41 -5.819000 20.846000 13.109000 150 " " F B 2 "PHE " " HD2" 1 0 2 1 5550 12.49 + 5550 41 -3.231000 21.207000 17.317000 150 " " F B 2 "PHE " " HE1" 1 0 2 1 5551 12.49 + 5551 41 -6.965000 21.233000 15.255000 150 " " F B 2 "PHE " " HE2" 1 0 2 1 5552 12.49 + 5552 41 -5.688000 21.425000 17.341000 150 " " F B 2 "PHE " " HZ " 1 0 2 1 5553 12.49 + 5553 25 -4.455000 17.575000 13.536000 151 " " P B 2 "PRO " " N " 7 0 0 1 5554 12.76 + 5554 3 -3.741000 17.403000 14.817000 151 " " P B 2 "PRO " " CA " 6 0 0 1 5555 12.76 + 5555 2 -2.764000 16.212000 14.791000 151 " " P B 2 "PRO " " C " 6 0 0 1 5556 12.76 + 5556 15 -2.613000 15.554000 13.763000 151 " " P B 2 "PRO " " O " 8 0 0 1 5557 54.89 + 5557 3 -4.900000 17.158000 15.795000 151 " " P B 2 "PRO " " CB " 6 0 0 1 5558 54.89 + 5558 3 -5.889000 16.349000 14.981000 151 " " P B 2 "PRO " " CG " 6 0 0 1 5559 54.89 + 5559 3 -5.804000 17.012000 13.609000 151 " " P B 2 "PRO " " CD " 6 0 0 1 5560 54.89 + 5560 41 -3.195000 18.291000 15.125000 151 " " P B 2 "PRO " " HA " 1 0 0 1 5561 12.76 + 5561 41 -5.347000 18.113000 16.071000 151 " " P B 2 "PRO " " HB3" 1 0 0 1 5562 54.89 + 5562 41 -4.614000 16.654000 16.718000 151 " " P B 2 "PRO " " HB2" 1 0 0 1 5563 54.89 + 5563 41 -6.882000 16.348000 15.418000 151 " " P B 2 "PRO " " HG3" 1 0 0 1 5564 54.89 + 5564 41 -5.551000 15.314000 14.922000 151 " " P B 2 "PRO " " HG2" 1 0 0 1 5565 54.89 + 5565 41 -6.019000 16.322000 12.794000 151 " " P B 2 "PRO " " HD2" 1 0 0 1 5566 54.89 + 5566 41 -6.510000 17.838000 13.545000 151 " " P B 2 "PRO " " HD3" 1 0 0 1 5567 54.89 + 5567 25 -2.145000 15.934000 15.947000 152 " " E B 2 "GLU " " N " 7 0 0 1 5568 8.75 + 5568 3 -1.351000 14.729000 16.205000 152 " " E B 2 "GLU " " CA " 6 0 0 1 5569 8.75 + 5569 2 -2.200000 13.433000 16.196000 152 " " E B 2 "GLU " " C " 6 0 0 1 5570 8.75 + 5570 15 -3.405000 13.501000 16.451000 152 " " E B 2 "GLU " " O " 8 0 0 1 5571 18.01 + 5571 3 -0.647000 14.912000 17.568000 152 " " E B 2 "GLU " " CB " 6 0 0 1 5572 18.01 + 5572 3 0.600000 15.818000 17.512000 152 " " E B 2 "GLU " " CG " 6 0 0 1 5573 18.01 + 5573 2 1.901000 15.024000 17.409000 152 " " E B 2 "GLU " " CD " 6 0 0 1 5574 18.01 + 5574 15 2.193000 14.528000 16.299000 152 " " E B 2 "GLU " " OE1" 8 0 0 1 5575 18.01 + 5575 18 2.589000 14.930000 18.448000 152 " " E B 2 "GLU " " OE2" 8 -1 0 1 5576 18.01 + 5576 43 -2.316000 16.522000 16.750000 152 " " E B 2 "GLU " " H " 1 0 0 1 5577 8.75 + 5577 41 -0.609000 14.660000 15.412000 152 " " E B 2 "GLU " " HA " 1 0 0 1 5578 8.75 + 5578 41 -0.381000 13.946000 18.000000 152 " " E B 2 "GLU " " HB3" 1 0 0 1 5579 18.01 + 5579 41 -1.353000 15.341000 18.281000 152 " " E B 2 "GLU " " HB2" 1 0 0 1 5580 18.01 + 5580 41 0.644000 16.427000 18.416000 152 " " E B 2 "GLU " " HG3" 1 0 0 1 5581 18.01 + 5581 41 0.541000 16.515000 16.677000 152 " " E B 2 "GLU " " HG2" 1 0 0 1 5582 18.01 + 5582 25 -1.559000 12.262000 15.964000 153 " " P B 2 "PRO " " N " 7 0 0 1 5583 14.72 + 5583 3 -0.143000 12.065000 15.615000 153 " " P B 2 "PRO " " CA " 6 0 0 1 5584 14.72 + 5584 2 0.077000 11.922000 14.094000 153 " " P B 2 "PRO " " C " 6 0 0 1 5585 14.72 + 5585 15 -0.887000 11.952000 13.329000 153 " " P B 2 "PRO " " O " 8 0 0 1 5586 2.48 + 5586 3 0.162000 10.765000 16.371000 153 " " P B 2 "PRO " " CB " 6 0 0 1 5587 2.48 + 5587 3 -1.104000 9.931000 16.229000 153 " " P B 2 "PRO " " CG " 6 0 0 1 5588 2.48 + 5588 3 -2.222000 10.966000 16.100000 153 " " P B 2 "PRO " " CD " 6 0 0 1 5589 2.48 + 5589 41 0.504000 12.842000 15.998000 153 " " P B 2 "PRO " " HA " 1 0 0 1 5590 14.72 + 5590 41 0.328000 10.998000 17.424000 153 " " P B 2 "PRO " " HB3" 1 0 0 1 5591 2.48 + 5591 41 1.049000 10.238000 16.016000 153 " " P B 2 "PRO " " HB2" 1 0 0 1 5592 2.48 + 5592 41 -1.253000 9.243000 17.061000 153 " " P B 2 "PRO " " HG3" 1 0 0 1 5593 2.48 + 5593 41 -1.053000 9.339000 15.313000 153 " " P B 2 "PRO " " HG2" 1 0 0 1 5594 2.48 + 5594 41 -2.824000 10.775000 15.216000 153 " " P B 2 "PRO " " HD2" 1 0 0 1 5595 2.48 + 5595 41 -2.872000 10.942000 16.969000 153 " " P B 2 "PRO " " HD3" 1 0 0 1 5596 2.48 + 5596 25 1.343000 11.704000 13.699000 154 " " V B 2 "VAL " " N " 7 0 0 1 5597 2.48 + 5597 3 1.710000 11.140000 12.398000 154 " " V B 2 "VAL " " CA " 6 0 0 1 5598 2.48 + 5598 2 2.679000 9.969000 12.611000 154 " " V B 2 "VAL " " C " 6 0 0 1 5599 2.48 + 5599 15 3.684000 10.115000 13.307000 154 " " V B 2 "VAL " " O " 8 0 0 1 5600 2.48 + 5600 3 2.365000 12.151000 11.414000 154 " " V B 2 "VAL " " CB " 6 0 0 1 5601 2.48 + 5601 3 1.329000 13.102000 10.812000 154 " " V B 2 "VAL " " CG1" 6 0 0 1 5602 2.48 + 5602 3 3.575000 12.909000 11.986000 154 " " V B 2 "VAL " " CG2" 6 0 0 1 5603 2.48 + 5603 43 2.087000 11.728000 14.383000 154 " " V B 2 "VAL " " H " 1 0 0 1 5604 2.48 + 5604 41 0.806000 10.747000 11.935000 154 " " V B 2 "VAL " " HA " 1 0 0 1 5605 2.48 + 5605 41 2.745000 11.586000 10.560000 154 " " V B 2 "VAL " " HB " 1 0 0 1 5606 2.48 + 5606 41 1.777000 13.811000 10.115000 154 " " V B 2 "VAL " "HG11" 1 0 0 1 5607 2.48 + 5607 41 0.572000 12.540000 10.272000 154 " " V B 2 "VAL " "HG12" 1 0 0 1 5608 2.48 + 5608 41 0.827000 13.666000 11.594000 154 " " V B 2 "VAL " "HG13" 1 0 0 1 5609 2.48 + 5609 41 3.869000 13.746000 11.356000 154 " " V B 2 "VAL " "HG21" 1 0 0 1 5610 2.48 + 5610 41 3.367000 13.303000 12.978000 154 " " V B 2 "VAL " "HG22" 1 0 0 1 5611 2.48 + 5611 41 4.440000 12.255000 12.069000 154 " " V B 2 "VAL " "HG23" 1 0 0 1 5612 2.48 + 5612 25 2.337000 8.823000 12.007000 155 " " T B 2 "THR " " N " 7 0 2 1 5613 2.48 + 5613 3 3.084000 7.577000 12.114000 155 " " T B 2 "THR " " CA " 6 0 2 1 5614 2.48 + 5614 2 4.023000 7.445000 10.903000 155 " " T B 2 "THR " " C " 6 0 2 1 5615 2.48 + 5615 15 3.573000 7.072000 9.817000 155 " " T B 2 "THR " " O " 8 0 2 1 5616 33.4 + 5616 3 2.153000 6.330000 12.181000 155 " " T B 2 "THR " " CB " 6 0 2 1 5617 33.4 + 5617 16 0.970000 6.614000 12.904000 155 " " T B 2 "THR " " OG1" 8 0 2 1 5618 33.4 + 5618 3 2.828000 5.129000 12.861000 155 " " T B 2 "THR " " CG2" 6 0 2 1 5619 33.4 + 5619 43 1.500000 8.789000 11.440000 155 " " T B 2 "THR " " H " 1 0 2 1 5620 2.48 + 5620 41 3.690000 7.590000 13.023000 155 " " T B 2 "THR " " HA " 1 0 2 1 5621 2.48 + 5621 41 1.829000 6.015000 11.191000 155 " " T B 2 "THR " " HB " 1 0 2 1 5622 33.4 + 5622 42 0.475000 5.798000 13.015000 155 " " T B 2 "THR " " HG1" 1 0 2 1 5623 33.4 + 5623 41 2.164000 4.264000 12.887000 155 " " T B 2 "THR " "HG21" 1 0 2 1 5624 33.4 + 5624 41 3.731000 4.830000 12.327000 155 " " T B 2 "THR " "HG22" 1 0 2 1 5625 33.4 + 5625 41 3.112000 5.361000 13.888000 155 " " T B 2 "THR " "HG23" 1 0 2 1 5626 33.4 + 5626 25 5.300000 7.813000 11.099000 156 " " V B 2 "VAL " " N " 7 0 2 1 5627 13.66 + 5627 3 6.310000 7.780000 10.043000 156 " " V B 2 "VAL " " CA " 6 0 2 1 5628 13.66 + 5628 2 7.166000 6.516000 10.178000 156 " " V B 2 "VAL " " C " 6 0 2 1 5629 13.66 + 5629 15 7.733000 6.252000 11.238000 156 " " V B 2 "VAL " " O " 8 0 2 1 5630 2.48 + 5630 3 7.225000 9.028000 10.041000 156 " " V B 2 "VAL " " CB " 6 0 2 1 5631 2.48 + 5631 3 8.307000 8.987000 8.939000 156 " " V B 2 "VAL " " CG1" 6 0 2 1 5632 2.48 + 5632 3 6.370000 10.291000 9.879000 156 " " V B 2 "VAL " " CG2" 6 0 2 1 5633 2.48 + 5633 43 5.605000 8.131000 12.007000 156 " " V B 2 "VAL " " H " 1 0 2 1 5634 13.66 + 5634 41 5.817000 7.763000 9.070000 156 " " V B 2 "VAL " " HA " 1 0 2 1 5635 13.66 + 5635 41 7.742000 9.107000 10.999000 156 " " V B 2 "VAL " " HB " 1 0 2 1 5636 2.48 + 5636 41 8.802000 9.951000 8.833000 156 " " V B 2 "VAL " "HG11" 1 0 2 1 5637 2.48 + 5637 41 9.083000 8.250000 9.153000 156 " " V B 2 "VAL " "HG12" 1 0 2 1 5638 2.48 + 5638 41 7.874000 8.741000 7.968000 156 " " V B 2 "VAL " "HG13" 1 0 2 1 5639 2.48 + 5639 41 6.987000 11.149000 9.623000 156 " " V B 2 "VAL " "HG21" 1 0 2 1 5640 2.48 + 5640 41 5.629000 10.171000 9.093000 156 " " V B 2 "VAL " "HG22" 1 0 2 1 5641 2.48 + 5641 41 5.828000 10.524000 10.797000 156 " " V B 2 "VAL " "HG23" 1 0 2 1 5642 2.48 + 5642 25 7.212000 5.772000 9.072000 157 " " T B 2 "THR " " N " 7 0 2 1 5643 9.8 + 5643 3 7.812000 4.454000 8.932000 157 " " T B 2 "THR " " CA " 6 0 2 1 5644 9.8 + 5644 2 8.597000 4.394000 7.603000 157 " " T B 2 "THR " " C " 6 0 2 1 5645 9.8 + 5645 15 8.359000 5.223000 6.728000 157 " " T B 2 "THR " " O " 8 0 2 1 5646 21.52 + 5646 3 6.697000 3.368000 9.043000 157 " " T B 2 "THR " " CB " 6 0 2 1 5647 21.52 + 5647 16 7.134000 2.101000 8.617000 157 " " T B 2 "THR " " OG1" 8 0 2 1 5648 21.52 + 5648 3 5.419000 3.654000 8.240000 157 " " T B 2 "THR " " CG2" 6 0 2 1 5649 21.52 + 5649 43 6.722000 6.098000 8.249000 157 " " T B 2 "THR " " H " 1 0 2 1 5650 9.8 + 5650 41 8.534000 4.297000 9.736000 157 " " T B 2 "THR " " HA " 1 0 2 1 5651 9.8 + 5651 41 6.423000 3.266000 10.094000 157 " " T B 2 "THR " " HB " 1 0 2 1 5652 21.52 + 5652 42 7.154000 2.098000 7.657000 157 " " T B 2 "THR " " HG1" 1 0 2 1 5653 21.52 + 5653 41 4.717000 2.820000 8.294000 157 " " T B 2 "THR " "HG21" 1 0 2 1 5654 21.52 + 5654 41 4.896000 4.535000 8.611000 157 " " T B 2 "THR " "HG22" 1 0 2 1 5655 21.52 + 5655 41 5.661000 3.818000 7.195000 157 " " T B 2 "THR " "HG23" 1 0 2 1 5656 21.52 + 5656 25 9.557000 3.459000 7.497000 158 " " W B 2 "TRP " " N " 7 0 2 1 5657 19.65 + 5657 3 10.471000 3.338000 6.358000 158 " " W B 2 "TRP " " CA " 6 0 2 1 5658 19.65 + 5658 2 10.435000 1.923000 5.775000 158 " " W B 2 "TRP " " C " 6 0 2 1 5659 19.65 + 5659 15 10.628000 0.954000 6.510000 158 " " W B 2 "TRP " " O " 8 0 2 1 5660 25.1 + 5660 3 11.893000 3.717000 6.794000 158 " " W B 2 "TRP " " CB " 6 0 2 1 5661 25.1 + 5661 2 12.115000 5.170000 7.067000 158 " " W B 2 "TRP " " CG " 6 0 2 1 5662 25.1 + 5662 2 11.968000 5.791000 8.258000 158 " " W B 2 "TRP " " CD1" 6 0 2 1 5663 25.1 + 5663 2 12.465000 6.211000 6.112000 158 " " W B 2 "TRP " " CD2" 6 0 2 1 5664 25.1 + 5664 25 12.265000 7.130000 8.118000 158 " " W B 2 "TRP " " NE1" 7 0 2 1 5665 25.1 + 5665 2 12.594000 7.446000 6.817000 158 " " W B 2 "TRP " " CE2" 6 0 2 1 5666 25.1 + 5666 2 12.707000 6.232000 4.720000 158 " " W B 2 "TRP " " CE3" 6 0 2 1 5667 25.1 + 5667 2 12.980000 8.635000 6.177000 158 " " W B 2 "TRP " " CZ2" 6 0 2 1 5668 25.1 + 5668 2 13.094000 7.418000 4.069000 158 " " W B 2 "TRP " " CZ3" 6 0 2 1 5669 25.1 + 5669 2 13.245000 8.611000 4.795000 158 " " W B 2 "TRP " " CH2" 6 0 2 1 5670 25.1 + 5670 43 9.703000 2.803000 8.251000 158 " " W B 2 "TRP " " H " 1 0 2 1 5671 19.65 + 5671 41 10.179000 4.023000 5.562000 158 " " W B 2 "TRP " " HA " 1 0 2 1 5672 19.65 + 5672 41 12.609000 3.428000 6.023000 158 " " W B 2 "TRP " " HB3" 1 0 2 1 5673 25.1 + 5673 41 12.167000 3.164000 7.689000 158 " " W B 2 "TRP " " HB2" 1 0 2 1 5674 25.1 + 5674 41 11.677000 5.297000 9.173000 158 " " W B 2 "TRP " " HD1" 1 0 2 1 5675 25.1 + 5675 43 12.222000 7.780000 8.897000 158 " " W B 2 "TRP " " HE1" 1 0 2 1 5676 25.1 + 5676 41 12.603000 5.320000 4.153000 158 " " W B 2 "TRP " " HE3" 1 0 2 1 5677 25.1 + 5677 41 13.062000 9.551000 6.742000 158 " " W B 2 "TRP " " HZ2" 1 0 2 1 5678 25.1 + 5678 41 13.258000 7.421000 3.003000 158 " " W B 2 "TRP " " HZ3" 1 0 2 1 5679 25.1 + 5679 41 13.537000 9.504000 4.270000 158 " " W B 2 "TRP " " HH2" 1 0 2 1 5680 25.1 + 5680 25 10.177000 1.848000 4.456000 159 " " N B 2 "ASN " " N " 7 0 0 1 5681 4.62 + 5681 3 9.956000 0.639000 3.643000 159 " " N B 2 "ASN " " CA " 6 0 0 1 5682 4.62 + 5682 2 8.830000 -0.238000 4.219000 159 " " N B 2 "ASN " " C " 6 0 0 1 5683 4.62 + 5683 15 8.952000 -1.462000 4.246000 159 " " N B 2 "ASN " " O " 8 0 0 1 5684 66.78 + 5684 3 11.280000 -0.141000 3.413000 159 " " N B 2 "ASN " " CB " 6 0 0 1 5685 66.78 + 5685 2 12.289000 0.587000 2.522000 159 " " N B 2 "ASN " " CG " 6 0 0 1 5686 66.78 + 5686 15 12.046000 1.706000 2.084000 159 " " N B 2 "ASN " " OD1" 8 0 0 1 5687 66.78 + 5687 25 13.420000 -0.057000 2.230000 159 " " N B 2 "ASN " " ND2" 7 0 0 1 5688 66.78 + 5688 43 10.074000 2.717000 3.946000 159 " " N B 2 "ASN " " H " 1 0 0 1 5689 4.62 + 5689 41 9.600000 1.019000 2.684000 159 " " N B 2 "ASN " " HA " 1 0 0 1 5690 4.62 + 5690 41 11.070000 -1.085000 2.907000 159 " " N B 2 "ASN " " HB3" 1 0 0 1 5691 66.78 + 5691 41 11.748000 -0.400000 4.363000 159 " " N B 2 "ASN " " HB2" 1 0 0 1 5692 66.78 + 5692 43 14.099000 0.369000 1.614000 159 " " N B 2 "ASN " "HD22" 1 0 0 1 5693 66.78 + 5693 43 13.595000 -0.983000 2.593000 159 " " N B 2 "ASN " "HD21" 1 0 0 1 5694 66.78 + 5694 25 7.764000 0.421000 4.703000 160 " " S B 2 "SER " " N " 7 0 0 1 5695 44.72 + 5695 3 6.611000 -0.169000 5.389000 160 " " S B 2 "SER " " CA " 6 0 0 1 5696 44.72 + 5696 2 7.003000 -0.936000 6.673000 160 " " S B 2 "SER " " C " 6 0 0 1 5697 44.72 + 5697 15 6.397000 -1.958000 6.991000 160 " " S B 2 "SER " " O " 8 0 0 1 5698 19.4 + 5698 3 5.764000 -1.003000 4.400000 160 " " S B 2 "SER " " CB " 6 0 0 1 5699 19.4 + 5699 16 5.212000 -0.159000 3.409000 160 " " S B 2 "SER " " OG " 8 0 0 1 5700 19.4 + 5700 43 7.744000 1.430000 4.636000 160 " " S B 2 "SER " " H " 1 0 0 1 5701 44.72 + 5701 41 5.999000 0.666000 5.732000 160 " " S B 2 "SER " " HA " 1 0 0 1 5702 44.72 + 5702 41 4.931000 -1.485000 4.913000 160 " " S B 2 "SER " " HB3" 1 0 0 1 5703 19.4 + 5703 41 6.345000 -1.794000 3.927000 160 " " S B 2 "SER " " HB2" 1 0 0 1 5704 19.4 + 5704 42 4.683000 -0.692000 2.811000 160 " " S B 2 "SER " " HG " 1 0 0 1 5705 19.4 + 5705 25 8.015000 -0.417000 7.388000 161 " " G B 2 "GLY " " N " 7 0 0 1 5706 43.1 + 5706 3 8.464000 -0.905000 8.690000 161 " " G B 2 "GLY " " CA " 6 0 0 1 5707 43.1 + 5707 2 9.600000 -1.930000 8.580000 161 " " G B 2 "GLY " " C " 6 0 0 1 5708 43.1 + 5708 15 10.147000 -2.309000 9.615000 161 " " G B 2 "GLY " " O " 8 0 0 1 5709 65.62 + 5709 43 8.498000 0.395000 7.029000 161 " " G B 2 "GLY " " H " 1 0 0 1 5710 43.1 + 5710 41 7.636000 -1.340000 9.253000 161 " " G B 2 "GLY " " HA3" 1 0 0 1 5711 43.1 + 5711 41 8.823000 -0.054000 9.270000 161 " " G B 2 "GLY " " HA2" 1 0 0 1 5712 43.1 + 5712 25 9.972000 -2.361000 7.359000 162 " " S B 2 "SER " " N " 7 0 0 1 5713 36.78 + 5713 3 11.102000 -3.253000 7.079000 162 " " S B 2 "SER " " CA " 6 0 0 1 5714 36.78 + 5714 2 12.441000 -2.654000 7.541000 162 " " S B 2 "SER " " C " 6 0 0 1 5715 36.78 + 5715 15 13.161000 -3.278000 8.321000 162 " " S B 2 "SER " " O " 8 0 0 1 5716 39.21 + 5716 3 11.115000 -3.573000 5.566000 162 " " S B 2 "SER " " CB " 6 0 0 1 5717 39.21 + 5717 16 12.261000 -4.290000 5.156000 162 " " S B 2 "SER " " OG " 8 0 0 1 5718 39.21 + 5718 43 9.472000 -2.019000 6.551000 162 " " S B 2 "SER " " H " 1 0 0 1 5719 36.78 + 5719 41 10.944000 -4.183000 7.629000 162 " " S B 2 "SER " " HA " 1 0 0 1 5720 36.78 + 5720 41 11.107000 -2.650000 4.989000 162 " " S B 2 "SER " " HB3" 1 0 0 1 5721 39.21 + 5721 41 10.222000 -4.130000 5.282000 162 " " S B 2 "SER " " HB2" 1 0 0 1 5722 39.21 + 5722 42 12.247000 -5.156000 5.572000 162 " " S B 2 "SER " " HG " 1 0 0 1 5723 39.21 + 5723 25 12.721000 -1.443000 7.041000 163 " " L B 2 "LEU " " N " 7 0 0 1 5724 17.48 + 5724 3 13.951000 -0.700000 7.259000 163 " " L B 2 "LEU " " CA " 6 0 0 1 5725 17.48 + 5725 2 13.840000 0.079000 8.579000 163 " " L B 2 "LEU " " C " 6 0 0 1 5726 17.48 + 5726 15 13.379000 1.219000 8.580000 163 " " L B 2 "LEU " " O " 8 0 0 1 5727 24.15 + 5727 3 14.145000 0.177000 6.003000 163 " " L B 2 "LEU " " CB " 6 0 0 1 5728 24.15 + 5728 3 15.443000 0.999000 5.930000 163 " " L B 2 "LEU " " CG " 6 0 0 1 5729 24.15 + 5729 3 16.719000 0.138000 5.994000 163 " " L B 2 "LEU " " CD1" 6 0 0 1 5730 24.15 + 5730 3 15.414000 1.900000 4.680000 163 " " L B 2 "LEU " " CD2" 6 0 0 1 5731 24.15 + 5731 43 12.038000 -0.988000 6.452000 163 " " L B 2 "LEU " " H " 1 0 0 1 5732 17.48 + 5732 41 14.780000 -1.403000 7.338000 163 " " L B 2 "LEU " " HA " 1 0 0 1 5733 17.48 + 5733 41 13.294000 0.852000 5.911000 163 " " L B 2 "LEU " " HB3" 1 0 0 1 5734 24.15 + 5734 41 14.107000 -0.465000 5.122000 163 " " L B 2 "LEU " " HB2" 1 0 0 1 5735 24.15 + 5735 41 15.453000 1.635000 6.810000 163 " " L B 2 "LEU " " HG " 1 0 0 1 5736 24.15 + 5736 41 17.400000 0.344000 5.169000 163 " " L B 2 "LEU " "HD11" 1 0 0 1 5737 24.15 + 5737 41 17.268000 0.329000 6.917000 163 " " L B 2 "LEU " "HD12" 1 0 0 1 5738 24.15 + 5738 41 16.503000 -0.929000 5.954000 163 " " L B 2 "LEU " "HD13" 1 0 0 1 5739 24.15 + 5739 41 15.895000 2.859000 4.863000 163 " " L B 2 "LEU " "HD21" 1 0 0 1 5740 24.15 + 5740 41 15.923000 1.437000 3.835000 163 " " L B 2 "LEU " "HD22" 1 0 0 1 5741 24.15 + 5741 41 14.394000 2.110000 4.355000 163 " " L B 2 "LEU " "HD23" 1 0 0 1 5742 24.15 + 5742 25 14.199000 -0.591000 9.685000 164 " " S B 2 "SER " " N " 7 0 0 1 5743 21.33 + 5743 3 13.931000 -0.133000 11.050000 164 " " S B 2 "SER " " CA " 6 0 0 1 5744 21.33 + 5744 2 15.184000 0.300000 11.834000 164 " " S B 2 "SER " " C " 6 0 0 1 5745 21.33 + 5745 15 15.042000 1.132000 12.730000 164 " " S B 2 "SER " " O " 8 0 0 1 5746 49.23 + 5746 3 13.150000 -1.244000 11.787000 164 " " S B 2 "SER " " CB " 6 0 0 1 5747 49.23 + 5747 16 13.916000 -2.422000 11.970000 164 " " S B 2 "SER " " OG " 8 0 0 1 5748 49.23 + 5748 43 14.541000 -1.537000 9.596000 164 " " S B 2 "SER " " H " 1 0 0 1 5749 21.33 + 5749 41 13.274000 0.738000 11.021000 164 " " S B 2 "SER " " HA " 1 0 0 1 5750 21.33 + 5750 41 12.243000 -1.497000 11.238000 164 " " S B 2 "SER " " HB3" 1 0 0 1 5751 49.23 + 5751 41 12.829000 -0.891000 12.767000 164 " " S B 2 "SER " " HB2" 1 0 0 1 5752 49.23 + 5752 42 13.835000 -2.964000 11.181000 164 " " S B 2 "SER " " HG " 1 0 0 1 5753 49.23 + 5753 25 16.363000 -0.264000 11.512000 165 " " S B 2 "SER " " N " 7 0 0 1 5754 32.73 + 5754 3 17.590000 -0.146000 12.311000 165 " " S B 2 "SER " " CA " 6 0 0 1 5755 32.73 + 5755 2 18.108000 1.294000 12.509000 165 " " S B 2 "SER " " C " 6 0 0 1 5756 32.73 + 5756 15 18.399000 1.670000 13.644000 165 " " S B 2 "SER " " O " 8 0 0 1 5757 111.62 + 5757 3 18.671000 -1.073000 11.713000 165 " " S B 2 "SER " " CB " 6 0 0 1 5758 111.62 + 5758 16 19.848000 -1.101000 12.499000 165 " " S B 2 "SER " " OG " 8 0 0 1 5759 111.62 + 5759 43 16.393000 -0.928000 10.753000 165 " " S B 2 "SER " " H " 1 0 0 1 5760 32.73 + 5760 41 17.344000 -0.532000 13.302000 165 " " S B 2 "SER " " HA " 1 0 0 1 5761 32.73 + 5761 41 18.933000 -0.760000 10.701000 165 " " S B 2 "SER " " HB3" 1 0 0 1 5762 111.62 + 5762 41 18.293000 -2.093000 11.640000 165 " " S B 2 "SER " " HB2" 1 0 0 1 5763 111.62 + 5763 42 20.259000 -0.233000 12.475000 165 " " S B 2 "SER " " HG " 1 0 0 1 5764 111.62 + 5764 25 18.223000 2.060000 11.412000 166 " " G B 2 "GLY " " N " 7 0 0 1 5765 23.32 + 5765 3 18.862000 3.379000 11.404000 166 " " G B 2 "GLY " " CA " 6 0 0 1 5766 23.32 + 5766 2 17.880000 4.543000 11.609000 166 " " G B 2 "GLY " " C " 6 0 0 1 5767 23.32 + 5767 15 18.292000 5.686000 11.417000 166 " " G B 2 "GLY " " O " 8 0 0 1 5768 43.45 + 5768 43 17.934000 1.688000 10.519000 166 " " G B 2 "GLY " " H " 1 0 0 1 5769 23.32 + 5769 41 19.349000 3.509000 10.438000 166 " " G B 2 "GLY " " HA3" 1 0 0 1 5770 23.32 + 5770 41 19.651000 3.439000 12.156000 166 " " G B 2 "GLY " " HA2" 1 0 0 1 5771 23.32 + 5771 25 16.604000 4.278000 11.940000 167 " " V B 2 "VAL " " N " 7 0 0 1 5772 19.14 + 5772 3 15.540000 5.284000 12.006000 167 " " V B 2 "VAL " " CA " 6 0 0 1 5773 19.14 + 5773 2 15.590000 6.115000 13.307000 167 " " V B 2 "VAL " " C " 6 0 0 1 5774 19.14 + 5774 15 15.812000 5.561000 14.384000 167 " " V B 2 "VAL " " O " 8 0 0 1 5775 24.61 + 5775 3 14.136000 4.622000 11.876000 167 " " V B 2 "VAL " " CB " 6 0 0 1 5776 24.61 + 5776 3 12.954000 5.614000 11.960000 167 " " V B 2 "VAL " " CG1" 6 0 0 1 5777 24.61 + 5777 3 14.018000 3.824000 10.563000 167 " " V B 2 "VAL " " CG2" 6 0 0 1 5778 24.61 + 5778 43 16.324000 3.324000 12.119000 167 " " V B 2 "VAL " " H " 1 0 0 1 5779 19.14 + 5779 41 15.657000 5.963000 11.163000 167 " " V B 2 "VAL " " HA " 1 0 0 1 5780 19.14 + 5780 41 14.017000 3.907000 12.692000 167 " " V B 2 "VAL " " HB " 1 0 0 1 5781 24.61 + 5781 41 12.007000 5.119000 11.746000 167 " " V B 2 "VAL " "HG11" 1 0 0 1 5782 24.61 + 5782 41 12.853000 6.055000 12.952000 167 " " V B 2 "VAL " "HG12" 1 0 0 1 5783 24.61 + 5783 41 13.071000 6.427000 11.242000 167 " " V B 2 "VAL " "HG13" 1 0 0 1 5784 24.61 + 5784 41 13.040000 3.353000 10.470000 167 " " V B 2 "VAL " "HG21" 1 0 0 1 5785 24.61 + 5785 41 14.155000 4.473000 9.697000 167 " " V B 2 "VAL " "HG22" 1 0 0 1 5786 24.61 + 5786 41 14.760000 3.029000 10.499000 167 " " V B 2 "VAL " "HG23" 1 0 0 1 5787 24.61 + 5787 25 15.330000 7.425000 13.166000 168 " " H B 2 "HIS " " N " 7 0 2 1 5788 24.45 + 5788 3 15.126000 8.372000 14.258000 168 " " H B 2 "HIS " " CA " 6 0 2 1 5789 24.45 + 5789 2 13.974000 9.295000 13.875000 168 " " H B 2 "HIS " " C " 6 0 2 1 5790 24.45 + 5790 15 14.201000 10.247000 13.131000 168 " " H B 2 "HIS " " O " 8 0 2 1 5791 15.98 + 5791 3 16.402000 9.199000 14.525000 168 " " H B 2 "HIS " " CB " 6 0 2 1 5792 15.98 + 5792 2 17.513000 8.416000 15.155000 168 " " H B 2 "HIS " " CG " 6 0 2 1 5793 15.98 + 5793 25 18.669000 8.078000 14.477000 168 " " H B 2 "HIS " " ND1" 7 0 2 1 5794 15.98 + 5794 2 17.652000 7.900000 16.423000 168 " " H B 2 "HIS " " CD2" 6 0 2 1 5795 15.98 + 5795 2 19.417000 7.364000 15.320000 168 " " H B 2 "HIS " " CE1" 6 0 2 1 5796 15.98 + 5796 25 18.870000 7.228000 16.522000 168 " " H B 2 "HIS " " NE2" 7 0 2 1 5797 15.98 + 5797 43 15.204000 7.799000 12.236000 168 " " H B 2 "HIS " " H " 1 0 2 1 5798 24.45 + 5798 41 14.845000 7.847000 15.174000 168 " " H B 2 "HIS " " HA " 1 0 2 1 5799 24.45 + 5799 41 16.177000 10.029000 15.197000 168 " " H B 2 "HIS " " HB3" 1 0 2 1 5800 15.98 + 5800 41 16.771000 9.647000 13.602000 168 " " H B 2 "HIS " " HB2" 1 0 2 1 5801 15.98 + 5801 43 18.898000 8.311000 13.521000 168 " " H B 2 "HIS " " HD1" 1 0 2 1 5802 15.98 + 5802 41 16.973000 7.952000 17.261000 168 " " H B 2 "HIS " " HD2" 1 0 2 1 5803 15.98 + 5803 41 20.373000 6.942000 15.048000 168 " " H B 2 "HIS " " HE1" 1 0 2 1 5804 15.98 + 5804 25 12.768000 9.009000 14.389000 169 " " T B 2 "THR " " N " 7 0 2 1 5805 2.48 + 5805 3 11.626000 9.912000 14.274000 169 " " T B 2 "THR " " CA " 6 0 2 1 5806 2.48 + 5806 2 11.644000 10.891000 15.460000 169 " " T B 2 "THR " " C " 6 0 2 1 5807 2.48 + 5807 15 11.584000 10.465000 16.614000 169 " " T B 2 "THR " " O " 8 0 2 1 5808 27.07 + 5808 3 10.272000 9.163000 14.240000 169 " " T B 2 "THR " " CB " 6 0 2 1 5809 27.07 + 5809 16 10.277000 8.275000 13.137000 169 " " T B 2 "THR " " OG1" 8 0 2 1 5810 27.07 + 5810 3 9.046000 10.084000 14.091000 169 " " T B 2 "THR " " CG2" 6 0 2 1 5811 27.07 + 5811 43 12.644000 8.200000 14.980000 169 " " T B 2 "THR " " H " 1 0 2 1 5812 2.48 + 5812 41 11.697000 10.479000 13.347000 169 " " T B 2 "THR " " HA " 1 0 2 1 5813 2.48 + 5813 41 10.156000 8.559000 15.142000 169 " " T B 2 "THR " " HB " 1 0 2 1 5814 27.07 + 5814 42 9.418000 7.847000 13.083000 169 " " T B 2 "THR " " HG1" 1 0 2 1 5815 27.07 + 5815 41 8.130000 9.508000 13.954000 169 " " T B 2 "THR " "HG21" 1 0 2 1 5816 27.07 + 5816 41 8.899000 10.712000 14.971000 169 " " T B 2 "THR " "HG22" 1 0 2 1 5817 27.07 + 5817 41 9.157000 10.744000 13.231000 169 " " T B 2 "THR " "HG23" 1 0 2 1 5818 27.07 + 5818 25 11.755000 12.183000 15.132000 170 " " F B 2 "PHE " " N " 7 0 2 1 5819 2.48 + 5819 3 11.807000 13.291000 16.080000 170 " " F B 2 "PHE " " CA " 6 0 2 1 5820 2.48 + 5820 2 10.367000 13.730000 16.382000 170 " " F B 2 "PHE " " C " 6 0 2 1 5821 2.48 + 5821 15 9.593000 13.866000 15.434000 170 " " F B 2 "PHE " " O " 8 0 2 1 5822 32.15 + 5822 3 12.590000 14.446000 15.425000 170 " " F B 2 "PHE " " CB " 6 0 2 1 5823 32.15 + 5823 2 13.999000 14.049000 15.037000 170 " " F B 2 "PHE " " CG " 6 0 2 1 5824 32.15 + 5824 2 14.993000 13.936000 16.027000 170 " " F B 2 "PHE " " CD1" 6 0 2 1 5825 32.15 + 5825 2 14.277000 13.581000 13.735000 170 " " F B 2 "PHE " " CD2" 6 0 2 1 5826 32.15 + 5826 2 16.222000 13.388000 15.699000 170 " " F B 2 "PHE " " CE1" 6 0 2 1 5827 32.15 + 5827 2 15.522000 13.060000 13.426000 170 " " F B 2 "PHE " " CE2" 6 0 2 1 5828 32.15 + 5828 2 16.490000 12.953000 14.410000 170 " " F B 2 "PHE " " CZ " 6 0 2 1 5829 32.15 + 5829 43 11.778000 12.445000 14.154000 170 " " F B 2 "PHE " " H " 1 0 2 1 5830 2.48 + 5830 41 12.341000 12.956000 16.969000 170 " " F B 2 "PHE " " HA " 1 0 2 1 5831 2.48 + 5831 41 12.658000 15.278000 16.127000 170 " " F B 2 "PHE " " HB3" 1 0 2 1 5832 32.15 + 5832 41 12.068000 14.829000 14.547000 170 " " F B 2 "PHE " " HB2" 1 0 2 1 5833 32.15 + 5833 41 14.791000 14.245000 17.043000 170 " " F B 2 "PHE " " HD1" 1 0 2 1 5834 32.15 + 5834 41 13.521000 13.607000 12.970000 170 " " F B 2 "PHE " " HD2" 1 0 2 1 5835 32.15 + 5835 41 16.967000 13.279000 16.461000 170 " " F B 2 "PHE " " HE1" 1 0 2 1 5836 32.15 + 5836 41 15.722000 12.708000 12.426000 170 " " F B 2 "PHE " " HE2" 1 0 2 1 5837 32.15 + 5837 41 17.443000 12.510000 14.175000 170 " " F B 2 "PHE " " HZ " 1 0 2 1 5838 32.15 + 5838 25 10.016000 13.932000 17.673000 171 " " P B 2 "PRO " " N " 7 0 0 1 5839 9.62 + 5839 3 8.653000 14.337000 18.055000 171 " " P B 2 "PRO " " CA " 6 0 0 1 5840 9.62 + 5840 2 8.247000 15.703000 17.476000 171 " " P B 2 "PRO " " C " 6 0 0 1 5841 9.62 + 5841 15 9.098000 16.564000 17.248000 171 " " P B 2 "PRO " " O " 8 0 0 1 5842 13.94 + 5842 3 8.682000 14.328000 19.592000 171 " " P B 2 "PRO " " CB " 6 0 0 1 5843 13.94 + 5843 3 10.136000 14.565000 19.958000 171 " " P B 2 "PRO " " CG " 6 0 0 1 5844 13.94 + 5844 3 10.896000 13.858000 18.840000 171 " " P B 2 "PRO " " CD " 6 0 0 1 5845 13.94 + 5845 41 7.942000 13.586000 17.704000 171 " " P B 2 "PRO " " HA " 1 0 0 1 5846 9.62 + 5846 41 8.375000 13.344000 19.948000 171 " " P B 2 "PRO " " HB3" 1 0 0 1 5847 13.94 + 5847 41 8.015000 15.059000 20.050000 171 " " P B 2 "PRO " " HB2" 1 0 0 1 5848 13.94 + 5848 41 10.398000 14.205000 20.953000 171 " " P B 2 "PRO " " HG3" 1 0 0 1 5849 13.94 + 5849 41 10.341000 15.635000 19.930000 171 " " P B 2 "PRO " " HG2" 1 0 0 1 5850 13.94 + 5850 41 11.865000 14.331000 18.676000 171 " " P B 2 "PRO " " HD2" 1 0 0 1 5851 13.94 + 5851 41 11.062000 12.809000 19.091000 171 " " P B 2 "PRO " " HD3" 1 0 0 1 5852 13.94 + 5852 25 6.941000 15.837000 17.218000 172 " " A B 2 "ALA " " N " 7 0 0 1 5853 2.48 + 5853 3 6.285000 17.012000 16.653000 172 " " A B 2 "ALA " " CA " 6 0 0 1 5854 2.48 + 5854 2 6.576000 18.307000 17.428000 172 " " A B 2 "ALA " " C " 6 0 0 1 5855 2.48 + 5855 15 6.629000 18.275000 18.658000 172 " " A B 2 "ALA " " O " 8 0 0 1 5856 6.4 + 5856 3 4.788000 16.718000 16.694000 172 " " A B 2 "ALA " " CB " 6 0 0 1 5857 6.4 + 5857 43 6.323000 15.070000 17.439000 172 " " A B 2 "ALA " " H " 1 0 0 1 5858 2.48 + 5858 41 6.610000 17.113000 15.616000 172 " " A B 2 "ALA " " HA " 1 0 0 1 5859 2.48 + 5859 41 4.229000 17.389000 16.054000 172 " " A B 2 "ALA " " HB1" 1 0 0 1 5860 6.4 + 5860 41 4.591000 15.701000 16.357000 172 " " A B 2 "ALA " " HB2" 1 0 0 1 5861 6.4 + 5861 41 4.385000 16.810000 17.703000 172 " " A B 2 "ALA " " HB3" 1 0 0 1 5862 6.4 + 5862 25 6.733000 19.419000 16.694000 173 " " V B 2 "VAL " " N " 7 0 2 1 5863 15.14 + 5863 3 6.921000 20.747000 17.275000 173 " " V B 2 "VAL " " CA " 6 0 2 1 5864 15.14 + 5864 2 5.911000 21.706000 16.644000 173 " " V B 2 "VAL " " C " 6 0 2 1 5865 15.14 + 5865 15 5.921000 21.895000 15.428000 173 " " V B 2 "VAL " " O " 8 0 2 1 5866 18.84 + 5866 3 8.353000 21.305000 17.050000 173 " " V B 2 "VAL " " CB " 6 0 2 1 5867 18.84 + 5867 3 8.526000 22.765000 17.519000 173 " " V B 2 "VAL " " CG1" 6 0 2 1 5868 18.84 + 5868 3 9.397000 20.434000 17.762000 173 " " V B 2 "VAL " " CG2" 6 0 2 1 5869 18.84 + 5869 43 6.717000 19.366000 15.685000 173 " " V B 2 "VAL " " H " 1 0 2 1 5870 15.14 + 5870 41 6.736000 20.722000 18.351000 173 " " V B 2 "VAL " " HA " 1 0 2 1 5871 15.14 + 5871 41 8.583000 21.272000 15.984000 173 " " V B 2 "VAL " " HB " 1 0 2 1 5872 18.84 + 5872 41 9.575000 23.060000 17.501000 173 " " V B 2 "VAL " "HG11" 1 0 2 1 5873 18.84 + 5873 41 7.979000 23.473000 16.896000 173 " " V B 2 "VAL " "HG12" 1 0 2 1 5874 18.84 + 5874 41 8.177000 22.891000 18.544000 173 " " V B 2 "VAL " "HG13" 1 0 2 1 5875 18.84 + 5875 41 10.399000 20.838000 17.617000 173 " " V B 2 "VAL " "HG21" 1 0 2 1 5876 18.84 + 5876 41 9.211000 20.384000 18.835000 173 " " V B 2 "VAL " "HG22" 1 0 2 1 5877 18.84 + 5877 41 9.397000 19.415000 17.375000 173 " " V B 2 "VAL " "HG23" 1 0 2 1 5878 18.84 + 5878 25 5.070000 22.291000 17.508000 174 " " L B 2 "LEU " " N " 7 0 2 1 5879 42.87 + 5879 3 4.006000 23.213000 17.141000 174 " " L B 2 "LEU " " CA " 6 0 2 1 5880 42.87 + 5880 2 4.572000 24.581000 16.720000 174 " " L B 2 "LEU " " C " 6 0 2 1 5881 42.87 + 5881 15 5.444000 25.123000 17.399000 174 " " L B 2 "LEU " " O " 8 0 2 1 5882 52.33 + 5882 3 3.024000 23.303000 18.334000 174 " " L B 2 "LEU " " CB " 6 0 2 1 5883 52.33 + 5883 3 1.616000 23.818000 17.980000 174 " " L B 2 "LEU " " CG " 6 0 2 1 5884 52.33 + 5884 3 0.970000 22.971000 16.876000 174 " " L B 2 "LEU " " CD1" 6 0 2 1 5885 52.33 + 5885 3 0.715000 23.891000 19.229000 174 " " L B 2 "LEU " " CD2" 6 0 2 1 5886 52.33 + 5886 43 5.155000 22.089000 18.494000 174 " " L B 2 "LEU " " H " 1 0 2 1 5887 42.87 + 5887 41 3.500000 22.772000 16.283000 174 " " L B 2 "LEU " " HA " 1 0 2 1 5888 42.87 + 5888 41 3.461000 23.919000 19.122000 174 " " L B 2 "LEU " " HB3" 1 0 2 1 5889 52.33 + 5889 41 2.907000 22.309000 18.770000 174 " " L B 2 "LEU " " HB2" 1 0 2 1 5890 52.33 + 5890 41 1.719000 24.836000 17.600000 174 " " L B 2 "LEU " " HG " 1 0 2 1 5891 52.33 + 5891 41 -0.105000 22.856000 17.011000 174 " " L B 2 "LEU " "HD11" 1 0 2 1 5892 52.33 + 5892 41 1.150000 23.441000 15.915000 174 " " L B 2 "LEU " "HD12" 1 0 2 1 5893 52.33 + 5893 41 1.394000 21.974000 16.816000 174 " " L B 2 "LEU " "HD13" 1 0 2 1 5894 52.33 + 5894 41 0.247000 24.872000 19.310000 174 " " L B 2 "LEU " "HD21" 1 0 2 1 5895 52.33 + 5895 41 -0.083000 23.149000 19.216000 174 " " L B 2 "LEU " "HD22" 1 0 2 1 5896 52.33 + 5896 41 1.280000 23.729000 20.148000 174 " " L B 2 "LEU " "HD23" 1 0 2 1 5897 52.33 + 5897 25 4.064000 25.092000 15.591000 175 " " Q B 2 "GLN " " N " 7 0 2 1 5898 48.89 + 5898 3 4.504000 26.321000 14.943000 175 " " Q B 2 "GLN " " CA " 6 0 2 1 5899 48.89 + 5899 2 3.319000 26.828000 14.106000 175 " " Q B 2 "GLN " " C " 6 0 2 1 5900 48.89 + 5900 15 3.156000 26.390000 12.967000 175 " " Q B 2 "GLN " " O " 8 0 2 1 5901 103.34 + 5901 3 5.771000 26.030000 14.096000 175 " " Q B 2 "GLN " " CB " 6 0 2 1 5902 103.34 + 5902 3 6.383000 27.276000 13.413000 175 " " Q B 2 "GLN " " CG " 6 0 2 1 5903 103.34 + 5903 2 7.355000 26.931000 12.279000 175 " " Q B 2 "GLN " " CD " 6 0 2 1 5904 103.34 + 5904 15 7.064000 26.085000 11.437000 175 " " Q B 2 "GLN " " OE1" 8 0 2 1 5905 103.34 + 5905 25 8.501000 27.613000 12.221000 175 " " Q B 2 "GLN " " NE2" 7 0 2 1 5906 103.34 + 5906 43 3.373000 24.560000 15.075000 175 " " Q B 2 "GLN " " H " 1 0 2 1 5907 48.89 + 5907 41 4.745000 27.069000 15.701000 175 " " Q B 2 "GLN " " HA " 1 0 2 1 5908 48.89 + 5908 41 5.524000 25.270000 13.352000 175 " " Q B 2 "GLN " " HB3" 1 0 2 1 5909 103.34 + 5909 41 6.536000 25.577000 14.728000 175 " " Q B 2 "GLN " " HB2" 1 0 2 1 5910 103.34 + 5910 41 6.872000 27.903000 14.160000 175 " " Q B 2 "GLN " " HG3" 1 0 2 1 5911 103.34 + 5911 41 5.602000 27.889000 12.964000 175 " " Q B 2 "GLN " " HG2" 1 0 2 1 5912 103.34 + 5912 43 9.161000 27.425000 11.481000 175 " " Q B 2 "GLN " "HE22" 1 0 2 1 5913 103.34 + 5913 43 8.716000 28.317000 12.911000 175 " " Q B 2 "GLN " "HE21" 1 0 2 1 5914 103.34 + 5914 25 2.510000 27.728000 14.696000 176 " " S B 2 "SER " " N " 7 0 0 1 5915 67.65 + 5915 3 1.317000 28.346000 14.097000 176 " " S B 2 "SER " " CA " 6 0 0 1 5916 67.65 + 5916 2 0.208000 27.312000 13.818000 176 " " S B 2 "SER " " C " 6 0 0 1 5917 67.65 + 5917 15 -0.082000 27.049000 12.651000 176 " " S B 2 "SER " " O " 8 0 0 1 5918 59.15 + 5918 3 1.718000 29.184000 12.848000 176 " " S B 2 "SER " " CB " 6 0 0 1 5919 59.15 + 5919 16 0.608000 29.789000 12.215000 176 " " S B 2 "SER " " OG " 8 0 0 1 5920 59.15 + 5920 43 2.721000 28.022000 15.639000 176 " " S B 2 "SER " " H " 1 0 0 1 5921 67.65 + 5921 41 0.917000 29.036000 14.840000 176 " " S B 2 "SER " " HA " 1 0 0 1 5922 67.65 + 5922 41 2.222000 28.579000 12.095000 176 " " S B 2 "SER " " HB3" 1 0 0 1 5923 59.15 + 5923 41 2.418000 29.969000 13.134000 176 " " S B 2 "SER " " HB2" 1 0 0 1 5924 59.15 + 5924 42 0.062000 29.090000 11.843000 176 " " S B 2 "SER " " HG " 1 0 0 1 5925 59.15 + 5925 25 -0.355000 26.712000 14.890000 177 " " D B 2 "ASP " " N " 7 0 0 1 5926 71.09 + 5926 3 -1.392000 25.658000 14.878000 177 " " D B 2 "ASP " " CA " 6 0 0 1 5927 71.09 + 5927 2 -0.880000 24.290000 14.374000 177 " " D B 2 "ASP " " C " 6 0 0 1 5928 71.09 + 5928 15 -1.369000 23.256000 14.817000 177 " " D B 2 "ASP " " O " 8 0 0 1 5929 91.66 + 5929 3 -2.693000 26.106000 14.142000 177 " " D B 2 "ASP " " CB " 6 0 0 1 5930 91.66 + 5930 2 -3.772000 25.032000 13.954000 177 " " D B 2 "ASP " " CG " 6 0 0 1 5931 91.66 + 5931 15 -4.107000 24.368000 14.959000 177 " " D B 2 "ASP " " OD1" 8 0 0 1 5932 91.66 + 5932 18 -4.290000 24.942000 12.819000 177 " " D B 2 "ASP " " OD2" 8 -1 0 1 5933 91.66 + 5933 43 -0.039000 26.982000 15.810000 177 " " D B 2 "ASP " " H " 1 0 0 1 5934 71.09 + 5934 41 -1.653000 25.508000 15.926000 177 " " D B 2 "ASP " " HA " 1 0 0 1 5935 71.09 + 5935 41 -2.447000 26.470000 13.146000 177 " " D B 2 "ASP " " HB3" 1 0 0 1 5936 91.66 + 5936 41 -3.147000 26.952000 14.658000 177 " " D B 2 "ASP " " HB2" 1 0 0 1 5937 91.66 + 5937 25 0.098000 24.305000 13.468000 178 " " L B 2 "LEU " " N " 7 0 2 1 5938 18.3 + 5938 3 0.534000 23.175000 12.678000 178 " " L B 2 "LEU " " CA " 6 0 2 1 5939 18.3 + 5939 2 1.879000 22.675000 13.205000 178 " " L B 2 "LEU " " C " 6 0 2 1 5940 18.3 + 5940 15 2.740000 23.474000 13.567000 178 " " L B 2 "LEU " " O " 8 0 2 1 5941 22.65 + 5941 3 0.654000 23.660000 11.223000 178 " " L B 2 "LEU " " CB " 6 0 2 1 5942 22.65 + 5942 3 -0.656000 24.240000 10.630000 178 " " L B 2 "LEU " " CG " 6 0 2 1 5943 22.65 + 5943 3 -0.391000 24.952000 9.295000 178 " " L B 2 "LEU " " CD1" 6 0 2 1 5944 22.65 + 5944 3 -1.785000 23.200000 10.517000 178 " " L B 2 "LEU " " CD2" 6 0 2 1 5945 22.65 + 5945 43 0.460000 25.202000 13.172000 178 " " L B 2 "LEU " " H " 1 0 2 1 5946 18.3 + 5946 41 -0.198000 22.369000 12.733000 178 " " L B 2 "LEU " " HA " 1 0 2 1 5947 18.3 + 5947 41 1.000000 22.836000 10.606000 178 " " L B 2 "LEU " " HB3" 1 0 2 1 5948 22.65 + 5948 41 1.435000 24.422000 11.173000 178 " " L B 2 "LEU " " HB2" 1 0 2 1 5949 22.65 + 5949 41 -1.021000 25.022000 11.293000 178 " " L B 2 "LEU " " HG " 1 0 2 1 5950 22.65 + 5950 41 -1.127000 25.738000 9.123000 178 " " L B 2 "LEU " "HD11" 1 0 2 1 5951 22.65 + 5951 41 0.593000 25.420000 9.271000 178 " " L B 2 "LEU " "HD12" 1 0 2 1 5952 22.65 + 5952 41 -0.443000 24.259000 8.455000 178 " " L B 2 "LEU " "HD13" 1 0 2 1 5953 22.65 + 5953 41 -2.285000 23.249000 9.551000 178 " " L B 2 "LEU " "HD21" 1 0 2 1 5954 22.65 + 5954 41 -1.417000 22.183000 10.641000 178 " " L B 2 "LEU " "HD22" 1 0 2 1 5955 22.65 + 5955 41 -2.544000 23.368000 11.281000 178 " " L B 2 "LEU " "HD23" 1 0 2 1 5956 22.65 + 5956 25 2.030000 21.349000 13.226000 179 " " Y B 2 "TYR " " N " 7 0 2 1 5957 9.06 + 5957 3 3.240000 20.679000 13.676000 179 " " Y B 2 "TYR " " CA " 6 0 2 1 5958 9.06 + 5958 2 4.229000 20.479000 12.524000 179 " " Y B 2 "TYR " " C " 6 0 2 1 5959 9.06 + 5959 15 3.831000 20.418000 11.358000 179 " " Y B 2 "TYR " " O " 8 0 2 1 5960 38.74 + 5960 3 2.860000 19.315000 14.260000 179 " " Y B 2 "TYR " " CB " 6 0 2 1 5961 38.74 + 5961 2 1.992000 19.352000 15.502000 179 " " Y B 2 "TYR " " CG " 6 0 2 1 5962 38.74 + 5962 2 0.596000 19.199000 15.373000 179 " " Y B 2 "TYR " " CD1" 6 0 2 1 5963 38.74 + 5963 2 2.564000 19.518000 16.781000 179 " " Y B 2 "TYR " " CD2" 6 0 2 1 5964 38.74 + 5964 2 -0.223000 19.218000 16.515000 179 " " Y B 2 "TYR " " CE1" 6 0 2 1 5965 38.74 + 5965 2 1.742000 19.534000 17.925000 179 " " Y B 2 "TYR " " CE2" 6 0 2 1 5966 38.74 + 5966 2 0.346000 19.393000 17.789000 179 " " Y B 2 "TYR " " CZ " 6 0 2 1 5967 38.74 + 5967 16 -0.463000 19.419000 18.887000 179 " " Y B 2 "TYR " " OH " 8 0 2 1 5968 38.74 + 5968 43 1.285000 20.754000 12.885000 179 " " Y B 2 "TYR " " H " 1 0 2 1 5969 9.06 + 5969 41 3.708000 21.270000 14.460000 179 " " Y B 2 "TYR " " HA " 1 0 2 1 5970 9.06 + 5970 41 3.762000 18.750000 14.484000 179 " " Y B 2 "TYR " " HB3" 1 0 2 1 5971 38.74 + 5971 41 2.328000 18.746000 13.500000 179 " " Y B 2 "TYR " " HB2" 1 0 2 1 5972 38.74 + 5972 41 0.149000 19.059000 14.400000 179 " " Y B 2 "TYR " " HD1" 1 0 2 1 5973 38.74 + 5973 41 3.633000 19.632000 16.888000 179 " " Y B 2 "TYR " " HD2" 1 0 2 1 5974 38.74 + 5974 41 -1.289000 19.084000 16.417000 179 " " Y B 2 "TYR " " HE1" 1 0 2 1 5975 38.74 + 5975 41 2.186000 19.663000 18.901000 179 " " Y B 2 "TYR " " HE2" 1 0 2 1 5976 38.74 + 5976 42 0.022000 19.526000 19.709000 179 " " Y B 2 "TYR " " HH " 1 0 2 1 5977 38.74 + 5977 25 5.501000 20.317000 12.907000 180 " " T B 2 "THR " " N " 7 0 2 1 5978 17.1 + 5978 3 6.562000 19.812000 12.053000 180 " " T B 2 "THR " " CA " 6 0 2 1 5979 17.1 + 5979 2 7.250000 18.664000 12.803000 180 " " T B 2 "THR " " C " 6 0 2 1 5980 17.1 + 5980 15 7.886000 18.888000 13.834000 180 " " T B 2 "THR " " O " 8 0 2 1 5981 42.3 + 5981 3 7.607000 20.903000 11.707000 180 " " T B 2 "THR " " CB " 6 0 2 1 5982 42.3 + 5982 16 6.976000 21.904000 10.934000 180 " " T B 2 "THR " " OG1" 8 0 2 1 5983 42.3 + 5983 3 8.837000 20.398000 10.926000 180 " " T B 2 "THR " " CG2" 6 0 2 1 5984 42.3 + 5984 43 5.743000 20.440000 13.881000 180 " " T B 2 "THR " " H " 1 0 2 1 5985 17.1 + 5985 41 6.148000 19.422000 11.124000 180 " " T B 2 "THR " " HA " 1 0 2 1 5986 17.1 + 5986 41 7.951000 21.386000 12.624000 180 " " T B 2 "THR " " HB " 1 0 2 1 5987 42.3 + 5987 42 6.289000 22.309000 11.471000 180 " " T B 2 "THR " " HG1" 1 0 2 1 5988 42.3 + 5988 41 9.432000 21.229000 10.544000 180 " " T B 2 "THR " "HG21" 1 0 2 1 5989 42.3 + 5989 41 9.496000 19.800000 11.557000 180 " " T B 2 "THR " "HG22" 1 0 2 1 5990 42.3 + 5990 41 8.545000 19.776000 10.083000 180 " " T B 2 "THR " "HG23" 1 0 2 1 5991 42.3 + 5991 25 7.098000 17.461000 12.242000 181 " " L B 2 "LEU " " N " 7 0 2 1 5992 36.25 + 5992 3 7.829000 16.253000 12.590000 181 " " L B 2 "LEU " " CA " 6 0 2 1 5993 36.25 + 5993 2 8.894000 16.023000 11.503000 181 " " L B 2 "LEU " " C " 6 0 2 1 5994 36.25 + 5994 15 8.792000 16.545000 10.392000 181 " " L B 2 "LEU " " O " 8 0 2 1 5995 2.48 + 5995 3 6.793000 15.106000 12.737000 181 " " L B 2 "LEU " " CB " 6 0 2 1 5996 2.48 + 5996 3 7.348000 13.670000 12.924000 181 " " L B 2 "LEU " " CG " 6 0 2 1 5997 2.48 + 5997 3 6.539000 12.844000 13.946000 181 " " L B 2 "LEU " " CD1" 6 0 2 1 5998 2.48 + 5998 3 7.449000 12.926000 11.585000 181 " " L B 2 "LEU " " CD2" 6 0 2 1 5999 2.48 + 5999 43 6.569000 17.398000 11.380000 181 " " L B 2 "LEU " " H " 1 0 2 1 6000 36.25 + 6000 41 8.343000 16.377000 13.546000 181 " " L B 2 "LEU " " HA " 1 0 2 1 6001 36.25 + 6001 41 6.095000 15.114000 11.898000 181 " " L B 2 "LEU " " HB3" 1 0 2 1 6002 2.48 + 6002 41 6.186000 15.368000 13.605000 181 " " L B 2 "LEU " " HB2" 1 0 2 1 6003 2.48 + 6003 41 8.355000 13.737000 13.325000 181 " " L B 2 "LEU " " HG " 1 0 2 1 6004 2.48 + 6004 41 6.264000 11.862000 13.559000 181 " " L B 2 "LEU " "HD11" 1 0 2 1 6005 2.48 + 6005 41 7.120000 12.675000 14.853000 181 " " L B 2 "LEU " "HD12" 1 0 2 1 6006 2.48 + 6006 41 5.614000 13.336000 14.247000 181 " " L B 2 "LEU " "HD13" 1 0 2 1 6007 2.48 + 6007 41 7.777000 11.898000 11.735000 181 " " L B 2 "LEU " "HD21" 1 0 2 1 6008 2.48 + 6008 41 6.484000 12.907000 11.081000 181 " " L B 2 "LEU " "HD22" 1 0 2 1 6009 2.48 + 6009 41 8.158000 13.386000 10.900000 181 " " L B 2 "LEU " "HD23" 1 0 2 1 6010 2.48 + 6010 25 9.911000 15.229000 11.834000 182 " " S B 2 "SER " " N " 7 0 2 1 6011 7.13 + 6011 3 10.900000 14.760000 10.875000 182 " " S B 2 "SER " " CA " 6 0 2 1 6012 7.13 + 6012 2 11.318000 13.338000 11.250000 182 " " S B 2 "SER " " C " 6 0 2 1 6013 7.13 + 6013 15 11.160000 12.927000 12.399000 182 " " S B 2 "SER " " O " 8 0 2 1 6014 17.87 + 6014 3 12.061000 15.774000 10.789000 182 " " S B 2 "SER " " CB " 6 0 2 1 6015 17.87 + 6015 16 12.751000 15.875000 12.017000 182 " " S B 2 "SER " " OG " 8 0 2 1 6016 17.87 + 6016 43 9.973000 14.832000 12.761000 182 " " S B 2 "SER " " H " 1 0 2 1 6017 7.13 + 6017 41 10.431000 14.693000 9.892000 182 " " S B 2 "SER " " HA " 1 0 2 1 6018 7.13 + 6018 41 11.695000 16.761000 10.505000 182 " " S B 2 "SER " " HB3" 1 0 2 1 6019 17.87 + 6019 41 12.770000 15.471000 10.017000 182 " " S B 2 "SER " " HB2" 1 0 2 1 6020 17.87 + 6020 42 13.466000 16.514000 11.930000 182 " " S B 2 "SER " " HG " 1 0 2 1 6021 17.87 + 6021 25 11.839000 12.611000 10.258000 183 " " S B 2 "SER " " N " 7 0 2 1 6022 28.95 + 6022 3 12.401000 11.280000 10.435000 183 " " S B 2 "SER " " CA " 6 0 2 1 6023 28.95 + 6023 2 13.683000 11.173000 9.608000 183 " " S B 2 "SER " " C " 6 0 2 1 6024 28.95 + 6024 15 13.814000 11.864000 8.597000 183 " " S B 2 "SER " " O " 8 0 2 1 6025 27.98 + 6025 3 11.350000 10.217000 10.068000 183 " " S B 2 "SER " " CB " 6 0 2 1 6026 27.98 + 6026 16 11.773000 8.918000 10.431000 183 " " S B 2 "SER " " OG " 8 0 2 1 6027 27.98 + 6027 43 11.929000 13.010000 9.331000 183 " " S B 2 "SER " " H " 1 0 2 1 6028 28.95 + 6028 41 12.679000 11.160000 11.477000 183 " " S B 2 "SER " " HA " 1 0 2 1 6029 28.95 + 6029 41 11.140000 10.239000 8.997000 183 " " S B 2 "SER " " HB3" 1 0 2 1 6030 27.98 + 6030 41 10.412000 10.419000 10.588000 183 " " S B 2 "SER " " HB2" 1 0 2 1 6031 27.98 + 6031 42 11.553000 8.775000 11.358000 183 " " S B 2 "SER " " HG " 1 0 2 1 6032 27.98 + 6032 25 14.605000 10.315000 10.065000 184 " " S B 2 "SER " " N " 7 0 2 1 6033 2.48 + 6033 3 15.906000 10.124000 9.442000 184 " " S B 2 "SER " " CA " 6 0 2 1 6034 2.48 + 6034 2 16.341000 8.664000 9.544000 184 " " S B 2 "SER " " C " 6 0 2 1 6035 2.48 + 6035 15 16.840000 8.240000 10.585000 184 " " S B 2 "SER " " O " 8 0 2 1 6036 9.99 + 6036 3 16.922000 11.145000 9.998000 184 " " S B 2 "SER " " CB " 6 0 2 1 6037 9.99 + 6037 16 17.336000 10.904000 11.326000 184 " " S B 2 "SER " " OG " 8 0 2 1 6038 9.99 + 6038 43 14.438000 9.807000 10.923000 184 " " S B 2 "SER " " H " 1 0 2 1 6039 2.48 + 6039 41 15.797000 10.340000 8.383000 184 " " S B 2 "SER " " HA " 1 0 2 1 6040 2.48 + 6040 41 16.479000 12.134000 9.986000 184 " " S B 2 "SER " " HB3" 1 0 2 1 6041 9.99 + 6041 41 17.808000 11.179000 9.364000 184 " " S B 2 "SER " " HB2" 1 0 2 1 6042 9.99 + 6042 42 17.826000 10.077000 11.347000 184 " " S B 2 "SER " " HG " 1 0 2 1 6043 9.99 + 6043 25 16.164000 7.930000 8.437000 185 " " V B 2 "VAL " " N " 7 0 2 1 6044 9.66 + 6044 3 16.746000 6.607000 8.258000 185 " " V B 2 "VAL " " CA " 6 0 2 1 6045 9.66 + 6045 2 18.190000 6.746000 7.753000 185 " " V B 2 "VAL " " C " 6 0 2 1 6046 9.66 + 6046 15 18.469000 7.635000 6.948000 185 " " V B 2 "VAL " " O " 8 0 2 1 6047 17.22 + 6047 3 15.911000 5.770000 7.261000 185 " " V B 2 "VAL " " CB " 6 0 2 1 6048 17.22 + 6048 3 15.997000 6.201000 5.783000 185 " " V B 2 "VAL " " CG1" 6 0 2 1 6049 17.22 + 6049 3 16.208000 4.275000 7.380000 185 " " V B 2 "VAL " " CG2" 6 0 2 1 6050 17.22 + 6050 43 15.743000 8.345000 7.619000 185 " " V B 2 "VAL " " H " 1 0 2 1 6051 9.66 + 6051 41 16.760000 6.085000 9.213000 185 " " V B 2 "VAL " " HA " 1 0 2 1 6052 9.66 + 6052 41 14.875000 5.893000 7.570000 185 " " V B 2 "VAL " " HB " 1 0 2 1 6053 17.22 + 6053 41 15.295000 5.628000 5.183000 185 " " V B 2 "VAL " "HG11" 1 0 2 1 6054 17.22 + 6054 41 15.756000 7.257000 5.660000 185 " " V B 2 "VAL " "HG12" 1 0 2 1 6055 17.22 + 6055 41 16.984000 6.023000 5.356000 185 " " V B 2 "VAL " "HG13" 1 0 2 1 6056 17.22 + 6056 41 15.415000 3.739000 6.869000 185 " " V B 2 "VAL " "HG21" 1 0 2 1 6057 17.22 + 6057 41 17.165000 4.001000 6.936000 185 " " V B 2 "VAL " "HG22" 1 0 2 1 6058 17.22 + 6058 41 16.206000 3.940000 8.418000 185 " " V B 2 "VAL " "HG23" 1 0 2 1 6059 17.22 + 6059 25 19.079000 5.870000 8.236000 186 " " T B 2 "THR " " N " 7 0 2 1 6060 23.36 + 6060 3 20.476000 5.849000 7.821000 186 " " T B 2 "THR " " CA " 6 0 2 1 6061 23.36 + 6061 2 20.806000 4.437000 7.319000 186 " " T B 2 "THR " " C " 6 0 2 1 6062 23.36 + 6062 15 20.823000 3.490000 8.106000 186 " " T B 2 "THR " " O " 8 0 2 1 6063 38.27 + 6063 3 21.429000 6.259000 8.972000 186 " " T B 2 "THR " " CB " 6 0 2 1 6064 38.27 + 6064 16 21.081000 7.558000 9.415000 186 " " T B 2 "THR " " OG1" 8 0 2 1 6065 38.27 + 6065 3 22.914000 6.296000 8.575000 186 " " T B 2 "THR " " CG2" 6 0 2 1 6066 38.27 + 6066 43 18.794000 5.167000 8.902000 186 " " T B 2 "THR " " H " 1 0 2 1 6067 23.36 + 6067 41 20.644000 6.535000 6.992000 186 " " T B 2 "THR " " HA " 1 0 2 1 6068 23.36 + 6068 41 21.302000 5.581000 9.818000 186 " " T B 2 "THR " " HB " 1 0 2 1 6069 38.27 + 6069 42 20.189000 7.526000 9.770000 186 " " T B 2 "THR " " HG1" 1 0 2 1 6070 38.27 + 6070 41 23.540000 6.587000 9.419000 186 " " T B 2 "THR " "HG21" 1 0 2 1 6071 38.27 + 6071 41 23.258000 5.322000 8.234000 186 " " T B 2 "THR " "HG22" 1 0 2 1 6072 38.27 + 6072 41 23.093000 7.008000 7.770000 186 " " T B 2 "THR " "HG23" 1 0 2 1 6073 38.27 + 6073 25 21.017000 4.345000 5.999000 187 " " V B 2 "VAL " " N " 7 0 2 1 6074 21.81 + 6074 3 21.270000 3.113000 5.254000 187 " " V B 2 "VAL " " CA " 6 0 2 1 6075 21.81 + 6075 2 22.698000 3.166000 4.671000 187 " " V B 2 "VAL " " C " 6 0 2 1 6076 21.81 + 6076 15 23.165000 4.266000 4.381000 187 " " V B 2 "VAL " " O " 8 0 2 1 6077 12.79 + 6077 3 20.277000 2.995000 4.058000 187 " " V B 2 "VAL " " CB " 6 0 2 1 6078 12.79 + 6078 3 18.818000 3.011000 4.537000 187 " " V B 2 "VAL " " CG1" 6 0 2 1 6079 12.79 + 6079 3 20.465000 4.019000 2.916000 187 " " V B 2 "VAL " " CG2" 6 0 2 1 6080 12.79 + 6080 43 21.021000 5.189000 5.443000 187 " " V B 2 "VAL " " H " 1 0 2 1 6081 21.81 + 6081 41 21.141000 2.255000 5.913000 187 " " V B 2 "VAL " " HA " 1 0 2 1 6082 21.81 + 6082 41 20.427000 2.009000 3.619000 187 " " V B 2 "VAL " " HB " 1 0 2 1 6083 12.79 + 6083 41 18.141000 2.722000 3.733000 187 " " V B 2 "VAL " "HG11" 1 0 2 1 6084 12.79 + 6084 41 18.667000 2.316000 5.363000 187 " " V B 2 "VAL " "HG12" 1 0 2 1 6085 12.79 + 6085 41 18.518000 4.002000 4.878000 187 " " V B 2 "VAL " "HG13" 1 0 2 1 6086 12.79 + 6086 41 19.662000 3.937000 2.186000 187 " " V B 2 "VAL " "HG21" 1 0 2 1 6087 12.79 + 6087 41 20.465000 5.039000 3.299000 187 " " V B 2 "VAL " "HG22" 1 0 2 1 6088 12.79 + 6088 41 21.392000 3.868000 2.365000 187 " " V B 2 "VAL " "HG23" 1 0 2 1 6089 12.79 + 6089 25 23.364000 2.007000 4.459000 188 " " P B 2 "PRO " " N " 7 0 0 1 6090 51.13 + 6090 3 24.624000 1.931000 3.686000 188 " " P B 2 "PRO " " CA " 6 0 0 1 6091 51.13 + 6091 2 24.602000 2.666000 2.332000 188 " " P B 2 "PRO " " C " 6 0 0 1 6092 51.13 + 6092 15 23.607000 2.584000 1.615000 188 " " P B 2 "PRO " " O " 8 0 0 1 6093 31.4 + 6093 3 24.845000 0.424000 3.508000 188 " " P B 2 "PRO " " CB " 6 0 0 1 6094 31.4 + 6094 3 24.168000 -0.205000 4.712000 188 " " P B 2 "PRO " " CG " 6 0 0 1 6095 31.4 + 6095 3 22.953000 0.685000 4.933000 188 " " P B 2 "PRO " " CD " 6 0 0 1 6096 31.4 + 6096 41 25.426000 2.322000 4.303000 188 " " P B 2 "PRO " " HA " 1 0 0 1 6097 51.13 + 6097 41 25.900000 0.158000 3.443000 188 " " P B 2 "PRO " " HB3" 1 0 0 1 6098 31.4 + 6098 41 24.363000 0.076000 2.597000 188 " " P B 2 "PRO " " HB2" 1 0 0 1 6099 31.4 + 6099 41 24.832000 -0.131000 5.576000 188 " " P B 2 "PRO " " HG3" 1 0 0 1 6100 31.4 + 6100 41 23.915000 -1.256000 4.570000 188 " " P B 2 "PRO " " HG2" 1 0 0 1 6101 31.4 + 6101 41 22.105000 0.335000 4.343000 188 " " P B 2 "PRO " " HD2" 1 0 0 1 6102 31.4 + 6102 41 22.668000 0.678000 5.985000 188 " " P B 2 "PRO " " HD3" 1 0 0 1 6103 31.4 + 6103 25 25.703000 3.362000 2.006000 189 " " S B 2 "SER " " N " 7 0 0 1 6104 43.36 + 6104 3 25.929000 4.006000 0.704000 189 " " S B 2 "SER " " CA " 6 0 0 1 6105 43.36 + 6105 2 25.878000 3.025000 -0.487000 189 " " S B 2 "SER " " C " 6 0 0 1 6106 43.36 + 6106 15 25.468000 3.416000 -1.577000 189 " " S B 2 "SER " " O " 8 0 0 1 6107 34.16 + 6107 3 27.258000 4.780000 0.772000 189 " " S B 2 "SER " " CB " 6 0 0 1 6108 34.16 + 6108 16 28.362000 3.912000 0.965000 189 " " S B 2 "SER " " OG " 8 0 0 1 6109 34.16 + 6109 43 26.487000 3.391000 2.642000 189 " " S B 2 "SER " " H " 1 0 0 1 6110 43.36 + 6110 41 25.126000 4.731000 0.556000 189 " " S B 2 "SER " " HA " 1 0 0 1 6111 43.36 + 6111 41 27.225000 5.516000 1.575000 189 " " S B 2 "SER " " HB3" 1 0 0 1 6112 34.16 + 6112 41 27.415000 5.339000 -0.152000 189 " " S B 2 "SER " " HB2" 1 0 0 1 6113 34.16 + 6113 42 29.133000 4.445000 1.175000 189 " " S B 2 "SER " " HG " 1 0 0 1 6114 34.16 + 6114 25 26.225000 1.756000 -0.221000 190 " " S B 2 "SER " " N " 7 0 0 1 6115 2.48 + 6115 3 26.108000 0.605000 -1.112000 190 " " S B 2 "SER " " CA " 6 0 0 1 6116 2.48 + 6116 2 24.663000 0.112000 -1.364000 190 " " S B 2 "SER " " C " 6 0 0 1 6117 2.48 + 6117 15 24.496000 -0.771000 -2.204000 190 " " S B 2 "SER " " O " 8 0 0 1 6118 31.21 + 6118 3 27.007000 -0.509000 -0.533000 190 " " S B 2 "SER " " CB " 6 0 0 1 6119 31.21 + 6119 16 26.537000 -0.966000 0.724000 190 " " S B 2 "SER " " OG " 8 0 0 1 6120 31.21 + 6120 43 26.547000 1.534000 0.710000 190 " " S B 2 "SER " " H " 1 0 0 1 6121 2.48 + 6121 41 26.517000 0.895000 -2.082000 190 " " S B 2 "SER " " HA " 1 0 0 1 6122 2.48 + 6122 41 28.031000 -0.152000 -0.420000 190 " " S B 2 "SER " " HB3" 1 0 0 1 6123 31.21 + 6123 41 27.048000 -1.358000 -1.216000 190 " " S B 2 "SER " " HB2" 1 0 0 1 6124 31.21 + 6124 42 27.093000 -1.695000 1.011000 190 " " S B 2 "SER " " HG " 1 0 0 1 6125 31.21 + 6125 25 23.662000 0.664000 -0.654000 191 " " T B 2 "THR " " N " 7 0 0 1 6126 68.58 + 6126 3 22.250000 0.261000 -0.722000 191 " " T B 2 "THR " " CA " 6 0 0 1 6127 68.58 + 6127 2 21.302000 1.436000 -1.072000 191 " " T B 2 "THR " " C " 6 0 0 1 6128 68.58 + 6128 15 20.088000 1.252000 -1.006000 191 " " T B 2 "THR " " O " 8 0 0 1 6129 66.78 + 6129 3 21.781000 -0.417000 0.597000 191 " " T B 2 "THR " " CB " 6 0 0 1 6130 66.78 + 6130 16 21.659000 0.493000 1.673000 191 " " T B 2 "THR " " OG1" 8 0 0 1 6131 66.78 + 6131 3 22.626000 -1.633000 1.010000 191 " " T B 2 "THR " " CG2" 6 0 0 1 6132 66.78 + 6132 43 23.876000 1.392000 0.015000 191 " " T B 2 "THR " " H " 1 0 0 1 6133 68.58 + 6133 41 22.111000 -0.477000 -1.512000 191 " " T B 2 "THR " " HA " 1 0 0 1 6134 68.58 + 6134 41 20.772000 -0.801000 0.434000 191 " " T B 2 "THR " " HB " 1 0 0 1 6135 66.78 + 6135 42 22.491000 0.966000 1.777000 191 " " T B 2 "THR " " HG1" 1 0 0 1 6136 66.78 + 6136 41 22.275000 -2.056000 1.952000 191 " " T B 2 "THR " "HG21" 1 0 0 1 6137 66.78 + 6137 41 22.559000 -2.417000 0.255000 191 " " T B 2 "THR " "HG22" 1 0 0 1 6138 66.78 + 6138 41 23.680000 -1.391000 1.126000 191 " " T B 2 "THR " "HG23" 1 0 0 1 6139 66.78 + 6139 25 21.836000 2.593000 -1.500000 192 " " W B 2 "TRP " " N " 7 0 0 1 6140 76.17 + 6140 3 21.039000 3.712000 -2.014000 192 " " W B 2 "TRP " " CA " 6 0 0 1 6141 76.17 + 6141 2 21.928000 4.611000 -2.899000 192 " " W B 2 "TRP " " C " 6 0 0 1 6142 76.17 + 6142 15 23.016000 4.967000 -2.445000 192 " " W B 2 "TRP " " O " 8 0 0 1 6143 12.21 + 6143 3 20.418000 4.513000 -0.844000 192 " " W B 2 "TRP " " CB " 6 0 0 1 6144 12.21 + 6144 2 19.583000 5.692000 -1.262000 192 " " W B 2 "TRP " " CG " 6 0 0 1 6145 12.21 + 6145 2 18.266000 5.654000 -1.569000 192 " " W B 2 "TRP " " CD1" 6 0 0 1 6146 12.21 + 6146 2 20.021000 7.056000 -1.556000 192 " " W B 2 "TRP " " CD2" 6 0 0 1 6147 12.21 + 6147 25 17.859000 6.895000 -2.020000 192 " " W B 2 "TRP " " NE1" 7 0 0 1 6148 12.21 + 6148 2 18.903000 7.793000 -2.052000 192 " " W B 2 "TRP " " CE2" 6 0 0 1 6149 12.21 + 6149 2 21.256000 7.744000 -1.477000 192 " " W B 2 "TRP " " CE3" 6 0 0 1 6150 12.21 + 6150 2 19.005000 9.137000 -2.452000 192 " " W B 2 "TRP " " CZ2" 6 0 0 1 6151 12.21 + 6151 2 21.372000 9.090000 -1.877000 192 " " W B 2 "TRP " " CZ3" 6 0 0 1 6152 12.21 + 6152 2 20.250000 9.785000 -2.369000 192 " " W B 2 "TRP " " CH2" 6 0 0 1 6153 12.21 + 6153 43 22.840000 2.706000 -1.541000 192 " " W B 2 "TRP " " H " 1 0 0 1 6154 76.17 + 6154 41 20.218000 3.294000 -2.592000 192 " " W B 2 "TRP " " HA " 1 0 0 1 6155 76.17 + 6155 41 21.204000 4.874000 -0.179000 192 " " W B 2 "TRP " " HB3" 1 0 0 1 6156 12.21 + 6156 41 19.788000 3.861000 -0.239000 192 " " W B 2 "TRP " " HB2" 1 0 0 1 6157 12.21 + 6157 41 17.645000 4.774000 -1.490000 192 " " W B 2 "TRP " " HD1" 1 0 0 1 6158 12.21 + 6158 43 16.907000 7.109000 -2.302000 192 " " W B 2 "TRP " " HE1" 1 0 0 1 6159 12.21 + 6159 41 22.129000 7.224000 -1.115000 192 " " W B 2 "TRP " " HE3" 1 0 0 1 6160 12.21 + 6160 41 18.136000 9.663000 -2.823000 192 " " W B 2 "TRP " " HZ2" 1 0 0 1 6161 12.21 + 6161 41 22.328000 9.589000 -1.811000 192 " " W B 2 "TRP " " HZ3" 1 0 0 1 6162 12.21 + 6162 41 20.345000 10.816000 -2.677000 192 " " W B 2 "TRP " " HH2" 1 0 0 1 6163 12.21 + 6163 25 21.455000 5.025000 -4.104000 193 " " P B 2 "PRO " " N " 7 0 0 1 6164 24.25 + 6164 3 20.199000 4.629000 -4.787000 193 " " P B 2 "PRO " " CA " 6 0 0 1 6165 24.25 + 6165 2 20.150000 3.196000 -5.359000 193 " " P B 2 "PRO " " C " 6 0 0 1 6166 24.25 + 6166 15 19.212000 2.902000 -6.101000 193 " " P B 2 "PRO " " O " 8 0 0 1 6167 9.5 + 6167 3 20.037000 5.676000 -5.910000 193 " " P B 2 "PRO " " CB " 6 0 0 1 6168 9.5 + 6168 3 20.941000 6.829000 -5.520000 193 " " P B 2 "PRO " " CG " 6 0 0 1 6169 9.5 + 6169 3 22.096000 6.118000 -4.833000 193 " " P B 2 "PRO " " CD " 6 0 0 1 6170 9.5 + 6170 41 19.373000 4.754000 -4.087000 193 " " P B 2 "PRO " " HA " 1 0 0 1 6171 24.25 + 6171 41 19.002000 5.994000 -6.039000 193 " " P B 2 "PRO " " HB3" 1 0 0 1 6172 9.5 + 6172 41 20.376000 5.277000 -6.869000 193 " " P B 2 "PRO " " HB2" 1 0 0 1 6173 9.5 + 6173 41 20.428000 7.471000 -4.801000 193 " " P B 2 "PRO " " HG3" 1 0 0 1 6174 9.5 + 6174 41 21.249000 7.445000 -6.365000 193 " " P B 2 "PRO " " HG2" 1 0 0 1 6175 9.5 + 6175 41 22.786000 5.694000 -5.564000 193 " " P B 2 "PRO " " HD2" 1 0 0 1 6176 9.5 + 6176 41 22.654000 6.808000 -4.198000 193 " " P B 2 "PRO " " HD3" 1 0 0 1 6177 9.5 + 6177 25 21.127000 2.338000 -5.009000 194 " " S B 2 "SER " " N " 7 0 0 1 6178 62.82 + 6178 3 21.238000 0.926000 -5.398000 194 " " S B 2 "SER " " CA " 6 0 0 1 6179 62.82 + 6179 2 19.958000 0.116000 -5.117000 194 " " S B 2 "SER " " C " 6 0 0 1 6180 62.82 + 6180 15 19.526000 -0.644000 -5.983000 194 " " S B 2 "SER " " O " 8 0 0 1 6181 48.26 + 6181 3 22.417000 0.291000 -4.638000 194 " " S B 2 "SER " " CB " 6 0 0 1 6182 48.26 + 6182 16 23.635000 0.947000 -4.916000 194 " " S B 2 "SER " " OG " 8 0 0 1 6183 48.26 + 6183 43 21.882000 2.671000 -4.427000 194 " " S B 2 "SER " " H " 1 0 0 1 6184 62.82 + 6184 41 21.439000 0.888000 -6.470000 194 " " S B 2 "SER " " HA " 1 0 0 1 6185 62.82 + 6185 41 22.526000 -0.763000 -4.901000 194 " " S B 2 "SER " " HB3" 1 0 0 1 6186 48.26 + 6186 41 22.247000 0.335000 -3.567000 194 " " S B 2 "SER " " HB2" 1 0 0 1 6187 48.26 + 6187 42 24.336000 0.501000 -4.434000 194 " " S B 2 "SER " " HG " 1 0 0 1 6188 48.26 + 6188 25 19.367000 0.347000 -3.933000 195 " " E B 2 "GLU " " N " 7 0 0 1 6189 53.25 + 6189 3 18.067000 -0.169000 -3.519000 195 " " E B 2 "GLU " " CA " 6 0 0 1 6190 53.25 + 6190 2 17.110000 1.017000 -3.302000 195 " " E B 2 "GLU " " C " 6 0 0 1 6191 53.25 + 6191 15 17.549000 2.164000 -3.186000 195 " " E B 2 "GLU " " O " 8 0 0 1 6192 91.22 + 6192 3 18.252000 -0.984000 -2.212000 195 " " E B 2 "GLU " " CB " 6 0 0 1 6193 91.22 + 6193 3 17.336000 -2.214000 -2.076000 195 " " E B 2 "GLU " " CG " 6 0 0 1 6194 91.22 + 6194 2 17.789000 -3.379000 -2.960000 195 " " E B 2 "GLU " " CD " 6 0 0 1 6195 91.22 + 6195 15 17.574000 -3.293000 -4.189000 195 " " E B 2 "GLU " " OE1" 8 0 0 1 6196 91.22 + 6196 18 18.349000 -4.339000 -2.388000 195 " " E B 2 "GLU " " OE2" 8 -1 0 1 6197 91.22 + 6197 43 19.783000 1.009000 -3.293000 195 " " E B 2 "GLU " " H " 1 0 0 1 6198 53.25 + 6198 41 17.649000 -0.790000 -4.311000 195 " " E B 2 "GLU " " HA " 1 0 0 1 6199 53.25 + 6199 41 18.072000 -0.346000 -1.346000 195 " " E B 2 "GLU " " HB3" 1 0 0 1 6200 91.22 + 6200 41 19.290000 -1.307000 -2.108000 195 " " E B 2 "GLU " " HB2" 1 0 0 1 6201 91.22 + 6201 41 16.302000 -1.959000 -2.312000 195 " " E B 2 "GLU " " HG3" 1 0 0 1 6202 91.22 + 6202 41 17.338000 -2.550000 -1.038000 195 " " E B 2 "GLU " " HG2" 1 0 0 1 6203 91.22 + 6203 25 15.807000 0.706000 -3.240000 196 " " T B 2 "THR " " N " 7 0 0 1 6204 83.89 + 6204 3 14.754000 1.682000 -2.965000 196 " " T B 2 "THR " " CA " 6 0 0 1 6205 83.89 + 6205 2 14.609000 1.902000 -1.451000 196 " " T B 2 "THR " " C " 6 0 0 1 6206 83.89 + 6206 15 14.546000 0.936000 -0.689000 196 " " T B 2 "THR " " O " 8 0 0 1 6207 73.26 + 6207 3 13.387000 1.205000 -3.523000 196 " " T B 2 "THR " " CB " 6 0 0 1 6208 73.26 + 6208 16 13.469000 1.180000 -4.935000 196 " " T B 2 "THR " " OG1" 8 0 0 1 6209 73.26 + 6209 3 12.165000 2.066000 -3.135000 196 " " T B 2 "THR " " CG2" 6 0 0 1 6210 73.26 + 6210 43 15.520000 -0.259000 -3.317000 196 " " T B 2 "THR " " H " 1 0 0 1 6211 83.89 + 6211 41 15.010000 2.631000 -3.443000 196 " " T B 2 "THR " " HA " 1 0 0 1 6212 83.89 + 6212 41 13.198000 0.180000 -3.199000 196 " " T B 2 "THR " " HB " 1 0 0 1 6213 73.26 + 6213 42 14.173000 0.577000 -5.186000 196 " " T B 2 "THR " " HG1" 1 0 0 1 6214 73.26 + 6214 41 11.284000 1.785000 -3.713000 196 " " T B 2 "THR " "HG21" 1 0 0 1 6215 73.26 + 6215 41 11.902000 1.943000 -2.084000 196 " " T B 2 "THR " "HG22" 1 0 0 1 6216 73.26 + 6216 41 12.352000 3.126000 -3.301000 196 " " T B 2 "THR " "HG23" 1 0 0 1 6217 73.26 + 6217 25 14.517000 3.184000 -1.073000 197 " " V B 2 "VAL " " N " 7 0 0 1 6218 36.79 + 6218 3 14.174000 3.615000 0.272000 197 " " V B 2 "VAL " " CA " 6 0 0 1 6219 36.79 + 6219 2 12.991000 4.593000 0.144000 197 " " V B 2 "VAL " " C " 6 0 0 1 6220 36.79 + 6220 15 13.096000 5.582000 -0.581000 197 " " V B 2 "VAL " " O " 8 0 0 1 6221 23.47 + 6221 3 15.368000 4.295000 0.995000 197 " " V B 2 "VAL " " CB " 6 0 0 1 6222 23.47 + 6222 3 14.991000 4.793000 2.398000 197 " " V B 2 "VAL " " CG1" 6 0 0 1 6223 23.47 + 6223 3 16.581000 3.354000 1.104000 197 " " V B 2 "VAL " " CG2" 6 0 0 1 6224 23.47 + 6224 43 14.586000 3.918000 -1.762000 197 " " V B 2 "VAL " " H " 1 0 0 1 6225 36.79 + 6225 41 13.868000 2.762000 0.872000 197 " " V B 2 "VAL " " HA " 1 0 0 1 6226 36.79 + 6226 41 15.688000 5.162000 0.412000 197 " " V B 2 "VAL " " HB " 1 0 0 1 6227 23.47 + 6227 41 15.860000 5.163000 2.939000 197 " " V B 2 "VAL " "HG11" 1 0 0 1 6228 23.47 + 6228 41 14.274000 5.605000 2.342000 197 " " V B 2 "VAL " "HG12" 1 0 0 1 6229 23.47 + 6229 41 14.540000 4.001000 2.993000 197 " " V B 2 "VAL " "HG13" 1 0 0 1 6230 23.47 + 6230 41 17.403000 3.840000 1.628000 197 " " V B 2 "VAL " "HG21" 1 0 0 1 6231 23.47 + 6231 41 16.330000 2.443000 1.646000 197 " " V B 2 "VAL " "HG22" 1 0 0 1 6232 23.47 + 6232 41 16.959000 3.063000 0.124000 197 " " V B 2 "VAL " "HG23" 1 0 0 1 6233 23.47 + 6233 25 11.883000 4.269000 0.823000 198 " " T B 2 "THR " " N " 7 0 2 1 6234 26.03 + 6234 3 10.638000 5.031000 0.819000 198 " " T B 2 "THR " " CA " 6 0 2 1 6235 26.03 + 6235 2 10.229000 5.281000 2.274000 198 " " T B 2 "THR " " C " 6 0 2 1 6236 26.03 + 6236 15 10.173000 4.332000 3.053000 198 " " T B 2 "THR " " O " 8 0 2 1 6237 44.26 + 6237 3 9.497000 4.230000 0.119000 198 " " T B 2 "THR " " CB " 6 0 2 1 6238 44.26 + 6238 16 9.695000 4.299000 -1.279000 198 " " T B 2 "THR " " OG1" 8 0 2 1 6239 44.26 + 6239 3 8.042000 4.674000 0.394000 198 " " T B 2 "THR " " CG2" 6 0 2 1 6240 44.26 + 6240 43 11.877000 3.425000 1.384000 198 " " T B 2 "THR " " H " 1 0 2 1 6241 26.03 + 6241 41 10.788000 5.988000 0.321000 198 " " T B 2 "THR " " HA " 1 0 2 1 6242 26.03 + 6242 41 9.580000 3.178000 0.398000 198 " " T B 2 "THR " " HB " 1 0 2 1 6243 44.26 + 6243 42 9.493000 5.191000 -1.570000 198 " " T B 2 "THR " " HG1" 1 0 2 1 6244 44.26 + 6244 41 7.338000 4.097000 -0.207000 198 " " T B 2 "THR " "HG21" 1 0 2 1 6245 44.26 + 6245 41 7.755000 4.525000 1.434000 198 " " T B 2 "THR " "HG22" 1 0 2 1 6246 44.26 + 6246 41 7.888000 5.725000 0.156000 198 " " T B 2 "THR " "HG23" 1 0 2 1 6247 44.26 + 6247 25 9.898000 6.542000 2.591000 199 " " C B 2 "CYS " " N " 7 0 2 1 6248 8.5 + 6248 3 9.225000 6.918000 3.832000 199 " " C B 2 "CYS " " CA " 6 0 2 1 6249 8.5 + 6249 2 7.711000 6.867000 3.581000 199 " " C B 2 "CYS " " C " 6 0 2 1 6250 8.5 + 6250 15 7.246000 7.364000 2.557000 199 " " C B 2 "CYS " " O " 8 0 2 1 6251 2.48 + 6251 3 9.729000 8.303000 4.306000 199 " " C B 2 "CYS " " CB " 6 0 2 1 6252 2.48 + 6252 49 8.741000 9.791000 3.984000 199 " " C B 2 "CYS " " SG " 16 0 2 1 6253 2.48 + 6253 43 9.939000 7.259000 1.878000 199 " " C B 2 "CYS " " H " 1 0 2 1 6254 8.5 + 6254 41 9.483000 6.198000 4.609000 199 " " C B 2 "CYS " " HA " 1 0 2 1 6255 8.5 + 6255 41 10.702000 8.493000 3.862000 199 " " C B 2 "CYS " " HB3" 1 0 2 1 6256 2.48 + 6256 41 9.900000 8.271000 5.382000 199 " " C B 2 "CYS " " HB2" 1 0 2 1 6257 2.48 + 6257 25 6.976000 6.273000 4.526000 200 " " N B 2 "ASN " " N " 7 0 2 1 6258 26.18 + 6258 3 5.520000 6.156000 4.500000 200 " " N B 2 "ASN " " CA " 6 0 2 1 6259 26.18 + 6259 2 4.995000 6.901000 5.733000 200 " " N B 2 "ASN " " C " 6 0 2 1 6260 26.18 + 6260 15 5.382000 6.556000 6.847000 200 " " N B 2 "ASN " " O " 8 0 2 1 6261 10.69 + 6261 3 5.002000 4.685000 4.469000 200 " " N B 2 "ASN " " CB " 6 0 2 1 6262 10.69 + 6262 2 6.032000 3.598000 4.125000 200 " " N B 2 "ASN " " CG " 6 0 2 1 6263 10.69 + 6263 15 6.882000 3.262000 4.947000 200 " " N B 2 "ASN " " OD1" 8 0 2 1 6264 10.69 + 6264 25 5.947000 3.019000 2.928000 200 " " N B 2 "ASN " " ND2" 7 0 2 1 6265 10.69 + 6265 43 7.434000 5.882000 5.342000 200 " " N B 2 "ASN " " H " 1 0 2 1 6266 26.18 + 6266 41 5.098000 6.663000 3.632000 200 " " N B 2 "ASN " " HA " 1 0 2 1 6267 26.18 + 6267 41 4.152000 4.622000 3.789000 200 " " N B 2 "ASN " " HB3" 1 0 2 1 6268 10.69 + 6268 41 4.580000 4.403000 5.431000 200 " " N B 2 "ASN " " HB2" 1 0 2 1 6269 10.69 + 6269 43 6.577000 2.273000 2.674000 200 " " N B 2 "ASN " "HD22" 1 0 2 1 6270 10.69 + 6270 43 5.228000 3.303000 2.266000 200 " " N B 2 "ASN " "HD21" 1 0 2 1 6271 10.69 + 6271 25 4.157000 7.921000 5.514000 201 " " V B 2 "VAL " " N " 7 0 2 1 6272 2.48 + 6272 3 3.666000 8.831000 6.542000 201 " " V B 2 "VAL " " CA " 6 0 2 1 6273 2.48 + 6273 2 2.139000 8.710000 6.605000 201 " " V B 2 "VAL " " C " 6 0 2 1 6274 2.48 + 6274 15 1.459000 9.118000 5.663000 201 " " V B 2 "VAL " " O " 8 0 2 1 6275 8.01 + 6275 3 4.020000 10.300000 6.182000 201 " " V B 2 "VAL " " CB " 6 0 2 1 6276 8.01 + 6276 3 3.432000 11.350000 7.155000 201 " " V B 2 "VAL " " CG1" 6 0 2 1 6277 8.01 + 6277 3 5.540000 10.481000 6.024000 201 " " V B 2 "VAL " " CG2" 6 0 2 1 6278 8.01 + 6278 43 3.869000 8.133000 4.565000 201 " " V B 2 "VAL " " H " 1 0 2 1 6279 2.48 + 6279 41 4.087000 8.598000 7.522000 201 " " V B 2 "VAL " " HA " 1 0 2 1 6280 2.48 + 6280 41 3.591000 10.510000 5.202000 201 " " V B 2 "VAL " " HB " 1 0 2 1 6281 8.01 + 6281 41 3.766000 12.354000 6.903000 201 " " V B 2 "VAL " "HG11" 1 0 2 1 6282 8.01 + 6282 41 2.343000 11.377000 7.127000 201 " " V B 2 "VAL " "HG12" 1 0 2 1 6283 8.01 + 6283 41 3.728000 11.152000 8.184000 201 " " V B 2 "VAL " "HG13" 1 0 2 1 6284 8.01 + 6284 41 5.789000 11.506000 5.769000 201 " " V B 2 "VAL " "HG21" 1 0 2 1 6285 8.01 + 6285 41 6.083000 10.221000 6.929000 201 " " V B 2 "VAL " "HG22" 1 0 2 1 6286 8.01 + 6286 41 5.935000 9.862000 5.219000 201 " " V B 2 "VAL " "HG23" 1 0 2 1 6287 8.01 + 6287 25 1.633000 8.171000 7.721000 202 " " A B 2 "ALA " " N " 7 0 2 1 6288 10.81 + 6288 3 0.203000 8.078000 7.995000 202 " " A B 2 "ALA " " CA " 6 0 2 1 6289 10.81 + 6289 2 -0.213000 9.214000 8.934000 202 " " A B 2 "ALA " " C " 6 0 2 1 6290 10.81 + 6290 15 0.392000 9.360000 9.990000 202 " " A B 2 "ALA " " O " 8 0 2 1 6291 40.49 + 6291 3 -0.099000 6.713000 8.626000 202 " " A B 2 "ALA " " CB " 6 0 2 1 6292 40.49 + 6292 43 2.253000 7.850000 8.453000 202 " " A B 2 "ALA " " H " 1 0 2 1 6293 10.81 + 6293 41 -0.371000 8.145000 7.072000 202 " " A B 2 "ALA " " HA " 1 0 2 1 6294 10.81 + 6294 41 -1.167000 6.598000 8.816000 202 " " A B 2 "ALA " " HB1" 1 0 2 1 6295 40.49 + 6295 41 0.205000 5.901000 7.966000 202 " " A B 2 "ALA " " HB2" 1 0 2 1 6296 40.49 + 6296 41 0.419000 6.585000 9.574000 202 " " A B 2 "ALA " " HB3" 1 0 2 1 6297 40.49 + 6297 25 -1.261000 9.957000 8.555000 203 " " H B 2 "HIS " " N " 7 0 2 1 6298 4.71 + 6298 3 -1.916000 10.968000 9.379000 203 " " H B 2 "HIS " " CA " 6 0 2 1 6299 4.71 + 6299 2 -3.369000 10.511000 9.619000 203 " " H B 2 "HIS " " C " 6 0 2 1 6300 4.71 + 6300 15 -4.238000 10.852000 8.812000 203 " " H B 2 "HIS " " O " 8 0 2 1 6301 36.72 + 6301 3 -1.829000 12.339000 8.685000 203 " " H B 2 "HIS " " CB " 6 0 2 1 6302 36.72 + 6302 2 -2.436000 13.473000 9.478000 203 " " H B 2 "HIS " " CG " 6 0 2 1 6303 36.72 + 6303 25 -3.466000 14.271000 8.976000 203 " " H B 2 "HIS " " ND1" 7 0 2 1 6304 36.72 + 6304 2 -2.133000 13.905000 10.751000 203 " " H B 2 "HIS " " CD2" 6 0 2 1 6305 36.72 + 6305 2 -3.736000 15.141000 9.936000 203 " " H B 2 "HIS " " CE1" 6 0 2 1 6306 36.72 + 6306 25 -2.975000 14.967000 11.012000 203 " " H B 2 "HIS " " NE2" 7 0 2 1 6307 36.72 + 6307 43 -1.712000 9.754000 7.670000 203 " " H B 2 "HIS " " H " 1 0 2 1 6308 4.71 + 6308 41 -1.390000 11.093000 10.322000 203 " " H B 2 "HIS " " HA " 1 0 2 1 6309 4.71 + 6309 41 -2.297000 12.303000 7.703000 203 " " H B 2 "HIS " " HB3" 1 0 2 1 6310 36.72 + 6310 41 -0.785000 12.587000 8.502000 203 " " H B 2 "HIS " " HB2" 1 0 2 1 6311 36.72 + 6311 41 -1.417000 13.555000 11.475000 203 " " H B 2 "HIS " " HD2" 1 0 2 1 6312 36.72 + 6312 41 -4.498000 15.902000 9.854000 203 " " H B 2 "HIS " " HE1" 1 0 2 1 6313 36.72 + 6313 43 -3.015000 15.493000 11.877000 203 " " H B 2 "HIS " " HE2" 1 0 2 1 6314 36.72 + 6314 25 -3.609000 9.716000 10.691000 204 " " P B 2 "PRO " " N " 7 0 0 1 6315 14.11 + 6315 3 -4.925000 9.094000 10.948000 204 " " P B 2 "PRO " " CA " 6 0 0 1 6316 14.11 + 6316 2 -6.088000 10.063000 11.224000 204 " " P B 2 "PRO " " C " 6 0 0 1 6317 14.11 + 6317 15 -7.231000 9.688000 10.966000 204 " " P B 2 "PRO " " O " 8 0 0 1 6318 28.8 + 6318 3 -4.671000 8.159000 12.144000 204 " " P B 2 "PRO " " CB " 6 0 0 1 6319 28.8 + 6319 3 -3.464000 8.753000 12.844000 204 " " P B 2 "PRO " " CG " 6 0 0 1 6320 28.8 + 6320 3 -2.630000 9.280000 11.691000 204 " " P B 2 "PRO " " CD " 6 0 0 1 6321 28.8 + 6321 41 -5.206000 8.494000 10.081000 204 " " P B 2 "PRO " " HA " 1 0 0 1 6322 14.11 + 6322 41 -4.426000 7.162000 11.775000 204 " " P B 2 "PRO " " HB3" 1 0 0 1 6323 28.8 + 6323 41 -5.525000 8.052000 12.815000 204 " " P B 2 "PRO " " HB2" 1 0 0 1 6324 28.8 + 6324 41 -2.932000 8.045000 13.481000 204 " " P B 2 "PRO " " HG3" 1 0 0 1 6325 28.8 + 6325 41 -3.777000 9.593000 13.456000 204 " " P B 2 "PRO " " HG2" 1 0 0 1 6326 28.8 + 6326 41 -1.974000 10.066000 12.052000 204 " " P B 2 "PRO " " HD2" 1 0 0 1 6327 28.8 + 6327 41 -2.017000 8.484000 11.266000 204 " " P B 2 "PRO " " HD3" 1 0 0 1 6328 28.8 + 6328 25 -5.788000 11.288000 11.696000 205 " " A B 2 "ALA " " N " 7 0 0 1 6329 11.23 + 6329 3 -6.773000 12.342000 11.957000 205 " " A B 2 "ALA " " CA " 6 0 0 1 6330 11.23 + 6330 2 -7.481000 12.884000 10.697000 205 " " A B 2 "ALA " " C " 6 0 0 1 6331 11.23 + 6331 15 -8.517000 13.534000 10.839000 205 " " A B 2 "ALA " " O " 8 0 0 1 6332 10.48 + 6332 3 -6.084000 13.485000 12.711000 205 " " A B 2 "ALA " " CB " 6 0 0 1 6333 10.48 + 6333 43 -4.825000 11.524000 11.883000 205 " " A B 2 "ALA " " H " 1 0 0 1 6334 11.23 + 6334 41 -7.539000 11.919000 12.610000 205 " " A B 2 "ALA " " HA " 1 0 0 1 6335 11.23 + 6335 41 -6.825000 14.177000 13.110000 205 " " A B 2 "ALA " " HB1" 1 0 0 1 6336 10.48 + 6336 41 -5.491000 13.121000 13.550000 205 " " A B 2 "ALA " " HB2" 1 0 0 1 6337 10.48 + 6337 41 -5.413000 14.045000 12.061000 205 " " A B 2 "ALA " " HB3" 1 0 0 1 6338 10.48 + 6338 25 -6.926000 12.599000 9.505000 206 " " S B 2 "SER " " N " 7 0 0 1 6339 15.14 + 6339 3 -7.492000 12.941000 8.199000 206 " " S B 2 "SER " " CA " 6 0 0 1 6340 15.14 + 6340 2 -7.595000 11.722000 7.258000 206 " " S B 2 "SER " " C " 6 0 0 1 6341 15.14 + 6341 15 -7.922000 11.915000 6.087000 206 " " S B 2 "SER " " O " 8 0 0 1 6342 18.8 + 6342 3 -6.669000 14.095000 7.584000 206 " " S B 2 "SER " " CB " 6 0 0 1 6343 18.8 + 6343 16 -5.456000 13.661000 7.013000 206 " " S B 2 "SER " " OG " 8 0 0 1 6344 18.8 + 6344 43 -6.060000 12.078000 9.482000 206 " " S B 2 "SER " " H " 1 0 0 1 6345 15.14 + 6345 41 -8.513000 13.300000 8.334000 206 " " S B 2 "SER " " HA " 1 0 0 1 6346 15.14 + 6346 41 -6.423000 14.838000 8.338000 206 " " S B 2 "SER " " HB3" 1 0 0 1 6347 18.8 + 6347 41 -7.247000 14.602000 6.811000 206 " " S B 2 "SER " " HB2" 1 0 0 1 6348 18.8 + 6348 42 -4.776000 13.676000 7.697000 206 " " S B 2 "SER " " HG " 1 0 0 1 6349 18.8 + 6349 25 -7.295000 10.506000 7.760000 207 " " S B 2 "SER " " N " 7 0 0 1 6350 48.24 + 6350 3 -7.277000 9.229000 7.025000 207 " " S B 2 "SER " " CA " 6 0 0 1 6351 48.24 + 6351 2 -6.288000 9.193000 5.833000 207 " " S B 2 "SER " " C " 6 0 0 1 6352 48.24 + 6352 15 -6.480000 8.415000 4.897000 207 " " S B 2 "SER " " O " 8 0 0 1 6353 37.37 + 6353 3 -8.715000 8.816000 6.626000 207 " " S B 2 "SER " " CB " 6 0 0 1 6354 37.37 + 6354 16 -9.453000 8.461000 7.777000 207 " " S B 2 "SER " " OG " 8 0 0 1 6355 37.37 + 6355 43 -7.056000 10.437000 8.739000 207 " " S B 2 "SER " " H " 1 0 0 1 6356 48.24 + 6356 41 -6.894000 8.485000 7.725000 207 " " S B 2 "SER " " HA " 1 0 0 1 6357 48.24 + 6357 41 -8.712000 7.939000 5.979000 207 " " S B 2 "SER " " HB3" 1 0 0 1 6358 37.37 + 6358 41 -9.236000 9.603000 6.082000 207 " " S B 2 "SER " " HB2" 1 0 0 1 6359 37.37 + 6359 42 -9.593000 9.251000 8.306000 207 " " S B 2 "SER " " HG " 1 0 0 1 6360 37.37 + 6360 25 -5.247000 10.039000 5.891000 208 " " T B 2 "THR " " N " 7 0 2 1 6361 47.62 + 6361 3 -4.260000 10.234000 4.832000 208 " " T B 2 "THR " " CA " 6 0 2 1 6362 47.62 + 6362 2 -3.047000 9.319000 5.059000 208 " " T B 2 "THR " " C " 6 0 2 1 6363 47.62 + 6363 15 -2.617000 9.148000 6.198000 208 " " T B 2 "THR " " O " 8 0 2 1 6364 22.86 + 6364 3 -3.780000 11.711000 4.827000 208 " " T B 2 "THR " " CB " 6 0 2 1 6365 22.86 + 6365 16 -4.847000 12.525000 4.386000 208 " " T B 2 "THR " " OG1" 8 0 2 1 6366 22.86 + 6366 3 -2.558000 12.038000 3.953000 208 " " T B 2 "THR " " CG2" 6 0 2 1 6367 22.86 + 6367 43 -5.134000 10.623000 6.708000 208 " " T B 2 "THR " " H " 1 0 2 1 6368 47.62 + 6368 41 -4.707000 10.004000 3.862000 208 " " T B 2 "THR " " HA " 1 0 2 1 6369 47.62 + 6369 41 -3.554000 12.018000 5.848000 208 " " T B 2 "THR " " HB " 1 0 2 1 6370 22.86 + 6370 42 -5.501000 12.579000 5.090000 208 " " T B 2 "THR " " HG1" 1 0 2 1 6371 22.86 + 6371 41 -2.399000 13.115000 3.887000 208 " " T B 2 "THR " "HG21" 1 0 2 1 6372 22.86 + 6372 41 -1.648000 11.612000 4.375000 208 " " T B 2 "THR " "HG22" 1 0 2 1 6373 22.86 + 6373 41 -2.678000 11.658000 2.939000 208 " " T B 2 "THR " "HG23" 1 0 2 1 6374 22.86 + 6374 25 -2.527000 8.753000 3.959000 209 " " K B 2 "LYS " " N " 7 0 2 1 6375 12.96 + 6375 3 -1.354000 7.884000 3.934000 209 " " K B 2 "LYS " " CA " 6 0 2 1 6376 12.96 + 6376 2 -0.536000 8.269000 2.695000 209 " " K B 2 "LYS " " C " 6 0 2 1 6377 12.96 + 6377 15 -0.914000 7.901000 1.583000 209 " " K B 2 "LYS " " O " 8 0 2 1 6378 63 + 6378 3 -1.785000 6.398000 3.916000 209 " " K B 2 "LYS " " CB " 6 0 2 1 6379 63 + 6379 3 -2.584000 5.953000 5.157000 209 " " K B 2 "LYS " " CG " 6 0 2 1 6380 63 + 6380 3 -3.024000 4.478000 5.097000 209 " " K B 2 "LYS " " CD " 6 0 2 1 6381 63 + 6381 3 -4.506000 4.266000 5.446000 209 " " K B 2 "LYS " " CE " 6 0 2 1 6382 63 + 6382 32 -5.396000 4.859000 4.431000 209 " " K B 2 "LYS " " NZ " 7 1 2 1 6383 63 + 6383 43 -2.938000 8.951000 3.057000 209 " " K B 2 "LYS " " H " 1 0 2 1 6384 12.96 + 6384 41 -0.740000 8.053000 4.817000 209 " " K B 2 "LYS " " HA " 1 0 2 1 6385 12.96 + 6385 41 -0.895000 5.771000 3.831000 209 " " K B 2 "LYS " " HB3" 1 0 2 1 6386 63 + 6386 41 -2.382000 6.201000 3.024000 209 " " K B 2 "LYS " " HB2" 1 0 2 1 6387 63 + 6387 41 -3.464000 6.583000 5.271000 209 " " K B 2 "LYS " " HG3" 1 0 2 1 6388 63 + 6388 41 -1.987000 6.120000 6.054000 209 " " K B 2 "LYS " " HG2" 1 0 2 1 6389 63 + 6389 41 -2.415000 3.902000 5.795000 209 " " K B 2 "LYS " " HD3" 1 0 2 1 6390 63 + 6390 41 -2.817000 4.054000 4.113000 209 " " K B 2 "LYS " " HD2" 1 0 2 1 6391 63 + 6391 41 -4.735000 4.693000 6.424000 209 " " K B 2 "LYS " " HE3" 1 0 2 1 6392 63 + 6392 41 -4.720000 3.198000 5.506000 209 " " K B 2 "LYS " " HE2" 1 0 2 1 6393 63 + 6393 44 -5.237000 5.856000 4.383000 209 " " K B 2 "LYS " " HZ1" 1 0 2 1 6394 63 + 6394 44 -5.204000 4.446000 3.529000 209 " " K B 2 "LYS " " HZ2" 1 0 2 1 6395 63 + 6395 44 -6.359000 4.687000 4.681000 209 " " K B 2 "LYS " " HZ3" 1 0 2 1 6396 63 + 6396 25 0.544000 9.034000 2.911000 210 " " V B 2 "VAL " " N " 7 0 2 1 6397 29.33 + 6397 3 1.453000 9.509000 1.868000 210 " " V B 2 "VAL " " CA " 6 0 2 1 6398 29.33 + 6398 2 2.709000 8.625000 1.856000 210 " " V B 2 "VAL " " C " 6 0 2 1 6399 29.33 + 6399 15 3.354000 8.497000 2.894000 210 " " V B 2 "VAL " " O " 8 0 2 1 6400 3.79 + 6400 3 1.900000 10.979000 2.137000 210 " " V B 2 "VAL " " CB " 6 0 2 1 6401 3.79 + 6401 3 3.042000 11.482000 1.225000 210 " " V B 2 "VAL " " CG1" 6 0 2 1 6402 3.79 + 6402 3 0.713000 11.951000 2.040000 210 " " V B 2 "VAL " " CG2" 6 0 2 1 6403 3.79 + 6403 43 0.802000 9.273000 3.860000 210 " " V B 2 "VAL " " H " 1 0 2 1 6404 29.33 + 6404 41 0.970000 9.464000 0.889000 210 " " V B 2 "VAL " " HA " 1 0 2 1 6405 29.33 + 6405 41 2.259000 11.040000 3.165000 210 " " V B 2 "VAL " " HB " 1 0 2 1 6406 3.79 + 6406 41 3.179000 12.558000 1.324000 210 " " V B 2 "VAL " "HG11" 1 0 2 1 6407 3.79 + 6407 41 4.000000 11.018000 1.466000 210 " " V B 2 "VAL " "HG12" 1 0 2 1 6408 3.79 + 6408 41 2.826000 11.280000 0.175000 210 " " V B 2 "VAL " "HG13" 1 0 2 1 6409 3.79 + 6409 41 1.016000 12.973000 2.270000 210 " " V B 2 "VAL " "HG21" 1 0 2 1 6410 3.79 + 6410 41 0.278000 11.947000 1.040000 210 " " V B 2 "VAL " "HG22" 1 0 2 1 6411 3.79 + 6411 41 -0.070000 11.683000 2.744000 210 " " V B 2 "VAL " "HG23" 1 0 2 1 6412 3.79 + 6412 25 3.055000 8.084000 0.678000 211 " " D B 2 "ASP " " N " 7 0 2 1 6413 17.54 + 6413 3 4.309000 7.367000 0.441000 211 " " D B 2 "ASP " " CA " 6 0 2 1 6414 17.54 + 6414 2 5.218000 8.212000 -0.451000 211 " " D B 2 "ASP " " C " 6 0 2 1 6415 17.54 + 6415 15 4.823000 8.592000 -1.555000 211 " " D B 2 "ASP " " O " 8 0 2 1 6416 44.82 + 6416 3 4.147000 5.941000 -0.129000 211 " " D B 2 "ASP " " CB " 6 0 2 1 6417 44.82 + 6417 2 3.453000 4.960000 0.821000 211 " " D B 2 "ASP " " CG " 6 0 2 1 6418 44.82 + 6418 15 2.342000 5.271000 1.301000 211 " " D B 2 "ASP " " OD1" 8 0 2 1 6419 44.82 + 6419 18 4.036000 3.870000 1.007000 211 " " D B 2 "ASP " " OD2" 8 -1 2 1 6420 44.82 + 6420 43 2.467000 8.222000 -0.131000 211 " " D B 2 "ASP " " H " 1 0 2 1 6421 17.54 + 6421 41 4.828000 7.238000 1.391000 211 " " D B 2 "ASP " " HA " 1 0 2 1 6422 17.54 + 6422 41 5.136000 5.542000 -0.360000 211 " " D B 2 "ASP " " HB3" 1 0 2 1 6423 44.82 + 6423 41 3.603000 5.952000 -1.074000 211 " " D B 2 "ASP " " HB2" 1 0 2 1 6424 44.82 + 6424 25 6.423000 8.474000 0.069000 212 " " K B 2 "LYS " " N " 7 0 2 1 6425 21.77 + 6425 3 7.458000 9.286000 -0.547000 212 " " K B 2 "LYS " " CA " 6 0 2 1 6426 21.77 + 6426 2 8.700000 8.439000 -0.812000 212 " " K B 2 "LYS " " C " 6 0 2 1 6427 21.77 + 6427 15 9.332000 7.979000 0.134000 212 " " K B 2 "LYS " " O " 8 0 2 1 6428 22.73 + 6428 3 7.779000 10.486000 0.379000 212 " " K B 2 "LYS " " CB " 6 0 2 1 6429 22.73 + 6429 3 7.262000 11.812000 -0.186000 212 " " K B 2 "LYS " " CG " 6 0 2 1 6430 22.73 + 6430 3 8.045000 12.256000 -1.430000 212 " " K B 2 "LYS " " CD " 6 0 2 1 6431 22.73 + 6431 3 7.462000 13.496000 -2.103000 212 " " K B 2 "LYS " " CE " 6 0 2 1 6432 22.73 + 6432 32 6.142000 13.249000 -2.703000 212 " " K B 2 "LYS " " NZ " 7 1 2 1 6433 22.73 + 6433 43 6.658000 8.096000 0.979000 212 " " K B 2 "LYS " " H " 1 0 2 1 6434 21.77 + 6434 41 7.089000 9.648000 -1.507000 212 " " K B 2 "LYS " " HA " 1 0 2 1 6435 21.77 + 6435 41 8.853000 10.593000 0.542000 212 " " K B 2 "LYS " " HB3" 1 0 2 1 6436 22.73 + 6436 41 7.358000 10.324000 1.372000 212 " " K B 2 "LYS " " HB2" 1 0 2 1 6437 22.73 + 6437 41 7.342000 12.589000 0.571000 212 " " K B 2 "LYS " " HG3" 1 0 2 1 6438 22.73 + 6438 41 6.199000 11.716000 -0.409000 212 " " K B 2 "LYS " " HG2" 1 0 2 1 6439 22.73 + 6439 41 8.122000 11.456000 -2.166000 212 " " K B 2 "LYS " " HD3" 1 0 2 1 6440 22.73 + 6440 41 9.072000 12.471000 -1.135000 212 " " K B 2 "LYS " " HD2" 1 0 2 1 6441 22.73 + 6441 41 8.144000 13.805000 -2.892000 212 " " K B 2 "LYS " " HE3" 1 0 2 1 6442 22.73 + 6442 41 7.374000 14.324000 -1.402000 212 " " K B 2 "LYS " " HE2" 1 0 2 1 6443 22.73 + 6443 44 5.469000 13.028000 -1.984000 212 " " K B 2 "LYS " " HZ1" 1 0 2 1 6444 22.73 + 6444 44 5.867000 14.097000 -3.186000 212 " " K B 2 "LYS " " HZ2" 1 0 2 1 6445 22.73 + 6445 44 6.204000 12.493000 -3.369000 212 " " K B 2 "LYS " " HZ3" 1 0 2 1 6446 22.73 + 6446 25 9.039000 8.297000 -2.099000 213 " " K B 2 "LYS " " N " 7 0 2 1 6447 24.8 + 6447 3 10.295000 7.725000 -2.570000 213 " " K B 2 "LYS " " CA " 6 0 2 1 6448 24.8 + 6448 2 11.318000 8.865000 -2.699000 213 " " K B 2 "LYS " " C " 6 0 2 1 6449 24.8 + 6449 15 10.992000 9.906000 -3.271000 213 " " K B 2 "LYS " " O " 8 0 2 1 6450 66 + 6450 3 10.002000 6.988000 -3.891000 213 " " K B 2 "LYS " " CB " 6 0 2 1 6451 66 + 6451 3 11.180000 6.191000 -4.472000 213 " " K B 2 "LYS " " CG " 6 0 2 1 6452 66 + 6452 3 10.688000 5.051000 -5.380000 213 " " K B 2 "LYS " " CD " 6 0 2 1 6453 66 + 6453 3 11.821000 4.297000 -6.086000 213 " " K B 2 "LYS " " CE " 6 0 2 1 6454 66 + 6454 32 11.328000 3.055000 -6.705000 213 " " K B 2 "LYS " " NZ " 7 1 2 1 6455 66 + 6455 43 8.457000 8.715000 -2.811000 213 " " K B 2 "LYS " " H " 1 0 2 1 6456 24.8 + 6456 41 10.664000 6.996000 -1.847000 213 " " K B 2 "LYS " " HA " 1 0 2 1 6457 24.8 + 6457 41 9.617000 7.677000 -4.645000 213 " " K B 2 "LYS " " HB3" 1 0 2 1 6458 66 + 6458 41 9.190000 6.287000 -3.689000 213 " " K B 2 "LYS " " HB2" 1 0 2 1 6459 66 + 6459 41 11.781000 5.771000 -3.663000 213 " " K B 2 "LYS " " HG3" 1 0 2 1 6460 66 + 6460 41 11.838000 6.860000 -5.029000 213 " " K B 2 "LYS " " HG2" 1 0 2 1 6461 66 + 6461 41 9.997000 5.449000 -6.124000 213 " " K B 2 "LYS " " HD3" 1 0 2 1 6462 66 + 6462 41 10.113000 4.348000 -4.776000 213 " " K B 2 "LYS " " HD2" 1 0 2 1 6463 66 + 6463 41 12.609000 4.036000 -5.379000 213 " " K B 2 "LYS " " HE3" 1 0 2 1 6464 66 + 6464 41 12.279000 4.928000 -6.849000 213 " " K B 2 "LYS " " HE2" 1 0 2 1 6465 66 + 6465 44 10.619000 3.272000 -7.390000 213 " " K B 2 "LYS " " HZ1" 1 0 2 1 6466 66 + 6466 44 12.097000 2.576000 -7.152000 213 " " K B 2 "LYS " " HZ2" 1 0 2 1 6467 66 + 6467 44 10.939000 2.455000 -5.991000 213 " " K B 2 "LYS " " HZ3" 1 0 2 1 6468 66 + 6468 25 12.512000 8.661000 -2.121000 214 " " I B 2 "ILE " " N " 7 0 0 1 6469 32.24 + 6469 3 13.524000 9.706000 -1.897000 214 " " I B 2 "ILE " " CA " 6 0 0 1 6470 32.24 + 6470 2 14.702000 9.490000 -2.908000 214 " " I B 2 "ILE " " C " 6 0 0 1 6471 32.24 + 6471 15 15.419000 8.480000 -2.724000 214 " " I B 2 "ILE " " O " 8 0 0 1 6472 30.24 + 6472 3 13.981000 9.719000 -0.401000 214 " " I B 2 "ILE " " CB " 6 0 0 1 6473 30.24 + 6473 3 14.316000 8.337000 0.198000 214 " " I B 2 "ILE " " CG1" 6 0 0 1 6474 30.24 + 6474 3 12.948000 10.407000 0.513000 214 " " I B 2 "ILE " " CG2" 6 0 0 1 6475 30.24 + 6475 3 15.298000 8.444000 1.352000 214 " " I B 2 "ILE " " CD1" 6 0 0 1 6476 30.24 + 6476 43 12.715000 7.767000 -1.696000 214 " " I B 2 "ILE " " H " 1 0 0 1 6477 32.24 + 6477 41 13.117000 10.698000 -2.112000 214 " " I B 2 "ILE " " HA " 1 0 0 1 6478 32.24 + 6478 41 14.885000 10.329000 -0.343000 214 " " I B 2 "ILE " " HB " 1 0 0 1 6479 30.24 + 6479 41 14.748000 7.665000 -0.539000 214 " " I B 2 "ILE " "HG13" 1 0 0 1 6480 30.24 + 6480 41 13.402000 7.855000 0.544000 214 " " I B 2 "ILE " "HG12" 1 0 0 1 6481 30.24 + 6481 41 12.936000 11.471000 0.325000 214 " " I B 2 "ILE " "HG21" 1 0 0 1 6482 30.24 + 6482 41 11.942000 10.016000 0.356000 214 " " I B 2 "ILE " "HG22" 1 0 0 1 6483 30.24 + 6483 41 13.179000 10.296000 1.571000 214 " " I B 2 "ILE " "HG23" 1 0 0 1 6484 30.24 + 6484 41 15.537000 7.463000 1.755000 214 " " I B 2 "ILE " "HD11" 1 0 0 1 6485 30.24 + 6485 41 16.223000 8.904000 1.010000 214 " " I B 2 "ILE " "HD12" 1 0 0 1 6486 30.24 + 6486 41 14.900000 9.046000 2.166000 214 " " I B 2 "ILE " "HD13" 1 0 0 1 6487 30.24 + 6487 25 14.781000 10.452000 -3.894000 214 "A" X B 2 "NMA " " N " 7 0 0 1 6488 <> + 6488 3 15.816000 10.366000 -4.914000 214 "A" X B 2 "NMA " " CA " 6 0 0 1 6489 <> + 6489 43 14.121000 11.215000 -3.908000 214 "A" X B 2 "NMA " " H " 1 0 0 1 6490 <> + 6490 41 16.435000 9.461000 -4.722000 214 "A" X B 2 "NMA " "1HA " 1 0 0 1 6491 <> + 6491 41 15.348000 10.296000 -5.921000 214 "A" X B 2 "NMA " "2HA " 1 0 0 1 6492 <> + 6492 41 16.458000 11.275000 -4.876000 214 "A" X B 2 "NMA " "3HA " 1 0 0 1 6493 <> + ::: + } + m_bond[6578] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 4 1 + 3 1 5 1 + 4 1 6 1 + 5 2 3 2 + 6 2 7 1 + 7 7 8 1 + 8 7 15 1 + 9 8 9 1 + 10 8 11 1 + 11 8 16 1 + 12 9 10 2 + 13 9 19 1 + 14 11 12 1 + 15 11 17 1 + 16 11 18 1 + 17 12 13 2 + 18 12 14 1 + 19 19 20 1 + 20 19 27 1 + 21 20 21 1 + 22 20 23 1 + 23 20 28 1 + 24 21 22 2 + 25 21 38 1 + 26 23 24 1 + 27 23 25 1 + 28 23 29 1 + 29 24 26 1 + 30 24 30 1 + 31 24 31 1 + 32 25 32 1 + 33 25 33 1 + 34 25 34 1 + 35 26 35 1 + 36 26 36 1 + 37 26 37 1 + 38 38 39 1 + 39 38 47 1 + 40 39 40 1 + 41 39 42 1 + 42 39 48 1 + 43 40 41 2 + 44 40 60 1 + 45 42 43 1 + 46 42 49 1 + 47 42 50 1 + 48 43 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127.84 1 + 2 3 -10.103000 -32.072000 -3.167000 1 M A 2 "MET " " CA " 6 0 0 1 115.87 2 + 3 2 -8.567000 -32.200000 -3.206000 1 M A 2 "MET " " C " 6 0 0 1 107.71 3 + 4 15 -7.977000 -32.870000 -2.354000 1 M A 2 "MET " " O " 8 0 0 1 102.24 4 + 5 3 -10.539000 -31.103000 -2.042000 1 M A 2 "MET " " CB " 6 0 0 1 116.29 5 + 6 3 -12.045000 -30.795000 -1.978000 1 M A 2 "MET " " CG " 6 0 0 1 124.01 6 + 7 49 -12.533000 -29.231000 -2.757000 1 M A 2 "MET " " SD " 16 0 0 1 133.22 7 + 8 3 -12.065000 -28.052000 -1.461000 1 M A 2 "MET " " CE " 6 0 0 1 128.62 8 + 9 44 -11.618000 -33.440000 -2.855000 1 M A 2 "MET " " H1 " 1 0 0 1 127.84 9 + 10 44 -10.322000 -34.062000 -3.669000 1 M A 2 "MET " " H2 " 1 0 0 1 127.84 10 + 11 44 -10.223000 -33.790000 -2.037000 1 M A 2 "MET " " H3 " 1 0 0 1 127.84 11 + 12 41 -10.509000 -31.779000 -4.137000 1 M A 2 "MET " " HA " 1 0 0 1 115.87 12 + 13 41 -10.018000 -30.158000 -2.191000 1 M A 2 "MET " " HB3" 1 0 0 1 116.29 13 + 14 41 -10.210000 -31.478000 -1.071000 1 M A 2 "MET " " HB2" 1 0 0 1 116.29 14 + 15 41 -12.369000 -30.767000 -0.937000 1 M A 2 "MET " " HG3" 1 0 0 1 124.01 15 + 16 41 -12.617000 -31.596000 -2.445000 1 M A 2 "MET " " HG2" 1 0 0 1 124.01 16 + 17 41 -12.414000 -27.053000 -1.719000 1 M A 2 "MET " " HE1" 1 0 0 1 128.62 17 + 18 41 -12.505000 -28.332000 -0.504000 1 M A 2 "MET " " HE2" 1 0 0 1 128.62 18 + 19 41 -10.983000 -28.016000 -1.353000 1 M A 2 "MET " " HE3" 1 0 0 1 128.62 19 + 20 25 -7.943000 -31.504000 -4.172000 2 E A 2 "GLU " " N " 7 0 0 1 99.18 20 + 21 3 -6.502000 -31.253000 -4.207000 2 E A 2 "GLU " " CA " 6 0 0 1 97.54 21 + 22 2 -6.133000 -30.241000 -3.116000 2 E A 2 "GLU " " C " 6 0 0 1 91.3 22 + 23 15 -6.935000 -29.351000 -2.833000 2 E A 2 "GLU " " O " 8 0 0 1 90.67 23 + 24 3 -6.064000 -30.685000 -5.580000 2 E A 2 "GLU " " CB " 6 0 0 1 100.41 24 + 25 3 -6.353000 -31.577000 -6.807000 2 E A 2 "GLU " " CG " 6 0 0 1 110.35 25 + 26 2 -7.677000 -31.284000 -7.526000 2 E A 2 "GLU " " CD " 6 0 0 1 126.35 26 + 27 15 -8.662000 -30.925000 -6.843000 2 E A 2 "GLU " " OE1" 8 0 0 1 132.85 27 + 28 18 -7.677000 -31.428000 -8.767000 2 E A 2 "GLU " " OE2" 8 -1 0 1 133.45 28 + 29 43 -8.479000 -31.037000 -4.895000 2 E A 2 "GLU " " H " 1 0 0 1 99.18 29 + 30 41 -5.974000 -32.191000 -4.025000 2 E A 2 "GLU " " HA " 1 0 0 1 97.54 30 + 31 41 -4.987000 -30.510000 -5.550000 2 E A 2 "GLU " " HB3" 1 0 0 1 100.41 31 + 32 41 -6.500000 -29.695000 -5.730000 2 E A 2 "GLU " " HB2" 1 0 0 1 100.41 32 + 33 41 -6.320000 -32.631000 -6.532000 2 E A 2 "GLU " " HG3" 1 0 0 1 110.35 33 + 34 41 -5.552000 -31.432000 -7.533000 2 E A 2 "GLU " " HG2" 1 0 0 1 110.35 34 + 35 25 -4.906000 -30.352000 -2.575000 3 L A 2 "LEU " " N " 7 0 1 1 84.1 35 + 36 3 -4.355000 -29.411000 -1.590000 3 L A 2 "LEU " " CA " 6 0 1 1 74.92 36 + 37 2 -4.351000 -27.958000 -2.111000 3 L A 2 "LEU " " C " 6 0 1 1 74.54 37 + 38 15 -4.679000 -27.054000 -1.347000 3 L A 2 "LEU " " O " 8 0 1 1 68.18 38 + 39 3 -2.931000 -29.854000 -1.172000 3 L A 2 "LEU " " CB " 6 0 1 1 64.11 39 + 40 3 -2.621000 -29.746000 0.341000 3 L A 2 "LEU " " CG " 6 0 1 1 51.95 40 + 41 3 -1.157000 -30.119000 0.623000 3 L A 2 "LEU " " CD1" 6 0 1 1 70.29 41 + 42 3 -2.932000 -28.374000 0.949000 3 L A 2 "LEU " " CD2" 6 0 1 1 63.05 42 + 43 43 -4.302000 -31.110000 -2.856000 3 L A 2 "LEU " " H " 1 0 1 1 84.1 43 + 44 41 -5.013000 -29.462000 -0.721000 3 L A 2 "LEU " " HA " 1 0 1 1 74.92 44 + 45 41 -2.185000 -29.298000 -1.743000 3 L A 2 "LEU " " HB3" 1 0 1 1 64.11 45 + 46 41 -2.777000 -30.897000 -1.453000 3 L A 2 "LEU " " HB2" 1 0 1 1 64.11 46 + 47 41 -3.252000 -30.471000 0.858000 3 L A 2 "LEU " " HG " 1 0 1 1 51.95 47 + 48 41 -1.107000 -31.039000 1.205000 3 L A 2 "LEU " "HD11" 1 0 1 1 70.29 48 + 49 41 -0.595000 -30.263000 -0.298000 3 L A 2 "LEU " "HD12" 1 0 1 1 70.29 49 + 50 41 -0.625000 -29.356000 1.190000 3 L A 2 "LEU " "HD13" 1 0 1 1 70.29 50 + 51 41 -2.535000 -28.281000 1.958000 3 L A 2 "LEU " "HD21" 1 0 1 1 63.05 51 + 52 41 -2.468000 -27.599000 0.348000 3 L A 2 "LEU " "HD22" 1 0 1 1 63.05 52 + 53 41 -4.003000 -28.186000 1.011000 3 L A 2 "LEU " "HD23" 1 0 1 1 63.05 53 + 54 25 -4.064000 -27.792000 -3.417000 4 I A 2 "ILE " " N " 7 0 1 1 66.93 54 + 55 3 -4.089000 -26.537000 -4.175000 4 I A 2 "ILE " " CA " 6 0 1 1 64.39 55 + 56 2 -5.406000 -25.756000 -3.991000 4 I A 2 "ILE " " C " 6 0 1 1 64.83 56 + 57 15 -5.356000 -24.561000 -3.710000 4 I A 2 "ILE " " O " 8 0 1 1 66.5 57 + 58 3 -3.917000 -26.785000 -5.710000 4 I A 2 "ILE " " CB " 6 0 1 1 68.44 58 + 59 3 -2.747000 -27.735000 -6.054000 4 I A 2 "ILE " " CG1" 6 0 1 1 74.66 59 + 60 3 -3.804000 -25.479000 -6.531000 4 I A 2 "ILE " " CG2" 6 0 1 1 71.51 60 + 61 3 -1.388000 -27.271000 -5.530000 4 I A 2 "ILE " " CD1" 6 0 1 1 85.53 61 + 62 43 -3.829000 -28.611000 -3.958000 4 I A 2 "ILE " " H " 1 0 1 1 66.93 62 + 63 41 -3.271000 -25.912000 -3.812000 4 I A 2 "ILE " " HA " 1 0 1 1 64.39 63 + 64 41 -4.811000 -27.297000 -6.070000 4 I A 2 "ILE " " HB " 1 0 1 1 68.44 64 + 65 41 -2.689000 -27.868000 -7.135000 4 I A 2 "ILE " "HG13" 1 0 1 1 74.66 65 + 66 41 -2.952000 -28.731000 -5.659000 4 I A 2 "ILE " "HG12" 1 0 1 1 74.66 66 + 67 41 -3.632000 -25.692000 -7.586000 4 I A 2 "ILE " "HG21" 1 0 1 1 71.51 67 + 68 41 -4.713000 -24.879000 -6.482000 4 I A 2 "ILE " "HG22" 1 0 1 1 71.51 68 + 69 41 -2.983000 -24.854000 -6.183000 4 I A 2 "ILE " "HG23" 1 0 1 1 71.51 69 + 70 41 -0.587000 -27.909000 -5.904000 4 I A 2 "ILE " "HD11" 1 0 1 1 85.53 70 + 71 41 -1.165000 -26.250000 -5.834000 4 I A 2 "ILE " "HD12" 1 0 1 1 85.53 71 + 72 41 -1.368000 -27.302000 -4.443000 4 I A 2 "ILE " "HD13" 1 0 1 1 85.53 72 + 73 25 -6.546000 -26.461000 -4.111000 5 T A 2 "THR " " N " 7 0 1 1 63.91 73 + 74 3 -7.888000 -25.900000 -3.968000 5 T A 2 "THR " " CA " 6 0 1 1 68.92 74 + 75 2 -8.174000 -25.375000 -2.548000 5 T A 2 "THR " " C " 6 0 1 1 71.45 75 + 76 15 -8.737000 -24.288000 -2.435000 5 T A 2 "THR " " O " 8 0 1 1 79.08 76 + 77 3 -8.985000 -26.930000 -4.347000 5 T A 2 "THR " " CB " 6 0 1 1 66.78 77 + 78 16 -8.760000 -27.371000 -5.672000 5 T A 2 "THR " " OG1" 8 0 1 1 57.41 78 + 79 3 -10.433000 -26.411000 -4.260000 5 T A 2 "THR " " CG2" 6 0 1 1 60.47 79 + 80 43 -6.505000 -27.447000 -4.326000 5 T A 2 "THR " " H " 1 0 1 1 63.91 80 + 81 41 -7.959000 -25.053000 -4.654000 5 T A 2 "THR " " HA " 1 0 1 1 68.92 81 + 82 41 -8.901000 -27.805000 -3.702000 5 T A 2 "THR " " HB " 1 0 1 1 66.78 82 + 83 42 -9.453000 -27.989000 -5.919000 5 T A 2 "THR " " HG1" 1 0 1 1 57.41 83 + 84 41 -11.140000 -27.156000 -4.625000 5 T A 2 "THR " "HG21" 1 0 1 1 60.47 84 + 85 41 -10.718000 -26.173000 -3.236000 5 T A 2 "THR " "HG22" 1 0 1 1 60.47 85 + 86 41 -10.563000 -25.510000 -4.860000 5 T A 2 "THR " "HG23" 1 0 1 1 60.47 86 + 87 25 -7.750000 -26.109000 -1.499000 6 I A 2 "ILE " " N " 7 0 1 1 70.15 87 + 88 3 -7.910000 -25.656000 -0.114000 6 I A 2 "ILE " " CA " 6 0 1 1 65.75 88 + 89 2 -7.003000 -24.451000 0.218000 6 I A 2 "ILE " " C " 6 0 1 1 64.29 89 + 90 15 -7.485000 -23.525000 0.868000 6 I A 2 "ILE " " O " 8 0 1 1 67.36 90 + 91 3 -7.706000 -26.767000 0.964000 6 I A 2 "ILE " " CB " 6 0 1 1 69.79 91 + 92 3 -8.779000 -27.874000 0.868000 6 I A 2 "ILE " " CG1" 6 0 1 1 68.25 92 + 93 3 -7.760000 -26.179000 2.385000 6 I A 2 "ILE " " CG2" 6 0 1 1 72.6 93 + 94 3 -8.458000 -28.957000 -0.158000 6 I A 2 "ILE " " CD1" 6 0 1 1 81.42 94 + 95 43 -7.266000 -26.984000 -1.646000 6 I A 2 "ILE " " H " 1 0 1 1 70.15 95 + 96 41 -8.940000 -25.305000 -0.015000 6 I A 2 "ILE " " HA " 1 0 1 1 65.75 96 + 97 41 -6.724000 -27.224000 0.833000 6 I A 2 "ILE " " HB " 1 0 1 1 69.79 97 + 98 41 -9.756000 -27.436000 0.664000 6 I A 2 "ILE " "HG13" 1 0 1 1 68.25 98 + 99 41 -8.889000 -28.381000 1.827000 6 I A 2 "ILE " "HG12" 1 0 1 1 68.25 99 + 100 41 -7.883000 -26.928000 3.158000 6 I A 2 "ILE " "HG21" 1 0 1 1 72.6 100 + 101 41 -6.857000 -25.624000 2.622000 6 I A 2 "ILE " "HG22" 1 0 1 1 72.6 101 + 102 41 -8.599000 -25.496000 2.459000 6 I A 2 "ILE " "HG23" 1 0 1 1 72.6 102 + 103 41 -9.005000 -29.870000 0.070000 6 I A 2 "ILE " "HD11" 1 0 1 1 81.42 103 + 104 41 -8.734000 -28.632000 -1.159000 6 I A 2 "ILE " "HD12" 1 0 1 1 81.42 104 + 105 41 -7.398000 -29.209000 -0.160000 6 I A 2 "ILE " "HD13" 1 0 1 1 81.42 105 + 106 25 -5.742000 -24.461000 -0.254000 7 L A 2 "LEU " " N " 7 0 1 1 66.05 106 + 107 3 -4.787000 -23.356000 -0.092000 7 L A 2 "LEU " " CA " 6 0 1 1 67.18 107 + 108 2 -5.306000 -22.032000 -0.674000 7 L A 2 "LEU " " C " 6 0 1 1 72.16 108 + 109 15 -5.129000 -20.993000 -0.041000 7 L A 2 "LEU " " O " 8 0 1 1 75.02 109 + 110 3 -3.435000 -23.712000 -0.744000 7 L A 2 "LEU " " CB " 6 0 1 1 53.87 110 + 111 3 -2.642000 -24.806000 -0.011000 7 L A 2 "LEU " " CG " 6 0 1 1 56.06 111 + 112 3 -1.483000 -25.307000 -0.892000 7 L A 2 "LEU " " CD1" 6 0 1 1 46.6 112 + 113 3 -2.170000 -24.375000 1.392000 7 L A 2 "LEU " " CD2" 6 0 1 1 41.83 113 + 114 43 -5.414000 -25.262000 -0.779000 7 L A 2 "LEU " " H " 1 0 1 1 66.05 114 + 115 41 -4.644000 -23.201000 0.979000 7 L A 2 "LEU " " HA " 1 0 1 1 67.18 115 + 116 41 -2.804000 -22.828000 -0.819000 7 L A 2 "LEU " " HB3" 1 0 1 1 53.87 116 + 117 41 -3.613000 -24.026000 -1.773000 7 L A 2 "LEU " " HB2" 1 0 1 1 53.87 117 + 118 41 -3.322000 -25.636000 0.149000 7 L A 2 "LEU " " HG " 1 0 1 1 56.06 118 + 119 41 -0.626000 -25.644000 -0.309000 7 L A 2 "LEU " "HD11" 1 0 1 1 46.6 119 + 120 41 -1.803000 -26.151000 -1.504000 7 L A 2 "LEU " "HD12" 1 0 1 1 46.6 120 + 121 41 -1.140000 -24.526000 -1.569000 7 L A 2 "LEU " "HD13" 1 0 1 1 46.6 121 + 122 41 -1.102000 -24.507000 1.537000 7 L A 2 "LEU " "HD21" 1 0 1 1 41.83 122 + 123 41 -2.389000 -23.328000 1.600000 7 L A 2 "LEU " "HD22" 1 0 1 1 41.83 123 + 124 41 -2.664000 -24.971000 2.158000 7 L A 2 "LEU " "HD23" 1 0 1 1 41.83 124 + 125 25 -5.976000 -22.103000 -1.834000 8 E A 2 "GLU " " N " 7 0 1 1 75.3 125 + 126 3 -6.636000 -20.972000 -2.483000 8 E A 2 "GLU " " CA " 6 0 1 1 76.06 126 + 127 2 -7.870000 -20.451000 -1.723000 8 E A 2 "GLU " " C " 6 0 1 1 71 127 + 128 15 -8.106000 -19.243000 -1.744000 8 E A 2 "GLU " " O " 8 0 1 1 65.09 128 + 129 3 -6.975000 -21.353000 -3.936000 8 E A 2 "GLU " " CB " 6 0 1 1 70.6 129 + 130 3 -5.717000 -21.455000 -4.825000 8 E A 2 "GLU " " CG " 6 0 1 1 87.03 130 + 131 2 -5.987000 -21.940000 -6.252000 8 E A 2 "GLU " " CD " 6 0 1 1 97.98 131 + 132 15 -5.002000 -21.957000 -7.024000 8 E A 2 "GLU " " OE1" 8 0 1 1 99.57 132 + 133 18 -7.151000 -22.280000 -6.557000 8 E A 2 "GLU " " OE2" 8 -1 1 1 106.47 133 + 134 43 -6.064000 -22.995000 -2.303000 8 E A 2 "GLU " " H " 1 0 1 1 75.3 134 + 135 41 -5.927000 -20.145000 -2.507000 8 E A 2 "GLU " " HA " 1 0 1 1 76.06 135 + 136 41 -7.657000 -20.618000 -4.366000 8 E A 2 "GLU " " HB3" 1 0 1 1 70.6 136 + 137 41 -7.511000 -22.303000 -3.943000 8 E A 2 "GLU " " HB2" 1 0 1 1 70.6 137 + 138 41 -4.983000 -22.122000 -4.376000 8 E A 2 "GLU " " HG3" 1 0 1 1 87.03 138 + 139 41 -5.238000 -20.478000 -4.889000 8 E A 2 "GLU " " HG2" 1 0 1 1 87.03 139 + 140 25 -8.606000 -21.342000 -1.035000 9 K A 2 "LYS " " N " 7 0 1 1 68.47 140 + 141 3 -9.771000 -20.989000 -0.217000 9 K A 2 "LYS " " CA " 6 0 1 1 70.94 141 + 142 2 -9.444000 -20.285000 1.117000 9 K A 2 "LYS " " C " 6 0 1 1 72.76 142 + 143 15 -10.367000 -19.742000 1.724000 9 K A 2 "LYS " " O " 8 0 1 1 79.04 143 + 144 3 -10.676000 -22.221000 -0.021000 9 K A 2 "LYS " " CB " 6 0 1 1 73.73 144 + 145 3 -11.473000 -22.587000 -1.282000 9 K A 2 "LYS " " CG " 6 0 1 1 78.8 145 + 146 3 -12.498000 -23.697000 -1.023000 9 K A 2 "LYS " " CD " 6 0 1 1 89.64 146 + 147 3 -13.279000 -24.077000 -2.289000 9 K A 2 "LYS " " CE " 6 0 1 1 95.93 147 + 148 32 -14.568000 -24.701000 -1.949000 9 K A 2 "LYS " " NZ " 7 1 1 1 97.85 148 + 149 43 -8.352000 -22.320000 -1.054000 9 K A 2 "LYS " " H " 1 0 1 1 68.47 149 + 150 41 -10.344000 -20.263000 -0.792000 9 K A 2 "LYS " " HA " 1 0 1 1 70.94 150 + 151 41 -11.405000 -22.008000 0.763000 9 K A 2 "LYS " " HB3" 1 0 1 1 73.73 151 + 152 41 -10.095000 -23.076000 0.322000 9 K A 2 "LYS " " HB2" 1 0 1 1 73.73 152 + 153 41 -10.800000 -22.881000 -2.085000 9 K A 2 "LYS " " HG3" 1 0 1 1 78.8 153 + 154 41 -12.000000 -21.702000 -1.642000 9 K A 2 "LYS " " HG2" 1 0 1 1 78.8 154 + 155 41 -13.185000 -23.366000 -0.242000 9 K A 2 "LYS " " HD3" 1 0 1 1 89.64 155 + 156 41 -11.992000 -24.579000 -0.628000 9 K A 2 "LYS " " HD2" 1 0 1 1 89.64 156 + 157 41 -12.692000 -24.746000 -2.918000 9 K A 2 "LYS " " HE3" 1 0 1 1 95.93 157 + 158 41 -13.490000 -23.191000 -2.887000 9 K A 2 "LYS " " HE2" 1 0 1 1 95.93 158 + 159 44 -15.109000 -24.038000 -1.402000 9 K A 2 "LYS " " HZ1" 1 0 1 1 97.85 159 + 160 44 -15.074000 -24.920000 -2.795000 9 K A 2 "LYS " " HZ2" 1 0 1 1 97.85 160 + 161 44 -14.419000 -25.539000 -1.408000 9 K A 2 "LYS " " HZ3" 1 0 1 1 97.85 161 + 162 25 -8.161000 -20.239000 1.524000 10 T A 2 "THR " " N " 7 0 0 1 70.32 162 + 163 3 -7.697000 -19.434000 2.665000 10 T A 2 "THR " " CA " 6 0 0 1 70.62 163 + 164 2 -7.672000 -17.911000 2.379000 10 T A 2 "THR " " C " 6 0 0 1 75.34 164 + 165 15 -7.544000 -17.135000 3.325000 10 T A 2 "THR " " O " 8 0 0 1 78.94 165 + 166 3 -6.283000 -19.857000 3.157000 10 T A 2 "THR " " CB " 6 0 0 1 68.44 166 + 167 16 -5.232000 -19.432000 2.306000 10 T A 2 "THR " " OG1" 8 0 0 1 62.83 167 + 168 3 -6.144000 -21.360000 3.430000 10 T A 2 "THR " " CG2" 6 0 0 1 61.76 168 + 169 43 -7.448000 -20.709000 0.986000 10 T A 2 "THR " " H " 1 0 0 1 70.32 169 + 170 41 -8.393000 -19.601000 3.487000 10 T A 2 "THR " " HA " 1 0 0 1 70.62 170 + 171 41 -6.106000 -19.356000 4.110000 10 T A 2 "THR " " HB " 1 0 0 1 68.44 171 + 172 42 -5.236000 -19.975000 1.510000 10 T A 2 "THR " " HG1" 1 0 0 1 62.83 172 + 173 41 -5.166000 -21.588000 3.855000 10 T A 2 "THR " "HG21" 1 0 0 1 61.76 173 + 174 41 -6.898000 -21.701000 4.141000 10 T A 2 "THR " "HG22" 1 0 0 1 61.76 174 + 175 41 -6.250000 -21.948000 2.520000 10 T A 2 "THR " "HG23" 1 0 0 1 61.76 175 + 176 25 -7.801000 -17.516000 1.099000 11 V A 2 "VAL " " N " 7 0 0 1 80.09 176 + 177 3 -7.806000 -16.127000 0.632000 11 V A 2 "VAL " " CA " 6 0 0 1 80.74 177 + 178 2 -9.205000 -15.696000 0.126000 11 V A 2 "VAL " " C " 6 0 0 1 87.77 178 + 179 15 -9.426000 -14.498000 -0.058000 11 V A 2 "VAL " " O " 8 0 0 1 95.85 179 + 180 3 -6.734000 -15.944000 -0.490000 11 V A 2 "VAL " " CB " 6 0 0 1 72.67 180 + 181 3 -6.713000 -14.568000 -1.190000 11 V A 2 "VAL " " CG1" 6 0 0 1 91.4 181 + 182 3 -5.324000 -16.244000 0.056000 11 V A 2 "VAL " " CG2" 6 0 0 1 52.21 182 + 183 43 -7.882000 -18.220000 0.379000 11 V A 2 "VAL " " H " 1 0 0 1 80.09 183 + 184 41 -7.555000 -15.454000 1.454000 11 V A 2 "VAL " " HA " 1 0 0 1 80.74 184 + 185 41 -6.930000 -16.684000 -1.268000 11 V A 2 "VAL " " HB " 1 0 0 1 72.67 185 + 186 41 -5.847000 -14.472000 -1.845000 11 V A 2 "VAL " "HG11" 1 0 0 1 91.4 186 + 187 41 -7.587000 -14.417000 -1.822000 11 V A 2 "VAL " "HG12" 1 0 0 1 91.4 187 + 188 41 -6.669000 -13.755000 -0.465000 11 V A 2 "VAL " "HG13" 1 0 0 1 91.4 188 + 189 41 -4.557000 -16.086000 -0.703000 11 V A 2 "VAL " "HG21" 1 0 0 1 52.21 189 + 190 41 -5.084000 -15.602000 0.904000 11 V A 2 "VAL " "HG22" 1 0 0 1 52.21 190 + 191 41 -5.230000 -17.279000 0.386000 11 V A 2 "VAL " "HG23" 1 0 0 1 52.21 191 + 192 25 -10.138000 -16.656000 -0.045000 12 S A 2 "SER " " N " 7 0 0 1 87.46 192 + 193 3 -11.519000 -16.451000 -0.502000 12 S A 2 "SER " " CA " 6 0 0 1 87.96 193 + 194 2 -12.276000 -15.378000 0.321000 12 S A 2 "SER " " C " 6 0 0 1 95.36 194 + 195 15 -12.190000 -15.412000 1.551000 12 S A 2 "SER " " O " 8 0 0 1 92.47 195 + 196 3 -12.258000 -17.802000 -0.420000 12 S A 2 "SER " " CB " 6 0 0 1 87.19 196 + 197 16 -13.591000 -17.696000 -0.883000 12 S A 2 "SER " " OG " 8 0 0 1 80.58 197 + 198 43 -9.890000 -17.611000 0.169000 12 S A 2 "SER " " H " 1 0 0 1 87.46 198 + 199 41 -11.432000 -16.167000 -1.549000 12 S A 2 "SER " " HA " 1 0 0 1 87.96 199 + 200 41 -12.272000 -18.176000 0.604000 12 S A 2 "SER " " HB3" 1 0 0 1 87.19 200 + 201 41 -11.751000 -18.546000 -1.032000 12 S A 2 "SER " " HB2" 1 0 0 1 87.19 201 + 202 42 -14.002000 -18.564000 -0.837000 12 S A 2 "SER " " HG " 1 0 0 1 80.58 202 + 203 25 -12.989000 -14.446000 -0.360000 13 P A 2 "PRO " " N " 7 0 0 1 103.13 203 + 204 3 -13.732000 -13.369000 0.318000 13 P A 2 "PRO " " CA " 6 0 0 1 106.23 204 + 205 2 -14.969000 -13.850000 1.098000 13 P A 2 "PRO " " C " 6 0 0 1 110.3 205 + 206 15 -15.343000 -13.194000 2.071000 13 P A 2 "PRO " " O " 8 0 0 1 108.86 206 + 207 3 -14.119000 -12.422000 -0.828000 13 P A 2 "PRO " " CB " 6 0 0 1 103.2 207 + 208 3 -14.261000 -13.334000 -2.035000 13 P A 2 "PRO " " CG " 6 0 0 1 101.57 208 + 209 3 -13.161000 -14.366000 -1.814000 13 P A 2 "PRO " " CD " 6 0 0 1 101.83 209 + 210 41 -13.077000 -12.845000 1.017000 13 P A 2 "PRO " " HA " 1 0 0 1 106.23 210 + 211 41 -13.307000 -11.713000 -0.997000 13 P A 2 "PRO " " HB3" 1 0 0 1 103.2 211 + 212 41 -15.022000 -11.841000 -0.635000 13 P A 2 "PRO " " HB2" 1 0 0 1 103.2 212 + 213 41 -14.176000 -12.810000 -2.987000 13 P A 2 "PRO " " HG3" 1 0 0 1 101.57 213 + 214 41 -15.235000 -13.825000 -2.010000 13 P A 2 "PRO " " HG2" 1 0 0 1 101.57 214 + 215 41 -13.432000 -15.321000 -2.267000 13 P A 2 "PRO " " HD2" 1 0 0 1 101.83 215 + 216 41 -12.225000 -14.024000 -2.258000 13 P A 2 "PRO " " HD3" 1 0 0 1 101.83 216 + 217 25 -15.556000 -14.988000 0.680000 14 D A 2 "ASP " " N " 7 0 0 1 109.07 217 + 218 3 -16.619000 -15.690000 1.395000 14 D A 2 "ASP " " CA " 6 0 0 1 109.41 218 + 219 2 -16.043000 -16.207000 2.720000 14 D A 2 "ASP " " C " 6 0 0 1 109.3 219 + 220 15 -15.023000 -16.897000 2.727000 14 D A 2 "ASP " " O " 8 0 0 1 108.92 220 + 221 3 -17.230000 -16.817000 0.528000 14 D A 2 "ASP " " CB " 6 0 0 1 114.3 221 + 222 2 -18.487000 -17.514000 1.082000 14 D A 2 "ASP " " CG " 6 0 0 1 120.18 222 + 223 15 -18.678000 -17.548000 2.317000 14 D A 2 "ASP " " OD1" 8 0 0 1 123.34 223 + 224 18 -19.224000 -18.069000 0.239000 14 D A 2 "ASP " " OD2" 8 -1 0 1 122.7 224 + 225 43 -15.179000 -15.470000 -0.124000 14 D A 2 "ASP " " H " 1 0 0 1 109.07 225 + 226 41 -17.408000 -14.963000 1.605000 14 D A 2 "ASP " " HA " 1 0 0 1 109.41 226 + 227 41 -16.473000 -17.572000 0.337000 14 D A 2 "ASP " " HB3" 1 0 0 1 114.3 227 + 228 41 -17.498000 -16.382000 -0.436000 14 D A 2 "ASP " " HB2" 1 0 0 1 114.3 228 + 229 25 -16.714000 -15.823000 3.813000 15 R A 2 "ARG " " N " 7 0 1 1 110.58 229 + 230 3 -16.292000 -16.124000 5.171000 15 R A 2 "ARG " " CA " 6 0 1 1 111.59 230 + 231 2 -16.351000 -17.635000 5.470000 15 R A 2 "ARG " " C " 6 0 1 1 110.99 231 + 232 15 -15.411000 -18.123000 6.089000 15 R A 2 "ARG " " O " 8 0 1 1 110.47 232 + 233 3 -17.095000 -15.235000 6.144000 15 R A 2 "ARG " " CB " 6 0 1 1 116.14 233 + 234 3 -16.393000 -14.940000 7.484000 15 R A 2 "ARG " " CG " 6 0 1 1 120.88 234 + 235 3 -16.627000 -15.966000 8.599000 15 R A 2 "ARG " " CD " 6 0 1 1 129.5 235 + 236 25 -18.018000 -15.931000 9.068000 15 R A 2 "ARG " " NE " 7 0 1 1 139.34 236 + 237 2 -18.517000 -16.656000 10.081000 15 R A 2 "ARG " " CZ " 6 0 1 1 142.7 237 + 238 25 -17.735000 -17.464000 10.809000 15 R A 2 "ARG " " NH1" 7 0 1 1 147.01 238 + 239 31 -19.822000 -16.568000 10.366000 15 R A 2 "ARG " " NH2" 7 1 1 1 142.84 239 + 240 43 -17.553000 -15.271000 3.713000 15 R A 2 "ARG " " H " 1 0 1 1 110.58 240 + 241 41 -15.243000 -15.828000 5.246000 15 R A 2 "ARG " " HA " 1 0 1 1 111.59 241 + 242 41 -18.106000 -15.619000 6.292000 15 R A 2 "ARG " " HB3" 1 0 1 1 116.14 242 + 243 41 -17.224000 -14.264000 5.662000 15 R A 2 "ARG " " HB2" 1 0 1 1 116.14 243 + 244 41 -16.859000 -14.020000 7.842000 15 R A 2 "ARG " " HG3" 1 0 1 1 120.88 244 + 245 41 -15.338000 -14.687000 7.370000 15 R A 2 "ARG " " HG2" 1 0 1 1 120.88 245 + 246 41 -15.893000 -15.861000 9.399000 15 R A 2 "ARG " " HD3" 1 0 1 1 129.5 246 + 247 41 -16.510000 -16.972000 8.202000 15 R A 2 "ARG " " HD2" 1 0 1 1 129.5 247 + 248 43 -18.645000 -15.340000 8.542000 15 R A 2 "ARG " " HE " 1 0 1 1 139.34 248 + 249 43 -18.112000 -18.015000 11.567000 15 R A 2 "ARG " "HH12" 1 0 1 1 147.01 249 + 250 43 -16.751000 -17.556000 10.587000 15 R A 2 "ARG " "HH11" 1 0 1 1 147.01 250 + 251 44 -20.217000 -17.106000 11.123000 15 R A 2 "ARG " "HH22" 1 0 1 1 142.84 251 + 252 44 -20.424000 -15.964000 9.825000 15 R A 2 "ARG " "HH21" 1 0 1 1 142.84 252 + 253 25 -17.371000 -18.347000 4.943000 16 L A 2 "LEU " " N " 7 0 1 1 111.28 253 + 254 3 -17.542000 -19.806000 5.044000 16 L A 2 "LEU " " CA " 6 0 1 1 107.23 254 + 255 2 -16.407000 -20.606000 4.387000 16 L A 2 "LEU " " C " 6 0 1 1 104.09 255 + 256 15 -15.939000 -21.574000 4.986000 16 L A 2 "LEU " " O " 8 0 1 1 107.19 256 + 257 3 -18.877000 -20.254000 4.402000 16 L A 2 "LEU " " CB " 6 0 1 1 106.32 257 + 258 3 -20.162000 -19.679000 5.030000 16 L A 2 "LEU " " CG " 6 0 1 1 99.81 258 + 259 3 -21.401000 -20.148000 4.235000 16 L A 2 "LEU " " CD1" 6 0 1 1 96.96 259 + 260 3 -20.281000 -19.998000 6.534000 16 L A 2 "LEU " " CD2" 6 0 1 1 90.05 260 + 261 43 -18.048000 -17.873000 4.358000 16 L A 2 "LEU " " H " 1 0 1 1 111.28 261 + 262 41 -17.550000 -20.063000 6.104000 16 L A 2 "LEU " " HA " 1 0 1 1 107.23 262 + 263 41 -18.942000 -21.343000 4.441000 16 L A 2 "LEU " " HB3" 1 0 1 1 106.32 263 + 264 41 -18.861000 -20.001000 3.341000 16 L A 2 "LEU " " HB2" 1 0 1 1 106.32 264 + 265 41 -20.119000 -18.594000 4.928000 16 L A 2 "LEU " " HG " 1 0 1 1 99.81 265 + 266 41 -22.010000 -19.296000 3.934000 16 L A 2 "LEU " "HD11" 1 0 1 1 96.96 266 + 267 41 -21.127000 -20.680000 3.323000 16 L A 2 "LEU " "HD12" 1 0 1 1 96.96 267 + 268 41 -22.040000 -20.819000 4.810000 16 L A 2 "LEU " "HD13" 1 0 1 1 96.96 268 + 269 41 -21.301000 -20.243000 6.831000 16 L A 2 "LEU " "HD21" 1 0 1 1 90.05 269 + 270 41 -19.652000 -20.840000 6.824000 16 L A 2 "LEU " "HD22" 1 0 1 1 90.05 270 + 271 41 -19.974000 -19.141000 7.133000 16 L A 2 "LEU " "HD23" 1 0 1 1 90.05 271 + 272 25 -15.981000 -20.184000 3.181000 17 E A 2 "GLU " " N " 7 0 1 1 99.05 272 + 273 3 -14.846000 -20.754000 2.444000 17 E A 2 "GLU " " CA " 6 0 1 1 96.85 273 + 274 2 -13.542000 -20.678000 3.250000 17 E A 2 "GLU " " C " 6 0 1 1 93.04 274 + 275 15 -12.801000 -21.660000 3.295000 17 E A 2 "GLU " " O " 8 0 1 1 92.36 275 + 276 3 -14.675000 -20.009000 1.104000 17 E A 2 "GLU " " CB " 6 0 1 1 100.62 276 + 277 3 -15.784000 -20.253000 0.063000 17 E A 2 "GLU " " CG " 6 0 1 1 111.31 277 + 278 2 -15.602000 -21.569000 -0.686000 17 E A 2 "GLU " " CD " 6 0 1 1 117.58 278 + 279 15 -15.891000 -22.632000 -0.097000 17 E A 2 "GLU " " OE1" 8 0 1 1 123.45 279 + 280 18 -15.144000 -21.494000 -1.847000 17 E A 2 "GLU " " OE2" 8 -1 1 1 118.94 280 + 281 43 -16.431000 -19.386000 2.753000 17 E A 2 "GLU " " H " 1 0 1 1 99.05 281 + 282 41 -15.054000 -21.808000 2.257000 17 E A 2 "GLU " " HA " 1 0 1 1 96.85 282 + 283 41 -13.710000 -20.269000 0.662000 17 E A 2 "GLU " " HB3" 1 0 1 1 100.62 283 + 284 41 -14.616000 -18.941000 1.301000 17 E A 2 "GLU " " HB2" 1 0 1 1 100.62 284 + 285 41 -15.773000 -19.453000 -0.677000 17 E A 2 "GLU " " HG3" 1 0 1 1 111.31 285 + 286 41 -16.772000 -20.225000 0.523000 17 E A 2 "GLU " " HG2" 1 0 1 1 111.31 286 + 287 25 -13.338000 -19.525000 3.911000 18 L A 2 "LEU " " N " 7 0 1 1 92.21 287 + 288 3 -12.244000 -19.264000 4.837000 18 L A 2 "LEU " " CA " 6 0 1 1 87.65 288 + 289 2 -12.271000 -20.209000 6.055000 18 L A 2 "LEU " " C " 6 0 1 1 91.43 289 + 290 15 -11.223000 -20.783000 6.340000 18 L A 2 "LEU " " O " 8 0 1 1 99.77 290 + 291 3 -12.241000 -17.767000 5.237000 18 L A 2 "LEU " " CB " 6 0 1 1 79.24 291 + 292 3 -10.887000 -17.059000 5.006000 18 L A 2 "LEU " " CG " 6 0 1 1 83.7 292 + 293 3 -11.009000 -15.540000 5.246000 18 L A 2 "LEU " " CD1" 6 0 1 1 93.24 293 + 294 3 -9.746000 -17.683000 5.834000 18 L A 2 "LEU " " CD2" 6 0 1 1 88.99 294 + 295 43 -14.010000 -18.777000 3.805000 18 L A 2 "LEU " " H " 1 0 1 1 92.21 295 + 296 41 -11.329000 -19.478000 4.281000 18 L A 2 "LEU " " HA " 1 0 1 1 87.65 296 + 297 41 -12.554000 -17.638000 6.275000 18 L A 2 "LEU " " HB3" 1 0 1 1 79.24 297 + 298 41 -12.994000 -17.237000 4.651000 18 L A 2 "LEU " " HB2" 1 0 1 1 79.24 298 + 299 41 -10.631000 -17.187000 3.953000 18 L A 2 "LEU " " HG " 1 0 1 1 83.7 299 + 300 41 -10.691000 -14.986000 4.362000 18 L A 2 "LEU " "HD11" 1 0 1 1 93.24 300 + 301 41 -12.035000 -15.239000 5.460000 18 L A 2 "LEU " "HD12" 1 0 1 1 93.24 301 + 302 41 -10.400000 -15.196000 6.082000 18 L A 2 "LEU " "HD13" 1 0 1 1 93.24 302 + 303 41 -9.017000 -16.944000 6.167000 18 L A 2 "LEU " "HD21" 1 0 1 1 88.99 303 + 304 41 -10.120000 -18.190000 6.724000 18 L A 2 "LEU " "HD22" 1 0 1 1 88.99 304 + 305 41 -9.198000 -18.422000 5.252000 18 L A 2 "LEU " "HD23" 1 0 1 1 88.99 305 + 306 25 -13.448000 -20.412000 6.695000 19 E A 2 "GLU " " N " 7 0 1 1 96.95 306 + 307 3 -13.648000 -21.342000 7.826000 19 E A 2 "GLU " " CA " 6 0 1 1 102.69 307 + 308 2 -13.196000 -22.775000 7.499000 19 E A 2 "GLU " " C " 6 0 1 1 97.54 308 + 309 15 -12.355000 -23.324000 8.211000 19 E A 2 "GLU " " O " 8 0 1 1 95.44 309 + 310 3 -15.130000 -21.433000 8.293000 19 E A 2 "GLU " " CB " 6 0 1 1 116.82 310 + 311 3 -15.861000 -20.156000 8.728000 19 E A 2 "GLU " " CG " 6 0 1 1 131.07 311 + 312 2 -15.214000 -19.426000 9.897000 19 E A 2 "GLU " " CD " 6 0 1 1 137.82 312 + 313 15 -15.452000 -19.871000 11.040000 19 E A 2 "GLU " " OE1" 8 0 1 1 142.51 313 + 314 18 -14.547000 -18.402000 9.637000 19 E A 2 "GLU " " OE2" 8 -1 1 1 136.62 314 + 315 43 -14.265000 -19.897000 6.395000 19 E A 2 "GLU " " H " 1 0 1 1 96.95 315 + 316 41 -13.041000 -20.977000 8.657000 19 E A 2 "GLU " " HA " 1 0 1 1 102.69 316 + 317 41 -15.185000 -22.137000 9.125000 19 E A 2 "GLU " " HB3" 1 0 1 1 116.82 317 + 318 41 -15.739000 -21.889000 7.513000 19 E A 2 "GLU " " HB2" 1 0 1 1 116.82 318 + 319 41 -16.878000 -20.417000 9.021000 19 E A 2 "GLU " " HG3" 1 0 1 1 131.07 319 + 320 41 -15.976000 -19.478000 7.897000 19 E A 2 "GLU " " HG2" 1 0 1 1 131.07 320 + 321 25 -13.788000 -23.336000 6.428000 20 A A 2 "ALA " " N " 7 0 1 1 91.82 321 + 322 3 -13.598000 -24.709000 5.965000 20 A A 2 "ALA " " CA " 6 0 1 1 90.32 322 + 323 2 -12.142000 -25.020000 5.610000 20 A A 2 "ALA " " C " 6 0 1 1 95.09 323 + 324 15 -11.620000 -26.041000 6.057000 20 A A 2 "ALA " " O " 8 0 1 1 104.53 324 + 325 3 -14.516000 -24.966000 4.760000 20 A A 2 "ALA " " CB " 6 0 1 1 81.86 325 + 326 43 -14.456000 -22.787000 5.904000 20 A A 2 "ALA " " H " 1 0 1 1 91.82 326 + 327 41 -13.898000 -25.376000 6.776000 20 A A 2 "ALA " " HA " 1 0 1 1 90.32 327 + 328 41 -14.404000 -25.985000 4.387000 20 A A 2 "ALA " " HB1" 1 0 1 1 81.86 328 + 329 41 -15.563000 -24.833000 5.033000 20 A A 2 "ALA " " HB2" 1 0 1 1 81.86 329 + 330 41 -14.302000 -24.283000 3.937000 20 A A 2 "ALA " " HB3" 1 0 1 1 81.86 330 + 331 25 -11.514000 -24.104000 4.854000 21 A A 2 "ALA " " N " 7 0 1 1 94.46 331 + 332 3 -10.114000 -24.185000 4.468000 21 A A 2 "ALA " " CA " 6 0 1 1 92.27 332 + 333 2 -9.149000 -24.148000 5.656000 21 A A 2 "ALA " " C " 6 0 1 1 90.41 333 + 334 15 -8.172000 -24.894000 5.647000 21 A A 2 "ALA " " O " 8 0 1 1 88.18 334 + 335 3 -9.791000 -23.058000 3.479000 21 A A 2 "ALA " " CB " 6 0 1 1 89.32 335 + 336 43 -12.018000 -23.285000 4.539000 21 A A 2 "ALA " " H " 1 0 1 1 94.46 336 + 337 41 -9.998000 -25.149000 3.977000 21 A A 2 "ALA " " HA " 1 0 1 1 92.27 337 + 338 41 -8.753000 -23.099000 3.151000 21 A A 2 "ALA " " HB1" 1 0 1 1 89.32 338 + 339 41 -10.421000 -23.141000 2.597000 21 A A 2 "ALA " " HB2" 1 0 1 1 89.32 339 + 340 41 -9.961000 -22.073000 3.917000 21 A A 2 "ALA " " HB3" 1 0 1 1 89.32 340 + 341 25 -9.457000 -23.314000 6.663000 22 Q A 2 "GLN " " N " 7 0 1 1 89.88 341 + 342 3 -8.626000 -23.157000 7.850000 22 Q A 2 "GLN " " CA " 6 0 1 1 95.13 342 + 343 2 -8.691000 -24.395000 8.758000 22 Q A 2 "GLN " " C " 6 0 1 1 92.78 343 + 344 15 -7.630000 -24.887000 9.129000 22 Q A 2 "GLN " " O " 8 0 1 1 93.82 344 + 345 3 -9.004000 -21.859000 8.602000 22 Q A 2 "GLN " " CB " 6 0 1 1 104.48 345 + 346 3 -7.806000 -21.175000 9.284000 22 Q A 2 "GLN " " CG " 6 0 1 1 120.42 346 + 347 2 -6.821000 -20.608000 8.254000 22 Q A 2 "GLN " " CD " 6 0 1 1 130.38 347 + 348 15 -7.134000 -19.649000 7.551000 22 Q A 2 "GLN " " OE1" 8 0 1 1 131.72 348 + 349 25 -5.634000 -21.208000 8.151000 22 Q A 2 "GLN " " NE2" 7 0 1 1 129.46 349 + 350 43 -10.280000 -22.729000 6.606000 22 Q A 2 "GLN " " H " 1 0 1 1 89.88 350 + 351 41 -7.598000 -23.081000 7.492000 22 Q A 2 "GLN " " HA " 1 0 1 1 95.13 351 + 352 41 -9.790000 -22.052000 9.334000 22 Q A 2 "GLN " " HB3" 1 0 1 1 104.48 352 + 353 41 -9.429000 -21.135000 7.913000 22 Q A 2 "GLN " " HB2" 1 0 1 1 104.48 353 + 354 41 -7.303000 -21.868000 9.960000 22 Q A 2 "GLN " " HG3" 1 0 1 1 120.42 354 + 355 41 -8.162000 -20.348000 9.899000 22 Q A 2 "GLN " " HG2" 1 0 1 1 120.42 355 + 356 43 -4.953000 -20.876000 7.483000 22 Q A 2 "GLN " "HE22" 1 0 1 1 129.46 356 + 357 43 -5.404000 -21.997000 8.738000 22 Q A 2 "GLN " "HE21" 1 0 1 1 129.46 357 + 358 25 -9.902000 -24.911000 9.047000 23 K A 2 "LYS " " N " 7 0 1 1 87.73 358 + 359 3 -10.102000 -26.129000 9.843000 23 K A 2 "LYS " " CA " 6 0 1 1 85.92 359 + 360 2 -9.558000 -27.415000 9.201000 23 K A 2 "LYS " " C " 6 0 1 1 85.02 360 + 361 15 -9.069000 -28.268000 9.941000 23 K A 2 "LYS " " O " 8 0 1 1 84.68 361 + 362 3 -11.580000 -26.290000 10.261000 23 K A 2 "LYS " " CB " 6 0 1 1 87.24 362 + 363 3 -11.881000 -25.650000 11.626000 23 K A 2 "LYS " " CG " 6 0 1 1 100.39 363 + 364 3 -13.298000 -25.954000 12.131000 23 K A 2 "LYS " " CD " 6 0 1 1 112.69 364 + 365 3 -13.516000 -25.472000 13.571000 23 K A 2 "LYS " " CE " 6 0 1 1 118.39 365 + 366 32 -14.893000 -25.736000 14.021000 23 K A 2 "LYS " " NZ " 7 1 1 1 121.04 366 + 367 43 -10.736000 -24.455000 8.698000 23 K A 2 "LYS " " H " 1 0 1 1 87.73 367 + 368 41 -9.517000 -25.984000 10.753000 23 K A 2 "LYS " " HA " 1 0 1 1 85.92 368 + 369 41 -11.812000 -27.351000 10.365000 23 K A 2 "LYS " " HB3" 1 0 1 1 87.24 369 + 370 41 -12.251000 -25.919000 9.484000 23 K A 2 "LYS " " HB2" 1 0 1 1 87.24 370 + 371 41 -11.736000 -24.570000 11.560000 23 K A 2 "LYS " " HG3" 1 0 1 1 100.39 371 + 372 41 -11.159000 -26.011000 12.360000 23 K A 2 "LYS " " HG2" 1 0 1 1 100.39 372 + 373 41 -13.488000 -27.027000 12.071000 23 K A 2 "LYS " " HD3" 1 0 1 1 112.69 373 + 374 41 -14.022000 -25.476000 11.470000 23 K A 2 "LYS " " HD2" 1 0 1 1 112.69 374 + 375 41 -13.322000 -24.401000 13.647000 23 K A 2 "LYS " " HE3" 1 0 1 1 118.39 375 + 376 41 -12.824000 -25.974000 14.248000 23 K A 2 "LYS " " HE2" 1 0 1 1 118.39 376 + 377 44 -15.543000 -25.244000 13.423000 23 K A 2 "LYS " " HZ1" 1 0 1 1 121.04 377 + 378 44 -15.079000 -26.728000 13.976000 23 K A 2 "LYS " " HZ2" 1 0 1 1 121.04 378 + 379 44 -15.004000 -25.415000 14.973000 23 K A 2 "LYS " " HZ3" 1 0 1 1 121.04 379 + 380 25 -9.620000 -27.525000 7.861000 24 F A 2 "PHE " " N " 7 0 1 1 77.08 380 + 381 3 -9.029000 -28.635000 7.108000 24 F A 2 "PHE " " CA " 6 0 1 1 69.1 381 + 382 2 -7.502000 -28.704000 7.271000 24 F A 2 "PHE " " C " 6 0 1 1 69.17 382 + 383 15 -6.985000 -29.763000 7.622000 24 F A 2 "PHE " " O " 8 0 1 1 69.09 383 + 384 3 -9.455000 -28.577000 5.622000 24 F A 2 "PHE " " CB " 6 0 1 1 71.04 384 + 385 2 -8.814000 -29.625000 4.718000 24 F A 2 "PHE " " CG " 6 0 1 1 69.73 385 + 386 2 -7.532000 -29.410000 4.163000 24 F A 2 "PHE " " CD1" 6 0 1 1 68.12 386 + 387 2 -9.404000 -30.899000 4.580000 24 F A 2 "PHE " " CD2" 6 0 1 1 69.6 387 + 388 2 -6.906000 -30.407000 3.431000 24 F A 2 "PHE " " CE1" 6 0 1 1 66.06 388 + 389 2 -8.760000 -31.888000 3.847000 24 F A 2 "PHE " " CE2" 6 0 1 1 65.86 389 + 390 2 -7.522000 -31.640000 3.267000 24 F A 2 "PHE " " CZ " 6 0 1 1 62.67 390 + 391 43 -10.053000 -26.791000 7.316000 24 F A 2 "PHE " " H " 1 0 1 1 77.08 391 + 392 41 -9.435000 -29.560000 7.523000 24 F A 2 "PHE " " HA " 1 0 1 1 69.1 392 + 393 41 -9.231000 -27.590000 5.216000 24 F A 2 "PHE " " HB3" 1 0 1 1 71.04 393 + 394 41 -10.538000 -28.688000 5.555000 24 F A 2 "PHE " " HB2" 1 0 1 1 71.04 394 + 395 41 -7.015000 -28.479000 4.325000 24 F A 2 "PHE " " HD1" 1 0 1 1 68.12 395 + 396 41 -10.357000 -31.110000 5.043000 24 F A 2 "PHE " " HD2" 1 0 1 1 69.6 396 + 397 41 -5.930000 -30.228000 3.002000 24 F A 2 "PHE " " HE1" 1 0 1 1 66.06 397 + 398 41 -9.221000 -32.858000 3.732000 24 F A 2 "PHE " " HE2" 1 0 1 1 65.86 398 + 399 41 -7.027000 -32.416000 2.701000 24 F A 2 "PHE " " HZ " 1 0 1 1 62.67 399 + 400 25 -6.823000 -27.570000 7.019000 25 L A 2 "LEU " " N " 7 0 1 1 75.12 400 + 401 3 -5.367000 -27.435000 7.120000 25 L A 2 "LEU " " CA " 6 0 1 1 77.29 401 + 402 2 -4.854000 -27.517000 8.568000 25 L A 2 "LEU " " C " 6 0 1 1 75.73 402 + 403 15 -3.718000 -27.942000 8.774000 25 L A 2 "LEU " " O " 8 0 1 1 68.77 403 + 404 3 -4.917000 -26.102000 6.480000 25 L A 2 "LEU " " CB " 6 0 1 1 70.43 404 + 405 3 -5.168000 -25.947000 4.962000 25 L A 2 "LEU " " CG " 6 0 1 1 79.62 405 + 406 3 -4.919000 -24.498000 4.503000 25 L A 2 "LEU " " CD1" 6 0 1 1 75.36 406 + 407 3 -4.406000 -26.953000 4.083000 25 L A 2 "LEU " " CD2" 6 0 1 1 84.73 407 + 408 43 -7.327000 -26.739000 6.738000 25 L A 2 "LEU " " H " 1 0 1 1 75.12 408 + 409 41 -4.914000 -28.268000 6.585000 25 L A 2 "LEU " " HA " 1 0 1 1 77.29 409 + 410 41 -3.853000 -25.950000 6.662000 25 L A 2 "LEU " " HB3" 1 0 1 1 70.43 410 + 411 41 -5.423000 -25.290000 7.007000 25 L A 2 "LEU " " HB2" 1 0 1 1 70.43 411 + 412 41 -6.222000 -26.156000 4.804000 25 L A 2 "LEU " " HG " 1 0 1 1 79.62 412 + 413 41 -5.719000 -24.152000 3.850000 25 L A 2 "LEU " "HD11" 1 0 1 1 75.36 413 + 414 41 -4.884000 -23.803000 5.341000 25 L A 2 "LEU " "HD12" 1 0 1 1 75.36 414 + 415 41 -3.983000 -24.389000 3.957000 25 L A 2 "LEU " "HD13" 1 0 1 1 75.36 415 + 416 41 -4.869000 -27.030000 3.099000 25 L A 2 "LEU " "HD21" 1 0 1 1 84.73 416 + 417 41 -3.369000 -26.651000 3.933000 25 L A 2 "LEU " "HD22" 1 0 1 1 84.73 417 + 418 41 -4.408000 -27.955000 4.504000 25 L A 2 "LEU " "HD23" 1 0 1 1 84.73 418 + 419 25 -5.699000 -27.126000 9.536000 26 E A 2 "GLU " " N " 7 0 1 1 77.08 419 + 420 3 -5.414000 -27.171000 10.966000 26 E A 2 "GLU " " CA " 6 0 1 1 77.45 420 + 421 2 -5.501000 -28.600000 11.530000 26 E A 2 "GLU " " C " 6 0 1 1 74.72 421 + 422 15 -4.623000 -28.976000 12.304000 26 E A 2 "GLU " " O " 8 0 1 1 78.78 422 + 423 3 -6.333000 -26.157000 11.673000 26 E A 2 "GLU " " CB " 6 0 1 1 93.54 423 + 424 3 -6.127000 -25.995000 13.188000 26 E A 2 "GLU " " CG " 6 0 1 1 111.57 424 + 425 2 -7.014000 -24.881000 13.747000 26 E A 2 "GLU " " CD " 6 0 1 1 123.52 425 + 426 15 -6.883000 -23.739000 13.254000 26 E A 2 "GLU " " OE1" 8 0 1 1 122.62 426 + 427 18 -7.815000 -25.192000 14.655000 26 E A 2 "GLU " " OE2" 8 -1 1 1 125.78 427 + 428 43 -6.605000 -26.756000 9.279000 26 E A 2 "GLU " " H " 1 0 1 1 77.08 428 + 429 41 -4.387000 -26.829000 11.110000 26 E A 2 "GLU " " HA " 1 0 1 1 77.45 429 + 430 41 -7.373000 -26.423000 11.484000 26 E A 2 "GLU " " HB3" 1 0 1 1 93.54 430 + 431 41 -6.176000 -25.186000 11.203000 26 E A 2 "GLU " " HB2" 1 0 1 1 93.54 431 + 432 41 -5.087000 -25.749000 13.402000 26 E A 2 "GLU " " HG3" 1 0 1 1 111.57 432 + 433 41 -6.345000 -26.929000 13.708000 26 E A 2 "GLU " " HG2" 1 0 1 1 111.57 433 + 434 25 -6.494000 -29.392000 11.079000 27 R A 2 "ARG " " N " 7 0 1 1 73.16 434 + 435 3 -6.576000 -30.833000 11.345000 27 R A 2 "ARG " " CA " 6 0 1 1 68.68 435 + 436 2 -5.431000 -31.605000 10.674000 27 R A 2 "ARG " " C " 6 0 1 1 62.81 436 + 437 15 -4.852000 -32.460000 11.336000 27 R A 2 "ARG " " O " 8 0 1 1 58.74 437 + 438 3 -7.949000 -31.398000 10.915000 27 R A 2 "ARG " " CB " 6 0 1 1 65.94 438 + 439 3 -9.006000 -31.334000 12.032000 27 R A 2 "ARG " " CG " 6 0 1 1 81.45 439 + 440 3 -10.451000 -31.598000 11.564000 27 R A 2 "ARG " " CD " 6 0 1 1 95.99 440 + 441 25 -10.600000 -32.816000 10.748000 27 R A 2 "ARG " " NE " 7 0 1 1 114.29 441 + 442 2 -10.338000 -34.084000 11.110000 27 R A 2 "ARG " " CZ " 6 0 1 1 124.84 442 + 443 25 -9.966000 -34.396000 12.358000 27 R A 2 "ARG " " NH1" 7 0 1 1 125.12 443 + 444 31 -10.439000 -35.057000 10.196000 27 R A 2 "ARG " " NH2" 7 1 1 1 130.96 444 + 445 43 -7.191000 -29.012000 10.452000 27 R A 2 "ARG " " H " 1 0 1 1 73.16 445 + 446 41 -6.471000 -30.968000 12.424000 27 R A 2 "ARG " " HA " 1 0 1 1 68.68 446 + 447 41 -7.847000 -32.450000 10.640000 27 R A 2 "ARG " " HB3" 1 0 1 1 65.94 447 + 448 41 -8.299000 -30.892000 10.014000 27 R A 2 "ARG " " HB2" 1 0 1 1 65.94 448 + 449 41 -8.998000 -30.296000 12.369000 27 R A 2 "ARG " " HG3" 1 0 1 1 81.45 449 + 450 41 -8.738000 -31.925000 12.908000 27 R A 2 "ARG " " HG2" 1 0 1 1 81.45 450 + 451 41 -10.886000 -30.718000 11.089000 27 R A 2 "ARG " " HD3" 1 0 1 1 95.99 451 + 452 41 -11.061000 -31.796000 12.446000 27 R A 2 "ARG " " HD2" 1 0 1 1 95.99 452 + 453 43 -10.875000 -32.653000 9.790000 27 R A 2 "ARG " " HE " 1 0 1 1 114.29 453 + 454 43 -9.602000 -35.319000 12.570000 27 R A 2 "ARG " "HH12" 1 0 1 1 125.12 454 + 455 43 -9.897000 -33.676000 13.060000 27 R A 2 "ARG " "HH11" 1 0 1 1 125.12 455 + 456 44 -10.137000 -35.992000 10.435000 27 R A 2 "ARG " "HH22" 1 0 1 1 130.96 456 + 457 44 -10.710000 -34.852000 9.246000 27 R A 2 "ARG " "HH21" 1 0 1 1 130.96 457 + 458 25 -5.095000 -31.275000 9.414000 28 A A 2 "ALA " " N " 7 0 1 1 62.95 458 + 459 3 -4.017000 -31.907000 8.645000 28 A A 2 "ALA " " CA " 6 0 1 1 65.47 459 + 460 2 -2.625000 -31.792000 9.296000 28 A A 2 "ALA " " C " 6 0 1 1 74.8 460 + 461 15 -1.862000 -32.753000 9.240000 28 A A 2 "ALA " " O " 8 0 1 1 83.69 461 + 462 3 -4.000000 -31.331000 7.222000 28 A A 2 "ALA " " CB " 6 0 1 1 53.85 462 + 463 43 -5.625000 -30.562000 8.930000 28 A A 2 "ALA " " H " 1 0 1 1 62.95 463 + 464 41 -4.257000 -32.970000 8.571000 28 A A 2 "ALA " " HA " 1 0 1 1 65.47 464 + 465 41 -3.265000 -31.845000 6.601000 28 A A 2 "ALA " " HB1" 1 0 1 1 53.85 465 + 466 41 -4.969000 -31.448000 6.735000 28 A A 2 "ALA " " HB2" 1 0 1 1 53.85 466 + 467 41 -3.750000 -30.271000 7.220000 28 A A 2 "ALA " " HB3" 1 0 1 1 53.85 467 + 468 25 -2.344000 -30.648000 9.943000 29 A A 2 "ALA " " N " 7 0 0 1 75.08 468 + 469 3 -1.114000 -30.389000 10.697000 29 A A 2 "ALA " " CA " 6 0 0 1 68.99 469 + 470 2 -1.042000 -31.087000 12.070000 29 A A 2 "ALA " " C " 6 0 0 1 72.19 470 + 471 15 0.027000 -31.078000 12.679000 29 A A 2 "ALA " " O " 8 0 0 1 71.99 471 + 472 3 -0.979000 -28.870000 10.885000 29 A A 2 "ALA " " CB " 6 0 0 1 71.57 472 + 473 43 -3.025000 -29.901000 9.938000 29 A A 2 "ALA " " H " 1 0 0 1 75.08 473 + 474 41 -0.267000 -30.742000 10.108000 29 A A 2 "ALA " " HA " 1 0 0 1 68.99 474 + 475 41 -0.037000 -28.609000 11.370000 29 A A 2 "ALA " " HB1" 1 0 0 1 71.57 475 + 476 41 -1.005000 -28.350000 9.930000 29 A A 2 "ALA " " HB2" 1 0 0 1 71.57 476 + 477 41 -1.790000 -28.470000 11.495000 29 A A 2 "ALA " " HB3" 1 0 0 1 71.57 477 + 478 25 -2.167000 -31.639000 12.548000 30 V A 2 "VAL " " N " 7 0 0 1 70.08 478 + 479 3 -2.327000 -32.225000 13.883000 30 V A 2 "VAL " " CA " 6 0 0 1 71.69 479 + 480 2 -2.702000 -33.730000 13.799000 30 V A 2 "VAL " " C " 6 0 0 1 74.84 480 + 481 15 -2.873000 -34.374000 14.832000 30 V A 2 "VAL " " O " 8 0 0 1 87.65 481 + 482 3 -3.397000 -31.399000 14.677000 30 V A 2 "VAL " " CB " 6 0 0 1 70.09 482 + 483 3 -3.823000 -31.955000 16.053000 30 V A 2 "VAL " " CG1" 6 0 0 1 82.85 483 + 484 3 -2.927000 -29.944000 14.881000 30 V A 2 "VAL " " CG2" 6 0 0 1 88.34 484 + 485 43 -3.008000 -31.600000 11.988000 30 V A 2 "VAL " " H " 1 0 0 1 70.08 485 + 486 41 -1.386000 -32.180000 14.433000 30 V A 2 "VAL " " HA " 1 0 0 1 71.69 486 + 487 41 -4.298000 -31.352000 14.064000 30 V A 2 "VAL " " HB " 1 0 0 1 70.09 487 + 488 41 -4.400000 -31.219000 16.614000 30 V A 2 "VAL " "HG11" 1 0 0 1 82.85 488 + 489 41 -4.468000 -32.828000 15.958000 30 V A 2 "VAL " "HG12" 1 0 0 1 82.85 489 + 490 41 -2.960000 -32.227000 16.660000 30 V A 2 "VAL " "HG13" 1 0 0 1 82.85 490 + 491 41 -3.702000 -29.341000 15.354000 30 V A 2 "VAL " "HG21" 1 0 0 1 88.34 491 + 492 41 -2.042000 -29.904000 15.516000 30 V A 2 "VAL " "HG22" 1 0 0 1 88.34 492 + 493 41 -2.675000 -29.451000 13.944000 30 V A 2 "VAL " "HG23" 1 0 0 1 88.34 493 + 494 25 -2.793000 -34.286000 12.577000 31 E A 2 "GLU " " N " 7 0 0 1 74.94 494 + 495 3 -3.342000 -35.622000 12.326000 31 E A 2 "GLU " " CA " 6 0 0 1 65.48 495 + 496 2 -2.639000 -36.352000 11.165000 31 E A 2 "GLU " " C " 6 0 0 1 65.55 496 + 497 15 -2.809000 -37.564000 11.034000 31 E A 2 "GLU " " O " 8 0 0 1 75.25 497 + 498 3 -4.856000 -35.443000 12.087000 31 E A 2 "GLU " " CB " 6 0 0 1 64.57 498 + 499 3 -5.714000 -36.714000 12.118000 31 E A 2 "GLU " " CG " 6 0 0 1 76.74 499 + 500 2 -7.189000 -36.337000 11.993000 31 E A 2 "GLU " " CD " 6 0 0 1 90.46 500 + 501 15 -7.612000 -36.046000 10.853000 31 E A 2 "GLU " " OE1" 8 0 0 1 89.36 501 + 502 18 -7.869000 -36.311000 13.043000 31 E A 2 "GLU " " OE2" 8 -1 0 1 99.7 502 + 503 43 -2.641000 -33.706000 11.765000 31 E A 2 "GLU " " H " 1 0 0 1 74.94 503 + 504 41 -3.198000 -36.247000 13.209000 31 E A 2 "GLU " " HA " 1 0 0 1 65.48 504 + 505 41 -4.998000 -34.971000 11.114000 31 E A 2 "GLU " " HB3" 1 0 0 1 64.57 505 + 506 41 -5.257000 -34.742000 12.822000 31 E A 2 "GLU " " HB2" 1 0 0 1 64.57 506 + 507 41 -5.554000 -37.259000 13.049000 31 E A 2 "GLU " " HG3" 1 0 0 1 76.74 507 + 508 41 -5.451000 -37.387000 11.302000 31 E A 2 "GLU " " HG2" 1 0 0 1 76.74 508 + 509 25 -1.859000 -35.624000 10.349000 32 N A 2 "ASN " " N " 7 0 0 1 62.6 509 + 510 3 -1.166000 -36.160000 9.179000 32 N A 2 "ASN " " CA " 6 0 0 1 58.48 510 + 511 2 0.070000 -35.297000 8.856000 32 N A 2 "ASN " " C " 6 0 0 1 58.36 511 + 512 15 0.381000 -35.113000 7.682000 32 N A 2 "ASN " " O " 8 0 0 1 53.48 512 + 513 3 -2.159000 -36.256000 7.983000 32 N A 2 "ASN " " CB " 6 0 0 1 49.32 513 + 514 2 -1.813000 -37.313000 6.927000 32 N A 2 "ASN " " CG " 6 0 0 1 65.14 514 + 515 15 -1.070000 -38.259000 7.180000 32 N A 2 "ASN " " OD1" 8 0 0 1 70.58 515 + 516 25 -2.365000 -37.155000 5.722000 32 N A 2 "ASN " " ND2" 7 0 0 1 58.82 516 + 517 43 -1.766000 -34.629000 10.492000 32 N A 2 "ASN " " H " 1 0 0 1 62.6 517 + 518 41 -0.736000 -37.137000 9.405000 32 N A 2 "ASN " " HA " 1 0 0 1 58.48 518 + 519 41 -2.310000 -35.278000 7.523000 32 N A 2 "ASN " " HB3" 1 0 0 1 49.32 519 + 520 41 -3.139000 -36.558000 8.354000 32 N A 2 "ASN " " HB2" 1 0 0 1 49.32 520 + 521 43 -2.178000 -37.822000 4.988000 32 N A 2 "ASN " "HD22" 1 0 0 1 58.82 521 + 522 43 -2.972000 -36.371000 5.533000 32 N A 2 "ASN " "HD21" 1 0 0 1 58.82 522 + 523 25 0.735000 -34.758000 9.897000 33 L A 2 "LEU " " N " 7 0 1 1 53.56 523 + 524 3 1.786000 -33.739000 9.792000 33 L A 2 "LEU " " CA " 6 0 1 1 52.62 524 + 525 2 2.983000 -34.054000 8.866000 33 L A 2 "LEU " " C " 6 0 1 1 45.19 525 + 526 15 3.337000 -33.158000 8.101000 33 L A 2 "LEU " " O " 8 0 1 1 50.18 526 + 527 3 2.236000 -33.300000 11.207000 33 L A 2 "LEU " " CB " 6 0 1 1 54.32 527 + 528 3 3.286000 -32.161000 11.295000 33 L A 2 "LEU " " CG " 6 0 1 1 58.1 528 + 529 3 2.825000 -30.828000 10.667000 33 L A 2 "LEU " " CD1" 6 0 1 1 39.38 529 + 530 3 3.748000 -31.951000 12.743000 33 L A 2 "LEU " " CD2" 6 0 1 1 57.96 530 + 531 43 0.430000 -34.979000 10.834000 33 L A 2 "LEU " " H " 1 0 1 1 53.56 531 + 532 41 1.270000 -32.888000 9.348000 33 L A 2 "LEU " " HA " 1 0 1 1 52.62 532 + 533 41 2.631000 -34.167000 11.735000 33 L A 2 "LEU " " HB3" 1 0 1 1 54.32 533 + 534 41 1.355000 -33.009000 11.775000 33 L A 2 "LEU " " HB2" 1 0 1 1 54.32 534 + 535 41 4.167000 -32.495000 10.748000 33 L A 2 "LEU " " HG " 1 0 1 1 58.1 535 + 536 41 3.680000 -30.213000 10.390000 33 L A 2 "LEU " "HD11" 1 0 1 1 39.38 536 + 537 41 2.231000 -30.966000 9.767000 33 L A 2 "LEU " "HD12" 1 0 1 1 39.38 537 + 538 41 2.227000 -30.238000 11.362000 33 L A 2 "LEU " "HD13" 1 0 1 1 39.38 538 + 539 41 4.790000 -31.632000 12.775000 33 L A 2 "LEU " "HD21" 1 0 1 1 57.96 539 + 540 41 3.149000 -31.189000 13.237000 33 L A 2 "LEU " "HD22" 1 0 1 1 57.96 540 + 541 41 3.667000 -32.860000 13.339000 33 L A 2 "LEU " "HD23" 1 0 1 1 57.96 541 + 542 25 3.568000 -35.279000 8.889000 34 P A 2 "PRO " " N " 7 0 1 1 35.37 542 + 543 3 4.686000 -35.622000 7.987000 34 P A 2 "PRO " " CA " 6 0 1 1 41.41 543 + 544 2 4.301000 -35.575000 6.500000 34 P A 2 "PRO " " C " 6 0 1 1 49.17 544 + 545 15 5.009000 -34.941000 5.720000 34 P A 2 "PRO " " O " 8 0 1 1 52.07 545 + 546 3 5.128000 -37.029000 8.432000 34 P A 2 "PRO " " CB " 6 0 1 1 32.04 546 + 547 3 4.598000 -37.169000 9.848000 34 P A 2 "PRO " " CG " 6 0 1 1 39.93 547 + 548 3 3.292000 -36.390000 9.800000 34 P A 2 "PRO " " CD " 6 0 1 1 41.48 548 + 549 41 5.497000 -34.915000 8.177000 34 P A 2 "PRO " " HA " 1 0 1 1 41.41 549 + 550 41 6.209000 -37.163000 8.381000 34 P A 2 "PRO " " HB3" 1 0 1 1 32.04 550 + 551 41 4.677000 -37.801000 7.806000 34 P A 2 "PRO " " HB2" 1 0 1 1 32.04 551 + 552 41 5.284000 -36.682000 10.543000 34 P A 2 "PRO " " HG3" 1 0 1 1 39.93 552 + 553 41 4.475000 -38.205000 10.165000 34 P A 2 "PRO " " HG2" 1 0 1 1 39.93 553 + 554 41 2.500000 -37.005000 9.372000 34 P A 2 "PRO " " HD2" 1 0 1 1 41.48 554 + 555 41 2.988000 -36.092000 10.801000 34 P A 2 "PRO " " HD3" 1 0 1 1 41.48 555 + 556 25 3.153000 -36.188000 6.166000 35 T A 2 "THR " " N " 7 0 1 1 54 556 + 557 3 2.551000 -36.182000 4.835000 35 T A 2 "THR " " CA " 6 0 1 1 51.47 557 + 558 2 2.139000 -34.770000 4.386000 35 T A 2 "THR " " C " 6 0 1 1 53.73 558 + 559 15 2.447000 -34.390000 3.260000 35 T A 2 "THR " " O " 8 0 1 1 46.37 559 + 560 3 1.285000 -37.076000 4.788000 35 T A 2 "THR " " CB " 6 0 1 1 52.57 560 + 561 16 1.602000 -38.370000 5.261000 35 T A 2 "THR " " OG1" 8 0 1 1 60.64 561 + 562 3 0.626000 -37.214000 3.404000 35 T A 2 "THR " " CG2" 6 0 1 1 54.35 562 + 563 43 2.632000 -36.688000 6.872000 35 T A 2 "THR " " H " 1 0 1 1 54 563 + 564 41 3.287000 -36.569000 4.128000 35 T A 2 "THR " " HA " 1 0 1 1 51.47 564 + 565 41 0.544000 -36.673000 5.475000 35 T A 2 "THR " " HB " 1 0 1 1 52.57 565 + 566 42 0.807000 -38.907000 5.236000 35 T A 2 "THR " " HG1" 1 0 1 1 60.64 566 + 567 41 -0.191000 -37.936000 3.427000 35 T A 2 "THR " "HG21" 1 0 1 1 54.35 567 + 568 41 0.202000 -36.270000 3.062000 35 T A 2 "THR " "HG22" 1 0 1 1 54.35 568 + 569 41 1.343000 -37.548000 2.654000 35 T A 2 "THR " "HG23" 1 0 1 1 54.35 569 + 570 25 1.494000 -34.013000 5.291000 36 F A 2 "PHE " " N " 7 0 1 1 48.05 570 + 571 3 1.027000 -32.648000 5.067000 36 F A 2 "PHE " " CA " 6 0 1 1 48.37 571 + 572 2 2.165000 -31.680000 4.712000 36 F A 2 "PHE " " C " 6 0 1 1 55.4 572 + 573 15 2.044000 -30.986000 3.706000 36 F A 2 "PHE " " O " 8 0 1 1 55.15 573 + 574 3 0.186000 -32.173000 6.272000 36 F A 2 "PHE " " CB " 6 0 1 1 49.98 574 + 575 2 -0.393000 -30.772000 6.162000 36 F A 2 "PHE " " CG " 6 0 1 1 56.23 575 + 576 2 -1.223000 -30.439000 5.071000 36 F A 2 "PHE " " CD1" 6 0 1 1 51.24 576 + 577 2 -0.140000 -29.803000 7.155000 36 F A 2 "PHE " " CD2" 6 0 1 1 59.4 577 + 578 2 -1.770000 -29.170000 4.980000 36 F A 2 "PHE " " CE1" 6 0 1 1 57.69 578 + 579 2 -0.708000 -28.538000 7.047000 36 F A 2 "PHE " " CE2" 6 0 1 1 57.51 579 + 580 2 -1.520000 -28.224000 5.966000 36 F A 2 "PHE " " CZ " 6 0 1 1 51.29 580 + 581 43 1.278000 -34.407000 6.199000 36 F A 2 "PHE " " H " 1 0 1 1 48.05 581 + 582 41 0.366000 -32.696000 4.199000 36 F A 2 "PHE " " HA " 1 0 1 1 48.37 582 + 583 41 0.781000 -32.244000 7.182000 36 F A 2 "PHE " " HB3" 1 0 1 1 49.98 583 + 584 41 -0.657000 -32.852000 6.413000 36 F A 2 "PHE " " HB2" 1 0 1 1 49.98 584 + 585 41 -1.436000 -31.167000 4.302000 36 F A 2 "PHE " " HD1" 1 0 1 1 51.24 585 + 586 41 0.494000 -30.035000 7.998000 36 F A 2 "PHE " " HD2" 1 0 1 1 59.4 586 + 587 41 -2.391000 -28.924000 4.135000 36 F A 2 "PHE " " HE1" 1 0 1 1 57.69 587 + 588 41 -0.507000 -27.790000 7.799000 36 F A 2 "PHE " " HE2" 1 0 1 1 57.51 588 + 589 41 -1.948000 -27.236000 5.887000 36 F A 2 "PHE " " HZ " 1 0 1 1 51.29 589 + 590 25 3.266000 -31.700000 5.486000 37 L A 2 "LEU " " N " 7 0 1 1 52.22 590 + 591 3 4.473000 -30.912000 5.215000 37 L A 2 "LEU " " CA " 6 0 1 1 54.63 591 + 592 2 5.131000 -31.256000 3.869000 37 L A 2 "LEU " " C " 6 0 1 1 57.59 592 + 593 15 5.559000 -30.330000 3.181000 37 L A 2 "LEU " " O " 8 0 1 1 63.95 593 + 594 3 5.502000 -31.069000 6.357000 37 L A 2 "LEU " " CB " 6 0 1 1 50.12 594 + 595 3 5.126000 -30.377000 7.684000 37 L A 2 "LEU " " CG " 6 0 1 1 44.06 595 + 596 3 6.158000 -30.722000 8.777000 37 L A 2 "LEU " " CD1" 6 0 1 1 34.67 596 + 597 3 4.930000 -28.853000 7.533000 37 L A 2 "LEU " " CD2" 6 0 1 1 14.4 597 + 598 43 3.301000 -32.310000 6.293000 37 L A 2 "LEU " " H " 1 0 1 1 52.22 598 + 599 41 4.166000 -29.867000 5.153000 37 L A 2 "LEU " " HA " 1 0 1 1 54.63 599 + 600 41 6.462000 -30.659000 6.038000 37 L A 2 "LEU " " HB3" 1 0 1 1 50.12 600 + 601 41 5.677000 -32.133000 6.530000 37 L A 2 "LEU " " HB2" 1 0 1 1 50.12 601 + 602 41 4.169000 -30.782000 8.009000 37 L A 2 "LEU " " HG " 1 0 1 1 44.06 602 + 603 41 5.676000 -31.138000 9.659000 37 L A 2 "LEU " "HD11" 1 0 1 1 34.67 603 + 604 41 6.882000 -31.464000 8.439000 37 L A 2 "LEU " "HD12" 1 0 1 1 34.67 604 + 605 41 6.725000 -29.851000 9.103000 37 L A 2 "LEU " "HD13" 1 0 1 1 34.67 605 + 606 41 5.369000 -28.286000 8.353000 37 L A 2 "LEU " "HD21" 1 0 1 1 14.4 606 + 607 41 5.373000 -28.474000 6.612000 37 L A 2 "LEU " "HD22" 1 0 1 1 14.4 607 + 608 41 3.869000 -28.602000 7.511000 37 L A 2 "LEU " "HD23" 1 0 1 1 14.4 608 + 609 25 5.179000 -32.552000 3.505000 38 V A 2 "VAL " " N " 7 0 1 1 54.2 609 + 610 3 5.693000 -33.024000 2.215000 38 V A 2 "VAL " " CA " 6 0 1 1 52.12 610 + 611 2 4.847000 -32.512000 1.036000 38 V A 2 "VAL " " C " 6 0 1 1 57.39 611 + 612 15 5.420000 -31.954000 0.103000 38 V A 2 "VAL " " O " 8 0 1 1 53.96 612 + 613 3 5.824000 -34.574000 2.153000 38 V A 2 "VAL " " CB " 6 0 1 1 45.14 613 + 614 3 6.036000 -35.162000 0.739000 38 V A 2 "VAL " " CG1" 6 0 1 1 51.28 614 + 615 3 6.960000 -35.061000 3.069000 38 V A 2 "VAL " " CG2" 6 0 1 1 45.56 615 + 616 43 4.810000 -33.261000 4.126000 38 V A 2 "VAL " " H " 1 0 1 1 54.2 616 + 617 41 6.693000 -32.611000 2.086000 38 V A 2 "VAL " " HA " 1 0 1 1 52.12 617 + 618 41 4.901000 -35.004000 2.544000 38 V A 2 "VAL " " HB " 1 0 1 1 45.14 618 + 619 41 6.212000 -36.236000 0.790000 38 V A 2 "VAL " "HG11" 1 0 1 1 51.28 619 + 620 41 5.165000 -35.027000 0.097000 38 V A 2 "VAL " "HG12" 1 0 1 1 51.28 620 + 621 41 6.896000 -34.708000 0.244000 38 V A 2 "VAL " "HG13" 1 0 1 1 51.28 621 + 622 41 6.931000 -36.144000 3.191000 38 V A 2 "VAL " "HG21" 1 0 1 1 45.56 622 + 623 41 7.936000 -34.805000 2.655000 38 V A 2 "VAL " "HG22" 1 0 1 1 45.56 623 + 624 41 6.907000 -34.621000 4.063000 38 V A 2 "VAL " "HG23" 1 0 1 1 45.56 624 + 625 25 3.514000 -32.661000 1.120000 39 E A 2 "GLU " " N " 7 0 1 1 60.79 625 + 626 3 2.570000 -32.179000 0.113000 39 E A 2 "GLU " " CA " 6 0 1 1 69.47 626 + 627 2 2.619000 -30.651000 -0.073000 39 E A 2 "GLU " " C " 6 0 1 1 71.84 627 + 628 15 2.750000 -30.217000 -1.213000 39 E A 2 "GLU " " O " 8 0 1 1 71.98 628 + 629 3 1.147000 -32.659000 0.438000 39 E A 2 "GLU " " CB " 6 0 1 1 68.6 629 + 630 3 0.937000 -34.179000 0.302000 39 E A 2 "GLU " " CG " 6 0 1 1 82.65 630 + 631 2 -0.487000 -34.626000 0.647000 39 E A 2 "GLU " " CD " 6 0 1 1 95.13 631 + 632 15 -1.187000 -33.883000 1.371000 39 E A 2 "GLU " " OE1" 8 0 1 1 102.92 632 + 633 18 -0.852000 -35.726000 0.180000 39 E A 2 "GLU " " OE2" 8 -1 1 1 87.53 633 + 634 43 3.110000 -33.132000 1.921000 39 E A 2 "GLU " " H " 1 0 1 1 60.79 634 + 635 41 2.861000 -32.625000 -0.841000 39 E A 2 "GLU " " HA " 1 0 1 1 69.47 635 + 636 41 0.451000 -32.179000 -0.246000 39 E A 2 "GLU " " HB3" 1 0 1 1 68.6 636 + 637 41 0.884000 -32.335000 1.446000 39 E A 2 "GLU " " HB2" 1 0 1 1 68.6 637 + 638 41 1.632000 -34.733000 0.929000 39 E A 2 "GLU " " HG3" 1 0 1 1 82.65 638 + 639 41 1.151000 -34.480000 -0.724000 39 E A 2 "GLU " " HG2" 1 0 1 1 82.65 639 + 640 25 2.597000 -29.879000 1.032000 40 L A 2 "LEU " " N " 7 0 1 1 72.19 640 + 641 3 2.770000 -28.418000 1.053000 40 L A 2 "LEU " " CA " 6 0 1 1 61.7 641 + 642 2 4.069000 -27.957000 0.372000 40 L A 2 "LEU " " C " 6 0 1 1 64.47 642 + 643 15 4.023000 -27.043000 -0.450000 40 L A 2 "LEU " " O " 8 0 1 1 72.46 643 + 644 3 2.790000 -27.901000 2.506000 40 L A 2 "LEU " " CB " 6 0 1 1 54.01 644 + 645 3 1.445000 -27.912000 3.251000 40 L A 2 "LEU " " CG " 6 0 1 1 44.39 645 + 646 3 1.712000 -27.764000 4.763000 40 L A 2 "LEU " " CD1" 6 0 1 1 35.25 646 + 647 3 0.472000 -26.847000 2.707000 40 L A 2 "LEU " " CD2" 6 0 1 1 42.86 647 + 648 43 2.486000 -30.322000 1.936000 40 L A 2 "LEU " " H " 1 0 1 1 72.19 648 + 649 41 1.930000 -27.971000 0.517000 40 L A 2 "LEU " " HA " 1 0 1 1 61.7 649 + 650 41 3.169000 -26.878000 2.529000 40 L A 2 "LEU " " HB3" 1 0 1 1 54.01 650 + 651 41 3.516000 -28.492000 3.067000 40 L A 2 "LEU " " HB2" 1 0 1 1 54.01 651 + 652 41 0.956000 -28.872000 3.100000 40 L A 2 "LEU " " HG " 1 0 1 1 44.39 652 + 653 41 0.972000 -27.147000 5.261000 40 L A 2 "LEU " "HD11" 1 0 1 1 35.25 653 + 654 41 1.690000 -28.737000 5.251000 40 L A 2 "LEU " "HD12" 1 0 1 1 35.25 654 + 655 41 2.688000 -27.327000 4.973000 40 L A 2 "LEU " "HD13" 1 0 1 1 35.25 655 + 656 41 0.038000 -26.227000 3.489000 40 L A 2 "LEU " "HD21" 1 0 1 1 42.86 656 + 657 41 0.961000 -26.183000 1.997000 40 L A 2 "LEU " "HD22" 1 0 1 1 42.86 657 + 658 41 -0.361000 -27.310000 2.183000 40 L A 2 "LEU " "HD23" 1 0 1 1 42.86 658 + 659 25 5.198000 -28.601000 0.717000 41 S A 2 "SER " " N " 7 0 1 1 56.8 659 + 660 3 6.511000 -28.305000 0.140000 41 S A 2 "SER " " CA " 6 0 1 1 57.02 660 + 661 2 6.589000 -28.601000 -1.370000 41 S A 2 "SER " " C " 6 0 1 1 60.75 661 + 662 15 7.257000 -27.845000 -2.074000 41 S A 2 "SER " " O " 8 0 1 1 61.09 662 + 663 3 7.624000 -28.984000 0.966000 41 S A 2 "SER " " CB " 6 0 1 1 54.5 663 + 664 16 7.766000 -30.360000 0.683000 41 S A 2 "SER " " OG " 8 0 1 1 39.54 664 + 665 43 5.165000 -29.334000 1.414000 41 S A 2 "SER " " H " 1 0 1 1 56.8 665 + 666 41 6.657000 -27.230000 0.256000 41 S A 2 "SER " " HA " 1 0 1 1 57.02 666 + 667 41 7.461000 -28.846000 2.034000 41 S A 2 "SER " " HB3" 1 0 1 1 54.5 667 + 668 41 8.580000 -28.513000 0.738000 41 S A 2 "SER " " HB2" 1 0 1 1 54.5 668 + 669 42 6.936000 -30.805000 0.879000 41 S A 2 "SER " " HG " 1 0 1 1 39.54 669 + 670 25 5.859000 -29.628000 -1.850000 42 R A 2 "ARG " " N " 7 0 1 1 62.11 670 + 671 3 5.698000 -29.919000 -3.276000 42 R A 2 "ARG " " CA " 6 0 1 1 60.8 671 + 672 2 4.897000 -28.847000 -4.035000 42 R A 2 "ARG " " C " 6 0 1 1 58.13 672 + 673 15 5.272000 -28.547000 -5.168000 42 R A 2 "ARG " " O " 8 0 1 1 61.04 673 + 674 3 5.059000 -31.304000 -3.503000 42 R A 2 "ARG " " CB " 6 0 1 1 68.18 674 + 675 3 5.985000 -32.492000 -3.200000 42 R A 2 "ARG " " CG " 6 0 1 1 91.19 675 + 676 3 5.599000 -33.761000 -3.974000 42 R A 2 "ARG " " CD " 6 0 1 1 103.75 676 + 677 25 5.898000 -33.602000 -5.407000 42 R A 2 "ARG " " NE " 7 0 1 1 126.25 677 + 678 2 5.221000 -34.118000 -6.446000 42 R A 2 "ARG " " CZ " 6 0 1 1 130.41 678 + 679 25 4.148000 -34.901000 -6.271000 42 R A 2 "ARG " " NH1" 7 0 1 1 136.49 679 + 680 31 5.630000 -33.833000 -7.690000 42 R A 2 "ARG " " NH2" 7 1 1 1 125.72 680 + 681 43 5.332000 -30.208000 -1.210000 42 R A 2 "ARG " " H " 1 0 1 1 62.11 681 + 682 41 6.699000 -29.931000 -3.712000 42 R A 2 "ARG " " HA " 1 0 1 1 60.8 682 + 683 41 4.784000 -31.361000 -4.558000 42 R A 2 "ARG " " HB3" 1 0 1 1 68.18 683 + 684 41 4.123000 -31.411000 -2.960000 42 R A 2 "ARG " " HB2" 1 0 1 1 68.18 684 + 685 41 6.151000 -32.679000 -2.143000 42 R A 2 "ARG " " HG3" 1 0 1 1 91.19 685 + 686 41 6.955000 -32.191000 -3.592000 42 R A 2 "ARG " " HG2" 1 0 1 1 91.19 686 + 687 41 4.513000 -33.825000 -3.920000 42 R A 2 "ARG " " HD3" 1 0 1 1 103.75 687 + 688 41 5.981000 -34.683000 -3.533000 42 R A 2 "ARG " " HD2" 1 0 1 1 103.75 688 + 689 43 6.743000 -33.085000 -5.608000 42 R A 2 "ARG " " HE " 1 0 1 1 126.25 689 + 690 43 3.649000 -35.282000 -7.062000 42 R A 2 "ARG " "HH12" 1 0 1 1 136.49 690 + 691 43 3.836000 -35.124000 -5.336000 42 R A 2 "ARG " "HH11" 1 0 1 1 136.49 691 + 692 44 5.139000 -34.209000 -8.489000 42 R A 2 "ARG " "HH22" 1 0 1 1 125.72 692 + 693 44 6.437000 -33.245000 -7.840000 42 R A 2 "ARG " "HH21" 1 0 1 1 125.72 693 + 694 25 3.839000 -28.282000 -3.417000 43 V A 2 "VAL " " N " 7 0 1 1 44.72 694 + 695 3 3.052000 -27.186000 -4.003000 43 V A 2 "VAL " " CA " 6 0 1 1 48.72 695 + 696 2 3.909000 -25.922000 -4.192000 43 V A 2 "VAL " " C " 6 0 1 1 45.66 696 + 697 15 3.916000 -25.357000 -5.286000 43 V A 2 "VAL " " O " 8 0 1 1 49.68 697 + 698 3 1.803000 -26.790000 -3.159000 43 V A 2 "VAL " " CB " 6 0 1 1 48.77 698 + 699 3 1.042000 -25.570000 -3.730000 43 V A 2 "VAL " " CG1" 6 0 1 1 32.69 699 + 700 3 0.839000 -27.970000 -2.968000 43 V A 2 "VAL " " CG2" 6 0 1 1 49.83 700 + 701 43 3.575000 -28.585000 -2.489000 43 V A 2 "VAL " " H " 1 0 1 1 44.72 701 + 702 41 2.711000 -27.513000 -4.988000 43 V A 2 "VAL " " HA " 1 0 1 1 48.72 702 + 703 41 2.127000 -26.508000 -2.158000 43 V A 2 "VAL " " HB " 1 0 1 1 48.77 703 + 704 41 0.060000 -25.455000 -3.274000 43 V A 2 "VAL " "HG11" 1 0 1 1 32.69 704 + 705 41 1.575000 -24.636000 -3.555000 43 V A 2 "VAL " "HG12" 1 0 1 1 32.69 705 + 706 41 0.892000 -25.667000 -4.805000 43 V A 2 "VAL " "HG13" 1 0 1 1 32.69 706 + 707 41 -0.090000 -27.660000 -2.490000 43 V A 2 "VAL " "HG21" 1 0 1 1 49.83 707 + 708 41 0.598000 -28.448000 -3.916000 43 V A 2 "VAL " "HG22" 1 0 1 1 49.83 708 + 709 41 1.267000 -28.730000 -2.328000 43 V A 2 "VAL " "HG23" 1 0 1 1 49.83 709 + 710 25 4.645000 -25.549000 -3.130000 44 L A 2 "LEU " " N " 7 0 1 1 53.6 710 + 711 3 5.607000 -24.449000 -3.099000 44 L A 2 "LEU " " CA " 6 0 1 1 58.47 711 + 712 2 6.711000 -24.582000 -4.169000 44 L A 2 "LEU " " C " 6 0 1 1 56.38 712 + 713 15 7.107000 -23.565000 -4.736000 44 L A 2 "LEU " " O " 8 0 1 1 53.18 713 + 714 3 6.170000 -24.344000 -1.657000 44 L A 2 "LEU " " CB " 6 0 1 1 61.11 714 + 715 3 7.278000 -23.292000 -1.411000 44 L A 2 "LEU " " CG " 6 0 1 1 60.45 715 + 716 3 6.803000 -21.852000 -1.674000 44 L A 2 "LEU " " CD1" 6 0 1 1 62.27 716 + 717 3 7.897000 -23.419000 -0.009000 44 L A 2 "LEU " " CD2" 6 0 1 1 55.99 717 + 718 43 4.569000 -26.087000 -2.277000 44 L A 2 "LEU " " H " 1 0 1 1 53.6 718 + 719 41 5.047000 -23.538000 -3.317000 44 L A 2 "LEU " " HA " 1 0 1 1 58.47 719 + 720 41 6.565000 -25.320000 -1.376000 44 L A 2 "LEU " " HB3" 1 0 1 1 61.11 720 + 721 41 5.346000 -24.154000 -0.968000 44 L A 2 "LEU " " HB2" 1 0 1 1 61.11 721 + 722 41 8.087000 -23.512000 -2.102000 44 L A 2 "LEU " " HG " 1 0 1 1 60.45 722 + 723 41 7.636000 -21.151000 -1.612000 44 L A 2 "LEU " "HD11" 1 0 1 1 62.27 723 + 724 41 6.361000 -21.737000 -2.663000 44 L A 2 "LEU " "HD12" 1 0 1 1 62.27 724 + 725 41 6.062000 -21.545000 -0.937000 44 L A 2 "LEU " "HD13" 1 0 1 1 62.27 725 + 726 41 8.971000 -23.601000 -0.073000 44 L A 2 "LEU " "HD21" 1 0 1 1 55.99 726 + 727 41 7.760000 -22.510000 0.576000 44 L A 2 "LEU " "HD22" 1 0 1 1 55.99 727 + 728 41 7.462000 -24.240000 0.560000 44 L A 2 "LEU " "HD23" 1 0 1 1 55.99 728 + 729 25 7.162000 -25.819000 -4.441000 45 A A 2 "ALA " " N " 7 0 1 1 53.08 729 + 730 3 8.235000 -26.129000 -5.384000 45 A A 2 "ALA " " CA " 6 0 1 1 55.06 730 + 731 2 7.861000 -26.007000 -6.867000 45 A A 2 "ALA " " C " 6 0 1 1 56.79 731 + 732 15 8.711000 -25.566000 -7.639000 45 A A 2 "ALA " " O " 8 0 1 1 64.84 732 + 733 3 8.793000 -27.525000 -5.075000 45 A A 2 "ALA " " CB " 6 0 1 1 51.02 733 + 734 43 6.785000 -26.603000 -3.927000 45 A A 2 "ALA " " H " 1 0 1 1 53.08 734 + 735 41 9.040000 -25.416000 -5.228000 45 A A 2 "ALA " " HA " 1 0 1 1 55.06 735 + 736 41 9.621000 -27.781000 -5.737000 45 A A 2 "ALA " " HB1" 1 0 1 1 51.02 736 + 737 41 9.171000 -27.567000 -4.056000 45 A A 2 "ALA " " HB2" 1 0 1 1 51.02 737 + 738 41 8.032000 -28.299000 -5.178000 45 A A 2 "ALA " " HB3" 1 0 1 1 51.02 738 + 739 25 6.633000 -26.405000 -7.241000 46 N A 2 "ASN " " N " 7 0 0 1 54.15 739 + 740 3 6.173000 -26.477000 -8.630000 46 N A 2 "ASN " " CA " 6 0 0 1 50.79 740 + 741 2 5.831000 -25.064000 -9.166000 46 N A 2 "ASN " " C " 6 0 0 1 56.08 741 + 742 15 4.858000 -24.479000 -8.685000 46 N A 2 "ASN " " O " 8 0 0 1 65.06 742 + 743 3 4.963000 -27.440000 -8.658000 46 N A 2 "ASN " " CB " 6 0 0 1 61.03 743 + 744 2 4.365000 -27.709000 -10.050000 46 N A 2 "ASN " " CG " 6 0 0 1 73.24 744 + 745 15 4.908000 -27.306000 -11.077000 46 N A 2 "ASN " " OD1" 8 0 0 1 83.31 745 + 746 25 3.234000 -28.414000 -10.086000 46 N A 2 "ASN " " ND2" 7 0 0 1 77.41 746 + 747 43 5.985000 -26.735000 -6.539000 46 N A 2 "ASN " " H " 1 0 0 1 54.15 747 + 748 41 6.956000 -26.970000 -9.203000 46 N A 2 "ASN " " HA " 1 0 0 1 50.79 748 + 749 41 4.186000 -27.078000 -7.988000 46 N A 2 "ASN " " HB3" 1 0 0 1 61.03 749 + 750 41 5.272000 -28.407000 -8.258000 46 N A 2 "ASN " " HB2" 1 0 0 1 61.03 750 + 751 43 2.799000 -28.628000 -10.971000 46 N A 2 "ASN " "HD22" 1 0 0 1 77.41 751 + 752 43 2.796000 -28.723000 -9.229000 46 N A 2 "ASN " "HD21" 1 0 0 1 77.41 752 + 753 25 6.589000 -24.551000 -10.171000 47 P A 2 "PRO " " N " 7 0 0 1 53.78 753 + 754 3 6.285000 -23.257000 -10.822000 47 P A 2 "PRO " " CA " 6 0 0 1 47.13 754 + 755 2 4.979000 -23.199000 -11.638000 47 P A 2 "PRO " " C " 6 0 0 1 52.78 755 + 756 15 4.565000 -22.100000 -12.004000 47 P A 2 "PRO " " O " 8 0 0 1 53.8 756 + 757 3 7.509000 -22.974000 -11.718000 47 P A 2 "PRO " " CB " 6 0 0 1 37.88 757 + 758 3 8.587000 -23.923000 -11.232000 47 P A 2 "PRO " " CG " 6 0 0 1 35.68 758 + 759 3 7.794000 -25.131000 -10.767000 47 P A 2 "PRO " " CD " 6 0 0 1 41.06 759 + 760 41 6.231000 -22.505000 -10.038000 47 P A 2 "PRO " " HA " 1 0 0 1 47.13 760 + 761 41 7.830000 -21.933000 -11.669000 47 P A 2 "PRO " " HB3" 1 0 0 1 37.88 761 + 762 41 7.288000 -23.197000 -12.764000 47 P A 2 "PRO " " HB2" 1 0 0 1 37.88 762 + 763 41 9.092000 -23.482000 -10.373000 47 P A 2 "PRO " " HG3" 1 0 0 1 35.68 763 + 764 41 9.339000 -24.155000 -11.986000 47 P A 2 "PRO " " HG2" 1 0 0 1 35.68 764 + 765 41 7.503000 -25.757000 -11.612000 47 P A 2 "PRO " " HD2" 1 0 0 1 41.06 765 + 766 41 8.409000 -25.730000 -10.100000 47 P A 2 "PRO " " HD3" 1 0 0 1 41.06 766 + 767 25 4.354000 -24.361000 -11.900000 48 G A 2 "GLY " " N " 7 0 0 1 60.02 767 + 768 3 3.085000 -24.481000 -12.617000 48 G A 2 "GLY " " CA " 6 0 0 1 65.1 768 + 769 2 1.873000 -24.062000 -11.765000 48 G A 2 "GLY " " C " 6 0 0 1 59.81 769 + 770 15 0.786000 -23.912000 -12.320000 48 G A 2 "GLY " " O " 8 0 0 1 61.79 770 + 771 43 4.766000 -25.225000 -11.574000 48 G A 2 "GLY " " H " 1 0 0 1 60.02 771 + 772 41 2.955000 -25.519000 -12.920000 48 G A 2 "GLY " " HA3" 1 0 0 1 65.1 772 + 773 41 3.112000 -23.885000 -13.530000 48 G A 2 "GLY " " HA2" 1 0 0 1 65.1 773 + 774 25 2.044000 -23.869000 -10.444000 49 N A 2 "ASN " " N " 7 0 0 1 60.42 774 + 775 3 1.003000 -23.390000 -9.532000 49 N A 2 "ASN " " CA " 6 0 0 1 62.03 775 + 776 2 0.967000 -21.855000 -9.490000 49 N A 2 "ASN " " C " 6 0 0 1 64.18 776 + 777 15 1.983000 -21.195000 -9.711000 49 N A 2 "ASN " " O " 8 0 0 1 50.27 777 + 778 3 1.249000 -23.986000 -8.127000 49 N A 2 "ASN " " CB " 6 0 0 1 72.94 778 + 779 2 1.028000 -25.499000 -8.050000 49 N A 2 "ASN " " CG " 6 0 0 1 76.29 779 + 780 15 1.908000 -26.236000 -7.619000 49 N A 2 "ASN " " OD1" 8 0 0 1 88.01 780 + 781 25 -0.154000 -25.974000 -8.448000 49 N A 2 "ASN " " ND2" 7 0 0 1 73.38 781 + 782 43 2.961000 -24.003000 -10.040000 49 N A 2 "ASN " " H " 1 0 0 1 60.42 782 + 783 41 0.041000 -23.749000 -9.904000 49 N A 2 "ASN " " HA " 1 0 0 1 62.03 783 + 784 41 0.582000 -23.527000 -7.395000 49 N A 2 "ASN " " HB3" 1 0 0 1 72.94 784 + 785 41 2.266000 -23.769000 -7.802000 49 N A 2 "ASN " " HB2" 1 0 0 1 72.94 785 + 786 43 -0.339000 -26.965000 -8.405000 49 N A 2 "ASN " "HD22" 1 0 0 1 73.38 786 + 787 43 -0.872000 -25.352000 -8.791000 49 N A 2 "ASN " "HD21" 1 0 0 1 73.38 787 + 788 25 -0.228000 -21.329000 -9.173000 50 S A 2 "SER " " N " 7 0 0 1 64.54 788 + 789 3 -0.528000 -19.908000 -8.978000 50 S A 2 "SER " " CA " 6 0 0 1 67.69 789 + 790 2 0.291000 -19.284000 -7.833000 50 S A 2 "SER " " C " 6 0 0 1 69.28 790 + 791 15 0.654000 -20.002000 -6.900000 50 S A 2 "SER " " O " 8 0 0 1 67.79 791 + 792 3 -2.052000 -19.785000 -8.734000 50 S A 2 "SER " " CB " 6 0 0 1 71.93 792 + 793 16 -2.451000 -20.320000 -7.484000 50 S A 2 "SER " " OG " 8 0 0 1 64.03 793 + 794 43 -1.001000 -21.952000 -8.986000 50 S A 2 "SER " " H " 1 0 0 1 64.54 794 + 795 41 -0.278000 -19.389000 -9.905000 50 S A 2 "SER " " HA " 1 0 0 1 67.69 795 + 796 41 -2.613000 -20.281000 -9.528000 50 S A 2 "SER " " HB3" 1 0 0 1 71.93 796 + 797 41 -2.348000 -18.735000 -8.758000 50 S A 2 "SER " " HB2" 1 0 0 1 71.93 797 + 798 42 -3.368000 -20.612000 -7.539000 50 S A 2 "SER " " HG " 1 0 0 1 64.03 798 + 799 25 0.516000 -17.954000 -7.889000 51 Q A 2 "GLN " " N " 7 0 1 1 74.91 799 + 800 3 1.106000 -17.184000 -6.782000 51 Q A 2 "GLN " " CA " 6 0 1 1 74.41 800 + 801 2 0.376000 -17.417000 -5.451000 51 Q A 2 "GLN " " C " 6 0 1 1 75.43 801 + 802 15 1.040000 -17.653000 -4.448000 51 Q A 2 "GLN " " O " 8 0 1 1 73.7 802 + 803 3 1.209000 -15.674000 -7.124000 51 Q A 2 "GLN " " CB " 6 0 1 1 77.97 803 + 804 3 1.556000 -14.773000 -5.904000 51 Q A 2 "GLN " " CG " 6 0 1 1 86.21 804 + 805 2 1.782000 -13.287000 -6.187000 51 Q A 2 "GLN " " CD " 6 0 1 1 96.35 805 + 806 15 2.024000 -12.527000 -5.253000 51 Q A 2 "GLN " " OE1" 8 0 1 1 90.21 806 + 807 25 1.733000 -12.857000 -7.449000 51 Q A 2 "GLN " " NE2" 7 0 1 1 107.22 807 + 808 43 0.197000 -17.422000 -8.686000 51 Q A 2 "GLN " " H " 1 0 1 1 74.91 808 + 809 41 2.124000 -17.559000 -6.653000 51 Q A 2 "GLN " " HA " 1 0 1 1 74.41 809 + 810 41 0.267000 -15.336000 -7.558000 51 Q A 2 "GLN " " HB3" 1 0 1 1 77.97 810 + 811 41 1.968000 -15.552000 -7.898000 51 Q A 2 "GLN " " HB2" 1 0 1 1 77.97 811 + 812 41 2.454000 -15.154000 -5.416000 51 Q A 2 "GLN " " HG3" 1 0 1 1 86.21 812 + 813 41 0.761000 -14.811000 -5.158000 51 Q A 2 "GLN " " HG2" 1 0 1 1 86.21 813 + 814 43 1.876000 -11.878000 -7.653000 51 Q A 2 "GLN " "HE22" 1 0 1 1 107.22 814 + 815 43 1.535000 -13.498000 -8.203000 51 Q A 2 "GLN " "HE21" 1 0 1 1 107.22 815 + 816 25 -0.965000 -17.383000 -5.497000 52 V A 2 "VAL " " N " 7 0 1 1 72.22 816 + 817 3 -1.864000 -17.602000 -4.368000 52 V A 2 "VAL " " CA " 6 0 1 1 66.65 817 + 818 2 -1.616000 -18.952000 -3.663000 52 V A 2 "VAL " " C " 6 0 1 1 68.12 818 + 819 15 -1.412000 -18.952000 -2.450000 52 V A 2 "VAL " " O " 8 0 1 1 73.19 819 + 820 3 -3.354000 -17.520000 -4.815000 52 V A 2 "VAL " " CB " 6 0 1 1 63.54 820 + 821 3 -4.370000 -17.817000 -3.692000 52 V A 2 "VAL " " CG1" 6 0 1 1 53.45 821 + 822 3 -3.675000 -16.149000 -5.441000 52 V A 2 "VAL " " CG2" 6 0 1 1 74.17 822 + 823 43 -1.417000 -17.202000 -6.381000 52 V A 2 "VAL " " H " 1 0 1 1 72.22 823 + 824 41 -1.674000 -16.807000 -3.644000 52 V A 2 "VAL " " HA " 1 0 1 1 66.65 824 + 825 41 -3.518000 -18.267000 -5.593000 52 V A 2 "VAL " " HB " 1 0 1 1 63.54 825 + 826 41 -5.395000 -17.707000 -4.046000 52 V A 2 "VAL " "HG11" 1 0 1 1 53.45 826 + 827 41 -4.278000 -18.833000 -3.312000 52 V A 2 "VAL " "HG12" 1 0 1 1 53.45 827 + 828 41 -4.236000 -17.136000 -2.852000 52 V A 2 "VAL " "HG13" 1 0 1 1 53.45 828 + 829 41 -4.721000 -16.089000 -5.743000 52 V A 2 "VAL " "HG21" 1 0 1 1 74.17 829 + 830 41 -3.488000 -15.340000 -4.735000 52 V A 2 "VAL " "HG22" 1 0 1 1 74.17 830 + 831 41 -3.075000 -15.960000 -6.331000 52 V A 2 "VAL " "HG23" 1 0 1 1 74.17 831 + 832 25 -1.600000 -20.055000 -4.435000 53 A A 2 "ALA " " N " 7 0 1 1 65.16 832 + 833 3 -1.383000 -21.412000 -3.932000 53 A A 2 "ALA " " CA " 6 0 1 1 68 833 + 834 2 0.039000 -21.658000 -3.405000 53 A A 2 "ALA " " C " 6 0 1 1 69.06 834 + 835 15 0.167000 -22.238000 -2.329000 53 A A 2 "ALA " " O " 8 0 1 1 71.21 835 + 836 3 -1.736000 -22.435000 -5.021000 53 A A 2 "ALA " " CB " 6 0 1 1 78.99 836 + 837 43 -1.759000 -19.972000 -5.431000 53 A A 2 "ALA " " H " 1 0 1 1 65.16 837 + 838 41 -2.075000 -21.567000 -3.101000 53 A A 2 "ALA " " HA " 1 0 1 1 68 838 + 839 41 -1.602000 -23.456000 -4.661000 53 A A 2 "ALA " " HB1" 1 0 1 1 78.99 839 + 840 41 -2.776000 -22.335000 -5.330000 53 A A 2 "ALA " " HB2" 1 0 1 1 78.99 840 + 841 41 -1.114000 -22.309000 -5.907000 53 A A 2 "ALA " " HB3" 1 0 1 1 78.99 841 + 842 25 1.071000 -21.204000 -4.143000 54 R A 2 "ARG " " N " 7 0 1 1 64.18 842 + 843 3 2.481000 -21.329000 -3.747000 54 R A 2 "ARG " " CA " 6 0 1 1 58.99 843 + 844 2 2.819000 -20.529000 -2.479000 54 R A 2 "ARG " " C " 6 0 1 1 55.73 844 + 845 15 3.552000 -21.042000 -1.634000 54 R A 2 "ARG " " O " 8 0 1 1 64.2 845 + 846 3 3.417000 -20.918000 -4.902000 54 R A 2 "ARG " " CB " 6 0 1 1 50.23 846 + 847 3 3.306000 -21.818000 -6.142000 54 R A 2 "ARG " " CG " 6 0 1 1 56.43 847 + 848 3 4.329000 -21.496000 -7.243000 54 R A 2 "ARG " " CD " 6 0 1 1 48.12 848 + 849 25 5.686000 -21.915000 -6.874000 54 R A 2 "ARG " " NE " 7 0 1 1 55.7 849 + 850 2 6.826000 -21.516000 -7.460000 54 R A 2 "ARG " " CZ " 6 0 1 1 58.58 850 + 851 25 6.839000 -20.574000 -8.412000 54 R A 2 "ARG " " NH1" 7 0 1 1 67.19 851 + 852 31 7.973000 -22.087000 -7.089000 54 R A 2 "ARG " " NH2" 7 1 1 1 60.95 852 + 853 43 0.889000 -20.730000 -5.019000 54 R A 2 "ARG " " H " 1 0 1 1 64.18 853 + 854 41 2.664000 -22.383000 -3.526000 54 R A 2 "ARG " " HA " 1 0 1 1 58.99 854 + 855 41 4.447000 -20.956000 -4.549000 54 R A 2 "ARG " " HB3" 1 0 1 1 50.23 855 + 856 41 3.224000 -19.881000 -5.182000 54 R A 2 "ARG " " HB2" 1 0 1 1 50.23 856 + 857 41 2.299000 -21.845000 -6.551000 54 R A 2 "ARG " " HG3" 1 0 1 1 56.43 857 + 858 41 3.507000 -22.831000 -5.796000 54 R A 2 "ARG " " HG2" 1 0 1 1 56.43 858 + 859 41 4.379000 -20.412000 -7.323000 54 R A 2 "ARG " " HD3" 1 0 1 1 48.12 859 + 860 41 4.027000 -21.860000 -8.224000 54 R A 2 "ARG " " HD2" 1 0 1 1 48.12 860 + 861 43 5.749000 -22.651000 -6.183000 54 R A 2 "ARG " " HE " 1 0 1 1 55.7 861 + 862 43 7.711000 -20.321000 -8.864000 54 R A 2 "ARG " "HH12" 1 0 1 1 67.19 862 + 863 43 5.976000 -20.149000 -8.716000 54 R A 2 "ARG " "HH11" 1 0 1 1 67.19 863 + 864 44 8.852000 -21.851000 -7.535000 54 R A 2 "ARG " "HH22" 1 0 1 1 60.95 864 + 865 44 7.966000 -22.774000 -6.344000 54 R A 2 "ARG " "HH21" 1 0 1 1 60.95 865 + 866 25 2.254000 -19.315000 -2.353000 55 V A 2 "VAL " " N " 7 0 1 1 46.84 866 + 867 3 2.413000 -18.449000 -1.184000 55 V A 2 "VAL " " CA " 6 0 1 1 47.9 867 + 868 2 1.688000 -18.993000 0.059000 55 V A 2 "VAL " " C " 6 0 1 1 49.91 868 + 869 15 2.286000 -19.002000 1.135000 55 V A 2 "VAL " " O " 8 0 1 1 51.8 869 + 870 3 1.970000 -16.982000 -1.470000 55 V A 2 "VAL " " CB " 6 0 1 1 44.06 870 + 871 3 1.748000 -16.088000 -0.230000 55 V A 2 "VAL " " CG1" 6 0 1 1 40.18 871 + 872 3 2.969000 -16.283000 -2.414000 55 V A 2 "VAL " " CG2" 6 0 1 1 34.86 872 + 873 43 1.673000 -18.951000 -3.097000 55 V A 2 "VAL " " H " 1 0 1 1 46.84 873 + 874 41 3.474000 -18.448000 -0.954000 55 V A 2 "VAL " " HA " 1 0 1 1 47.9 874 + 875 41 1.010000 -17.023000 -1.986000 55 V A 2 "VAL " " HB " 1 0 1 1 44.06 875 + 876 41 1.553000 -15.056000 -0.522000 55 V A 2 "VAL " "HG11" 1 0 1 1 40.18 876 + 877 41 0.891000 -16.409000 0.363000 55 V A 2 "VAL " "HG12" 1 0 1 1 40.18 877 + 878 41 2.626000 -16.084000 0.417000 55 V A 2 "VAL " "HG13" 1 0 1 1 40.18 878 + 879 41 2.577000 -15.328000 -2.765000 55 V A 2 "VAL " "HG21" 1 0 1 1 34.86 879 + 880 41 3.916000 -16.083000 -1.913000 55 V A 2 "VAL " "HG22" 1 0 1 1 34.86 880 + 881 41 3.195000 -16.885000 -3.293000 55 V A 2 "VAL " "HG23" 1 0 1 1 34.86 881 + 882 25 0.441000 -19.467000 -0.116000 56 A A 2 "ALA " " N " 7 0 1 1 54.07 882 + 883 3 -0.357000 -20.101000 0.934000 56 A A 2 "ALA " " CA " 6 0 1 1 60.43 883 + 884 2 0.265000 -21.408000 1.456000 56 A A 2 "ALA " " C " 6 0 1 1 56.75 884 + 885 15 0.177000 -21.671000 2.654000 56 A A 2 "ALA " " O " 8 0 1 1 59.99 885 + 886 3 -1.784000 -20.332000 0.417000 56 A A 2 "ALA " " CB " 6 0 1 1 67.74 886 + 887 43 0.010000 -19.412000 -1.030000 56 A A 2 "ALA " " H " 1 0 1 1 54.07 887 + 888 41 -0.413000 -19.407000 1.775000 56 A A 2 "ALA " " HA " 1 0 1 1 60.43 888 + 889 41 -2.393000 -20.876000 1.140000 56 A A 2 "ALA " " HB1" 1 0 1 1 67.74 889 + 890 41 -2.285000 -19.383000 0.222000 56 A A 2 "ALA " " HB2" 1 0 1 1 67.74 890 + 891 41 -1.778000 -20.895000 -0.515000 56 A A 2 "ALA " " HB3" 1 0 1 1 67.74 891 + 892 25 0.926000 -22.167000 0.564000 57 A A 2 "ALA " " N " 7 0 1 1 53.3 892 + 893 3 1.683000 -23.373000 0.891000 57 A A 2 "ALA " " CA " 6 0 1 1 57.86 893 + 894 2 2.922000 -23.100000 1.754000 57 A A 2 "ALA " " C " 6 0 1 1 59.1 894 + 895 15 3.127000 -23.811000 2.737000 57 A A 2 "ALA " " O " 8 0 1 1 59.91 895 + 896 3 2.076000 -24.102000 -0.399000 57 A A 2 "ALA " " CB " 6 0 1 1 59.93 896 + 897 43 0.935000 -21.889000 -0.409000 57 A A 2 "ALA " " H " 1 0 1 1 53.3 897 + 898 41 1.028000 -24.024000 1.464000 57 A A 2 "ALA " " HA " 1 0 1 1 57.86 898 + 899 41 2.553000 -25.051000 -0.168000 57 A A 2 "ALA " " HB1" 1 0 1 1 59.93 899 + 900 41 1.206000 -24.321000 -1.013000 57 A A 2 "ALA " " HB2" 1 0 1 1 59.93 900 + 901 41 2.769000 -23.521000 -1.009000 57 A A 2 "ALA " " HB3" 1 0 1 1 59.93 901 + 902 25 3.699000 -22.064000 1.393000 58 G A 2 "GLY " " N " 7 0 1 1 59.05 902 + 903 3 4.898000 -21.658000 2.127000 58 G A 2 "GLY " " CA " 6 0 1 1 53.3 903 + 904 2 4.554000 -21.049000 3.497000 58 G A 2 "GLY " " C " 6 0 1 1 41.89 904 + 905 15 5.314000 -21.234000 4.447000 58 G A 2 "GLY " " O " 8 0 1 1 56.47 905 + 906 43 3.462000 -21.530000 0.568000 58 G A 2 "GLY " " H " 1 0 1 1 59.05 906 + 907 41 5.448000 -20.925000 1.540000 58 G A 2 "GLY " " HA3" 1 0 1 1 53.3 907 + 908 41 5.554000 -22.520000 2.255000 58 G A 2 "GLY " " HA2" 1 0 1 1 53.3 908 + 909 25 3.398000 -20.371000 3.615000 59 L A 2 "LEU " " N " 7 0 1 1 48.39 909 + 910 3 2.875000 -19.834000 4.872000 59 L A 2 "LEU " " CA " 6 0 1 1 43.35 910 + 911 2 2.483000 -20.943000 5.866000 59 L A 2 "LEU " " C " 6 0 1 1 44.27 911 + 912 15 2.831000 -20.832000 7.040000 59 L A 2 "LEU " " O " 8 0 1 1 53.84 912 + 913 3 1.707000 -18.867000 4.570000 59 L A 2 "LEU " " CB " 6 0 1 1 45.91 913 + 914 3 1.079000 -18.173000 5.803000 59 L A 2 "LEU " " CG " 6 0 1 1 52.31 914 + 915 3 2.117000 -17.366000 6.612000 59 L A 2 "LEU " " CD1" 6 0 1 1 56.68 915 + 916 3 -0.136000 -17.316000 5.394000 59 L A 2 "LEU " " CD2" 6 0 1 1 41.18 916 + 917 43 2.818000 -20.235000 2.798000 59 L A 2 "LEU " " H " 1 0 1 1 48.39 917 + 918 41 3.683000 -19.260000 5.329000 59 L A 2 "LEU " " HA " 1 0 1 1 43.35 918 + 919 41 0.927000 -19.415000 4.039000 59 L A 2 "LEU " " HB3" 1 0 1 1 45.91 919 + 920 41 2.054000 -18.101000 3.875000 59 L A 2 "LEU " " HB2" 1 0 1 1 45.91 920 + 921 41 0.685000 -18.948000 6.461000 59 L A 2 "LEU " " HG " 1 0 1 1 52.31 921 + 922 41 1.701000 -16.446000 7.023000 59 L A 2 "LEU " "HD11" 1 0 1 1 56.68 922 + 923 41 2.486000 -17.952000 7.454000 59 L A 2 "LEU " "HD12" 1 0 1 1 56.68 923 + 924 41 2.980000 -17.089000 6.007000 59 L A 2 "LEU " "HD13" 1 0 1 1 56.68 924 + 925 41 -1.017000 -17.594000 5.972000 59 L A 2 "LEU " "HD21" 1 0 1 1 41.18 925 + 926 41 0.032000 -16.250000 5.549000 59 L A 2 "LEU " "HD22" 1 0 1 1 41.18 926 + 927 41 -0.391000 -17.444000 4.341000 59 L A 2 "LEU " "HD23" 1 0 1 1 41.18 927 + 928 25 1.815000 -22.002000 5.376000 60 Q A 2 "GLN " " N " 7 0 1 1 52.75 928 + 929 3 1.437000 -23.180000 6.163000 60 Q A 2 "GLN " " CA " 6 0 1 1 51.28 929 + 930 2 2.626000 -23.978000 6.730000 60 Q A 2 "GLN " " C " 6 0 1 1 51.47 930 + 931 15 2.502000 -24.529000 7.825000 60 Q A 2 "GLN " " O " 8 0 1 1 56.54 931 + 932 3 0.521000 -24.094000 5.321000 60 Q A 2 "GLN " " CB " 6 0 1 1 51.37 932 + 933 3 -0.939000 -23.614000 5.179000 60 Q A 2 "GLN " " CG " 6 0 1 1 58.17 933 + 934 2 -1.760000 -23.603000 6.476000 60 Q A 2 "GLN " " CD " 6 0 1 1 58.33 934 + 935 15 -2.750000 -22.883000 6.562000 60 Q A 2 "GLN " " OE1" 8 0 1 1 60.89 935 + 936 25 -1.382000 -24.395000 7.483000 60 Q A 2 "GLN " " NE2" 7 0 1 1 69.65 936 + 937 43 1.557000 -22.018000 4.399000 60 Q A 2 "GLN " " H " 1 0 1 1 52.75 937 + 938 41 0.881000 -22.813000 7.027000 60 Q A 2 "GLN " " HA " 1 0 1 1 51.28 938 + 939 41 0.507000 -25.095000 5.747000 60 Q A 2 "GLN " " HB3" 1 0 1 1 51.37 939 + 940 41 0.950000 -24.210000 4.326000 60 Q A 2 "GLN " " HB2" 1 0 1 1 51.37 940 + 941 41 -1.458000 -24.256000 4.468000 60 Q A 2 "GLN " " HG3" 1 0 1 1 58.17 941 + 942 41 -0.961000 -22.610000 4.758000 60 Q A 2 "GLN " " HG2" 1 0 1 1 58.17 942 + 943 43 -1.916000 -24.408000 8.340000 60 Q A 2 "GLN " "HE22" 1 0 1 1 69.65 943 + 944 43 -0.566000 -24.984000 7.396000 60 Q A 2 "GLN " "HE21" 1 0 1 1 69.65 944 + 945 25 3.751000 -23.997000 5.996000 61 I A 2 "ILE " " N " 7 0 1 1 48.05 945 + 946 3 5.014000 -24.589000 6.437000 61 I A 2 "ILE " " CA " 6 0 1 1 55.17 946 + 947 2 5.672000 -23.745000 7.548000 61 I A 2 "ILE " " C " 6 0 1 1 67.38 947 + 948 15 6.057000 -24.319000 8.565000 61 I A 2 "ILE " " O " 8 0 1 1 78.98 948 + 949 3 6.000000 -24.793000 5.249000 61 I A 2 "ILE " " CB " 6 0 1 1 50.41 949 + 950 3 5.457000 -25.842000 4.254000 61 I A 2 "ILE " " CG1" 6 0 1 1 46.13 950 + 951 3 7.446000 -25.162000 5.651000 61 I A 2 "ILE " " CG2" 6 0 1 1 36.42 951 + 952 3 6.144000 -25.800000 2.880000 61 I A 2 "ILE " " CD1" 6 0 1 1 42.8 952 + 953 43 3.765000 -23.533000 5.097000 61 I A 2 "ILE " " H " 1 0 1 1 48.05 953 + 954 41 4.792000 -25.573000 6.858000 61 I A 2 "ILE " " HA " 1 0 1 1 55.17 954 + 955 41 6.041000 -23.846000 4.713000 61 I A 2 "ILE " " HB " 1 0 1 1 50.41 955 + 956 41 4.389000 -25.698000 4.104000 61 I A 2 "ILE " "HG13" 1 0 1 1 46.13 956 + 957 41 5.557000 -26.841000 4.680000 61 I A 2 "ILE " "HG12" 1 0 1 1 46.13 957 + 958 41 8.054000 -25.414000 4.783000 61 I A 2 "ILE " "HG21" 1 0 1 1 36.42 958 + 959 41 7.951000 -24.328000 6.137000 61 I A 2 "ILE " "HG22" 1 0 1 1 36.42 959 + 960 41 7.465000 -26.021000 6.322000 61 I A 2 "ILE " "HG23" 1 0 1 1 36.42 960 + 961 41 5.415000 -25.896000 2.076000 61 I A 2 "ILE " "HD11" 1 0 1 1 42.8 961 + 962 41 6.673000 -24.862000 2.718000 61 I A 2 "ILE " "HD12" 1 0 1 1 42.8 962 + 963 41 6.867000 -26.609000 2.778000 61 I A 2 "ILE " "HD13" 1 0 1 1 42.8 963 + 964 25 5.728000 -22.409000 7.369000 62 K A 2 "LYS " " N " 7 0 1 1 61.26 964 + 965 3 6.237000 -21.453000 8.363000 62 K A 2 "LYS " " CA " 6 0 1 1 58.01 965 + 966 2 5.471000 -21.525000 9.698000 62 K A 2 "LYS " " C " 6 0 1 1 56.52 966 + 967 15 6.105000 -21.621000 10.747000 62 K A 2 "LYS " " O " 8 0 1 1 64.5 967 + 968 3 6.205000 -20.017000 7.789000 62 K A 2 "LYS " " CB " 6 0 1 1 69.03 968 + 969 3 6.848000 -18.953000 8.709000 62 K A 2 "LYS " " CG " 6 0 1 1 83.32 969 + 970 3 6.282000 -17.547000 8.489000 62 K A 2 "LYS " " CD " 6 0 1 1 84.47 970 + 971 3 6.998000 -16.492000 9.345000 62 K A 2 "LYS " " CE " 6 0 1 1 92.33 971 + 972 32 6.452000 -15.147000 9.101000 62 K A 2 "LYS " " NZ " 7 1 1 1 105.46 972 + 973 43 5.385000 -22.011000 6.505000 62 K A 2 "LYS " " H " 1 0 1 1 61.26 973 + 974 41 7.279000 -21.717000 8.559000 62 K A 2 "LYS " " HA " 1 0 1 1 58.01 974 + 975 41 5.169000 -19.743000 7.591000 62 K A 2 "LYS " " HB3" 1 0 1 1 69.03 975 + 976 41 6.706000 -19.989000 6.820000 62 K A 2 "LYS " " HB2" 1 0 1 1 69.03 976 + 977 41 7.926000 -18.950000 8.541000 62 K A 2 "LYS " " HG3" 1 0 1 1 83.32 977 + 978 41 6.719000 -19.196000 9.761000 62 K A 2 "LYS " " HG2" 1 0 1 1 83.32 978 + 979 41 5.218000 -17.548000 8.729000 62 K A 2 "LYS " " HD3" 1 0 1 1 84.47 979 + 980 41 6.353000 -17.292000 7.435000 62 K A 2 "LYS " " HD2" 1 0 1 1 84.47 980 + 981 41 8.064000 -16.480000 9.114000 62 K A 2 "LYS " " HE3" 1 0 1 1 92.33 981 + 982 41 6.899000 -16.728000 10.405000 62 K A 2 "LYS " " HE2" 1 0 1 1 92.33 982 + 983 44 6.569000 -14.914000 8.123000 62 K A 2 "LYS " " HZ1" 1 0 1 1 105.46 983 + 984 44 5.470000 -15.128000 9.334000 62 K A 2 "LYS " " HZ2" 1 0 1 1 105.46 984 + 985 44 6.949000 -14.472000 9.665000 62 K A 2 "LYS " " HZ3" 1 0 1 1 105.46 985 + 986 25 4.128000 -21.509000 9.631000 63 N A 2 "ASN " " N " 7 0 0 1 58.1 986 + 987 3 3.227000 -21.571000 10.790000 63 N A 2 "ASN " " CA " 6 0 0 1 60.63 987 + 988 2 3.241000 -22.925000 11.531000 63 N A 2 "ASN " " C " 6 0 0 1 61.81 988 + 989 15 2.656000 -23.000000 12.609000 63 N A 2 "ASN " " O " 8 0 0 1 68.44 989 + 990 3 1.784000 -21.206000 10.354000 63 N A 2 "ASN " " CB " 6 0 0 1 60.33 990 + 991 2 1.575000 -19.776000 9.831000 63 N A 2 "ASN " " CG " 6 0 0 1 68.86 991 + 992 15 0.616000 -19.529000 9.104000 63 N A 2 "ASN " " OD1" 8 0 0 1 74.65 992 + 993 25 2.435000 -18.822000 10.198000 63 N A 2 "ASN " " ND2" 7 0 0 1 72.57 993 + 994 43 3.681000 -21.432000 8.726000 63 N A 2 "ASN " " H " 1 0 0 1 58.1 994 + 995 41 3.580000 -20.826000 11.506000 63 N A 2 "ASN " " HA " 1 0 0 1 60.63 995 + 996 41 1.103000 -21.318000 11.199000 63 N A 2 "ASN " " HB3" 1 0 0 1 60.33 996 + 997 41 1.440000 -21.909000 9.593000 63 N A 2 "ASN " " HB2" 1 0 0 1 60.33 997 + 998 43 2.299000 -17.876000 9.875000 63 N A 2 "ASN " "HD22" 1 0 0 1 72.57 998 + 999 43 3.214000 -19.038000 10.803000 63 N A 2 "ASN " "HD21" 1 0 0 1 72.57 999 + 1000 25 3.917000 -23.946000 10.975000 64 S A 2 "SER " " N " 7 0 0 1 62.09 1000 + 1001 3 4.135000 -25.249000 11.606000 64 S A 2 "SER " " CA " 6 0 0 1 60.92 1001 + 1002 2 5.561000 -25.419000 12.174000 64 S A 2 "SER " " C " 6 0 0 1 51.33 1002 + 1003 15 5.835000 -26.471000 12.754000 64 S A 2 "SER " " O " 8 0 0 1 55.98 1003 + 1004 3 3.803000 -26.356000 10.583000 64 S A 2 "SER " " CB " 6 0 0 1 58.26 1004 + 1005 16 2.402000 -26.510000 10.482000 64 S A 2 "SER " " OG " 8 0 0 1 77.09 1005 + 1006 43 4.364000 -23.811000 10.079000 64 S A 2 "SER " " H " 1 0 0 1 62.09 1006 + 1007 41 3.469000 -25.364000 12.463000 64 S A 2 "SER " " HA " 1 0 0 1 60.92 1007 + 1008 41 4.207000 -27.322000 10.889000 64 S A 2 "SER " " HB3" 1 0 0 1 58.26 1008 + 1009 41 4.223000 -26.136000 9.601000 64 S A 2 "SER " " HB2" 1 0 0 1 58.26 1009 + 1010 42 2.057000 -25.774000 9.969000 64 S A 2 "SER " " HG " 1 0 0 1 77.09 1010 + 1011 25 6.435000 -24.412000 12.003000 65 L A 2 "LEU " " N " 7 0 0 1 59.38 1011 + 1012 3 7.854000 -24.465000 12.370000 65 L A 2 "LEU " " CA " 6 0 0 1 62.67 1012 + 1013 2 8.289000 -23.332000 13.308000 65 L A 2 "LEU " " C " 6 0 0 1 65.96 1013 + 1014 15 9.361000 -23.443000 13.904000 65 L A 2 "LEU " " O " 8 0 0 1 71.11 1014 + 1015 3 8.695000 -24.394000 11.083000 65 L A 2 "LEU " " CB " 6 0 0 1 54.04 1015 + 1016 3 8.619000 -25.658000 10.213000 65 L A 2 "LEU " " CG " 6 0 0 1 49.38 1016 + 1017 3 9.248000 -25.377000 8.847000 65 L A 2 "LEU " " CD1" 6 0 0 1 58.12 1017 + 1018 3 9.273000 -26.867000 10.902000 65 L A 2 "LEU " " CD2" 6 0 0 1 56.73 1018 + 1019 43 6.138000 -23.579000 11.511000 65 L A 2 "LEU " " H " 1 0 0 1 59.38 1019 + 1020 41 8.077000 -25.389000 12.904000 65 L A 2 "LEU " " HA " 1 0 0 1 62.67 1020 + 1021 41 9.741000 -24.215000 11.328000 65 L A 2 "LEU " " HB3" 1 0 0 1 54.04 1021 + 1022 41 8.377000 -23.528000 10.499000 65 L A 2 "LEU " " HB2" 1 0 0 1 54.04 1022 + 1023 41 7.574000 -25.910000 10.035000 65 L A 2 "LEU " " HG " 1 0 0 1 49.38 1023 + 1024 41 9.490000 -26.293000 8.309000 65 L A 2 "LEU " "HD11" 1 0 0 1 58.12 1024 + 1025 41 8.567000 -24.805000 8.226000 65 L A 2 "LEU " "HD12" 1 0 0 1 58.12 1025 + 1026 41 10.150000 -24.778000 8.952000 65 L A 2 "LEU " "HD13" 1 0 0 1 58.12 1026 + 1027 41 10.087000 -27.273000 10.304000 65 L A 2 "LEU " "HD21" 1 0 0 1 56.73 1027 + 1028 41 9.703000 -26.618000 11.872000 65 L A 2 "LEU " "HD22" 1 0 0 1 56.73 1028 + 1029 41 8.542000 -27.659000 11.061000 65 L A 2 "LEU " "HD23" 1 0 0 1 56.73 1029 + 1030 25 7.481000 -22.271000 13.424000 66 T A 2 "THR " " N " 7 0 0 1 58.9 1030 + 1031 3 7.788000 -21.129000 14.272000 66 T A 2 "THR " " CA " 6 0 0 1 66.12 1031 + 1032 2 6.495000 -20.425000 14.706000 66 T A 2 "THR " " C " 6 0 0 1 70.48 1032 + 1033 15 5.463000 -20.525000 14.038000 66 T A 2 "THR " " O " 8 0 0 1 68.84 1033 + 1034 3 8.763000 -20.129000 13.572000 66 T A 2 "THR " " CB " 6 0 0 1 66.05 1034 + 1035 16 9.189000 -19.111000 14.457000 66 T A 2 "THR " " OG1" 8 0 0 1 61.59 1035 + 1036 3 8.206000 -19.424000 12.321000 66 T A 2 "THR " " CG2" 6 0 0 1 61.41 1036 + 1037 43 6.618000 -22.218000 12.899000 66 T A 2 "THR " " H " 1 0 0 1 58.9 1037 + 1038 41 8.262000 -21.501000 15.183000 66 T A 2 "THR " " HA " 1 0 0 1 66.12 1038 + 1039 41 9.664000 -20.671000 13.281000 66 T A 2 "THR " " HB " 1 0 0 1 66.05 1039 + 1040 42 9.655000 -18.442000 13.950000 66 T A 2 "THR " " HG1" 1 0 0 1 61.59 1040 + 1041 41 8.928000 -18.712000 11.919000 66 T A 2 "THR " "HG21" 1 0 0 1 61.41 1041 + 1042 41 8.014000 -20.150000 11.533000 66 T A 2 "THR " "HG22" 1 0 0 1 61.41 1042 + 1043 41 7.283000 -18.880000 12.518000 66 T A 2 "THR " "HG23" 1 0 0 1 61.41 1043 + 1044 25 6.610000 -19.717000 15.833000 67 S A 2 "SER " " N " 7 0 0 1 78.41 1044 + 1045 3 5.601000 -18.835000 16.390000 67 S A 2 "SER " " CA " 6 0 0 1 81.01 1045 + 1046 2 6.315000 -17.607000 16.970000 67 S A 2 "SER " " C " 6 0 0 1 85.89 1046 + 1047 15 7.533000 -17.616000 17.164000 67 S A 2 "SER " " O " 8 0 0 1 88.19 1047 + 1048 3 4.779000 -19.616000 17.436000 67 S A 2 "SER " " CB " 6 0 0 1 78.47 1048 + 1049 16 3.741000 -18.840000 18.004000 67 S A 2 "SER " " OG " 8 0 0 1 76.75 1049 + 1050 43 7.509000 -19.675000 16.292000 67 S A 2 "SER " " H " 1 0 0 1 78.41 1050 + 1051 41 4.938000 -18.488000 15.595000 67 S A 2 "SER " " HA " 1 0 0 1 81.01 1051 + 1052 41 5.424000 -19.976000 18.238000 67 S A 2 "SER " " HB3" 1 0 0 1 78.47 1052 + 1053 41 4.328000 -20.493000 16.970000 67 S A 2 "SER " " HB2" 1 0 0 1 78.47 1053 + 1054 42 3.252000 -19.390000 18.621000 67 S A 2 "SER " " HG " 1 0 0 1 76.75 1054 + 1055 25 5.525000 -16.563000 17.238000 68 K A 2 "LYS " " N " 7 0 0 1 89.53 1055 + 1056 3 5.974000 -15.336000 17.894000 68 K A 2 "LYS " " CA " 6 0 0 1 87.17 1056 + 1057 2 6.096000 -15.541000 19.416000 68 K A 2 "LYS " " C " 6 0 0 1 87.61 1057 + 1058 15 6.941000 -14.901000 20.038000 68 K A 2 "LYS " " O " 8 0 0 1 92.45 1058 + 1059 3 5.004000 -14.191000 17.532000 68 K A 2 "LYS " " CB " 6 0 0 1 87 1059 + 1060 3 4.717000 -14.137000 16.017000 68 K A 2 "LYS " " CG " 6 0 0 1 98.84 1060 + 1061 3 4.015000 -12.864000 15.539000 68 K A 2 "LYS " " CD " 6 0 0 1 108.4 1061 + 1062 3 3.628000 -12.974000 14.057000 68 K A 2 "LYS " " CE " 6 0 0 1 111.02 1062 + 1063 32 3.125000 -11.696000 13.531000 68 K A 2 "LYS " " NZ " 7 1 0 1 111.13 1063 + 1064 43 4.533000 -16.638000 17.062000 68 K A 2 "LYS " " H " 1 0 0 1 89.53 1064 + 1065 41 6.964000 -15.073000 17.514000 68 K A 2 "LYS " " HA " 1 0 0 1 87.17 1065 + 1066 41 5.428000 -13.245000 17.871000 68 K A 2 "LYS " " HB3" 1 0 0 1 87 1066 + 1067 41 4.058000 -14.312000 18.061000 68 K A 2 "LYS " " HB2" 1 0 0 1 87 1067 + 1068 41 4.098000 -14.990000 15.738000 68 K A 2 "LYS " " HG3" 1 0 0 1 98.84 1068 + 1069 41 5.654000 -14.250000 15.470000 68 K A 2 "LYS " " HG2" 1 0 0 1 98.84 1069 + 1070 41 4.678000 -12.010000 15.690000 68 K A 2 "LYS " " HD3" 1 0 0 1 108.4 1070 + 1071 41 3.128000 -12.680000 16.146000 68 K A 2 "LYS " " HD2" 1 0 0 1 108.4 1071 + 1072 41 2.865000 -13.742000 13.920000 68 K A 2 "LYS " " HE3" 1 0 0 1 111.02 1072 + 1073 41 4.492000 -13.268000 13.460000 68 K A 2 "LYS " " HE2" 1 0 0 1 111.02 1073 + 1074 44 3.843000 -10.990000 13.614000 68 K A 2 "LYS " " HZ1" 1 0 0 1 111.13 1074 + 1075 44 2.871000 -11.803000 12.559000 68 K A 2 "LYS " " HZ2" 1 0 0 1 111.13 1075 + 1076 44 2.313000 -11.410000 14.059000 68 K A 2 "LYS " " HZ3" 1 0 0 1 111.13 1076 + 1077 25 5.288000 -16.473000 19.957000 69 D A 2 "ASP " " N " 7 0 0 1 85.46 1077 + 1078 3 5.336000 -17.003000 21.318000 69 D A 2 "ASP " " CA " 6 0 0 1 87.55 1078 + 1079 2 6.534000 -17.981000 21.413000 69 D A 2 "ASP " " C " 6 0 0 1 89.54 1079 + 1080 15 6.495000 -19.007000 20.731000 69 D A 2 "ASP " " O " 8 0 0 1 99.61 1080 + 1081 3 3.987000 -17.710000 21.615000 69 D A 2 "ASP " " CB " 6 0 0 1 90.36 1081 + 1082 2 3.800000 -18.269000 23.034000 69 D A 2 "ASP " " CG " 6 0 0 1 93.17 1082 + 1083 15 4.795000 -18.387000 23.782000 69 D A 2 "ASP " " OD1" 8 0 0 1 92.94 1083 + 1084 18 2.639000 -18.622000 23.331000 69 D A 2 "ASP " " OD2" 8 -1 0 1 89.89 1084 + 1085 43 4.643000 -16.951000 19.344000 69 D A 2 "ASP " " H " 1 0 0 1 85.46 1085 + 1086 41 5.411000 -16.165000 22.008000 69 D A 2 "ASP " " HA " 1 0 0 1 87.55 1086 + 1087 41 3.838000 -18.526000 20.909000 69 D A 2 "ASP " " HB3" 1 0 0 1 90.36 1087 + 1088 41 3.188000 -16.987000 21.447000 69 D A 2 "ASP " " HB2" 1 0 0 1 90.36 1088 + 1089 25 7.561000 -17.669000 22.245000 70 P A 2 "PRO " " N " 7 0 0 1 85.18 1089 + 1090 3 8.729000 -18.551000 22.460000 70 P A 2 "PRO " " CA " 6 0 0 1 81.67 1090 + 1091 2 8.439000 -19.996000 22.909000 70 P A 2 "PRO " " C " 6 0 0 1 82.07 1091 + 1092 15 9.166000 -20.895000 22.483000 70 P A 2 "PRO " " O " 8 0 0 1 74.97 1092 + 1093 3 9.575000 -17.809000 23.509000 70 P A 2 "PRO " " CB " 6 0 0 1 85.55 1093 + 1094 3 9.200000 -16.351000 23.333000 70 P A 2 "PRO " " CG " 6 0 0 1 92.68 1094 + 1095 3 7.717000 -16.425000 23.004000 70 P A 2 "PRO " " CD " 6 0 0 1 88.22 1095 + 1096 41 9.279000 -18.576000 21.518000 70 P A 2 "PRO " " HA " 1 0 0 1 81.67 1096 + 1097 41 10.644000 -17.978000 23.383000 70 P A 2 "PRO " " HB3" 1 0 0 1 85.55 1097 + 1098 41 9.308000 -18.127000 24.519000 70 P A 2 "PRO " " HB2" 1 0 0 1 85.55 1098 + 1099 41 9.741000 -15.937000 22.480000 70 P A 2 "PRO " " HG3" 1 0 0 1 92.68 1099 + 1100 41 9.420000 -15.734000 24.205000 70 P A 2 "PRO " " HG2" 1 0 0 1 92.68 1100 + 1101 41 7.120000 -16.494000 23.914000 70 P A 2 "PRO " " HD2" 1 0 0 1 88.22 1101 + 1102 41 7.419000 -15.528000 22.465000 70 P A 2 "PRO " " HD3" 1 0 0 1 88.22 1102 + 1103 25 7.393000 -20.200000 23.732000 71 D A 2 "ASP " " N " 7 0 0 1 84.59 1103 + 1104 3 6.974000 -21.524000 24.211000 71 D A 2 "ASP " " CA " 6 0 0 1 89.23 1104 + 1105 2 6.400000 -22.401000 23.089000 71 D A 2 "ASP " " C " 6 0 0 1 87.36 1105 + 1106 15 6.767000 -23.572000 23.009000 71 D A 2 "ASP " " O " 8 0 0 1 85.79 1106 + 1107 3 6.006000 -21.489000 25.420000 71 D A 2 "ASP " " CB " 6 0 0 1 100.13 1107 + 1108 2 6.515000 -20.723000 26.648000 71 D A 2 "ASP " " CG " 6 0 0 1 108 1108 + 1109 15 7.740000 -20.487000 26.737000 71 D A 2 "ASP " " OD1" 8 0 0 1 104.75 1109 + 1110 18 5.668000 -20.465000 27.531000 71 D A 2 "ASP " " OD2" 8 -1 0 1 118.07 1110 + 1111 43 6.826000 -19.419000 24.035000 71 D A 2 "ASP " " H " 1 0 0 1 84.59 1111 + 1112 41 7.881000 -22.028000 24.554000 71 D A 2 "ASP " " HA " 1 0 0 1 89.23 1112 + 1113 41 5.781000 -22.509000 25.733000 71 D A 2 "ASP " " HB3" 1 0 0 1 100.13 1113 + 1114 41 5.073000 -21.023000 25.100000 71 D A 2 "ASP " " HB2" 1 0 0 1 100.13 1114 + 1115 25 5.549000 -21.819000 22.224000 72 I A 2 "ILE " " N " 7 0 1 1 83.15 1115 + 1116 3 4.993000 -22.499000 21.049000 72 I A 2 "ILE " " CA " 6 0 1 1 73.62 1116 + 1117 2 6.057000 -22.728000 19.955000 72 I A 2 "ILE " " C " 6 0 1 1 69.11 1117 + 1118 15 6.027000 -23.777000 19.314000 72 I A 2 "ILE " " O " 8 0 1 1 69.38 1118 + 1119 3 3.787000 -21.731000 20.430000 72 I A 2 "ILE " " CB " 6 0 1 1 73.09 1119 + 1120 3 2.630000 -21.612000 21.447000 72 I A 2 "ILE " " CG1" 6 0 1 1 71.51 1120 + 1121 3 3.254000 -22.351000 19.116000 72 I A 2 "ILE " " CG2" 6 0 1 1 75.41 1121 + 1122 3 1.480000 -20.706000 20.982000 72 I A 2 "ILE " " CD1" 6 0 1 1 62.84 1122 + 1123 43 5.293000 -20.849000 22.353000 72 I A 2 "ILE " " H " 1 0 1 1 83.15 1123 + 1124 41 4.633000 -23.477000 21.373000 72 I A 2 "ILE " " HA " 1 0 1 1 73.62 1124 + 1125 41 4.127000 -20.721000 20.204000 72 I A 2 "ILE " " HB " 1 0 1 1 73.09 1125 + 1126 41 2.998000 -21.231000 22.399000 72 I A 2 "ILE " "HG13" 1 0 1 1 71.51 1126 + 1127 41 2.236000 -22.606000 21.663000 72 I A 2 "ILE " "HG12" 1 0 1 1 71.51 1127 + 1128 41 2.406000 -21.796000 18.717000 72 I A 2 "ILE " "HG21" 1 0 1 1 75.41 1128 + 1129 41 3.997000 -22.362000 18.322000 72 I A 2 "ILE " "HG22" 1 0 1 1 75.41 1129 + 1130 41 2.927000 -23.379000 19.275000 72 I A 2 "ILE " "HG23" 1 0 1 1 75.41 1130 + 1131 41 0.948000 -20.288000 21.837000 72 I A 2 "ILE " "HD11" 1 0 1 1 62.84 1131 + 1132 41 1.839000 -19.870000 20.382000 72 I A 2 "ILE " "HD12" 1 0 1 1 62.84 1132 + 1133 41 0.755000 -21.262000 20.387000 72 I A 2 "ILE " "HD13" 1 0 1 1 62.84 1133 + 1134 25 6.986000 -21.768000 19.779000 73 K A 2 "LYS " " N " 7 0 1 1 60.21 1134 + 1135 3 8.113000 -21.865000 18.848000 73 K A 2 "LYS " " CA " 6 0 1 1 58.84 1135 + 1136 2 9.002000 -23.079000 19.154000 73 K A 2 "LYS " " C " 6 0 1 1 60.5 1136 + 1137 15 9.269000 -23.858000 18.243000 73 K A 2 "LYS " " O " 8 0 1 1 53.99 1137 + 1138 3 8.906000 -20.539000 18.827000 73 K A 2 "LYS " " CB " 6 0 1 1 63.39 1138 + 1139 3 10.134000 -20.538000 17.892000 73 K A 2 "LYS " " CG " 6 0 1 1 52.53 1139 + 1140 3 10.832000 -19.172000 17.813000 73 K A 2 "LYS " " CD " 6 0 1 1 59.53 1140 + 1141 3 12.097000 -19.212000 16.942000 73 K A 2 "LYS " " CE " 6 0 1 1 73.76 1141 + 1142 32 12.756000 -17.896000 16.873000 73 K A 2 "LYS " " NZ " 7 1 1 1 74.98 1142 + 1143 43 6.937000 -20.923000 20.333000 73 K A 2 "LYS " " H " 1 0 1 1 60.21 1143 + 1144 41 7.688000 -22.011000 17.852000 73 K A 2 "LYS " " HA " 1 0 1 1 58.84 1144 + 1145 41 9.236000 -20.296000 19.836000 73 K A 2 "LYS " " HB3" 1 0 1 1 63.39 1145 + 1146 41 8.231000 -19.737000 18.532000 73 K A 2 "LYS " " HB2" 1 0 1 1 63.39 1146 + 1147 41 9.831000 -20.849000 16.892000 73 K A 2 "LYS " " HG3" 1 0 1 1 52.53 1147 + 1148 41 10.860000 -21.275000 18.234000 73 K A 2 "LYS " " HG2" 1 0 1 1 52.53 1148 + 1149 41 11.086000 -18.836000 18.819000 73 K A 2 "LYS " " HD3" 1 0 1 1 59.53 1149 + 1150 41 10.136000 -18.436000 17.410000 73 K A 2 "LYS " " HD2" 1 0 1 1 59.53 1150 + 1151 41 11.851000 -19.537000 15.929000 73 K A 2 "LYS " " HE3" 1 0 1 1 73.76 1151 + 1152 41 12.809000 -19.930000 17.349000 73 K A 2 "LYS " " HE2" 1 0 1 1 73.76 1152 + 1153 44 13.585000 -17.956000 16.297000 73 K A 2 "LYS " " HZ1" 1 0 1 1 74.98 1153 + 1154 44 12.121000 -17.220000 16.473000 73 K A 2 "LYS " " HZ2" 1 0 1 1 74.98 1154 + 1155 44 13.018000 -17.600000 17.802000 73 K A 2 "LYS " " HZ3" 1 0 1 1 74.98 1155 + 1156 25 9.377000 -23.246000 20.435000 74 A A 2 "ALA " " N " 7 0 1 1 66.06 1156 + 1157 3 10.115000 -24.403000 20.939000 74 A A 2 "ALA " " CA " 6 0 1 1 63.03 1157 + 1158 2 9.370000 -25.731000 20.726000 74 A A 2 "ALA " " C " 6 0 1 1 67.26 1158 + 1159 15 9.990000 -26.668000 20.231000 74 A A 2 "ALA " " O " 8 0 1 1 70.81 1159 + 1160 3 10.463000 -24.189000 22.419000 74 A A 2 "ALA " " CB " 6 0 1 1 58.12 1160 + 1161 43 9.108000 -22.557000 21.126000 74 A A 2 "ALA " " H " 1 0 1 1 66.06 1161 + 1162 41 11.053000 -24.455000 20.380000 74 A A 2 "ALA " " HA " 1 0 1 1 63.03 1162 + 1163 41 11.029000 -25.031000 22.819000 74 A A 2 "ALA " " HB1" 1 0 1 1 58.12 1163 + 1164 41 11.071000 -23.294000 22.551000 74 A A 2 "ALA " " HB2" 1 0 1 1 58.12 1164 + 1165 41 9.566000 -24.070000 23.029000 74 A A 2 "ALA " " HB3" 1 0 1 1 58.12 1165 + 1166 25 8.058000 -25.775000 21.033000 75 Q A 2 "GLN " " N " 7 0 1 1 67.27 1166 + 1167 3 7.185000 -26.932000 20.786000 75 Q A 2 "GLN " " CA " 6 0 1 1 71.59 1167 + 1168 2 7.152000 -27.390000 19.319000 75 Q A 2 "GLN " " C " 6 0 1 1 74.65 1168 + 1169 15 7.256000 -28.589000 19.076000 75 Q A 2 "GLN " " O " 8 0 1 1 81.22 1169 + 1170 3 5.747000 -26.654000 21.265000 75 Q A 2 "GLN " " CB " 6 0 1 1 76.92 1170 + 1171 3 5.558000 -26.691000 22.789000 75 Q A 2 "GLN " " CG " 6 0 1 1 95.74 1171 + 1172 2 4.135000 -26.277000 23.170000 75 Q A 2 "GLN " " CD " 6 0 1 1 106.15 1172 + 1173 15 3.164000 -26.817000 22.642000 75 Q A 2 "GLN " " OE1" 8 0 1 1 107.49 1173 + 1174 25 4.002000 -25.324000 24.094000 75 Q A 2 "GLN " " NE2" 7 0 1 1 107.93 1174 + 1175 43 7.615000 -24.959000 21.434000 75 Q A 2 "GLN " " H " 1 0 1 1 67.27 1175 + 1176 41 7.584000 -27.762000 21.372000 75 Q A 2 "GLN " " HA " 1 0 1 1 71.59 1176 + 1177 41 5.070000 -27.390000 20.826000 75 Q A 2 "GLN " " HB3" 1 0 1 1 76.92 1177 + 1178 41 5.416000 -25.691000 20.881000 75 Q A 2 "GLN " " HB2" 1 0 1 1 76.92 1178 + 1179 41 6.284000 -26.047000 23.283000 75 Q A 2 "GLN " " HG3" 1 0 1 1 95.74 1179 + 1180 41 5.739000 -27.699000 23.163000 75 Q A 2 "GLN " " HG2" 1 0 1 1 95.74 1180 + 1181 43 3.083000 -25.020000 24.379000 75 Q A 2 "GLN " "HE22" 1 0 1 1 107.93 1181 + 1182 43 4.818000 -24.891000 24.502000 75 Q A 2 "GLN " "HE21" 1 0 1 1 107.93 1182 + 1183 25 7.029000 -26.435000 18.381000 76 Y A 2 "TYR " " N " 7 0 1 1 72.18 1183 + 1184 3 7.024000 -26.681000 16.937000 76 Y A 2 "TYR " " CA " 6 0 1 1 66.94 1184 + 1185 2 8.379000 -27.159000 16.402000 76 Y A 2 "TYR " " C " 6 0 1 1 65.25 1185 + 1186 15 8.393000 -28.040000 15.545000 76 Y A 2 "TYR " " O " 8 0 1 1 69.93 1186 + 1187 3 6.576000 -25.411000 16.187000 76 Y A 2 "TYR " " CB " 6 0 1 1 70.35 1187 + 1188 2 5.114000 -25.001000 16.288000 76 Y A 2 "TYR " " CG " 6 0 1 1 69.09 1188 + 1189 2 4.141000 -25.793000 16.943000 76 Y A 2 "TYR " " CD1" 6 0 1 1 58.06 1189 + 1190 2 4.720000 -23.795000 15.674000 76 Y A 2 "TYR " " CD2" 6 0 1 1 74.13 1190 + 1191 2 2.794000 -25.383000 16.970000 76 Y A 2 "TYR " " CE1" 6 0 1 1 61.79 1191 + 1192 2 3.375000 -23.383000 15.705000 76 Y A 2 "TYR " " CE2" 6 0 1 1 68.66 1192 + 1193 2 2.410000 -24.182000 16.347000 76 Y A 2 "TYR " " CZ " 6 0 1 1 64.84 1193 + 1194 16 1.104000 -23.789000 16.373000 76 Y A 2 "TYR " " OH " 8 0 1 1 72.11 1194 + 1195 43 6.928000 -25.470000 18.669000 76 Y A 2 "TYR " " H " 1 0 1 1 72.18 1195 + 1196 41 6.315000 -27.482000 16.728000 76 Y A 2 "TYR " " HA " 1 0 1 1 66.94 1196 + 1197 41 6.768000 -25.543000 15.122000 76 Y A 2 "TYR " " HB3" 1 0 1 1 70.35 1197 + 1198 41 7.193000 -24.564000 16.492000 76 Y A 2 "TYR " " HB2" 1 0 1 1 70.35 1198 + 1199 41 4.399000 -26.720000 17.430000 76 Y A 2 "TYR " " HD1" 1 0 1 1 58.06 1199 + 1200 41 5.451000 -23.184000 15.168000 76 Y A 2 "TYR " " HD2" 1 0 1 1 74.13 1200 + 1201 41 2.057000 -25.994000 17.469000 76 Y A 2 "TYR " " HE1" 1 0 1 1 61.79 1201 + 1202 41 3.091000 -22.455000 15.230000 76 Y A 2 "TYR " " HE2" 1 0 1 1 68.66 1202 + 1203 42 0.948000 -22.967000 15.903000 76 Y A 2 "TYR " " HH " 1 0 1 1 72.11 1203 + 1204 25 9.480000 -26.599000 16.928000 77 Q A 2 "GLN " " N " 7 0 1 1 57.55 1204 + 1205 3 10.847000 -27.010000 16.610000 77 Q A 2 "GLN " " CA " 6 0 1 1 59.66 1205 + 1206 2 11.174000 -28.430000 17.103000 77 Q A 2 "GLN " " C " 6 0 1 1 64.42 1206 + 1207 15 11.820000 -29.173000 16.369000 77 Q A 2 "GLN " " O " 8 0 1 1 61.88 1207 + 1208 3 11.840000 -25.977000 17.168000 77 Q A 2 "GLN " " CB " 6 0 1 1 44.83 1208 + 1209 3 11.802000 -24.641000 16.403000 77 Q A 2 "GLN " " CG " 6 0 1 1 58.59 1209 + 1210 2 12.678000 -23.558000 17.031000 77 Q A 2 "GLN " " CD " 6 0 1 1 64.23 1210 + 1211 15 13.067000 -23.634000 18.194000 77 Q A 2 "GLN " " OE1" 8 0 1 1 69.06 1211 + 1212 25 12.976000 -22.520000 16.252000 77 Q A 2 "GLN " " NE2" 7 0 1 1 74.06 1212 + 1213 43 9.386000 -25.862000 17.615000 77 Q A 2 "GLN " " H " 1 0 1 1 57.55 1213 + 1214 41 10.946000 -27.019000 15.523000 77 Q A 2 "GLN " " HA " 1 0 1 1 59.66 1214 + 1215 41 12.856000 -26.375000 17.123000 77 Q A 2 "GLN " " HB3" 1 0 1 1 44.83 1215 + 1216 41 11.625000 -25.813000 18.225000 77 Q A 2 "GLN " " HB2" 1 0 1 1 44.83 1216 + 1217 41 10.786000 -24.258000 16.330000 77 Q A 2 "GLN " " HG3" 1 0 1 1 58.59 1217 + 1218 41 12.124000 -24.797000 15.375000 77 Q A 2 "GLN " " HG2" 1 0 1 1 58.59 1218 + 1219 43 13.571000 -21.786000 16.605000 77 Q A 2 "GLN " "HE22" 1 0 1 1 74.06 1219 + 1220 43 12.633000 -22.479000 15.303000 77 Q A 2 "GLN " "HE21" 1 0 1 1 74.06 1220 + 1221 25 10.680000 -28.797000 18.299000 78 Q A 2 "GLN " " N " 7 0 1 1 61.31 1221 + 1222 3 10.777000 -30.150000 18.851000 78 Q A 2 "GLN " " CA " 6 0 1 1 68.58 1222 + 1223 2 9.894000 -31.163000 18.113000 78 Q A 2 "GLN " " C " 6 0 1 1 66.01 1223 + 1224 15 10.368000 -32.261000 17.826000 78 Q A 2 "GLN " " O " 8 0 1 1 66.36 1224 + 1225 3 10.454000 -30.142000 20.364000 78 Q A 2 "GLN " " CB " 6 0 1 1 69.82 1225 + 1226 3 11.507000 -29.455000 21.257000 78 Q A 2 "GLN " " CG " 6 0 1 1 78.51 1226 + 1227 2 12.920000 -30.005000 21.063000 78 Q A 2 "GLN " " CD " 6 0 1 1 90.47 1227 + 1228 15 13.164000 -31.189000 21.279000 78 Q A 2 "GLN " " OE1" 8 0 1 1 106.66 1228 + 1229 25 13.854000 -29.147000 20.647000 78 Q A 2 "GLN " " NE2" 7 0 1 1 91.43 1229 + 1230 43 10.176000 -28.120000 18.858000 78 Q A 2 "GLN " " H " 1 0 1 1 61.31 1230 + 1231 41 11.802000 -30.491000 18.700000 78 Q A 2 "GLN " " HA " 1 0 1 1 68.58 1231 + 1232 41 10.337000 -31.170000 20.712000 78 Q A 2 "GLN " " HB3" 1 0 1 1 69.82 1232 + 1233 41 9.486000 -29.667000 20.530000 78 Q A 2 "GLN " " HB2" 1 0 1 1 69.82 1233 + 1234 41 11.231000 -29.572000 22.305000 78 Q A 2 "GLN " " HG3" 1 0 1 1 78.51 1234 + 1235 41 11.523000 -28.384000 21.068000 78 Q A 2 "GLN " " HG2" 1 0 1 1 78.51 1235 + 1236 43 14.801000 -29.464000 20.505000 78 Q A 2 "GLN " "HE22" 1 0 1 1 91.43 1236 + 1237 43 13.622000 -28.179000 20.473000 78 Q A 2 "GLN " "HE21" 1 0 1 1 91.43 1237 + 1238 25 8.651000 -30.762000 17.789000 79 R A 2 "ARG " " N " 7 0 1 1 59.01 1238 + 1239 3 7.701000 -31.537000 16.990000 79 R A 2 "ARG " " CA " 6 0 1 1 59.83 1239 + 1240 2 8.253000 -31.851000 15.594000 79 R A 2 "ARG " " C " 6 0 1 1 61.26 1240 + 1241 15 8.118000 -32.992000 15.163000 79 R A 2 "ARG " " O " 8 0 1 1 55.78 1241 + 1242 3 6.348000 -30.798000 16.930000 79 R A 2 "ARG " " CB " 6 0 1 1 48.66 1242 + 1243 3 5.246000 -31.518000 16.126000 79 R A 2 "ARG " " CG " 6 0 1 1 43.27 1243 + 1244 3 3.946000 -30.710000 16.032000 79 R A 2 "ARG " " CD " 6 0 1 1 47.28 1244 + 1245 25 4.099000 -29.538000 15.157000 79 R A 2 "ARG " " NE " 7 0 1 1 49.3 1245 + 1246 2 3.096000 -28.781000 14.683000 79 R A 2 "ARG " " CZ " 6 0 1 1 56.62 1246 + 1247 25 1.815000 -29.057000 14.968000 79 R A 2 "ARG " " NH1" 7 0 1 1 57.89 1247 + 1248 31 3.378000 -27.732000 13.904000 79 R A 2 "ARG " " NH2" 7 1 1 1 61.51 1248 + 1249 43 8.333000 -29.850000 18.090000 79 R A 2 "ARG " " H " 1 0 1 1 59.01 1249 + 1250 41 7.545000 -32.484000 17.510000 79 R A 2 "ARG " " HA " 1 0 1 1 59.83 1250 + 1251 41 6.504000 -29.805000 16.511000 79 R A 2 "ARG " " HB3" 1 0 1 1 48.66 1251 + 1252 41 5.986000 -30.646000 17.947000 79 R A 2 "ARG " " HB2" 1 0 1 1 48.66 1252 + 1253 41 5.049000 -32.521000 16.507000 79 R A 2 "ARG " " HG3" 1 0 1 1 43.27 1253 + 1254 41 5.607000 -31.654000 15.107000 79 R A 2 "ARG " " HG2" 1 0 1 1 43.27 1254 + 1255 41 3.695000 -30.304000 17.013000 79 R A 2 "ARG " " HD3" 1 0 1 1 47.28 1255 + 1256 41 3.117000 -31.355000 15.738000 79 R A 2 "ARG " " HD2" 1 0 1 1 47.28 1256 + 1257 43 5.048000 -29.274000 14.932000 79 R A 2 "ARG " " HE " 1 0 1 1 49.3 1257 + 1258 43 1.069000 -28.489000 14.593000 79 R A 2 "ARG " "HH12" 1 0 1 1 57.89 1258 + 1259 43 1.586000 -29.854000 15.543000 79 R A 2 "ARG " "HH11" 1 0 1 1 57.89 1259 + 1260 44 2.634000 -27.160000 13.530000 79 R A 2 "ARG " "HH22" 1 0 1 1 61.51 1260 + 1261 44 4.337000 -27.502000 13.672000 79 R A 2 "ARG " "HH21" 1 0 1 1 61.51 1261 + 1262 25 8.904000 -30.857000 14.960000 80 W A 2 "TRP " " N " 7 0 1 1 57.65 1262 + 1263 3 9.659000 -31.004000 13.720000 80 W A 2 "TRP " " CA " 6 0 1 1 53.39 1263 + 1264 2 10.791000 -32.030000 13.850000 80 W A 2 "TRP " " C " 6 0 1 1 53.85 1264 + 1265 15 10.731000 -33.036000 13.155000 80 W A 2 "TRP " " O " 8 0 1 1 64.21 1265 + 1266 3 10.142000 -29.635000 13.199000 80 W A 2 "TRP " " CB " 6 0 1 1 39.42 1266 + 1267 2 11.106000 -29.676000 12.046000 80 W A 2 "TRP " " CG " 6 0 1 1 40.63 1267 + 1268 2 12.450000 -29.624000 12.172000 80 W A 2 "TRP " " CD1" 6 0 1 1 38.62 1268 + 1269 2 10.846000 -29.893000 10.622000 80 W A 2 "TRP " " CD2" 6 0 1 1 45.47 1269 + 1270 25 13.032000 -29.776000 10.936000 80 W A 2 "TRP " " NE1" 7 0 1 1 48.33 1270 + 1271 2 12.098000 -29.933000 9.940000 80 W A 2 "TRP " " CE2" 6 0 1 1 51.89 1271 + 1272 2 9.687000 -30.064000 9.827000 80 W A 2 "TRP " " CE3" 6 0 1 1 45.35 1272 + 1273 2 12.203000 -30.125000 8.553000 80 W A 2 "TRP " " CZ2" 6 0 1 1 44.57 1273 + 1274 2 9.776000 -30.233000 8.429000 80 W A 2 "TRP " " CZ3" 6 0 1 1 52.54 1274 + 1275 2 11.032000 -30.267000 7.793000 80 W A 2 "TRP " " CH2" 6 0 1 1 46.1 1275 + 1276 43 8.943000 -29.943000 15.391000 80 W A 2 "TRP " " H " 1 0 1 1 57.65 1276 + 1277 41 8.972000 -31.397000 12.971000 80 W A 2 "TRP " " HA " 1 0 1 1 53.39 1277 + 1278 41 10.621000 -29.079000 14.004000 80 W A 2 "TRP " " HB3" 1 0 1 1 39.42 1278 + 1279 41 9.278000 -29.040000 12.903000 80 W A 2 "TRP " " HB2" 1 0 1 1 39.42 1279 + 1280 41 12.975000 -29.514000 13.110000 80 W A 2 "TRP " " HD1" 1 0 1 1 38.62 1280 + 1281 43 14.035000 -29.839000 10.797000 80 W A 2 "TRP " " HE1" 1 0 1 1 48.33 1281 + 1282 41 8.718000 -30.047000 10.303000 80 W A 2 "TRP " " HE3" 1 0 1 1 45.35 1282 + 1283 41 13.172000 -30.167000 8.077000 80 W A 2 "TRP " " HZ2" 1 0 1 1 44.57 1283 + 1284 41 8.880000 -30.345000 7.838000 80 W A 2 "TRP " " HZ3" 1 0 1 1 52.54 1284 + 1285 41 11.105000 -30.411000 6.728000 80 W A 2 "TRP " " HH2" 1 0 1 1 46.1 1285 + 1286 25 11.762000 -31.797000 14.752000 81 L A 2 "LEU " " N " 7 0 1 1 59.15 1286 + 1287 3 12.924000 -32.674000 14.977000 81 L A 2 "LEU " " CA " 6 0 1 1 55.66 1287 + 1288 2 12.574000 -34.148000 15.280000 81 L A 2 "LEU " " C " 6 0 1 1 55.24 1288 + 1289 15 13.373000 -35.025000 14.950000 81 L A 2 "LEU " " O " 8 0 1 1 56.72 1289 + 1290 3 13.806000 -32.084000 16.102000 81 L A 2 "LEU " " CB " 6 0 1 1 51.63 1290 + 1291 3 14.591000 -30.815000 15.700000 81 L A 2 "LEU " " CG " 6 0 1 1 50.7 1291 + 1292 3 15.263000 -30.160000 16.926000 81 L A 2 "LEU " " CD1" 6 0 1 1 53.32 1292 + 1293 3 15.588000 -31.093000 14.562000 81 L A 2 "LEU " " CD2" 6 0 1 1 45.06 1293 + 1294 43 11.728000 -30.956000 15.313000 81 L A 2 "LEU " " H " 1 0 1 1 59.15 1294 + 1295 41 13.490000 -32.689000 14.044000 81 L A 2 "LEU " " HA " 1 0 1 1 55.66 1295 + 1296 41 14.525000 -32.831000 16.443000 81 L A 2 "LEU " " HB3" 1 0 1 1 51.63 1296 + 1297 41 13.174000 -31.869000 16.965000 81 L A 2 "LEU " " HB2" 1 0 1 1 51.63 1297 + 1298 41 13.885000 -30.086000 15.310000 81 L A 2 "LEU " " HG " 1 0 1 1 50.7 1298 + 1299 41 16.350000 -30.136000 16.847000 81 L A 2 "LEU " "HD11" 1 0 1 1 53.32 1299 + 1300 41 14.925000 -29.130000 17.043000 81 L A 2 "LEU " "HD12" 1 0 1 1 53.32 1300 + 1301 41 15.025000 -30.683000 17.852000 81 L A 2 "LEU " "HD13" 1 0 1 1 53.32 1301 + 1302 41 16.485000 -30.479000 14.631000 81 L A 2 "LEU " "HD21" 1 0 1 1 45.06 1302 + 1303 41 15.900000 -32.137000 14.537000 81 L A 2 "LEU " "HD22" 1 0 1 1 45.06 1303 + 1304 41 15.122000 -30.872000 13.602000 81 L A 2 "LEU " "HD23" 1 0 1 1 45.06 1304 + 1305 25 11.380000 -34.386000 15.848000 82 A A 2 "ALA " " N " 7 0 0 1 55.47 1305 + 1306 3 10.813000 -35.701000 16.139000 82 A A 2 "ALA " " CA " 6 0 0 1 58.24 1306 + 1307 2 10.113000 -36.392000 14.947000 82 A A 2 "ALA " " C " 6 0 0 1 65.46 1307 + 1308 15 9.812000 -37.579000 15.072000 82 A A 2 "ALA " " O " 8 0 0 1 66.91 1308 + 1309 3 9.848000 -35.552000 17.325000 82 A A 2 "ALA " " CB " 6 0 0 1 66.05 1309 + 1310 43 10.795000 -33.597000 16.092000 82 A A 2 "ALA " " H " 1 0 0 1 55.47 1310 + 1311 41 11.624000 -36.359000 16.455000 82 A A 2 "ALA " " HA " 1 0 0 1 58.24 1311 + 1312 41 9.418000 -36.511000 17.614000 82 A A 2 "ALA " " HB1" 1 0 0 1 66.05 1312 + 1313 41 10.362000 -35.151000 18.199000 82 A A 2 "ALA " " HB2" 1 0 0 1 66.05 1313 + 1314 41 9.024000 -34.877000 17.088000 82 A A 2 "ALA " " HB3" 1 0 0 1 66.05 1314 + 1315 25 9.881000 -35.691000 13.818000 83 I A 2 "ILE " " N " 7 0 0 1 71.27 1315 + 1316 3 9.411000 -36.285000 12.553000 83 I A 2 "ILE " " CA " 6 0 0 1 62.5 1316 + 1317 2 10.529000 -37.150000 11.933000 83 I A 2 "ILE " " C " 6 0 0 1 64.29 1317 + 1318 15 11.710000 -36.871000 12.162000 83 I A 2 "ILE " " O " 8 0 0 1 67.68 1318 + 1319 3 8.973000 -35.204000 11.498000 83 I A 2 "ILE " " CB " 6 0 0 1 55.65 1319 + 1320 3 7.799000 -34.346000 12.014000 83 I A 2 "ILE " " CG1" 6 0 0 1 57.47 1320 + 1321 3 8.581000 -35.751000 10.103000 83 I A 2 "ILE " " CG2" 6 0 0 1 52.06 1321 + 1322 3 7.549000 -33.064000 11.203000 83 I A 2 "ILE " " CD1" 6 0 0 1 52.3 1322 + 1323 43 10.142000 -34.714000 13.776000 83 I A 2 "ILE " " H " 1 0 0 1 71.27 1323 + 1324 41 8.555000 -36.926000 12.772000 83 I A 2 "ILE " " HA " 1 0 0 1 62.5 1324 + 1325 41 9.821000 -34.539000 11.340000 83 I A 2 "ILE " " HB " 1 0 0 1 55.65 1325 + 1326 41 7.977000 -34.064000 13.043000 83 I A 2 "ILE " "HG13" 1 0 0 1 57.47 1326 + 1327 41 6.889000 -34.946000 12.031000 83 I A 2 "ILE " "HG12" 1 0 0 1 57.47 1327 + 1328 41 8.199000 -34.968000 9.448000 83 I A 2 "ILE " "HG21" 1 0 0 1 52.06 1328 + 1329 41 9.427000 -36.176000 9.572000 83 I A 2 "ILE " "HG22" 1 0 0 1 52.06 1329 + 1330 41 7.809000 -36.517000 10.181000 83 I A 2 "ILE " "HG23" 1 0 0 1 52.06 1330 + 1331 41 7.090000 -32.294000 11.824000 83 I A 2 "ILE " "HD11" 1 0 0 1 52.3 1331 + 1332 41 8.475000 -32.655000 10.796000 83 I A 2 "ILE " "HD12" 1 0 0 1 52.3 1332 + 1333 41 6.871000 -33.255000 10.372000 83 I A 2 "ILE " "HD13" 1 0 0 1 52.3 1333 + 1334 25 10.125000 -38.159000 11.140000 84 D A 2 "ASP " " N " 7 0 0 1 62.2 1334 + 1335 3 10.973000 -39.007000 10.296000 84 D A 2 "ASP " " CA " 6 0 0 1 61.15 1335 + 1336 2 12.003000 -38.176000 9.498000 84 D A 2 "ASP " " C " 6 0 0 1 63.52 1336 + 1337 15 11.626000 -37.212000 8.831000 84 D A 2 "ASP " " O " 8 0 0 1 63.36 1337 + 1338 3 10.084000 -39.892000 9.385000 84 D A 2 "ASP " " CB " 6 0 0 1 68.93 1338 + 1339 2 10.832000 -40.861000 8.462000 84 D A 2 "ASP " " CG " 6 0 0 1 75.9 1339 + 1340 15 10.752000 -42.081000 8.716000 84 D A 2 "ASP " " OD1" 8 0 0 1 87.89 1340 + 1341 18 11.438000 -40.374000 7.485000 84 D A 2 "ASP " " OD2" 8 -1 0 1 90.96 1341 + 1342 43 9.134000 -38.315000 11.034000 84 D A 2 "ASP " " H " 1 0 0 1 62.2 1342 + 1343 41 11.518000 -39.666000 10.974000 84 D A 2 "ASP " " HA " 1 0 0 1 61.15 1343 + 1344 41 9.422000 -39.281000 8.770000 84 D A 2 "ASP " " HB3" 1 0 0 1 68.93 1344 + 1345 41 9.407000 -40.479000 10.006000 84 D A 2 "ASP " " HB2" 1 0 0 1 68.93 1345 + 1346 25 13.283000 -38.564000 9.605000 85 A A 2 "ALA " " N " 7 0 1 1 59.86 1346 + 1347 3 14.414000 -37.857000 9.002000 85 A A 2 "ALA " " CA " 6 0 1 1 60.09 1347 + 1348 2 14.369000 -37.778000 7.468000 85 A A 2 "ALA " " C " 6 0 1 1 65.92 1348 + 1349 15 14.821000 -36.774000 6.927000 85 A A 2 "ALA " " O " 8 0 1 1 79.35 1349 + 1350 3 15.722000 -38.508000 9.471000 85 A A 2 "ALA " " CB " 6 0 1 1 62.75 1350 + 1351 43 13.510000 -39.376000 10.160000 85 A A 2 "ALA " " H " 1 0 1 1 59.86 1351 + 1352 41 14.392000 -36.833000 9.379000 85 A A 2 "ALA " " HA " 1 0 1 1 60.09 1352 + 1353 41 16.591000 -37.987000 9.066000 85 A A 2 "ALA " " HB1" 1 0 1 1 62.75 1353 + 1354 41 15.806000 -38.480000 10.558000 85 A A 2 "ALA " " HB2" 1 0 1 1 62.75 1354 + 1355 41 15.784000 -39.552000 9.159000 85 A A 2 "ALA " " HB3" 1 0 1 1 62.75 1355 + 1356 25 13.803000 -38.805000 6.810000 86 N A 2 "ASN " " N " 7 0 1 1 60.22 1356 + 1357 3 13.624000 -38.880000 5.356000 86 N A 2 "ASN " " CA " 6 0 1 1 65.96 1357 + 1358 2 12.501000 -37.952000 4.871000 86 N A 2 "ASN " " C " 6 0 1 1 65.41 1358 + 1359 15 12.672000 -37.310000 3.838000 86 N A 2 "ASN " " O " 8 0 1 1 71.95 1359 + 1360 3 13.325000 -40.321000 4.871000 86 N A 2 "ASN " " CB " 6 0 1 1 77.02 1360 + 1361 2 14.242000 -41.390000 5.471000 86 N A 2 "ASN " " CG " 6 0 1 1 82.18 1361 + 1362 15 15.398000 -41.518000 5.077000 86 N A 2 "ASN " " OD1" 8 0 1 1 85.13 1362 + 1363 25 13.724000 -42.161000 6.429000 86 N A 2 "ASN " " ND2" 7 0 1 1 81.51 1363 + 1364 43 13.387000 -39.562000 7.338000 86 N A 2 "ASN " " H " 1 0 1 1 60.22 1364 + 1365 41 14.532000 -38.537000 4.856000 86 N A 2 "ASN " " HA " 1 0 1 1 65.96 1365 + 1366 41 13.410000 -40.366000 3.785000 86 N A 2 "ASN " " HB3" 1 0 1 1 77.02 1366 + 1367 41 12.293000 -40.595000 5.091000 86 N A 2 "ASN " " HB2" 1 0 1 1 77.02 1367 + 1368 43 14.275000 -42.891000 6.854000 86 N A 2 "ASN " "HD22" 1 0 1 1 81.51 1368 + 1369 43 12.775000 -42.003000 6.752000 86 N A 2 "ASN " "HD21" 1 0 1 1 81.51 1369 + 1370 25 11.392000 -37.875000 5.633000 87 A A 2 "ALA " " N " 7 0 1 1 54 1370 + 1371 3 10.278000 -36.955000 5.384000 87 A A 2 "ALA " " CA " 6 0 1 1 44.34 1371 + 1372 2 10.690000 -35.481000 5.532000 87 A A 2 "ALA " " C " 6 0 1 1 50.72 1372 + 1373 15 10.259000 -34.657000 4.729000 87 A A 2 "ALA " " O " 8 0 1 1 43.46 1373 + 1374 3 9.105000 -37.296000 6.316000 87 A A 2 "ALA " " CB " 6 0 1 1 37.7 1374 + 1375 43 11.317000 -38.463000 6.453000 87 A A 2 "ALA " " H " 1 0 1 1 54 1375 + 1376 41 9.944000 -37.108000 4.356000 87 A A 2 "ALA " " HA " 1 0 1 1 44.34 1376 + 1377 41 8.245000 -36.654000 6.118000 87 A A 2 "ALA " " HB1" 1 0 1 1 37.7 1377 + 1378 41 8.782000 -38.327000 6.175000 87 A A 2 "ALA " " HB2" 1 0 1 1 37.7 1378 + 1379 41 9.375000 -37.175000 7.365000 87 A A 2 "ALA " " HB3" 1 0 1 1 37.7 1379 + 1380 25 11.565000 -35.187000 6.510000 88 R A 2 "ARG " " N " 7 0 1 1 52.37 1380 + 1381 3 12.200000 -33.880000 6.674000 88 R A 2 "ARG " " CA " 6 0 1 1 48.63 1381 + 1382 2 13.249000 -33.569000 5.601000 88 R A 2 "ARG " " C " 6 0 1 1 51.54 1382 + 1383 15 13.395000 -32.400000 5.261000 88 R A 2 "ARG " " O " 8 0 1 1 59.41 1383 + 1384 3 12.842000 -33.774000 8.062000 88 R A 2 "ARG " " CB " 6 0 1 1 50.11 1384 + 1385 3 11.805000 -33.652000 9.179000 88 R A 2 "ARG " " CG " 6 0 1 1 61.16 1385 + 1386 3 12.453000 -33.259000 10.503000 88 R A 2 "ARG " " CD " 6 0 1 1 63.27 1386 + 1387 25 13.082000 -34.404000 11.178000 88 R A 2 "ARG " " NE " 7 0 1 1 61.47 1387 + 1388 2 14.396000 -34.647000 11.315000 88 R A 2 "ARG " " CZ " 6 0 1 1 67.54 1388 + 1389 25 15.335000 -33.829000 10.817000 88 R A 2 "ARG " " NH1" 7 0 1 1 73.31 1389 + 1390 31 14.779000 -35.738000 11.987000 88 R A 2 "ARG " " NH2" 7 1 1 1 63.45 1390 + 1391 43 11.862000 -35.917000 7.144000 88 R A 2 "ARG " " H " 1 0 1 1 52.37 1391 + 1392 41 11.421000 -33.118000 6.597000 88 R A 2 "ARG " " HA " 1 0 1 1 48.63 1392 + 1393 41 13.454000 -32.870000 8.083000 88 R A 2 "ARG " " HB3" 1 0 1 1 50.11 1393 + 1394 41 13.523000 -34.605000 8.250000 88 R A 2 "ARG " " HB2" 1 0 1 1 50.11 1394 + 1395 41 11.311000 -34.617000 9.283000 88 R A 2 "ARG " " HG3" 1 0 1 1 61.16 1395 + 1396 41 11.019000 -32.936000 8.939000 88 R A 2 "ARG " " HG2" 1 0 1 1 61.16 1396 + 1397 41 11.756000 -32.694000 11.104000 88 R A 2 "ARG " " HD3" 1 0 1 1 63.27 1397 + 1398 41 13.251000 -32.548000 10.308000 88 R A 2 "ARG " " HD2" 1 0 1 1 63.27 1398 + 1399 43 12.440000 -35.085000 11.567000 88 R A 2 "ARG " " HE " 1 0 1 1 61.47 1399 + 1400 43 16.310000 -34.005000 11.019000 88 R A 2 "ARG " "HH12" 1 0 1 1 73.31 1400 + 1401 43 15.080000 -32.957000 10.365000 88 R A 2 "ARG " "HH11" 1 0 1 1 73.31 1401 + 1402 44 15.759000 -35.920000 12.147000 88 R A 2 "ARG " "HH22" 1 0 1 1 63.45 1402 + 1403 44 14.082000 -36.349000 12.394000 88 R A 2 "ARG " "HH21" 1 0 1 1 63.45 1403 + 1404 25 13.949000 -34.595000 5.090000 89 R A 2 "ARG " " N " 7 0 1 1 51.28 1404 + 1405 3 14.923000 -34.476000 4.002000 89 R A 2 "ARG " " CA " 6 0 1 1 55.8 1405 + 1406 2 14.242000 -34.172000 2.662000 89 R A 2 "ARG " " C " 6 0 1 1 63.35 1406 + 1407 15 14.738000 -33.340000 1.907000 89 R A 2 "ARG " " O " 8 0 1 1 77.2 1407 + 1408 3 15.801000 -35.740000 3.965000 89 R A 2 "ARG " " CB " 6 0 1 1 63.03 1408 + 1409 3 17.096000 -35.607000 3.145000 89 R A 2 "ARG " " CG " 6 0 1 1 79.02 1409 + 1410 3 17.959000 -36.882000 3.152000 89 R A 2 "ARG " " CD " 6 0 1 1 94.44 1410 + 1411 25 18.193000 -37.403000 4.512000 89 R A 2 "ARG " " NE " 7 0 1 1 105.87 1411 + 1412 2 17.784000 -38.596000 4.980000 89 R A 2 "ARG " " CZ " 6 0 1 1 111.13 1412 + 1413 25 17.214000 -39.498000 4.172000 89 R A 2 "ARG " " NH1" 7 0 1 1 119.11 1413 + 1414 31 17.946000 -38.892000 6.276000 89 R A 2 "ARG " " NH2" 7 1 1 1 101.47 1414 + 1415 43 13.791000 -35.528000 5.444000 89 R A 2 "ARG " " H " 1 0 1 1 51.28 1415 + 1416 41 15.578000 -33.636000 4.208000 89 R A 2 "ARG " " HA " 1 0 1 1 55.8 1416 + 1417 41 15.228000 -36.601000 3.622000 89 R A 2 "ARG " " HB3" 1 0 1 1 63.03 1417 + 1418 41 16.099000 -35.954000 4.988000 89 R A 2 "ARG " " HB2" 1 0 1 1 63.03 1418 + 1419 41 17.685000 -34.734000 3.427000 89 R A 2 "ARG " " HG3" 1 0 1 1 79.02 1419 + 1420 41 16.784000 -35.440000 2.113000 89 R A 2 "ARG " " HG2" 1 0 1 1 79.02 1420 + 1421 41 18.959000 -36.570000 2.851000 89 R A 2 "ARG " " HD3" 1 0 1 1 94.44 1421 + 1422 41 17.656000 -37.617000 2.406000 89 R A 2 "ARG " " HD2" 1 0 1 1 94.44 1422 + 1423 43 18.659000 -36.771000 5.148000 89 R A 2 "ARG " " HE " 1 0 1 1 105.87 1423 + 1424 43 16.849000 -40.370000 4.538000 89 R A 2 "ARG " "HH12" 1 0 1 1 119.11 1424 + 1425 43 17.097000 -39.294000 3.190000 89 R A 2 "ARG " "HH11" 1 0 1 1 119.11 1425 + 1426 44 17.642000 -39.787000 6.634000 89 R A 2 "ARG " "HH22" 1 0 1 1 101.47 1426 + 1427 44 18.375000 -38.228000 6.903000 89 R A 2 "ARG " "HH21" 1 0 1 1 101.47 1427 + 1428 25 13.086000 -34.810000 2.439000 90 E A 2 "GLU " " N " 7 0 1 1 60.91 1428 + 1429 3 12.186000 -34.599000 1.315000 90 E A 2 "GLU " " CA " 6 0 1 1 62.17 1429 + 1430 2 11.603000 -33.172000 1.299000 90 E A 2 "GLU " " C " 6 0 1 1 64.22 1430 + 1431 15 11.675000 -32.519000 0.259000 90 E A 2 "GLU " " O " 8 0 1 1 63.66 1431 + 1432 3 11.137000 -35.727000 1.357000 90 E A 2 "GLU " " CB " 6 0 1 1 63.2 1432 + 1433 3 10.090000 -35.718000 0.236000 90 E A 2 "GLU " " CG " 6 0 1 1 88.52 1433 + 1434 2 9.234000 -36.985000 0.272000 90 E A 2 "GLU " " CD " 6 0 1 1 101.56 1434 + 1435 15 8.653000 -37.257000 1.345000 90 E A 2 "GLU " " OE1" 8 0 1 1 113.28 1435 + 1436 18 9.184000 -37.668000 -0.774000 90 E A 2 "GLU " " OE2" 8 -1 1 1 107.06 1436 + 1437 43 12.772000 -35.494000 3.117000 90 E A 2 "GLU " " H " 1 0 1 1 60.91 1437 + 1438 41 12.770000 -34.722000 0.401000 90 E A 2 "GLU " " HA " 1 0 1 1 62.17 1438 + 1439 41 10.624000 -35.704000 2.319000 90 E A 2 "GLU " " HB3" 1 0 1 1 63.2 1439 + 1440 41 11.663000 -36.683000 1.330000 90 E A 2 "GLU " " HB2" 1 0 1 1 63.2 1440 + 1441 41 10.584000 -35.641000 -0.734000 90 E A 2 "GLU " " HG3" 1 0 1 1 88.52 1441 + 1442 41 9.435000 -34.852000 0.335000 90 E A 2 "GLU " " HG2" 1 0 1 1 88.52 1442 + 1443 25 11.123000 -32.691000 2.463000 91 V A 2 "VAL " " N " 7 0 1 1 63.3 1443 + 1444 3 10.656000 -31.314000 2.667000 91 V A 2 "VAL " " CA " 6 0 1 1 58.99 1444 + 1445 2 11.769000 -30.266000 2.489000 91 V A 2 "VAL " " C " 6 0 1 1 56.16 1445 + 1446 15 11.542000 -29.286000 1.779000 91 V A 2 "VAL " " O " 8 0 1 1 54.19 1446 + 1447 3 9.990000 -31.117000 4.061000 91 V A 2 "VAL " " CB " 6 0 1 1 58.26 1447 + 1448 3 9.736000 -29.647000 4.477000 91 V A 2 "VAL " " CG1" 6 0 1 1 47.15 1448 + 1449 3 8.657000 -31.867000 4.128000 91 V A 2 "VAL " " CG2" 6 0 1 1 54.08 1449 + 1450 43 11.088000 -33.296000 3.272000 91 V A 2 "VAL " " H " 1 0 1 1 63.3 1450 + 1451 41 9.907000 -31.121000 1.899000 91 V A 2 "VAL " " HA " 1 0 1 1 58.99 1451 + 1452 41 10.644000 -31.568000 4.807000 91 V A 2 "VAL " " HB " 1 0 1 1 58.26 1452 + 1453 41 9.139000 -29.592000 5.388000 91 V A 2 "VAL " "HG11" 1 0 1 1 47.15 1453 + 1454 41 10.661000 -29.108000 4.678000 91 V A 2 "VAL " "HG12" 1 0 1 1 47.15 1454 + 1455 41 9.195000 -29.104000 3.702000 91 V A 2 "VAL " "HG13" 1 0 1 1 47.15 1455 + 1456 41 8.267000 -31.900000 5.145000 91 V A 2 "VAL " "HG21" 1 0 1 1 54.08 1456 + 1457 41 7.928000 -31.364000 3.500000 91 V A 2 "VAL " "HG22" 1 0 1 1 54.08 1457 + 1458 41 8.742000 -32.890000 3.773000 91 V A 2 "VAL " "HG23" 1 0 1 1 54.08 1458 + 1459 25 12.944000 -30.502000 3.106000 92 K A 2 "LYS " " N " 7 0 1 1 56.65 1459 + 1460 3 14.136000 -29.656000 2.982000 92 K A 2 "LYS " " CA " 6 0 1 1 48.68 1460 + 1461 2 14.600000 -29.459000 1.535000 92 K A 2 "LYS " " C " 6 0 1 1 52.48 1461 + 1462 15 14.981000 -28.342000 1.197000 92 K A 2 "LYS " " O " 8 0 1 1 55.85 1462 + 1463 3 15.298000 -30.200000 3.841000 92 K A 2 "LYS " " CB " 6 0 1 1 50.7 1463 + 1464 3 15.258000 -29.732000 5.304000 92 K A 2 "LYS " " CG " 6 0 1 1 49.71 1464 + 1465 3 16.461000 -30.217000 6.128000 92 K A 2 "LYS " " CD " 6 0 1 1 41.69 1465 + 1466 3 16.399000 -31.693000 6.532000 92 K A 2 "LYS " " CE " 6 0 1 1 39.52 1466 + 1467 32 17.640000 -32.123000 7.193000 92 K A 2 "LYS " " NZ " 7 1 1 1 39.44 1467 + 1468 43 13.043000 -31.323000 3.689000 92 K A 2 "LYS " " H " 1 0 1 1 56.65 1468 + 1469 41 13.856000 -28.672000 3.364000 92 K A 2 "LYS " " HA " 1 0 1 1 48.68 1469 + 1470 41 16.244000 -29.831000 3.438000 92 K A 2 "LYS " " HB3" 1 0 1 1 50.7 1470 + 1471 41 15.356000 -31.285000 3.761000 92 K A 2 "LYS " " HB2" 1 0 1 1 50.7 1471 + 1472 41 14.327000 -30.036000 5.781000 92 K A 2 "LYS " " HG3" 1 0 1 1 49.71 1472 + 1473 41 15.254000 -28.643000 5.315000 92 K A 2 "LYS " " HG2" 1 0 1 1 49.71 1473 + 1474 41 16.557000 -29.591000 7.015000 92 K A 2 "LYS " " HD3" 1 0 1 1 41.69 1474 + 1475 41 17.369000 -30.064000 5.549000 92 K A 2 "LYS " " HD2" 1 0 1 1 41.69 1475 + 1476 41 16.274000 -32.312000 5.655000 92 K A 2 "LYS " " HE3" 1 0 1 1 39.52 1476 + 1477 41 15.552000 -31.875000 7.193000 92 K A 2 "LYS " " HE2" 1 0 1 1 39.52 1477 + 1478 44 17.753000 -31.567000 8.039000 92 K A 2 "LYS " " HZ1" 1 0 1 1 39.44 1478 + 1479 44 17.583000 -33.098000 7.443000 92 K A 2 "LYS " " HZ2" 1 0 1 1 39.44 1479 + 1480 44 18.433000 -31.967000 6.588000 92 K A 2 "LYS " " HZ3" 1 0 1 1 39.44 1480 + 1481 25 14.532000 -30.520000 0.711000 93 N A 2 "ASN " " N " 7 0 1 1 54.31 1481 + 1482 3 14.883000 -30.472000 -0.708000 93 N A 2 "ASN " " CA " 6 0 1 1 64.28 1482 + 1483 2 13.875000 -29.671000 -1.536000 93 N A 2 "ASN " " C " 6 0 1 1 65.13 1483 + 1484 15 14.331000 -28.789000 -2.254000 93 N A 2 "ASN " " O " 8 0 1 1 66.88 1484 + 1485 3 15.090000 -31.897000 -1.263000 93 N A 2 "ASN " " CB " 6 0 1 1 72.93 1485 + 1486 2 16.503000 -32.425000 -0.996000 93 N A 2 "ASN " " CG " 6 0 1 1 86.26 1486 + 1487 15 17.483000 -31.811000 -1.412000 93 N A 2 "ASN " " OD1" 8 0 1 1 95.11 1487 + 1488 25 16.621000 -33.573000 -0.330000 93 N A 2 "ASN " " ND2" 7 0 1 1 88.13 1488 + 1489 43 14.210000 -31.410000 1.067000 93 N A 2 "ASN " " H " 1 0 1 1 54.31 1489 + 1490 41 15.840000 -29.946000 -0.724000 93 N A 2 "ASN " " HA " 1 0 1 1 64.28 1490 + 1491 41 14.992000 -31.884000 -2.350000 93 N A 2 "ASN " " HB3" 1 0 1 1 72.93 1491 + 1492 41 14.323000 -32.583000 -0.900000 93 N A 2 "ASN " " HB2" 1 0 1 1 72.93 1492 + 1493 43 17.536000 -33.959000 -0.151000 93 N A 2 "ASN " "HD22" 1 0 1 1 88.13 1493 + 1494 43 15.800000 -34.042000 0.028000 93 N A 2 "ASN " "HD21" 1 0 1 1 88.13 1494 + 1495 25 12.559000 -29.935000 -1.424000 94 Y A 2 "TYR " " N " 7 0 1 1 61.19 1495 + 1496 3 11.535000 -29.192000 -2.178000 94 Y A 2 "TYR " " CA " 6 0 1 1 58.65 1496 + 1497 2 11.536000 -27.679000 -1.889000 94 Y A 2 "TYR " " C " 6 0 1 1 61.3 1497 + 1498 15 11.456000 -26.898000 -2.835000 94 Y A 2 "TYR " " O " 8 0 1 1 68.98 1498 + 1499 3 10.134000 -29.789000 -1.943000 94 Y A 2 "TYR " " CB " 6 0 1 1 59.2 1499 + 1500 2 9.855000 -31.121000 -2.616000 94 Y A 2 "TYR " " CG " 6 0 1 1 69.76 1500 + 1501 2 9.986000 -31.252000 -4.015000 94 Y A 2 "TYR " " CD1" 6 0 1 1 71.34 1501 + 1502 2 9.428000 -32.226000 -1.851000 94 Y A 2 "TYR " " CD2" 6 0 1 1 73.73 1502 + 1503 2 9.727000 -32.487000 -4.639000 94 Y A 2 "TYR " " CE1" 6 0 1 1 73.74 1503 + 1504 2 9.174000 -33.462000 -2.474000 94 Y A 2 "TYR " " CE2" 6 0 1 1 81.42 1504 + 1505 2 9.327000 -33.595000 -3.867000 94 Y A 2 "TYR " " CZ " 6 0 1 1 79.51 1505 + 1506 16 9.067000 -34.790000 -4.471000 94 Y A 2 "TYR " " OH " 8 0 1 1 94.01 1506 + 1507 43 12.233000 -30.674000 -0.815000 94 Y A 2 "TYR " " H " 1 0 1 1 61.19 1507 + 1508 41 11.786000 -29.305000 -3.233000 94 Y A 2 "TYR " " HA " 1 0 1 1 58.65 1508 + 1509 41 9.388000 -29.109000 -2.345000 94 Y A 2 "TYR " " HB3" 1 0 1 1 59.2 1509 + 1510 41 9.935000 -29.857000 -0.873000 94 Y A 2 "TYR " " HB2" 1 0 1 1 59.2 1510 + 1511 41 10.288000 -30.407000 -4.617000 94 Y A 2 "TYR " " HD1" 1 0 1 1 71.34 1511 + 1512 41 9.293000 -32.133000 -0.784000 94 Y A 2 "TYR " " HD2" 1 0 1 1 73.73 1512 + 1513 41 9.836000 -32.583000 -5.709000 94 Y A 2 "TYR " " HE1" 1 0 1 1 73.74 1513 + 1514 41 8.843000 -34.303000 -1.883000 94 Y A 2 "TYR " " HE2" 1 0 1 1 81.42 1514 + 1515 42 8.860000 -35.490000 -3.846000 94 Y A 2 "TYR " " HH " 1 0 1 1 94.01 1515 + 1516 25 11.700000 -27.302000 -0.609000 95 V A 2 "VAL " " N " 7 0 1 1 60.23 1516 + 1517 3 11.884000 -25.922000 -0.151000 95 V A 2 "VAL " " CA " 6 0 1 1 57.6 1517 + 1518 2 13.141000 -25.254000 -0.749000 95 V A 2 "VAL " " C " 6 0 1 1 57.82 1518 + 1519 15 13.044000 -24.142000 -1.264000 95 V A 2 "VAL " " O " 8 0 1 1 57.34 1519 + 1520 3 11.941000 -25.867000 1.408000 95 V A 2 "VAL " " CB " 6 0 1 1 50.85 1520 + 1521 3 12.582000 -24.607000 2.022000 95 V A 2 "VAL " " CG1" 6 0 1 1 43.35 1521 + 1522 3 10.542000 -26.076000 2.013000 95 V A 2 "VAL " " CG2" 6 0 1 1 47.23 1522 + 1523 43 11.764000 -28.014000 0.107000 95 V A 2 "VAL " " H " 1 0 1 1 60.23 1523 + 1524 41 11.018000 -25.348000 -0.489000 95 V A 2 "VAL " " HA " 1 0 1 1 57.6 1524 + 1525 41 12.550000 -26.708000 1.746000 95 V A 2 "VAL " " HB " 1 0 1 1 50.85 1525 + 1526 41 12.455000 -24.586000 3.104000 95 V A 2 "VAL " "HG11" 1 0 1 1 43.35 1526 + 1527 41 13.656000 -24.578000 1.840000 95 V A 2 "VAL " "HG12" 1 0 1 1 43.35 1527 + 1528 41 12.141000 -23.696000 1.615000 95 V A 2 "VAL " "HG13" 1 0 1 1 43.35 1528 + 1529 41 10.586000 -26.136000 3.101000 95 V A 2 "VAL " "HG21" 1 0 1 1 47.23 1529 + 1530 41 9.870000 -25.257000 1.752000 95 V A 2 "VAL " "HG22" 1 0 1 1 47.23 1530 + 1531 41 10.088000 -27.000000 1.660000 95 V A 2 "VAL " "HG23" 1 0 1 1 47.23 1531 + 1532 25 14.288000 -25.947000 -0.681000 96 L A 2 "LEU " " N " 7 0 1 1 58.98 1532 + 1533 3 15.587000 -25.443000 -1.133000 96 L A 2 "LEU " " CA " 6 0 1 1 58.01 1533 + 1534 2 15.730000 -25.417000 -2.673000 96 L A 2 "LEU " " C " 6 0 1 1 64 1534 + 1535 15 16.514000 -24.616000 -3.180000 96 L A 2 "LEU " " O " 8 0 1 1 68.91 1535 + 1536 3 16.673000 -26.271000 -0.411000 96 L A 2 "LEU " " CB " 6 0 1 1 45.98 1536 + 1537 3 18.102000 -25.695000 -0.386000 96 L A 2 "LEU " " CG " 6 0 1 1 46.5 1537 + 1538 3 18.164000 -24.337000 0.346000 96 L A 2 "LEU " " CD1" 6 0 1 1 40.23 1538 + 1539 3 19.064000 -26.726000 0.243000 96 L A 2 "LEU " " CD2" 6 0 1 1 42.46 1539 + 1540 43 14.294000 -26.863000 -0.252000 96 L A 2 "LEU " " H " 1 0 1 1 58.98 1540 + 1541 41 15.663000 -24.409000 -0.794000 96 L A 2 "LEU " " HA " 1 0 1 1 58.01 1541 + 1542 41 16.688000 -27.279000 -0.830000 96 L A 2 "LEU " " HB3" 1 0 1 1 45.98 1542 + 1543 41 16.378000 -26.380000 0.632000 96 L A 2 "LEU " " HB2" 1 0 1 1 45.98 1543 + 1544 41 18.433000 -25.534000 -1.413000 96 L A 2 "LEU " " HG " 1 0 1 1 46.5 1544 + 1545 41 18.988000 -24.274000 1.054000 96 L A 2 "LEU " "HD11" 1 0 1 1 40.23 1545 + 1546 41 18.315000 -23.534000 -0.371000 96 L A 2 "LEU " "HD12" 1 0 1 1 40.23 1546 + 1547 41 17.252000 -24.118000 0.902000 96 L A 2 "LEU " "HD13" 1 0 1 1 40.23 1547 + 1548 41 19.823000 -26.275000 0.883000 96 L A 2 "LEU " "HD21" 1 0 1 1 42.46 1548 + 1549 41 18.536000 -27.464000 0.847000 96 L A 2 "LEU " "HD22" 1 0 1 1 42.46 1549 + 1550 41 19.587000 -27.282000 -0.535000 96 L A 2 "LEU " "HD23" 1 0 1 1 42.46 1550 + 1551 25 14.930000 -26.235000 -3.386000 97 H A 2 "HIS " " N " 7 0 1 1 69.45 1551 + 1552 3 14.772000 -26.215000 -4.845000 97 H A 2 "HIS " " CA " 6 0 1 1 69.27 1552 + 1553 2 13.945000 -25.019000 -5.337000 97 H A 2 "HIS " " C " 6 0 1 1 66.45 1553 + 1554 15 14.214000 -24.540000 -6.437000 97 H A 2 "HIS " " O " 8 0 1 1 71.04 1554 + 1555 3 14.100000 -27.515000 -5.344000 97 H A 2 "HIS " " CB " 6 0 1 1 85.44 1555 + 1556 2 14.916000 -28.780000 -5.258000 97 H A 2 "HIS " " CG " 6 0 1 1 112.47 1556 + 1557 25 14.424000 -30.003000 -5.725000 97 H A 2 "HIS " " ND1" 7 0 1 1 125.71 1557 + 1558 2 16.184000 -28.978000 -4.749000 97 H A 2 "HIS " " CD2" 6 0 1 1 121.37 1558 + 1559 2 15.389000 -30.877000 -5.475000 97 H A 2 "HIS " " CE1" 6 0 1 1 130.68 1559 + 1560 25 16.453000 -30.327000 -4.891000 97 H A 2 "HIS " " NE2" 7 0 1 1 133.98 1560 + 1561 43 14.345000 -26.895000 -2.891000 97 H A 2 "HIS " " H " 1 0 1 1 69.45 1561 + 1562 41 15.759000 -26.135000 -5.304000 97 H A 2 "HIS " " HA " 1 0 1 1 69.27 1562 + 1563 41 13.816000 -27.404000 -6.392000 97 H A 2 "HIS " " HB3" 1 0 1 1 85.44 1563 + 1564 41 13.169000 -27.684000 -4.802000 97 H A 2 "HIS " " HB2" 1 0 1 1 85.44 1564 + 1565 41 16.886000 -28.293000 -4.296000 97 H A 2 "HIS " " HD2" 1 0 1 1 121.37 1565 + 1566 41 15.317000 -31.928000 -5.714000 97 H A 2 "HIS " " HE1" 1 0 1 1 130.68 1566 + 1567 43 17.297000 -30.805000 -4.606000 97 H A 2 "HIS " " HE2" 1 0 1 1 133.98 1567 + 1568 25 12.965000 -24.567000 -4.529000 98 T A 2 "THR " " N " 7 0 1 1 60.16 1568 + 1569 3 12.057000 -23.456000 -4.842000 98 T A 2 "THR " " CA " 6 0 1 1 43.79 1569 + 1570 2 12.778000 -22.114000 -5.079000 98 T A 2 "THR " " C " 6 0 1 1 41.37 1570 + 1571 15 12.269000 -21.293000 -5.842000 98 T A 2 "THR " " O " 8 0 1 1 45.18 1571 + 1572 3 11.025000 -23.201000 -3.709000 98 T A 2 "THR " " CB " 6 0 1 1 42.99 1572 + 1573 16 10.308000 -24.375000 -3.406000 98 T A 2 "THR " " OG1" 8 0 1 1 45.99 1573 + 1574 3 9.985000 -22.113000 -4.023000 98 T A 2 "THR " " CG2" 6 0 1 1 43.94 1574 + 1575 43 12.826000 -25.015000 -3.635000 98 T A 2 "THR " " H " 1 0 1 1 60.16 1575 + 1576 41 11.520000 -23.718000 -5.755000 98 T A 2 "THR " " HA " 1 0 1 1 43.79 1576 + 1577 41 11.548000 -22.909000 -2.802000 98 T A 2 "THR " " HB " 1 0 1 1 42.99 1577 + 1578 42 10.922000 -25.063000 -3.129000 98 T A 2 "THR " " HG1" 1 0 1 1 45.99 1578 + 1579 41 9.209000 -22.056000 -3.265000 98 T A 2 "THR " "HG21" 1 0 1 1 43.94 1579 + 1580 41 10.439000 -21.128000 -4.059000 98 T A 2 "THR " "HG22" 1 0 1 1 43.94 1580 + 1581 41 9.507000 -22.297000 -4.981000 98 T A 2 "THR " "HG23" 1 0 1 1 43.94 1581 + 1582 25 13.948000 -21.924000 -4.441000 99 L A 2 "LEU " " N " 7 0 0 1 46.63 1582 + 1583 3 14.791000 -20.743000 -4.601000 99 L A 2 "LEU " " CA " 6 0 0 1 47.05 1583 + 1584 2 15.183000 -20.535000 -6.077000 99 L A 2 "LEU " " C " 6 0 0 1 47.99 1584 + 1585 15 15.775000 -21.427000 -6.686000 99 L A 2 "LEU " " O " 8 0 0 1 49.5 1585 + 1586 3 16.058000 -20.864000 -3.723000 99 L A 2 "LEU " " CB " 6 0 0 1 47.83 1586 + 1587 3 15.880000 -21.067000 -2.201000 99 L A 2 "LEU " " CG " 6 0 0 1 48.45 1587 + 1588 3 17.254000 -21.203000 -1.534000 99 L A 2 "LEU " " CD1" 6 0 0 1 36.84 1588 + 1589 3 15.050000 -19.987000 -1.486000 99 L A 2 "LEU " " CD2" 6 0 0 1 43.72 1589 + 1590 43 14.311000 -22.652000 -3.843000 99 L A 2 "LEU " " H " 1 0 0 1 46.63 1590 + 1591 41 14.201000 -19.885000 -4.281000 99 L A 2 "LEU " " HA " 1 0 0 1 47.05 1591 + 1592 41 16.667000 -19.971000 -3.869000 99 L A 2 "LEU " " HB3" 1 0 0 1 47.83 1592 + 1593 41 16.648000 -21.702000 -4.095000 99 L A 2 "LEU " " HB2" 1 0 0 1 47.83 1593 + 1594 41 15.360000 -22.017000 -2.064000 99 L A 2 "LEU " " HG " 1 0 0 1 48.45 1594 + 1595 41 17.147000 -21.498000 -0.490000 99 L A 2 "LEU " "HD11" 1 0 0 1 36.84 1595 + 1596 41 17.867000 -21.953000 -2.035000 99 L A 2 "LEU " "HD12" 1 0 0 1 36.84 1596 + 1597 41 17.802000 -20.261000 -1.557000 99 L A 2 "LEU " "HD13" 1 0 0 1 36.84 1597 + 1598 41 14.498000 -20.426000 -0.654000 99 L A 2 "LEU " "HD21" 1 0 0 1 43.72 1598 + 1599 41 15.680000 -19.202000 -1.068000 99 L A 2 "LEU " "HD22" 1 0 0 1 43.72 1599 + 1600 41 14.315000 -19.512000 -2.129000 99 L A 2 "LEU " "HD23" 1 0 0 1 43.72 1600 + 1601 25 14.822000 -19.362000 -6.616000 100 G A 2 "GLY " " N " 7 0 0 1 56.41 1601 + 1602 3 15.087000 -18.976000 -7.999000 100 G A 2 "GLY " " CA " 6 0 0 1 63.14 1602 + 1603 2 13.994000 -19.395000 -8.986000 100 G A 2 "GLY " " C " 6 0 0 1 66 1603 + 1604 15 14.124000 -19.073000 -10.167000 100 G A 2 "GLY " " O " 8 0 0 1 57.05 1604 + 1605 43 14.337000 -18.683000 -6.044000 100 G A 2 "GLY " " H " 1 0 0 1 56.41 1605 + 1606 41 16.051000 -19.354000 -8.341000 100 G A 2 "GLY " " HA3" 1 0 0 1 63.14 1606 + 1607 41 15.125000 -17.895000 -8.028000 100 G A 2 "GLY " " HA2" 1 0 0 1 63.14 1607 + 1608 25 12.931000 -20.076000 -8.526000 101 T A 2 "THR " " N " 7 0 0 1 62.18 1608 + 1609 3 11.816000 -20.552000 -9.350000 101 T A 2 "THR " " CA " 6 0 0 1 53.91 1609 + 1610 2 10.505000 -19.772000 -9.084000 101 T A 2 "THR " " C " 6 0 0 1 62.46 1610 + 1611 15 9.465000 -20.142000 -9.633000 101 T A 2 "THR " " O " 8 0 0 1 64.7 1611 + 1612 3 11.594000 -22.087000 -9.173000 101 T A 2 "THR " " CB " 6 0 0 1 48.7 1612 + 1613 16 10.685000 -22.464000 -8.155000 101 T A 2 "THR " " OG1" 8 0 0 1 45.66 1613 + 1614 3 12.884000 -22.913000 -9.038000 101 T A 2 "THR " " CG2" 6 0 0 1 64.56 1614 + 1615 43 12.886000 -20.326000 -7.546000 101 T A 2 "THR " " H " 1 0 0 1 62.18 1615 + 1616 41 12.040000 -20.387000 -10.405000 101 T A 2 "THR " " HA " 1 0 0 1 53.91 1616 + 1617 41 11.129000 -22.427000 -10.098000 101 T A 2 "THR " " HB " 1 0 0 1 48.7 1617 + 1618 42 10.744000 -23.415000 -8.034000 101 T A 2 "THR " " HG1" 1 0 0 1 45.66 1618 + 1619 41 12.668000 -23.981000 -9.011000 101 T A 2 "THR " "HG21" 1 0 0 1 64.56 1619 + 1620 41 13.552000 -22.733000 -9.880000 101 T A 2 "THR " "HG22" 1 0 0 1 64.56 1620 + 1621 41 13.427000 -22.665000 -8.126000 101 T A 2 "THR " "HG23" 1 0 0 1 64.56 1621 + 1622 25 10.573000 -18.708000 -8.265000 102 E A 2 "GLU " " N " 7 0 0 1 66.51 1622 + 1623 3 9.435000 -17.881000 -7.863000 102 E A 2 "GLU " " CA " 6 0 0 1 64.27 1623 + 1624 2 9.322000 -16.633000 -8.747000 102 E A 2 "GLU " " C " 6 0 0 1 67.12 1624 + 1625 15 10.305000 -15.913000 -8.931000 102 E A 2 "GLU " " O " 8 0 0 1 65.06 1625 + 1626 3 9.585000 -17.515000 -6.377000 102 E A 2 "GLU " " CB " 6 0 0 1 63.05 1626 + 1627 3 9.461000 -18.757000 -5.475000 102 E A 2 "GLU " " CG " 6 0 0 1 59.71 1627 + 1628 2 9.778000 -18.446000 -4.018000 102 E A 2 "GLU " " CD " 6 0 0 1 61.92 1628 + 1629 15 10.968000 -18.174000 -3.756000 102 E A 2 "GLU " " OE1" 8 0 0 1 50.73 1629 + 1630 18 8.846000 -18.520000 -3.187000 102 E A 2 "GLU " " OE2" 8 -1 0 1 56.71 1630 + 1631 43 11.463000 -18.456000 -7.861000 102 E A 2 "GLU " " H " 1 0 0 1 66.51 1631 + 1632 41 8.511000 -18.453000 -7.962000 102 E A 2 "GLU " " HA " 1 0 0 1 64.27 1632 + 1633 41 8.823000 -16.787000 -6.092000 102 E A 2 "GLU " " HB3" 1 0 0 1 63.05 1633 + 1634 41 10.547000 -17.027000 -6.214000 102 E A 2 "GLU " " HB2" 1 0 0 1 63.05 1634 + 1635 41 10.153000 -19.533000 -5.798000 102 E A 2 "GLU " " HG3" 1 0 0 1 59.71 1635 + 1636 41 8.463000 -19.187000 -5.558000 102 E A 2 "GLU " " HG2" 1 0 0 1 59.71 1636 + 1637 25 8.105000 -16.416000 -9.268000 103 T A 2 "THR " " N " 7 0 0 1 71.87 1637 + 1638 3 7.742000 -15.291000 -10.130000 103 T A 2 "THR " " CA " 6 0 0 1 72.72 1638 + 1639 2 7.467000 -14.016000 -9.311000 103 T A 2 "THR " " C " 6 0 0 1 72.75 1639 + 1640 15 7.971000 -12.944000 -9.649000 103 T A 2 "THR " " O " 8 0 0 1 72.5 1640 + 1641 3 6.460000 -15.609000 -10.948000 103 T A 2 "THR " " CB " 6 0 0 1 71.28 1641 + 1642 16 6.582000 -16.879000 -11.560000 103 T A 2 "THR " " OG1" 8 0 0 1 77.92 1642 + 1643 3 6.130000 -14.581000 -12.044000 103 T A 2 "THR " " CG2" 6 0 0 1 77.21 1643 + 1644 43 7.366000 -17.080000 -9.090000 103 T A 2 "THR " " H " 1 0 0 1 71.87 1644 + 1645 41 8.565000 -15.093000 -10.820000 103 T A 2 "THR " " HA " 1 0 0 1 72.72 1645 + 1646 41 5.602000 -15.682000 -10.277000 103 T A 2 "THR " " HB " 1 0 0 1 71.28 1646 + 1647 42 5.864000 -16.987000 -12.189000 103 T A 2 "THR " " HG1" 1 0 0 1 77.92 1647 + 1648 41 5.262000 -14.891000 -12.626000 103 T A 2 "THR " "HG21" 1 0 0 1 77.21 1648 + 1649 41 5.899000 -13.603000 -11.623000 103 T A 2 "THR " "HG22" 1 0 0 1 77.21 1649 + 1650 41 6.965000 -14.456000 -12.734000 103 T A 2 "THR " "HG23" 1 0 0 1 77.21 1650 + 1651 25 6.694000 -14.191000 -8.227000 104 Y A 2 "TYR " " N " 7 0 0 1 64.13 1651 + 1652 3 6.382000 -13.200000 -7.201000 104 Y A 2 "TYR " " CA " 6 0 0 1 63.73 1652 + 1653 2 7.627000 -12.850000 -6.373000 104 Y A 2 "TYR " " C " 6 0 0 1 68.03 1653 + 1654 15 8.444000 -13.731000 -6.097000 104 Y A 2 "TYR " " O " 8 0 0 1 56.47 1654 + 1655 3 5.234000 -13.755000 -6.333000 104 Y A 2 "TYR " " CB " 6 0 0 1 55.32 1655 + 1656 2 5.444000 -15.142000 -5.743000 104 Y A 2 "TYR " " CG " 6 0 0 1 63.87 1656 + 1657 2 5.044000 -16.287000 -6.466000 104 Y A 2 "TYR " " CD1" 6 0 0 1 65.7 1657 + 1658 2 6.051000 -15.294000 -4.480000 104 Y A 2 "TYR " " CD2" 6 0 0 1 73.71 1658 + 1659 2 5.274000 -17.572000 -5.940000 104 Y A 2 "TYR " " CE1" 6 0 0 1 64.57 1659 + 1660 2 6.287000 -16.579000 -3.958000 104 Y A 2 "TYR " " CE2" 6 0 0 1 67.59 1660 + 1661 2 5.904000 -17.720000 -4.691000 104 Y A 2 "TYR " " CZ " 6 0 0 1 66.83 1661 + 1662 16 6.160000 -18.966000 -4.201000 104 Y A 2 "TYR " " OH " 8 0 0 1 72.46 1662 + 1663 43 6.360000 -15.122000 -8.023000 104 Y A 2 "TYR " " H " 1 0 0 1 64.13 1663 + 1664 41 6.031000 -12.297000 -7.705000 104 Y A 2 "TYR " " HA " 1 0 0 1 63.73 1664 + 1665 41 4.349000 -13.807000 -6.963000 104 Y A 2 "TYR " " HB3" 1 0 0 1 55.32 1665 + 1666 41 4.992000 -13.055000 -5.531000 104 Y A 2 "TYR " " HB2" 1 0 0 1 55.32 1666 + 1667 41 4.568000 -16.184000 -7.430000 104 Y A 2 "TYR " " HD1" 1 0 0 1 65.7 1667 + 1668 41 6.357000 -14.424000 -3.919000 104 Y A 2 "TYR " " HD2" 1 0 0 1 73.71 1668 + 1669 41 4.979000 -18.442000 -6.503000 104 Y A 2 "TYR " " HE1" 1 0 0 1 64.57 1669 + 1670 41 6.767000 -16.682000 -2.997000 104 Y A 2 "TYR " " HE2" 1 0 0 1 67.59 1670 + 1671 42 6.852000 -18.956000 -3.530000 104 Y A 2 "TYR " " HH " 1 0 0 1 72.46 1671 + 1672 25 7.756000 -11.561000 -6.022000 105 R A 2 "ARG " " N " 7 0 0 1 66.63 1672 + 1673 3 8.955000 -11.016000 -5.385000 105 R A 2 "ARG " " CA " 6 0 0 1 69.84 1673 + 1674 2 9.231000 -11.476000 -3.940000 105 R A 2 "ARG " " C " 6 0 0 1 82.1 1674 + 1675 15 10.350000 -11.938000 -3.720000 105 R A 2 "ARG " " O " 8 0 0 1 102.79 1675 + 1676 3 8.980000 -9.477000 -5.516000 105 R A 2 "ARG " " CB " 6 0 0 1 61.41 1676 + 1677 3 9.803000 -8.986000 -6.718000 105 R A 2 "ARG " " CG " 6 0 0 1 64.53 1677 + 1678 3 11.310000 -9.264000 -6.554000 105 R A 2 "ARG " " CD " 6 0 0 1 62.75 1678 + 1679 25 12.105000 -8.797000 -7.692000 105 R A 2 "ARG " " NE " 7 0 0 1 68.63 1679 + 1680 2 12.155000 -9.312000 -8.930000 105 R A 2 "ARG " " CZ " 6 0 0 1 81.22 1680 + 1681 25 11.395000 -10.354000 -9.294000 105 R A 2 "ARG " " NH1" 7 0 0 1 85.26 1681 + 1682 31 12.992000 -8.766000 -9.821000 105 R A 2 "ARG " " NH2" 7 1 0 1 92.14 1682 + 1683 43 7.038000 -10.897000 -6.272000 105 R A 2 "ARG " " H " 1 0 0 1 66.63 1683 + 1684 41 9.771000 -11.424000 -5.980000 105 R A 2 "ARG " " HA " 1 0 0 1 69.84 1684 + 1685 41 9.414000 -9.027000 -4.621000 105 R A 2 "ARG " " HB3" 1 0 0 1 61.41 1685 + 1686 41 7.964000 -9.084000 -5.573000 105 R A 2 "ARG " " HB2" 1 0 0 1 61.41 1686 + 1687 41 9.675000 -7.903000 -6.746000 105 R A 2 "ARG " " HG3" 1 0 0 1 64.53 1687 + 1688 41 9.416000 -9.357000 -7.667000 105 R A 2 "ARG " " HG2" 1 0 0 1 64.53 1688 + 1689 41 11.556000 -10.292000 -6.291000 105 R A 2 "ARG " " HD3" 1 0 0 1 62.75 1689 + 1690 41 11.656000 -8.653000 -5.721000 105 R A 2 "ARG " " HD2" 1 0 0 1 62.75 1690 + 1691 43 12.733000 -8.036000 -7.479000 105 R A 2 "ARG " " HE " 1 0 0 1 68.63 1691 + 1692 43 11.471000 -10.745000 -10.223000 105 R A 2 "ARG " "HH12" 1 0 0 1 85.26 1692 + 1693 43 10.782000 -10.790000 -8.621000 105 R A 2 "ARG " "HH11" 1 0 0 1 85.26 1693 + 1694 44 13.065000 -9.144000 -10.754000 105 R A 2 "ARG " "HH22" 1 0 0 1 92.14 1694 + 1695 44 13.571000 -7.977000 -9.563000 105 R A 2 "ARG " "HH21" 1 0 0 1 92.14 1695 + 1696 25 8.273000 -11.359000 -2.987000 106 P A 2 "PRO " " N " 7 0 0 1 69.87 1696 + 1697 3 8.515000 -11.819000 -1.608000 106 P A 2 "PRO " " CA " 6 0 0 1 49.27 1697 + 1698 2 8.534000 -13.356000 -1.544000 106 P A 2 "PRO " " C " 6 0 0 1 55.35 1698 + 1699 15 7.472000 -13.979000 -1.591000 106 P A 2 "PRO " " O " 8 0 0 1 64.88 1699 + 1700 3 7.379000 -11.172000 -0.799000 106 P A 2 "PRO " " CB " 6 0 0 1 22.71 1700 + 1701 3 6.243000 -10.994000 -1.795000 106 P A 2 "PRO " " CG " 6 0 0 1 51.73 1701 + 1702 3 6.962000 -10.712000 -3.110000 106 P A 2 "PRO " " CD " 6 0 0 1 35.83 1702 + 1703 41 9.470000 -11.440000 -1.235000 106 P A 2 "PRO " " HA " 1 0 0 1 49.27 1703 + 1704 41 7.706000 -10.194000 -0.443000 106 P A 2 "PRO " " HB3" 1 0 0 1 22.71 1704 + 1705 41 7.078000 -11.750000 0.077000 106 P A 2 "PRO " " HB2" 1 0 0 1 22.71 1705 + 1706 41 5.534000 -10.216000 -1.512000 106 P A 2 "PRO " " HG3" 1 0 0 1 51.73 1706 + 1707 41 5.690000 -11.931000 -1.881000 106 P A 2 "PRO " " HG2" 1 0 0 1 51.73 1707 + 1708 41 6.367000 -11.079000 -3.944000 106 P A 2 "PRO " " HD2" 1 0 0 1 35.83 1708 + 1709 41 7.110000 -9.640000 -3.236000 106 P A 2 "PRO " " HD3" 1 0 0 1 35.83 1709 + 1710 25 9.753000 -13.921000 -1.505000 107 S A 2 "SER " " N " 7 0 0 1 51.12 1710 + 1711 3 10.026000 -15.356000 -1.549000 107 S A 2 "SER " " CA " 6 0 0 1 49.02 1711 + 1712 2 9.369000 -16.091000 -0.370000 107 S A 2 "SER " " C " 6 0 0 1 50.02 1712 + 1713 15 9.727000 -15.848000 0.782000 107 S A 2 "SER " " O " 8 0 0 1 65.37 1713 + 1714 3 11.554000 -15.573000 -1.600000 107 S A 2 "SER " " CB " 6 0 0 1 53.05 1714 + 1715 16 11.913000 -16.940000 -1.557000 107 S A 2 "SER " " OG " 8 0 0 1 42.53 1715 + 1716 43 10.571000 -13.325000 -1.463000 107 S A 2 "SER " " H " 1 0 0 1 51.12 1716 + 1717 41 9.602000 -15.738000 -2.480000 107 S A 2 "SER " " HA " 1 0 0 1 49.02 1717 + 1718 41 12.031000 -15.085000 -0.754000 107 S A 2 "SER " " HB3" 1 0 0 1 53.05 1718 + 1719 41 11.974000 -15.127000 -2.502000 107 S A 2 "SER " " HB2" 1 0 0 1 53.05 1719 + 1720 42 11.587000 -17.370000 -2.361000 107 S A 2 "SER " " HG " 1 0 0 1 42.53 1720 + 1721 25 8.424000 -16.983000 -0.696000 108 S A 2 "SER " " N " 7 0 1 1 47.11 1721 + 1722 3 7.751000 -17.853000 0.266000 108 S A 2 "SER " " CA " 6 0 1 1 55.65 1722 + 1723 2 8.624000 -19.037000 0.713000 108 S A 2 "SER " " C " 6 0 1 1 59.09 1723 + 1724 15 8.347000 -19.614000 1.764000 108 S A 2 "SER " " O " 8 0 1 1 58.93 1724 + 1725 3 6.406000 -18.311000 -0.320000 108 S A 2 "SER " " CB " 6 0 1 1 60.84 1725 + 1726 16 5.458000 -17.289000 -0.107000 108 S A 2 "SER " " OG " 8 0 1 1 68.14 1726 + 1727 43 8.214000 -17.151000 -1.672000 108 S A 2 "SER " " H " 1 0 1 1 47.11 1727 + 1728 41 7.553000 -17.280000 1.175000 108 S A 2 "SER " " HA " 1 0 1 1 55.65 1728 + 1729 41 6.036000 -19.205000 0.181000 108 S A 2 "SER " " HB3" 1 0 1 1 60.84 1729 + 1730 41 6.479000 -18.549000 -1.382000 108 S A 2 "SER " " HB2" 1 0 1 1 60.84 1730 + 1731 42 5.257000 -17.244000 0.831000 108 S A 2 "SER " " HG " 1 0 1 1 68.14 1731 + 1732 25 9.680000 -19.342000 -0.061000 109 A A 2 "ALA " " N " 7 0 1 1 58.84 1732 + 1733 3 10.715000 -20.312000 0.278000 109 A A 2 "ALA " " CA " 6 0 1 1 62.11 1733 + 1734 2 11.654000 -19.834000 1.396000 109 A A 2 "ALA " " C " 6 0 1 1 65.76 1734 + 1735 15 12.072000 -20.665000 2.198000 109 A A 2 "ALA " " O " 8 0 1 1 59.94 1735 + 1736 3 11.517000 -20.629000 -0.986000 109 A A 2 "ALA " " CB " 6 0 1 1 54.65 1736 + 1737 43 9.820000 -18.828000 -0.922000 109 A A 2 "ALA " " H " 1 0 1 1 58.84 1737 + 1738 41 10.225000 -21.229000 0.610000 109 A A 2 "ALA " " HA " 1 0 1 1 62.11 1738 + 1739 41 12.239000 -21.428000 -0.814000 109 A A 2 "ALA " " HB1" 1 0 1 1 54.65 1739 + 1740 41 10.847000 -20.952000 -1.777000 109 A A 2 "ALA " " HB2" 1 0 1 1 54.65 1740 + 1741 41 12.054000 -19.755000 -1.354000 109 A A 2 "ALA " " HB3" 1 0 1 1 54.65 1741 + 1742 25 11.958000 -18.524000 1.447000 110 S A 2 "SER " " N " 7 0 1 1 69.84 1742 + 1743 3 12.865000 -17.903000 2.423000 110 S A 2 "SER " " CA " 6 0 1 1 71.97 1743 + 1744 2 12.428000 -18.075000 3.886000 110 S A 2 "SER " " C " 6 0 1 1 70.68 1744 + 1745 15 13.278000 -18.321000 4.743000 110 S A 2 "SER " " O " 8 0 1 1 61.07 1745 + 1746 3 13.016000 -16.409000 2.097000 110 S A 2 "SER " " CB " 6 0 1 1 69.84 1746 + 1747 16 13.758000 -16.275000 0.910000 110 S A 2 "SER " " OG " 8 0 1 1 84.63 1747 + 1748 43 11.596000 -17.904000 0.734000 110 S A 2 "SER " " H " 1 0 1 1 69.84 1748 + 1749 41 13.839000 -18.387000 2.324000 110 S A 2 "SER " " HA " 1 0 1 1 71.97 1749 + 1750 41 13.554000 -15.885000 2.889000 110 S A 2 "SER " " HB3" 1 0 1 1 69.84 1750 + 1751 41 12.050000 -15.916000 1.988000 110 S A 2 "SER " " HB2" 1 0 1 1 69.84 1751 + 1752 42 13.696000 -15.364000 0.610000 110 S A 2 "SER " " HG " 1 0 1 1 84.63 1752 + 1753 25 11.108000 -17.985000 4.122000 111 Q A 2 "GLN " " N " 7 0 1 1 74.31 1753 + 1754 3 10.469000 -18.222000 5.417000 111 Q A 2 "GLN " " CA " 6 0 1 1 71.47 1754 + 1755 2 10.584000 -19.689000 5.864000 111 Q A 2 "GLN " " C " 6 0 1 1 64.34 1755 + 1756 15 10.808000 -19.939000 7.047000 111 Q A 2 "GLN " " O " 8 0 1 1 67.97 1756 + 1757 3 8.979000 -17.836000 5.346000 111 Q A 2 "GLN " " CB " 6 0 1 1 87.82 1757 + 1758 3 8.717000 -16.396000 4.872000 111 Q A 2 "GLN " " CG " 6 0 1 1 106.14 1758 + 1759 2 7.291000 -15.943000 5.184000 111 Q A 2 "GLN " " CD " 6 0 1 1 119.26 1759 + 1760 15 7.088000 -14.999000 5.945000 111 Q A 2 "GLN " " OE1" 8 0 1 1 124.66 1760 + 1761 25 6.297000 -16.633000 4.621000 111 Q A 2 "GLN " " NE2" 7 0 1 1 123.74 1761 + 1762 43 10.487000 -17.781000 3.352000 111 Q A 2 "GLN " " H " 1 0 1 1 74.31 1762 + 1763 41 10.964000 -17.594000 6.161000 111 Q A 2 "GLN " " HA " 1 0 1 1 71.47 1763 + 1764 41 8.547000 -17.972000 6.339000 111 Q A 2 "GLN " " HB3" 1 0 1 1 87.82 1764 + 1765 41 8.444000 -18.527000 4.690000 111 Q A 2 "GLN " " HB2" 1 0 1 1 87.82 1765 + 1766 41 8.901000 -16.299000 3.801000 111 Q A 2 "GLN " " HG3" 1 0 1 1 106.14 1766 + 1767 41 9.409000 -15.717000 5.366000 111 Q A 2 "GLN " " HG2" 1 0 1 1 106.14 1767 + 1768 43 5.337000 -16.371000 4.792000 111 Q A 2 "GLN " "HE22" 1 0 1 1 123.74 1768 + 1769 43 6.497000 -17.411000 4.010000 111 Q A 2 "GLN " "HE21" 1 0 1 1 123.74 1769 + 1770 25 10.430000 -20.617000 4.902000 112 C A 2 "CYS " " N " 7 0 1 1 61.06 1770 + 1771 3 10.491000 -22.065000 5.105000 112 C A 2 "CYS " " CA " 6 0 1 1 56.25 1771 + 1772 2 11.913000 -22.531000 5.444000 112 C A 2 "CYS " " C " 6 0 1 1 51.94 1772 + 1773 15 12.070000 -23.327000 6.368000 112 C A 2 "CYS " " O " 8 0 1 1 58.06 1773 + 1774 3 9.989000 -22.846000 3.878000 112 C A 2 "CYS " " CB " 6 0 1 1 60.11 1774 + 1775 49 8.269000 -22.430000 3.521000 112 C A 2 "CYS " " SG " 16 0 1 1 71.63 1775 + 1776 43 10.268000 -20.313000 3.953000 112 C A 2 "CYS " " H " 1 0 1 1 61.06 1776 + 1777 41 9.848000 -22.312000 5.953000 112 C A 2 "CYS " " HA " 1 0 1 1 56.25 1777 + 1778 41 10.052000 -23.920000 4.055000 112 C A 2 "CYS " " HB3" 1 0 1 1 60.11 1778 + 1779 41 10.583000 -22.630000 2.993000 112 C A 2 "CYS " " HB2" 1 0 1 1 60.11 1779 + 1780 41 8.504000 -21.200000 3.050000 112 C A 2 "CYS " " HG " 1 0 1 1 71.63 1780 + 1781 25 12.912000 -22.004000 4.709000 113 V A 2 "VAL " " N " 7 0 1 1 47.5 1781 + 1782 3 14.338000 -22.245000 4.932000 113 V A 2 "VAL " " CA " 6 0 1 1 44.31 1782 + 1783 2 14.769000 -21.837000 6.352000 113 V A 2 "VAL " " C " 6 0 1 1 56.34 1783 + 1784 15 15.363000 -22.660000 7.043000 113 V A 2 "VAL " " O " 8 0 1 1 64.54 1784 + 1785 3 15.231000 -21.519000 3.876000 113 V A 2 "VAL " " CB " 6 0 1 1 35.98 1785 + 1786 3 16.719000 -21.386000 4.263000 113 V A 2 "VAL " " CG1" 6 0 1 1 50.56 1786 + 1787 3 15.132000 -22.188000 2.496000 113 V A 2 "VAL " " CG2" 6 0 1 1 43.55 1787 + 1788 43 12.686000 -21.365000 3.957000 113 V A 2 "VAL " " H " 1 0 1 1 47.5 1788 + 1789 41 14.499000 -23.321000 4.836000 113 V A 2 "VAL " " HA " 1 0 1 1 44.31 1789 + 1790 41 14.848000 -20.505000 3.750000 113 V A 2 "VAL " " HB " 1 0 1 1 35.98 1790 + 1791 41 17.344000 -21.124000 3.409000 113 V A 2 "VAL " "HG11" 1 0 1 1 50.56 1791 + 1792 41 16.854000 -20.602000 5.006000 113 V A 2 "VAL " "HG12" 1 0 1 1 50.56 1792 + 1793 41 17.105000 -22.315000 4.678000 113 V A 2 "VAL " "HG13" 1 0 1 1 50.56 1793 + 1794 41 15.706000 -21.641000 1.747000 113 V A 2 "VAL " "HG21" 1 0 1 1 43.55 1794 + 1795 41 15.515000 -23.208000 2.526000 113 V A 2 "VAL " "HG22" 1 0 1 1 43.55 1795 + 1796 41 14.105000 -22.227000 2.141000 113 V A 2 "VAL " "HG23" 1 0 1 1 43.55 1796 + 1797 25 14.414000 -20.610000 6.770000 114 A A 2 "ALA " " N " 7 0 1 1 57.41 1797 + 1798 3 14.695000 -20.087000 8.105000 114 A A 2 "ALA " " CA " 6 0 1 1 59.36 1798 + 1799 2 13.953000 -20.818000 9.233000 114 A A 2 "ALA " " C " 6 0 1 1 62.3 1799 + 1800 15 14.552000 -21.034000 10.283000 114 A A 2 "ALA " " O " 8 0 1 1 73.16 1800 + 1801 3 14.406000 -18.588000 8.129000 114 A A 2 "ALA " " CB " 6 0 1 1 61.28 1801 + 1802 43 13.916000 -19.992000 6.143000 114 A A 2 "ALA " " H " 1 0 1 1 57.41 1802 + 1803 41 15.761000 -20.211000 8.285000 114 A A 2 "ALA " " HA " 1 0 1 1 59.36 1803 + 1804 41 14.624000 -18.150000 9.105000 114 A A 2 "ALA " " HB1" 1 0 1 1 61.28 1804 + 1805 41 15.038000 -18.087000 7.396000 114 A A 2 "ALA " " HB2" 1 0 1 1 61.28 1805 + 1806 41 13.365000 -18.370000 7.885000 114 A A 2 "ALA " " HB3" 1 0 1 1 61.28 1806 + 1807 25 12.693000 -21.223000 8.990000 115 G A 2 "GLY " " N " 7 0 1 1 59.6 1807 + 1808 3 11.855000 -21.944000 9.950000 115 G A 2 "GLY " " CA " 6 0 1 1 60.23 1808 + 1809 2 12.417000 -23.336000 10.289000 115 G A 2 "GLY " " C " 6 0 1 1 63.52 1809 + 1810 15 12.315000 -23.759000 11.440000 115 G A 2 "GLY " " O " 8 0 1 1 64.29 1810 + 1811 43 12.271000 -20.998000 8.099000 115 G A 2 "GLY " " H " 1 0 1 1 59.6 1811 + 1812 41 10.858000 -22.063000 9.526000 115 G A 2 "GLY " " HA3" 1 0 1 1 60.23 1812 + 1813 41 11.749000 -21.355000 10.862000 115 G A 2 "GLY " " HA2" 1 0 1 1 60.23 1813 + 1814 25 13.032000 -24.023000 9.308000 116 I A 2 "ILE " " N " 7 0 1 1 56.16 1814 + 1815 3 13.683000 -25.322000 9.498000 116 I A 2 "ILE " " CA " 6 0 1 1 50.65 1815 + 1816 2 15.127000 -25.159000 10.016000 116 I A 2 "ILE " " C " 6 0 1 1 51.96 1816 + 1817 15 15.533000 -25.941000 10.873000 116 I A 2 "ILE " " O " 8 0 1 1 56.72 1817 + 1818 3 13.713000 -26.169000 8.191000 116 I A 2 "ILE " " CB " 6 0 1 1 45.86 1818 + 1819 3 12.293000 -26.480000 7.678000 116 I A 2 "ILE " " CG1" 6 0 1 1 53.63 1819 + 1820 3 14.519000 -27.483000 8.323000 116 I A 2 "ILE " " CG2" 6 0 1 1 43.75 1820 + 1821 3 12.241000 -27.060000 6.257000 116 I A 2 "ILE " " CD1" 6 0 1 1 56.75 1821 + 1822 43 13.074000 -23.632000 8.377000 116 I A 2 "ILE " " H " 1 0 1 1 56.16 1822 + 1823 41 13.125000 -25.891000 10.245000 116 I A 2 "ILE " " HA " 1 0 1 1 50.65 1823 + 1824 41 14.176000 -25.557000 7.421000 116 I A 2 "ILE " " HB " 1 0 1 1 45.86 1824 + 1825 41 11.711000 -25.564000 7.659000 116 I A 2 "ILE " "HG13" 1 0 1 1 53.63 1825 + 1826 41 11.790000 -27.153000 8.371000 116 I A 2 "ILE " "HG12" 1 0 1 1 53.63 1826 + 1827 41 14.448000 -28.093000 7.428000 116 I A 2 "ILE " "HG21" 1 0 1 1 43.75 1827 + 1828 41 15.581000 -27.317000 8.491000 116 I A 2 "ILE " "HG22" 1 0 1 1 43.75 1828 + 1829 41 14.155000 -28.078000 9.157000 116 I A 2 "ILE " "HG23" 1 0 1 1 43.75 1829 + 1830 41 11.272000 -26.865000 5.796000 116 I A 2 "ILE " "HD11" 1 0 1 1 56.75 1830 + 1831 41 13.003000 -26.618000 5.614000 116 I A 2 "ILE " "HD12" 1 0 1 1 56.75 1831 + 1832 41 12.392000 -28.139000 6.260000 116 I A 2 "ILE " "HD13" 1 0 1 1 56.75 1832 + 1833 25 15.861000 -24.148000 9.512000 117 A A 2 "ALA " " N " 7 0 1 1 56.27 1833 + 1834 3 17.226000 -23.802000 9.924000 117 A A 2 "ALA " " CA " 6 0 1 1 55.46 1834 + 1835 2 17.341000 -23.481000 11.418000 117 A A 2 "ALA " " C " 6 0 1 1 56.05 1835 + 1836 15 18.291000 -23.930000 12.051000 117 A A 2 "ALA " " O " 8 0 1 1 56.47 1836 + 1837 3 17.715000 -22.590000 9.123000 117 A A 2 "ALA " " CB " 6 0 1 1 40.41 1837 + 1838 43 15.460000 -23.557000 8.795000 117 A A 2 "ALA " " H " 1 0 1 1 56.27 1838 + 1839 41 17.871000 -24.653000 9.699000 117 A A 2 "ALA " " HA " 1 0 1 1 55.46 1839 + 1840 41 18.739000 -22.325000 9.379000 117 A A 2 "ALA " " HB1" 1 0 1 1 40.41 1840 + 1841 41 17.682000 -22.774000 8.054000 117 A A 2 "ALA " " HB2" 1 0 1 1 40.41 1841 + 1842 41 17.097000 -21.718000 9.327000 117 A A 2 "ALA " " HB3" 1 0 1 1 40.41 1842 + 1843 25 16.343000 -22.759000 11.955000 118 C A 2 "CYS " " N " 7 0 1 1 58.9 1843 + 1844 3 16.204000 -22.434000 13.375000 118 C A 2 "CYS " " CA " 6 0 1 1 57.85 1844 + 1845 2 16.017000 -23.668000 14.276000 118 C A 2 "CYS " " C " 6 0 1 1 61.69 1845 + 1846 15 16.391000 -23.595000 15.445000 118 C A 2 "CYS " " O " 8 0 1 1 69.83 1846 + 1847 3 15.055000 -21.440000 13.623000 118 C A 2 "CYS " " CB " 6 0 1 1 68.89 1847 + 1848 49 15.541000 -19.785000 13.082000 118 C A 2 "CYS " " SG " 16 0 1 1 87.05 1848 + 1849 43 15.610000 -22.407000 11.352000 118 C A 2 "CYS " " H " 1 0 1 1 58.9 1849 + 1850 41 17.135000 -21.968000 13.694000 118 C A 2 "CYS " " HA " 1 0 1 1 57.85 1850 + 1851 41 14.826000 -21.363000 14.685000 118 C A 2 "CYS " " HB3" 1 0 1 1 68.89 1851 + 1852 41 14.143000 -21.747000 13.110000 118 C A 2 "CYS " " HB2" 1 0 1 1 68.89 1852 + 1853 41 16.501000 -19.608000 13.993000 118 C A 2 "CYS " " HG " 1 0 1 1 87.05 1853 + 1854 25 15.465000 -24.765000 13.729000 119 A A 2 "ALA " " N " 7 0 1 1 61.2 1854 + 1855 3 15.278000 -26.032000 14.433000 119 A A 2 "ALA " " CA " 6 0 1 1 54.18 1855 + 1856 2 16.481000 -26.982000 14.285000 119 A A 2 "ALA " " C " 6 0 1 1 53.63 1856 + 1857 15 16.751000 -27.721000 15.230000 119 A A 2 "ALA " " O " 8 0 1 1 52.68 1857 + 1858 3 14.005000 -26.715000 13.907000 119 A A 2 "ALA " " CB " 6 0 1 1 28.85 1858 + 1859 43 15.191000 -24.754000 12.756000 119 A A 2 "ALA " " H " 1 0 1 1 61.2 1859 + 1860 41 15.129000 -25.832000 15.497000 119 A A 2 "ALA " " HA " 1 0 1 1 54.18 1860 + 1861 41 13.713000 -27.547000 14.549000 119 A A 2 "ALA " " HB1" 1 0 1 1 28.85 1861 + 1862 41 13.165000 -26.026000 13.861000 119 A A 2 "ALA " " HB2" 1 0 1 1 28.85 1862 + 1863 41 14.145000 -27.111000 12.900000 119 A A 2 "ALA " " HB3" 1 0 1 1 28.85 1863 + 1864 25 17.154000 -26.974000 13.117000 120 E A 2 "GLU " " N " 7 0 1 1 52.78 1864 + 1865 3 18.135000 -27.998000 12.739000 120 E A 2 "GLU " " CA " 6 0 1 1 60.09 1865 + 1866 2 19.608000 -27.580000 12.816000 120 E A 2 "GLU " " C " 6 0 1 1 57.06 1866 + 1867 15 20.411000 -28.437000 13.177000 120 E A 2 "GLU " " O " 8 0 1 1 62.4 1867 + 1868 3 17.817000 -28.581000 11.352000 120 E A 2 "GLU " " CB " 6 0 1 1 66.2 1868 + 1869 3 16.610000 -29.540000 11.390000 120 E A 2 "GLU " " CG " 6 0 1 1 66.32 1869 + 1870 2 16.437000 -30.374000 10.123000 120 E A 2 "GLU " " CD " 6 0 1 1 63.87 1870 + 1871 15 17.395000 -30.436000 9.332000 120 E A 2 "GLU " " OE1" 8 0 1 1 59.57 1871 + 1872 18 15.366000 -30.998000 9.980000 120 E A 2 "GLU " " OE2" 8 -1 1 1 66.14 1872 + 1873 43 16.863000 -26.343000 12.382000 120 E A 2 "GLU " " H " 1 0 1 1 52.78 1873 + 1874 41 18.055000 -28.832000 13.438000 120 E A 2 "GLU " " HA " 1 0 1 1 60.09 1874 + 1875 41 18.697000 -29.107000 10.977000 120 E A 2 "GLU " " HB3" 1 0 1 1 66.2 1875 + 1876 41 17.624000 -27.778000 10.639000 120 E A 2 "GLU " " HB2" 1 0 1 1 66.2 1876 + 1877 41 15.693000 -28.990000 11.602000 120 E A 2 "GLU " " HG3" 1 0 1 1 66.32 1877 + 1878 41 16.754000 -30.254000 12.197000 120 E A 2 "GLU " " HG2" 1 0 1 1 66.32 1878 + 1879 25 19.965000 -26.321000 12.502000 121 I A 2 "ILE " " N " 7 0 0 1 55.81 1879 + 1880 3 21.340000 -25.817000 12.662000 121 I A 2 "ILE " " CA " 6 0 0 1 52.06 1880 + 1881 2 21.908000 -25.922000 14.105000 121 I A 2 "ILE " " C " 6 0 0 1 56.78 1881 + 1882 15 23.052000 -26.364000 14.217000 121 I A 2 "ILE " " O " 8 0 0 1 55.3 1882 + 1883 3 21.561000 -24.376000 12.094000 121 I A 2 "ILE " " CB " 6 0 0 1 44.05 1883 + 1884 3 21.372000 -24.359000 10.558000 121 I A 2 "ILE " " CG1" 6 0 0 1 49.82 1884 + 1885 3 22.916000 -23.724000 12.473000 121 I A 2 "ILE " " CG2" 6 0 0 1 37.91 1885 + 1886 3 21.434000 -22.959000 9.927000 121 I A 2 "ILE " " CD1" 6 0 0 1 53.45 1886 + 1887 43 19.266000 -25.644000 12.221000 121 I A 2 "ILE " " H " 1 0 0 1 55.81 1887 + 1888 41 21.958000 -26.481000 12.054000 121 I A 2 "ILE " " HA " 1 0 0 1 52.06 1888 + 1889 41 20.785000 -23.745000 12.517000 121 I A 2 "ILE " " HB " 1 0 0 1 44.05 1889 + 1890 41 20.418000 -24.815000 10.292000 121 I A 2 "ILE " "HG13" 1 0 0 1 49.82 1890 + 1891 41 22.136000 -24.984000 10.095000 121 I A 2 "ILE " "HG12" 1 0 0 1 49.82 1891 + 1892 41 23.035000 -22.734000 12.034000 121 I A 2 "ILE " "HG21" 1 0 0 1 37.91 1892 + 1893 41 23.019000 -23.573000 13.548000 121 I A 2 "ILE " "HG22" 1 0 0 1 37.91 1893 + 1894 41 23.752000 -24.339000 12.141000 121 I A 2 "ILE " "HG23" 1 0 0 1 37.91 1894 + 1895 41 20.967000 -22.958000 8.944000 121 I A 2 "ILE " "HD11" 1 0 0 1 53.45 1895 + 1896 41 20.923000 -22.217000 10.540000 121 I A 2 "ILE " "HD12" 1 0 0 1 53.45 1896 + 1897 41 22.464000 -22.630000 9.788000 121 I A 2 "ILE " "HD13" 1 0 0 1 53.45 1897 + 1898 25 21.117000 -25.633000 15.174000 122 P A 2 "PRO " " N " 7 0 0 1 58.1 1898 + 1899 3 21.580000 -25.849000 16.561000 122 P A 2 "PRO " " CA " 6 0 0 1 58.4 1899 + 1900 2 21.867000 -27.299000 16.993000 122 P A 2 "PRO " " C " 6 0 0 1 56.11 1900 + 1901 15 22.614000 -27.472000 17.955000 122 P A 2 "PRO " " O " 8 0 0 1 66.95 1901 + 1902 3 20.509000 -25.179000 17.441000 122 P A 2 "PRO " " CB " 6 0 0 1 51.59 1902 + 1903 3 19.277000 -25.102000 16.563000 122 P A 2 "PRO " " CG " 6 0 0 1 64.6 1903 + 1904 3 19.870000 -24.858000 15.186000 122 P A 2 "PRO " " CD " 6 0 0 1 58.2 1904 + 1905 41 22.520000 -25.320000 16.691000 122 P A 2 "PRO " " HA " 1 0 0 1 58.4 1905 + 1906 41 20.831000 -24.169000 17.695000 122 P A 2 "PRO " " HB3" 1 0 0 1 51.59 1906 + 1907 41 20.314000 -25.700000 18.380000 122 P A 2 "PRO " " HB2" 1 0 0 1 51.59 1907 + 1908 41 18.574000 -24.330000 16.876000 122 P A 2 "PRO " " HG3" 1 0 0 1 64.6 1908 + 1909 41 18.756000 -26.061000 16.574000 122 P A 2 "PRO " " HG2" 1 0 0 1 64.6 1909 + 1910 41 19.130000 -25.104000 14.431000 122 P A 2 "PRO " " HD2" 1 0 0 1 58.2 1910 + 1911 41 20.127000 -23.806000 15.073000 122 P A 2 "PRO " " HD3" 1 0 0 1 58.2 1911 + 1912 25 21.316000 -28.298000 16.282000 123 V A 2 "VAL " " N " 7 0 0 1 54.87 1912 + 1913 3 21.566000 -29.723000 16.531000 123 V A 2 "VAL " " CA " 6 0 0 1 53.47 1913 + 1914 2 22.317000 -30.405000 15.361000 123 V A 2 "VAL " " C " 6 0 0 1 58.48 1914 + 1915 15 22.383000 -31.634000 15.325000 123 V A 2 "VAL " " O " 8 0 0 1 60.21 1915 + 1916 3 20.247000 -30.488000 16.843000 123 V A 2 "VAL " " CB " 6 0 0 1 40.61 1916 + 1917 3 19.610000 -30.004000 18.158000 123 V A 2 "VAL " " CG1" 6 0 0 1 29.95 1917 + 1918 3 19.216000 -30.461000 15.703000 123 V A 2 "VAL " " CG2" 6 0 0 1 42.1 1918 + 1919 43 20.711000 -28.085000 15.502000 123 V A 2 "VAL " " H " 1 0 0 1 54.87 1919 + 1920 41 22.222000 -29.845000 17.394000 123 V A 2 "VAL " " HA " 1 0 0 1 53.47 1920 + 1921 41 20.499000 -31.536000 17.012000 123 V A 2 "VAL " " HB " 1 0 0 1 40.61 1921 + 1922 41 18.727000 -30.593000 18.405000 123 V A 2 "VAL " "HG11" 1 0 0 1 29.95 1922 + 1923 41 20.309000 -30.093000 18.990000 123 V A 2 "VAL " "HG12" 1 0 0 1 29.95 1923 + 1924 41 19.300000 -28.960000 18.093000 123 V A 2 "VAL " "HG13" 1 0 0 1 29.95 1924 + 1925 41 18.374000 -31.114000 15.930000 123 V A 2 "VAL " "HG21" 1 0 0 1 42.1 1925 + 1926 41 18.826000 -29.455000 15.556000 123 V A 2 "VAL " "HG22" 1 0 0 1 42.1 1926 + 1927 41 19.636000 -30.791000 14.756000 123 V A 2 "VAL " "HG23" 1 0 0 1 42.1 1927 + 1928 25 22.900000 -29.602000 14.447000 124 N A 2 "ASN " " N " 7 0 0 1 61.98 1928 + 1929 3 23.748000 -30.012000 13.314000 124 N A 2 "ASN " " CA " 6 0 0 1 73.05 1929 + 1930 2 23.055000 -30.975000 12.322000 124 N A 2 "ASN " " C " 6 0 0 1 72.13 1930 + 1931 15 23.734000 -31.806000 11.719000 124 N A 2 "ASN " " O " 8 0 0 1 69.21 1931 + 1932 3 25.103000 -30.588000 13.817000 124 N A 2 "ASN " " CB " 6 0 0 1 75.29 1932 + 1933 2 25.915000 -29.609000 14.667000 124 N A 2 "ASN " " CG " 6 0 0 1 84.44 1933 + 1934 15 26.289000 -28.538000 14.197000 124 N A 2 "ASN " " OD1" 8 0 0 1 96.92 1934 + 1935 25 26.208000 -29.981000 15.915000 124 N A 2 "ASN " " ND2" 7 0 0 1 94.95 1935 + 1936 43 22.800000 -28.603000 14.561000 124 N A 2 "ASN " " H " 1 0 0 1 61.98 1936 + 1937 41 23.951000 -29.099000 12.751000 124 N A 2 "ASN " " HA " 1 0 0 1 73.05 1937 + 1938 41 25.738000 -30.851000 12.969000 124 N A 2 "ASN " " HB3" 1 0 0 1 75.29 1938 + 1939 41 24.941000 -31.515000 14.370000 124 N A 2 "ASN " " HB2" 1 0 0 1 75.29 1939 + 1940 43 26.747000 -29.368000 16.509000 124 N A 2 "ASN " "HD22" 1 0 0 1 94.95 1940 + 1941 43 25.889000 -30.869000 16.275000 124 N A 2 "ASN " "HD21" 1 0 0 1 94.95 1941 + 1942 25 21.725000 -30.858000 12.165000 125 Q A 2 "GLN " " N " 7 0 0 1 70.19 1942 + 1943 3 20.913000 -31.720000 11.298000 125 Q A 2 "GLN " " CA " 6 0 0 1 70.87 1943 + 1944 2 20.715000 -31.201000 9.863000 125 Q A 2 "GLN " " C " 6 0 0 1 70.43 1944 + 1945 15 20.051000 -31.889000 9.087000 125 Q A 2 "GLN " " O " 8 0 0 1 80.8 1945 + 1946 3 19.578000 -32.074000 11.992000 125 Q A 2 "GLN " " CB " 6 0 0 1 70.57 1946 + 1947 3 19.741000 -33.198000 13.035000 125 Q A 2 "GLN " " CG " 6 0 0 1 61.24 1947 + 1948 2 18.404000 -33.800000 13.470000 125 Q A 2 "GLN " " CD " 6 0 0 1 75.49 1948 + 1949 15 17.598000 -34.205000 12.635000 125 Q A 2 "GLN " " OE1" 8 0 0 1 72.18 1949 + 1950 25 18.179000 -33.906000 14.781000 125 Q A 2 "GLN " " NE2" 7 0 0 1 79.15 1950 + 1951 43 21.226000 -30.144000 12.681000 125 Q A 2 "GLN " " H " 1 0 0 1 70.19 1951 + 1952 41 21.446000 -32.661000 11.155000 125 Q A 2 "GLN " " HA " 1 0 0 1 70.87 1952 + 1953 41 18.847000 -32.393000 11.247000 125 Q A 2 "GLN " " HB3" 1 0 0 1 70.57 1953 + 1954 41 19.146000 -31.187000 12.457000 125 Q A 2 "GLN " " HB2" 1 0 0 1 70.57 1954 + 1955 41 20.306000 -32.842000 13.897000 125 Q A 2 "GLN " " HG3" 1 0 0 1 61.24 1955 + 1956 41 20.322000 -34.017000 12.609000 125 Q A 2 "GLN " " HG2" 1 0 0 1 61.24 1956 + 1957 43 17.319000 -34.314000 15.116000 125 Q A 2 "GLN " "HE22" 1 0 0 1 79.15 1957 + 1958 43 18.867000 -33.583000 15.446000 125 Q A 2 "GLN " "HE21" 1 0 0 1 79.15 1958 + 1959 25 21.315000 -30.052000 9.505000 126 W A 2 "TRP " " N " 7 0 0 1 61.46 1959 + 1960 3 21.297000 -29.539000 8.131000 126 W A 2 "TRP " " CA " 6 0 0 1 60.62 1960 + 1961 2 22.616000 -28.824000 7.764000 126 W A 2 "TRP " " C " 6 0 0 1 57.34 1961 + 1962 15 22.571000 -27.645000 7.408000 126 W A 2 "TRP " " O " 8 0 0 1 63.65 1962 + 1963 3 20.032000 -28.673000 7.919000 126 W A 2 "TRP " " CB " 6 0 0 1 51.99 1963 + 1964 2 19.582000 -28.393000 6.512000 126 W A 2 "TRP " " CG " 6 0 0 1 55.55 1964 + 1965 2 20.054000 -28.965000 5.379000 126 W A 2 "TRP " " CD1" 6 0 0 1 64.63 1965 + 1966 2 18.503000 -27.507000 6.081000 126 W A 2 "TRP " " CD2" 6 0 0 1 50.2 1966 + 1967 25 19.351000 -28.499000 4.288000 126 W A 2 "TRP " " NE1" 7 0 0 1 54.62 1967 + 1968 2 18.371000 -27.606000 4.661000 126 W A 2 "TRP " " CE2" 6 0 0 1 49.83 1968 + 1969 2 17.624000 -26.623000 6.745000 126 W A 2 "TRP " " CE3" 6 0 0 1 52.48 1969 + 1970 2 17.398000 -26.888000 3.942000 126 W A 2 "TRP " " CZ2" 6 0 0 1 42.31 1970 + 1971 2 16.671000 -25.871000 6.029000 126 W A 2 "TRP " " CZ3" 6 0 0 1 52.95 1971 + 1972 2 16.542000 -26.013000 4.634000 126 W A 2 "TRP " " CH2" 6 0 0 1 43.08 1972 + 1973 43 21.859000 -29.534000 10.180000 126 W A 2 "TRP " " H " 1 0 0 1 61.46 1973 + 1974 41 21.223000 -30.396000 7.462000 126 W A 2 "TRP " " HA " 1 0 0 1 60.62 1974 + 1975 41 20.120000 -27.729000 8.459000 126 W A 2 "TRP " " HB3" 1 0 0 1 51.99 1975 + 1976 41 19.188000 -29.176000 8.372000 126 W A 2 "TRP " " HB2" 1 0 0 1 51.99 1976 + 1977 41 20.856000 -29.682000 5.336000 126 W A 2 "TRP " " HD1" 1 0 0 1 64.63 1977 + 1978 43 19.547000 -28.805000 3.345000 126 W A 2 "TRP " " HE1" 1 0 0 1 54.62 1978 + 1979 41 17.702000 -26.502000 7.815000 126 W A 2 "TRP " " HE3" 1 0 0 1 52.48 1979 + 1980 41 17.317000 -26.995000 2.871000 126 W A 2 "TRP " " HZ2" 1 0 0 1 42.31 1980 + 1981 41 16.048000 -25.166000 6.552000 126 W A 2 "TRP " " HZ3" 1 0 0 1 52.95 1981 + 1982 41 15.804000 -25.439000 4.095000 126 W A 2 "TRP " " HH2" 1 0 0 1 43.08 1982 + 1983 25 23.777000 -29.524000 7.853000 127 P A 2 "PRO " " N " 7 0 0 1 60.29 1983 + 1984 3 25.089000 -28.943000 7.500000 127 P A 2 "PRO " " CA " 6 0 0 1 61.05 1984 + 1985 2 25.277000 -28.554000 6.019000 127 P A 2 "PRO " " C " 6 0 0 1 64.62 1985 + 1986 15 26.191000 -27.782000 5.731000 127 P A 2 "PRO " " O " 8 0 0 1 75.9 1986 + 1987 3 26.095000 -30.027000 7.924000 127 P A 2 "PRO " " CB " 6 0 0 1 63.89 1987 + 1988 3 25.319000 -31.327000 7.795000 127 P A 2 "PRO " " CG " 6 0 0 1 54.57 1988 + 1989 3 23.932000 -30.921000 8.271000 127 P A 2 "PRO " " CD " 6 0 0 1 61.83 1989 + 1990 41 25.259000 -28.043000 8.095000 127 P A 2 "PRO " " HA " 1 0 0 1 61.05 1990 + 1991 41 26.376000 -29.870000 8.966000 127 P A 2 "PRO " " HB3" 1 0 0 1 63.89 1991 + 1992 41 27.015000 -30.033000 7.337000 127 P A 2 "PRO " " HB2" 1 0 0 1 63.89 1992 + 1993 41 25.749000 -32.148000 8.370000 127 P A 2 "PRO " " HG3" 1 0 0 1 54.57 1993 + 1994 41 25.276000 -31.630000 6.748000 127 P A 2 "PRO " " HG2" 1 0 0 1 54.57 1994 + 1995 41 23.165000 -31.595000 7.893000 127 P A 2 "PRO " " HD2" 1 0 0 1 61.83 1995 + 1996 41 23.899000 -30.949000 9.357000 127 P A 2 "PRO " " HD3" 1 0 0 1 61.83 1996 + 1997 25 24.419000 -29.070000 5.121000 128 E A 2 "GLU " " N " 7 0 0 1 66 1997 + 1998 3 24.403000 -28.755000 3.693000 128 E A 2 "GLU " " CA " 6 0 0 1 64.7 1998 + 1999 2 23.882000 -27.338000 3.399000 128 E A 2 "GLU " " C " 6 0 0 1 64.8 1999 + 2000 15 24.273000 -26.778000 2.379000 128 E A 2 "GLU " " O " 8 0 0 1 66.77 2000 + 2001 3 23.544000 -29.772000 2.898000 128 E A 2 "GLU " " CB " 6 0 0 1 71.55 2001 + 2002 3 23.728000 -31.267000 3.241000 128 E A 2 "GLU " " CG " 6 0 0 1 94.15 2002 + 2003 2 22.701000 -31.782000 4.255000 128 E A 2 "GLU " " CD " 6 0 0 1 103.74 2003 + 2004 15 22.736000 -31.301000 5.406000 128 E A 2 "GLU " " OE1" 8 0 0 1 108.39 2004 + 2005 18 21.881000 -32.639000 3.862000 128 E A 2 "GLU " " OE2" 8 -1 0 1 106.23 2005 + 2006 43 23.729000 -29.750000 5.422000 128 E A 2 "GLU " " H " 1 0 0 1 66 2006 + 2007 41 25.431000 -28.823000 3.330000 128 E A 2 "GLU " " HA " 1 0 0 1 64.7 2007 + 2008 41 23.772000 -29.645000 1.838000 128 E A 2 "GLU " " HB3" 1 0 0 1 71.55 2008 + 2009 41 22.486000 -29.511000 2.985000 128 E A 2 "GLU " " HB2" 1 0 0 1 71.55 2009 + 2010 41 24.737000 -31.461000 3.606000 128 E A 2 "GLU " " HG3" 1 0 0 1 94.15 2010 + 2011 41 23.620000 -31.855000 2.329000 128 E A 2 "GLU " " HG2" 1 0 0 1 94.15 2011 + 2012 25 23.000000 -26.804000 4.265000 129 L A 2 "LEU " " N " 7 0 1 1 56.98 2012 + 2013 3 22.241000 -25.572000 4.049000 129 L A 2 "LEU " " CA " 6 0 1 1 53.87 2013 + 2014 2 23.097000 -24.334000 3.766000 129 L A 2 "LEU " " C " 6 0 1 1 58.72 2014 + 2015 15 22.934000 -23.731000 2.709000 129 L A 2 "LEU " " O " 8 0 1 1 62.18 2015 + 2016 3 21.303000 -25.322000 5.248000 129 L A 2 "LEU " " CB " 6 0 1 1 45.3 2016 + 2017 3 20.385000 -24.083000 5.133000 129 L A 2 "LEU " " CG " 6 0 1 1 45.26 2017 + 2018 3 19.475000 -24.140000 3.886000 129 L A 2 "LEU " " CD1" 6 0 1 1 51.97 2018 + 2019 3 19.601000 -23.861000 6.436000 129 L A 2 "LEU " " CD2" 6 0 1 1 45.81 2019 + 2020 43 22.756000 -27.329000 5.094000 129 L A 2 "LEU " " H " 1 0 1 1 56.98 2020 + 2021 41 21.637000 -25.756000 3.160000 129 L A 2 "LEU " " HA " 1 0 1 1 53.87 2021 + 2022 41 21.903000 -25.232000 6.156000 129 L A 2 "LEU " " HB3" 1 0 1 1 45.3 2022 + 2023 41 20.690000 -26.202000 5.393000 129 L A 2 "LEU " " HB2" 1 0 1 1 45.3 2023 + 2024 41 21.018000 -23.203000 5.028000 129 L A 2 "LEU " " HG " 1 0 1 1 45.26 2024 + 2025 41 18.423000 -23.998000 4.117000 129 L A 2 "LEU " "HD11" 1 0 1 1 51.97 2025 + 2026 41 19.744000 -23.368000 3.170000 129 L A 2 "LEU " "HD12" 1 0 1 1 51.97 2026 + 2027 41 19.541000 -25.095000 3.366000 129 L A 2 "LEU " "HD13" 1 0 1 1 51.97 2027 + 2028 41 19.894000 -22.919000 6.897000 129 L A 2 "LEU " "HD21" 1 0 1 1 45.81 2028 + 2029 41 18.527000 -23.817000 6.273000 129 L A 2 "LEU " "HD22" 1 0 1 1 45.81 2029 + 2030 41 19.785000 -24.646000 7.170000 129 L A 2 "LEU " "HD23" 1 0 1 1 45.81 2030 + 2031 25 23.961000 -23.964000 4.722000 130 I A 2 "ILE " " N " 7 0 1 1 59.64 2031 + 2032 3 24.790000 -22.765000 4.635000 130 I A 2 "ILE " " CA " 6 0 1 1 55.65 2032 + 2033 2 25.774000 -22.760000 3.438000 130 I A 2 "ILE " " C " 6 0 1 1 54.72 2033 + 2034 15 25.719000 -21.788000 2.687000 130 I A 2 "ILE " " O " 8 0 1 1 53.49 2034 + 2035 3 25.528000 -22.448000 5.971000 130 I A 2 "ILE " " CB " 6 0 1 1 52.37 2035 + 2036 3 24.541000 -22.265000 7.153000 130 I A 2 "ILE " " CG1" 6 0 1 1 52.73 2036 + 2037 3 26.496000 -21.247000 5.883000 130 I A 2 "ILE " " CG2" 6 0 1 1 36.31 2037 + 2038 3 23.497000 -21.149000 6.981000 130 I A 2 "ILE " " CD1" 6 0 1 1 37.73 2038 + 2039 43 24.045000 -24.516000 5.564000 130 I A 2 "ILE " " H " 1 0 1 1 59.64 2039 + 2040 41 24.098000 -21.940000 4.450000 130 I A 2 "ILE " " HA " 1 0 1 1 55.65 2040 + 2041 41 26.132000 -23.315000 6.234000 130 I A 2 "ILE " " HB " 1 0 1 1 52.37 2041 + 2042 41 25.101000 -22.085000 8.071000 130 I A 2 "ILE " "HG13" 1 0 1 1 52.73 2042 + 2043 41 24.010000 -23.201000 7.326000 130 I A 2 "ILE " "HG12" 1 0 1 1 52.73 2043 + 2044 41 26.872000 -20.975000 6.867000 130 I A 2 "ILE " "HG21" 1 0 1 1 36.31 2044 + 2045 41 27.368000 -21.465000 5.265000 130 I A 2 "ILE " "HG22" 1 0 1 1 36.31 2045 + 2046 41 26.009000 -20.366000 5.466000 130 I A 2 "ILE " "HG23" 1 0 1 1 36.31 2046 + 2047 41 23.102000 -20.840000 7.950000 130 I A 2 "ILE " "HD11" 1 0 1 1 37.73 2047 + 2048 41 23.914000 -20.262000 6.504000 130 I A 2 "ILE " "HD12" 1 0 1 1 37.73 2048 + 2049 41 22.654000 -21.488000 6.379000 130 I A 2 "ILE " "HD13" 1 0 1 1 37.73 2049 + 2050 25 26.574000 -23.832000 3.197000 131 P A 2 "PRO " " N " 7 0 1 1 60.36 2050 + 2051 3 27.428000 -23.890000 1.995000 131 P A 2 "PRO " " CA " 6 0 1 1 67.56 2051 + 2052 2 26.662000 -23.959000 0.657000 131 P A 2 "PRO " " C " 6 0 1 1 66.88 2052 + 2053 15 27.183000 -23.446000 -0.333000 131 P A 2 "PRO " " O " 8 0 1 1 70.29 2053 + 2054 3 28.338000 -25.107000 2.226000 131 P A 2 "PRO " " CB " 6 0 1 1 66.7 2054 + 2055 3 27.561000 -25.993000 3.182000 131 P A 2 "PRO " " CG " 6 0 1 1 72.66 2055 + 2056 3 26.827000 -24.988000 4.063000 131 P A 2 "PRO " " CD " 6 0 1 1 69.63 2056 + 2057 41 28.054000 -22.996000 1.961000 131 P A 2 "PRO " " HA " 1 0 1 1 67.56 2057 + 2058 41 29.261000 -24.777000 2.705000 131 P A 2 "PRO " " HB3" 1 0 1 1 66.7 2058 + 2059 41 28.618000 -25.630000 1.310000 131 P A 2 "PRO " " HB2" 1 0 1 1 66.7 2059 + 2060 41 28.190000 -26.681000 3.746000 131 P A 2 "PRO " " HG3" 1 0 1 1 72.66 2060 + 2061 41 26.844000 -26.588000 2.616000 131 P A 2 "PRO " " HG2" 1 0 1 1 72.66 2061 + 2062 41 25.938000 -25.446000 4.487000 131 P A 2 "PRO " " HD2" 1 0 1 1 69.63 2062 + 2063 41 27.471000 -24.673000 4.884000 131 P A 2 "PRO " " HD3" 1 0 1 1 69.63 2063 + 2064 25 25.440000 -24.528000 0.655000 132 Q A 2 "GLN " " N " 7 0 1 1 60.05 2064 + 2065 3 24.532000 -24.523000 -0.496000 132 Q A 2 "GLN " " CA " 6 0 1 1 65.63 2065 + 2066 2 24.060000 -23.106000 -0.854000 132 Q A 2 "GLN " " C " 6 0 1 1 68.42 2066 + 2067 15 24.240000 -22.702000 -2.000000 132 Q A 2 "GLN " " O " 8 0 1 1 75.16 2067 + 2068 3 23.340000 -25.480000 -0.265000 132 Q A 2 "GLN " " CB " 6 0 1 1 71.57 2068 + 2069 3 22.289000 -25.523000 -1.394000 132 Q A 2 "GLN " " CG " 6 0 1 1 69.8 2069 + 2070 2 22.827000 -26.200000 -2.652000 132 Q A 2 "GLN " " CD " 6 0 1 1 74.53 2070 + 2071 15 22.928000 -27.423000 -2.698000 132 Q A 2 "GLN " " OE1" 8 0 1 1 83.51 2071 + 2072 25 23.172000 -25.420000 -3.676000 132 Q A 2 "GLN " " NE2" 7 0 1 1 61.83 2072 + 2073 43 25.079000 -24.948000 1.501000 132 Q A 2 "GLN " " H " 1 0 1 1 60.05 2073 + 2074 41 25.102000 -24.903000 -1.347000 132 Q A 2 "GLN " " HA " 1 0 1 1 65.63 2074 + 2075 41 22.829000 -25.217000 0.659000 132 Q A 2 "GLN " " HB3" 1 0 1 1 71.57 2075 + 2076 41 23.722000 -26.490000 -0.112000 132 Q A 2 "GLN " " HB2" 1 0 1 1 71.57 2076 + 2077 41 21.886000 -24.537000 -1.626000 132 Q A 2 "GLN " " HG3" 1 0 1 1 69.8 2077 + 2078 41 21.441000 -26.111000 -1.055000 132 Q A 2 "GLN " " HG2" 1 0 1 1 69.8 2078 + 2079 43 23.530000 -25.835000 -4.524000 132 Q A 2 "GLN " "HE22" 1 0 1 1 61.83 2079 + 2080 43 23.081000 -24.413000 -3.624000 132 Q A 2 "GLN " "HE21" 1 0 1 1 61.83 2080 + 2081 25 23.485000 -22.383000 0.126000 133 L A 2 "LEU " " N " 7 0 1 1 65.35 2081 + 2082 3 23.028000 -20.997000 -0.024000 133 L A 2 "LEU " " CA " 6 0 1 1 57.23 2082 + 2083 2 24.162000 -20.065000 -0.475000 133 L A 2 "LEU " " C " 6 0 1 1 61.76 2083 + 2084 15 23.966000 -19.309000 -1.419000 133 L A 2 "LEU " " O " 8 0 1 1 67.21 2084 + 2085 3 22.414000 -20.464000 1.291000 133 L A 2 "LEU " " CB " 6 0 1 1 51.37 2085 + 2086 3 21.079000 -21.098000 1.737000 133 L A 2 "LEU " " CG " 6 0 1 1 52.48 2086 + 2087 3 20.644000 -20.511000 3.097000 133 L A 2 "LEU " " CD1" 6 0 1 1 45.59 2087 + 2088 3 19.955000 -20.971000 0.695000 133 L A 2 "LEU " " CD2" 6 0 1 1 57.18 2088 + 2089 43 23.369000 -22.793000 1.044000 133 L A 2 "LEU " " H " 1 0 1 1 65.35 2089 + 2090 41 22.267000 -20.983000 -0.806000 133 L A 2 "LEU " " HA " 1 0 1 1 57.23 2090 + 2091 41 22.256000 -19.389000 1.201000 133 L A 2 "LEU " " HB3" 1 0 1 1 51.37 2091 + 2092 41 23.147000 -20.585000 2.092000 133 L A 2 "LEU " " HB2" 1 0 1 1 51.37 2092 + 2093 41 21.239000 -22.163000 1.877000 133 L A 2 "LEU " " HG " 1 0 1 1 52.48 2093 + 2094 41 19.677000 -20.011000 3.040000 133 L A 2 "LEU " "HD11" 1 0 1 1 45.59 2094 + 2095 41 20.564000 -21.286000 3.856000 133 L A 2 "LEU " "HD12" 1 0 1 1 45.59 2095 + 2096 41 21.353000 -19.774000 3.475000 133 L A 2 "LEU " "HD13" 1 0 1 1 45.59 2096 + 2097 41 18.973000 -21.120000 1.145000 133 L A 2 "LEU " "HD21" 1 0 1 1 57.18 2097 + 2098 41 19.947000 -19.990000 0.221000 133 L A 2 "LEU " "HD22" 1 0 1 1 57.18 2098 + 2099 41 20.061000 -21.721000 -0.089000 133 L A 2 "LEU " "HD23" 1 0 1 1 57.18 2099 + 2100 25 25.346000 -20.176000 0.150000 134 V A 2 "VAL " " N " 7 0 1 1 54.89 2100 + 2101 3 26.539000 -19.414000 -0.224000 134 V A 2 "VAL " " CA " 6 0 1 1 56 2101 + 2102 2 26.966000 -19.633000 -1.692000 134 V A 2 "VAL " " C " 6 0 1 1 58.23 2102 + 2103 15 27.260000 -18.650000 -2.371000 134 V A 2 "VAL " " O " 8 0 1 1 56.38 2103 + 2104 3 27.721000 -19.712000 0.743000 134 V A 2 "VAL " " CB " 6 0 1 1 58.8 2104 + 2105 3 29.112000 -19.243000 0.260000 134 V A 2 "VAL " " CG1" 6 0 1 1 55.19 2105 + 2106 3 27.429000 -19.112000 2.132000 134 V A 2 "VAL " " CG2" 6 0 1 1 59.4 2106 + 2107 43 25.450000 -20.829000 0.915000 134 V A 2 "VAL " " H " 1 0 1 1 54.89 2107 + 2108 41 26.275000 -18.360000 -0.125000 134 V A 2 "VAL " " HA " 1 0 1 1 56 2108 + 2109 41 27.779000 -20.793000 0.870000 134 V A 2 "VAL " " HB " 1 0 1 1 58.8 2109 + 2110 41 29.866000 -19.390000 1.031000 134 V A 2 "VAL " "HG11" 1 0 1 1 55.19 2110 + 2111 41 29.455000 -19.800000 -0.612000 134 V A 2 "VAL " "HG12" 1 0 1 1 55.19 2111 + 2112 41 29.115000 -18.184000 0.005000 134 V A 2 "VAL " "HG13" 1 0 1 1 55.19 2112 + 2113 41 28.161000 -19.438000 2.869000 134 V A 2 "VAL " "HG21" 1 0 1 1 59.4 2113 + 2114 41 27.448000 -18.024000 2.096000 134 V A 2 "VAL " "HG22" 1 0 1 1 59.4 2114 + 2115 41 26.447000 -19.391000 2.508000 134 V A 2 "VAL " "HG23" 1 0 1 1 59.4 2115 + 2116 25 26.917000 -20.893000 -2.165000 135 A A 2 "ALA " " N " 7 0 1 1 63.87 2116 + 2117 3 27.194000 -21.274000 -3.552000 135 A A 2 "ALA " " CA " 6 0 1 1 60.61 2117 + 2118 2 26.183000 -20.718000 -4.569000 135 A A 2 "ALA " " C " 6 0 1 1 62.11 2118 + 2119 15 26.591000 -20.381000 -5.677000 135 A A 2 "ALA " " O " 8 0 1 1 72.55 2119 + 2120 3 27.288000 -22.803000 -3.659000 135 A A 2 "ALA " " CB " 6 0 1 1 66.03 2120 + 2121 43 26.651000 -21.647000 -1.546000 135 A A 2 "ALA " " H " 1 0 1 1 63.87 2121 + 2122 41 28.173000 -20.870000 -3.811000 135 A A 2 "ALA " " HA " 1 0 1 1 60.61 2122 + 2123 41 27.531000 -23.115000 -4.676000 135 A A 2 "ALA " " HB1" 1 0 1 1 66.03 2123 + 2124 41 28.071000 -23.191000 -3.007000 135 A A 2 "ALA " " HB2" 1 0 1 1 66.03 2124 + 2125 41 26.355000 -23.292000 -3.380000 135 A A 2 "ALA " " HB3" 1 0 1 1 66.03 2125 + 2126 25 24.902000 -20.597000 -4.176000 136 N A 2 "ASN " " N " 7 0 1 1 60.81 2126 + 2127 3 23.831000 -20.036000 -5.012000 136 N A 2 "ASN " " CA " 6 0 1 1 60.19 2127 + 2128 2 24.016000 -18.535000 -5.300000 136 N A 2 "ASN " " C " 6 0 1 1 63.49 2128 + 2129 15 23.519000 -18.080000 -6.330000 136 N A 2 "ASN " " O " 8 0 1 1 76.18 2129 + 2130 3 22.447000 -20.270000 -4.362000 136 N A 2 "ASN " " CB " 6 0 1 1 53.14 2130 + 2131 2 22.014000 -21.730000 -4.200000 136 N A 2 "ASN " " CG " 6 0 1 1 62.53 2131 + 2132 15 22.714000 -22.654000 -4.604000 136 N A 2 "ASN " " OD1" 8 0 1 1 59.16 2132 + 2133 25 20.843000 -21.944000 -3.596000 136 N A 2 "ASN " " ND2" 7 0 1 1 53.49 2133 + 2134 43 24.635000 -20.906000 -3.251000 136 N A 2 "ASN " " H " 1 0 1 1 60.81 2134 + 2135 41 23.860000 -20.569000 -5.964000 136 N A 2 "ASN " " HA " 1 0 1 1 60.19 2135 + 2136 41 21.687000 -19.777000 -4.967000 136 N A 2 "ASN " " HB3" 1 0 1 1 53.14 2136 + 2137 41 22.411000 -19.804000 -3.382000 136 N A 2 "ASN " " HB2" 1 0 1 1 53.14 2137 + 2138 43 20.506000 -22.888000 -3.474000 136 N A 2 "ASN " "HD22" 1 0 1 1 53.49 2138 + 2139 43 20.284000 -21.173000 -3.262000 136 N A 2 "ASN " "HD21" 1 0 1 1 53.49 2139 + 2140 25 24.726000 -17.800000 -4.423000 137 V A 2 "VAL " " N " 7 0 1 1 60.06 2140 + 2141 3 25.033000 -16.386000 -4.643000 137 V A 2 "VAL " " CA " 6 0 1 1 62.53 2141 + 2142 2 26.349000 -16.198000 -5.427000 137 V A 2 "VAL " " C " 6 0 1 1 71.33 2142 + 2143 15 26.408000 -15.311000 -6.278000 137 V A 2 "VAL " " O " 8 0 1 1 74.25 2143 + 2144 3 25.138000 -15.550000 -3.337000 137 V A 2 "VAL " " CB " 6 0 1 1 60.04 2144 + 2145 3 25.162000 -14.038000 -3.640000 137 V A 2 "VAL " " CG1" 6 0 1 1 54.06 2145 + 2146 3 23.995000 -15.841000 -2.358000 137 V A 2 "VAL " " CG2" 6 0 1 1 65.73 2146 + 2147 43 25.105000 -18.229000 -3.590000 137 V A 2 "VAL " " H " 1 0 1 1 60.06 2147 + 2148 41 24.227000 -15.947000 -5.226000 137 V A 2 "VAL " " HA " 1 0 1 1 62.53 2148 + 2149 41 26.065000 -15.796000 -2.815000 137 V A 2 "VAL " " HB " 1 0 1 1 60.04 2149 + 2150 41 24.924000 -13.446000 -2.760000 137 V A 2 "VAL " "HG11" 1 0 1 1 54.06 2150 + 2151 41 26.135000 -13.711000 -4.007000 137 V A 2 "VAL " "HG12" 1 0 1 1 54.06 2151 + 2152 41 24.417000 -13.771000 -4.391000 137 V A 2 "VAL " "HG13" 1 0 1 1 54.06 2152 + 2153 41 24.021000 -15.172000 -1.500000 137 V A 2 "VAL " "HG21" 1 0 1 1 65.73 2153 + 2154 41 23.023000 -15.733000 -2.840000 137 V A 2 "VAL " "HG22" 1 0 1 1 65.73 2154 + 2155 41 24.085000 -16.848000 -1.961000 137 V A 2 "VAL " "HG23" 1 0 1 1 65.73 2155 + 2156 25 27.372000 -17.018000 -5.124000 138 T A 2 "THR " " N " 7 0 1 1 72.16 2156 + 2157 3 28.733000 -16.860000 -5.646000 138 T A 2 "THR " " CA " 6 0 1 1 74.02 2157 + 2158 2 29.007000 -17.597000 -6.977000 138 T A 2 "THR " " C " 6 0 1 1 78.43 2158 + 2159 15 30.004000 -17.259000 -7.615000 138 T A 2 "THR " " O " 8 0 1 1 84.5 2159 + 2160 3 29.789000 -17.320000 -4.607000 138 T A 2 "THR " " CB " 6 0 1 1 70.65 2160 + 2161 16 29.659000 -18.696000 -4.298000 138 T A 2 "THR " " OG1" 8 0 1 1 76.13 2161 + 2162 3 29.769000 -16.494000 -3.310000 138 T A 2 "THR " " CG2" 6 0 1 1 73.96 2162 + 2163 43 27.254000 -17.736000 -4.422000 138 T A 2 "THR " " H " 1 0 1 1 72.16 2163 + 2164 41 28.910000 -15.800000 -5.838000 138 T A 2 "THR " " HA " 1 0 1 1 74.02 2164 + 2165 41 30.783000 -17.199000 -5.040000 138 T A 2 "THR " " HB " 1 0 1 1 70.65 2165 + 2166 42 30.219000 -18.893000 -3.544000 138 T A 2 "THR " " HG1" 1 0 1 1 76.13 2166 + 2167 41 30.530000 -16.838000 -2.608000 138 T A 2 "THR " "HG21" 1 0 1 1 73.96 2167 + 2168 41 29.966000 -15.442000 -3.516000 138 T A 2 "THR " "HG22" 1 0 1 1 73.96 2168 + 2169 41 28.806000 -16.550000 -2.803000 138 T A 2 "THR " "HG23" 1 0 1 1 73.96 2169 + 2170 25 28.136000 -18.525000 -7.418000 139 N A 2 "ASN " " N " 7 0 0 1 81.97 2170 + 2171 3 28.196000 -19.113000 -8.765000 139 N A 2 "ASN " " CA " 6 0 0 1 88.93 2171 + 2172 2 27.808000 -18.020000 -9.791000 139 N A 2 "ASN " " C " 6 0 0 1 93.91 2172 + 2173 15 26.712000 -17.475000 -9.669000 139 N A 2 "ASN " " O " 8 0 0 1 95.54 2173 + 2174 3 27.250000 -20.343000 -8.811000 139 N A 2 "ASN " " CB " 6 0 0 1 93.86 2174 + 2175 2 27.031000 -20.962000 -10.206000 139 N A 2 "ASN " " CG " 6 0 0 1 102.23 2175 + 2176 15 27.883000 -20.874000 -11.088000 139 N A 2 "ASN " " OD1" 8 0 0 1 110.48 2176 + 2177 25 25.882000 -21.609000 -10.408000 139 N A 2 "ASN " " ND2" 7 0 0 1 101.39 2177 + 2178 43 27.347000 -18.790000 -6.844000 139 N A 2 "ASN " " H " 1 0 0 1 81.97 2178 + 2179 41 29.218000 -19.476000 -8.863000 139 N A 2 "ASN " " HA " 1 0 0 1 88.93 2179 + 2180 41 26.279000 -20.068000 -8.401000 139 N A 2 "ASN " " HB3" 1 0 0 1 93.86 2180 + 2181 41 27.641000 -21.125000 -8.159000 139 N A 2 "ASN " " HB2" 1 0 0 1 93.86 2181 + 2182 43 25.693000 -22.042000 -11.300000 139 N A 2 "ASN " "HD22" 1 0 0 1 101.39 2182 + 2183 43 25.184000 -21.647000 -9.680000 139 N A 2 "ASN " "HD21" 1 0 0 1 101.39 2183 + 2184 25 28.695000 -17.702000 -10.762000 140 P A 2 "PRO " " N " 7 0 0 1 94.15 2184 + 2185 3 28.413000 -16.659000 -11.767000 140 P A 2 "PRO " " CA " 6 0 0 1 90.12 2185 + 2186 2 27.264000 -16.993000 -12.741000 140 P A 2 "PRO " " C " 6 0 0 1 88.34 2186 + 2187 15 26.603000 -16.068000 -13.209000 140 P A 2 "PRO " " O " 8 0 0 1 89.82 2187 + 2188 3 29.756000 -16.484000 -12.495000 140 P A 2 "PRO " " CB " 6 0 0 1 84.61 2188 + 2189 3 30.440000 -17.834000 -12.363000 140 P A 2 "PRO " " CG " 6 0 0 1 87.11 2189 + 2190 3 30.018000 -18.296000 -10.974000 140 P A 2 "PRO " " CD " 6 0 0 1 85.85 2190 + 2191 41 28.157000 -15.726000 -11.262000 140 P A 2 "PRO " " HA " 1 0 0 1 90.12 2191 + 2192 41 30.346000 -15.724000 -11.981000 140 P A 2 "PRO " " HB3" 1 0 0 1 84.61 2192 + 2193 41 29.656000 -16.168000 -13.535000 140 P A 2 "PRO " " HB2" 1 0 0 1 84.61 2193 + 2194 41 31.521000 -17.788000 -12.493000 140 P A 2 "PRO " " HG3" 1 0 0 1 87.11 2194 + 2195 41 30.039000 -18.519000 -13.112000 140 P A 2 "PRO " " HG2" 1 0 0 1 87.11 2195 + 2196 41 30.026000 -19.384000 -10.917000 140 P A 2 "PRO " " HD2" 1 0 0 1 85.85 2196 + 2197 41 30.702000 -17.907000 -10.218000 140 P A 2 "PRO " " HD3" 1 0 0 1 85.85 2197 + 2198 25 27.024000 -18.294000 -12.993000 141 N A 2 "ASN " " N " 7 0 0 1 88.52 2198 + 2199 3 25.918000 -18.799000 -13.817000 141 N A 2 "ASN " " CA " 6 0 0 1 92.39 2199 + 2200 2 24.568000 -18.836000 -13.074000 141 N A 2 "ASN " " C " 6 0 0 1 91.92 2200 + 2201 15 23.578000 -19.212000 -13.702000 141 N A 2 "ASN " " O " 8 0 0 1 92.57 2201 + 2202 3 26.283000 -20.200000 -14.370000 141 N A 2 "ASN " " CB " 6 0 0 1 99.51 2202 + 2203 2 27.341000 -20.198000 -15.480000 141 N A 2 "ASN " " CG " 6 0 0 1 107.47 2203 + 2204 15 27.715000 -19.156000 -16.013000 141 N A 2 "ASN " " OD1" 8 0 0 1 116.89 2204 + 2205 25 27.812000 -21.389000 -15.856000 141 N A 2 "ASN " " ND2" 7 0 0 1 103.72 2205 + 2206 43 27.608000 -18.997000 -12.560000 141 N A 2 "ASN " " H " 1 0 0 1 88.52 2206 + 2207 41 25.813000 -18.107000 -14.654000 141 N A 2 "ASN " " HA " 1 0 0 1 92.39 2207 + 2208 41 25.403000 -20.664000 -14.817000 141 N A 2 "ASN " " HB3" 1 0 0 1 99.51 2208 + 2209 41 26.595000 -20.861000 -13.560000 141 N A 2 "ASN " " HB2" 1 0 0 1 99.51 2209 + 2210 43 28.502000 -21.447000 -16.590000 141 N A 2 "ASN " "HD22" 1 0 0 1 103.72 2210 + 2211 43 27.486000 -22.235000 -15.412000 141 N A 2 "ASN " "HD21" 1 0 0 1 103.72 2211 + 2212 25 24.517000 -18.437000 -11.788000 142 S A 2 "SER " " N " 7 0 0 1 91.01 2212 + 2213 3 23.263000 -18.291000 -11.050000 142 S A 2 "SER " " CA " 6 0 0 1 85.37 2213 + 2214 2 22.426000 -17.125000 -11.591000 142 S A 2 "SER " " C " 6 0 0 1 78.4 2214 + 2215 15 22.944000 -16.022000 -11.775000 142 S A 2 "SER " " O " 8 0 0 1 78.7 2215 + 2216 3 23.520000 -18.081000 -9.549000 142 S A 2 "SER " " CB " 6 0 0 1 85.87 2216 + 2217 16 23.881000 -19.301000 -8.940000 142 S A 2 "SER " " OG " 8 0 0 1 86.3 2217 + 2218 43 25.356000 -18.135000 -11.313000 142 S A 2 "SER " " H " 1 0 0 1 91.01 2218 + 2219 41 22.687000 -19.212000 -11.171000 142 S A 2 "SER " " HA " 1 0 0 1 85.37 2219 + 2220 41 22.610000 -17.740000 -9.051000 142 S A 2 "SER " " HB3" 1 0 0 1 85.87 2220 + 2221 41 24.267000 -17.313000 -9.362000 142 S A 2 "SER " " HB2" 1 0 0 1 85.87 2221 + 2222 42 23.983000 -19.136000 -7.998000 142 S A 2 "SER " " HG " 1 0 0 1 86.3 2222 + 2223 25 21.133000 -17.412000 -11.788000 143 T A 2 "THR " " N " 7 0 0 1 71.56 2223 + 2224 3 20.077000 -16.471000 -12.158000 143 T A 2 "THR " " CA " 6 0 0 1 68.99 2224 + 2225 2 19.910000 -15.325000 -11.133000 143 T A 2 "THR " " C " 6 0 0 1 71.11 2225 + 2226 15 20.291000 -15.481000 -9.972000 143 T A 2 "THR " " O " 8 0 0 1 68.57 2226 + 2227 3 18.718000 -17.220000 -12.413000 143 T A 2 "THR " " CB " 6 0 0 1 62.26 2227 + 2228 16 17.624000 -16.856000 -11.589000 143 T A 2 "THR " " OG1" 8 0 0 1 68.8 2228 + 2229 3 18.792000 -18.759000 -12.476000 143 T A 2 "THR " " CG2" 6 0 0 1 73.63 2229 + 2230 43 20.817000 -18.355000 -11.612000 143 T A 2 "THR " " H " 1 0 0 1 71.56 2230 + 2231 41 20.391000 -16.013000 -13.098000 143 T A 2 "THR " " HA " 1 0 0 1 68.99 2231 + 2232 41 18.400000 -16.907000 -13.408000 143 T A 2 "THR " " HB " 1 0 0 1 62.26 2232 + 2233 42 16.897000 -17.460000 -11.767000 143 T A 2 "THR " " HG1" 1 0 0 1 68.8 2233 + 2234 41 17.825000 -19.189000 -12.737000 143 T A 2 "THR " "HG21" 1 0 0 1 73.63 2234 + 2235 41 19.504000 -19.089000 -13.234000 143 T A 2 "THR " "HG22" 1 0 0 1 73.63 2235 + 2236 41 19.092000 -19.192000 -11.521000 143 T A 2 "THR " "HG23" 1 0 0 1 73.63 2236 + 2237 25 19.328000 -14.196000 -11.567000 144 E A 2 "GLU " " N " 7 0 1 1 75.83 2237 + 2238 3 19.030000 -13.059000 -10.688000 144 E A 2 "GLU " " CA " 6 0 1 1 80.42 2238 + 2239 2 18.005000 -13.398000 -9.596000 144 E A 2 "GLU " " C " 6 0 1 1 79.71 2239 + 2240 15 18.208000 -13.007000 -8.448000 144 E A 2 "GLU " " O " 8 0 1 1 80.83 2240 + 2241 3 18.573000 -11.845000 -11.523000 144 E A 2 "GLU " " CB " 6 0 1 1 92.39 2241 + 2242 3 19.613000 -11.345000 -12.549000 144 E A 2 "GLU " " CG " 6 0 1 1 113.56 2242 + 2243 2 20.943000 -10.946000 -11.908000 144 E A 2 "GLU " " CD " 6 0 1 1 118.96 2243 + 2244 15 20.887000 -10.213000 -10.901000 144 E A 2 "GLU " " OE1" 8 0 1 1 118.77 2244 + 2245 18 21.993000 -11.405000 -12.407000 144 E A 2 "GLU " " OE2" 8 -1 1 1 125.4 2245 + 2246 43 19.046000 -14.106000 -12.531000 144 E A 2 "GLU " " H " 1 0 1 1 75.83 2246 + 2247 41 19.950000 -12.799000 -10.164000 144 E A 2 "GLU " " HA " 1 0 1 1 80.42 2247 + 2248 41 18.306000 -11.023000 -10.856000 144 E A 2 "GLU " " HB3" 1 0 1 1 92.39 2248 + 2249 41 17.654000 -12.095000 -12.056000 144 E A 2 "GLU " " HB2" 1 0 1 1 92.39 2249 + 2250 41 19.218000 -10.475000 -13.074000 144 E A 2 "GLU " " HG3" 1 0 1 1 113.56 2250 + 2251 41 19.792000 -12.106000 -13.309000 144 E A 2 "GLU " " HG2" 1 0 1 1 113.56 2251 + 2252 25 16.966000 -14.172000 -9.957000 145 H A 2 "HIS " " N " 7 0 1 1 71.59 2252 + 2253 3 15.976000 -14.702000 -9.019000 145 H A 2 "HIS " " CA " 6 0 1 1 66.58 2253 + 2254 2 16.585000 -15.699000 -8.022000 145 H A 2 "HIS " " C " 6 0 1 1 62.98 2254 + 2255 15 16.150000 -15.714000 -6.875000 145 H A 2 "HIS " " O " 8 0 1 1 56.79 2255 + 2256 3 14.790000 -15.344000 -9.769000 145 H A 2 "HIS " " CB " 6 0 1 1 73.04 2256 + 2257 2 13.898000 -14.377000 -10.513000 145 H A 2 "HIS " " CG " 6 0 1 1 79.58 2257 + 2258 25 12.530000 -14.564000 -10.613000 145 H A 2 "HIS " " ND1" 7 0 1 1 83.95 2258 + 2259 2 14.157000 -13.198000 -11.180000 145 H A 2 "HIS " " CD2" 6 0 1 1 80.4 2259 + 2260 2 12.038000 -13.531000 -11.301000 145 H A 2 "HIS " " CE1" 6 0 1 1 89.11 2260 + 2261 25 12.967000 -12.660000 -11.675000 145 H A 2 "HIS " " NE2" 7 0 1 1 86.09 2261 + 2262 43 16.887000 -14.484000 -10.915000 145 H A 2 "HIS " " H " 1 0 1 1 71.59 2262 + 2263 41 15.588000 -13.867000 -8.433000 145 H A 2 "HIS " " HA " 1 0 1 1 66.58 2263 + 2264 41 14.158000 -15.882000 -9.060000 145 H A 2 "HIS " " HB3" 1 0 1 1 73.04 2264 + 2265 41 15.147000 -16.092000 -10.477000 145 H A 2 "HIS " " HB2" 1 0 1 1 73.04 2265 + 2266 43 11.990000 -15.317000 -10.205000 145 H A 2 "HIS " " HD1" 1 0 1 1 83.95 2266 + 2267 41 15.096000 -12.687000 -11.331000 145 H A 2 "HIS " " HD2" 1 0 1 1 80.4 2267 + 2268 41 10.987000 -13.411000 -11.518000 145 H A 2 "HIS " " HE1" 1 0 1 1 89.11 2268 + 2269 25 17.572000 -16.500000 -8.468000 146 M A 2 "MET " " N " 7 0 1 1 64.99 2269 + 2270 3 18.315000 -17.457000 -7.645000 146 M A 2 "MET " " CA " 6 0 1 1 69.83 2270 + 2271 2 19.107000 -16.758000 -6.532000 146 M A 2 "MET " " C " 6 0 1 1 68.41 2271 + 2272 15 18.939000 -17.117000 -5.368000 146 M A 2 "MET " " O " 8 0 1 1 62.52 2272 + 2273 3 19.174000 -18.365000 -8.560000 146 M A 2 "MET " " CB " 6 0 1 1 67.04 2273 + 2274 3 20.209000 -19.302000 -7.906000 146 M A 2 "MET " " CG " 6 0 1 1 60.84 2274 + 2275 49 19.579000 -20.896000 -7.320000 146 M A 2 "MET " " SD " 16 0 1 1 63.97 2275 + 2276 3 18.799000 -20.407000 -5.772000 146 M A 2 "MET " " CE " 6 0 1 1 90.15 2276 + 2277 43 17.863000 -16.427000 -9.434000 146 M A 2 "MET " " H " 1 0 1 1 64.99 2277 + 2278 41 17.576000 -18.081000 -7.149000 146 M A 2 "MET " " HA " 1 0 1 1 69.83 2278 + 2279 41 19.712000 -17.754000 -9.278000 146 M A 2 "MET " " HB3" 1 0 1 1 67.04 2279 + 2280 41 18.498000 -18.970000 -9.165000 146 M A 2 "MET " " HB2" 1 0 1 1 67.04 2280 + 2281 41 20.769000 -18.814000 -7.109000 146 M A 2 "MET " " HG3" 1 0 1 1 60.84 2281 + 2282 41 20.953000 -19.549000 -8.663000 146 M A 2 "MET " " HG2" 1 0 1 1 60.84 2282 + 2283 41 18.565000 -21.293000 -5.187000 146 M A 2 "MET " " HE1" 1 0 1 1 90.15 2283 + 2284 41 19.470000 -19.778000 -5.199000 146 M A 2 "MET " " HE2" 1 0 1 1 90.15 2284 + 2285 41 17.885000 -19.853000 -5.951000 146 M A 2 "MET " " HE3" 1 0 1 1 90.15 2285 + 2286 25 19.900000 -15.741000 -6.911000 147 K A 2 "LYS " " N " 7 0 1 1 59.62 2286 + 2287 3 20.651000 -14.886000 -5.992000 147 K A 2 "LYS " " CA " 6 0 1 1 56.8 2287 + 2288 2 19.748000 -14.135000 -4.999000 147 K A 2 "LYS " " C " 6 0 1 1 58.09 2288 + 2289 15 20.091000 -14.089000 -3.820000 147 K A 2 "LYS " " O " 8 0 1 1 60.76 2289 + 2290 3 21.519000 -13.893000 -6.790000 147 K A 2 "LYS " " CB " 6 0 1 1 52.78 2290 + 2291 3 22.651000 -14.560000 -7.595000 147 K A 2 "LYS " " CG " 6 0 1 1 56.05 2291 + 2292 3 23.583000 -13.558000 -8.294000 147 K A 2 "LYS " " CD " 6 0 1 1 52.05 2292 + 2293 3 22.893000 -12.793000 -9.433000 147 K A 2 "LYS " " CE " 6 0 1 1 66.17 2293 + 2294 32 23.801000 -11.843000 -10.091000 147 K A 2 "LYS " " NZ " 7 1 1 1 79.83 2294 + 2295 43 19.967000 -15.506000 -7.893000 147 K A 2 "LYS " " H " 1 0 1 1 59.62 2295 + 2296 41 21.313000 -15.534000 -5.414000 147 K A 2 "LYS " " HA " 1 0 1 1 56.8 2296 + 2297 41 21.974000 -13.183000 -6.097000 147 K A 2 "LYS " " HB3" 1 0 1 1 52.78 2297 + 2298 41 20.880000 -13.304000 -7.449000 147 K A 2 "LYS " " HB2" 1 0 1 1 52.78 2298 + 2299 41 22.239000 -15.245000 -8.335000 147 K A 2 "LYS " " HG3" 1 0 1 1 56.05 2299 + 2300 41 23.246000 -15.182000 -6.935000 147 K A 2 "LYS " " HG2" 1 0 1 1 56.05 2300 + 2301 41 24.449000 -14.094000 -8.684000 147 K A 2 "LYS " " HD3" 1 0 1 1 52.05 2301 + 2302 41 23.972000 -12.851000 -7.559000 147 K A 2 "LYS " " HD2" 1 0 1 1 52.05 2302 + 2303 41 22.041000 -12.224000 -9.062000 147 K A 2 "LYS " " HE3" 1 0 1 1 66.17 2303 + 2304 41 22.516000 -13.490000 -10.182000 147 K A 2 "LYS " " HE2" 1 0 1 1 66.17 2304 + 2305 44 24.077000 -11.119000 -9.433000 147 K A 2 "LYS " " HZ1" 1 0 1 1 79.83 2305 + 2306 44 24.615000 -12.321000 -10.446000 147 K A 2 "LYS " " HZ2" 1 0 1 1 79.83 2306 + 2307 44 23.300000 -11.408000 -10.859000 147 K A 2 "LYS " " HZ3" 1 0 1 1 79.83 2307 + 2308 25 18.608000 -13.599000 -5.474000 148 E A 2 "GLU " " N " 7 0 1 1 57.94 2308 + 2309 3 17.652000 -12.854000 -4.654000 148 E A 2 "GLU " " CA " 6 0 1 1 58.26 2309 + 2310 2 16.930000 -13.734000 -3.619000 148 E A 2 "GLU " " C " 6 0 1 1 58.53 2310 + 2311 15 16.939000 -13.377000 -2.442000 148 E A 2 "GLU " " O " 8 0 1 1 65.04 2311 + 2312 3 16.658000 -12.088000 -5.546000 148 E A 2 "GLU " " CB " 6 0 1 1 59.69 2312 + 2313 3 15.728000 -11.165000 -4.734000 148 E A 2 "GLU " " CG " 6 0 1 1 66.58 2313 + 2314 2 14.726000 -10.381000 -5.572000 148 E A 2 "GLU " " CD " 6 0 1 1 77.36 2314 + 2315 15 14.756000 -10.497000 -6.818000 148 E A 2 "GLU " " OE1" 8 0 1 1 77.33 2315 + 2316 18 13.943000 -9.646000 -4.933000 148 E A 2 "GLU " " OE2" 8 -1 1 1 73.54 2316 + 2317 43 18.391000 -13.673000 -6.459000 148 E A 2 "GLU " " H " 1 0 1 1 57.94 2317 + 2318 41 18.228000 -12.108000 -4.101000 148 E A 2 "GLU " " HA " 1 0 1 1 58.26 2318 + 2319 41 16.065000 -12.794000 -6.129000 148 E A 2 "GLU " " HB3" 1 0 1 1 59.69 2319 + 2320 41 17.204000 -11.485000 -6.270000 148 E A 2 "GLU " " HB2" 1 0 1 1 59.69 2320 + 2321 41 16.325000 -10.454000 -4.162000 148 E A 2 "GLU " " HG3" 1 0 1 1 66.58 2321 + 2322 41 15.148000 -11.737000 -4.010000 148 E A 2 "GLU " " HG2" 1 0 1 1 66.58 2322 + 2323 25 16.346000 -14.862000 -4.067000 149 S A 2 "SER " " N " 7 0 1 1 64.17 2323 + 2324 3 15.657000 -15.853000 -3.229000 149 S A 2 "SER " " CA " 6 0 1 1 68.55 2324 + 2325 2 16.542000 -16.387000 -2.090000 149 S A 2 "SER " " C " 6 0 1 1 65.22 2325 + 2326 15 16.081000 -16.501000 -0.957000 149 S A 2 "SER " " O " 8 0 1 1 58.26 2326 + 2327 3 15.178000 -17.034000 -4.099000 149 S A 2 "SER " " CB " 6 0 1 1 77.78 2327 + 2328 16 13.972000 -16.749000 -4.776000 149 S A 2 "SER " " OG " 8 0 1 1 93.36 2328 + 2329 43 16.368000 -15.071000 -5.057000 149 S A 2 "SER " " H " 1 0 1 1 64.17 2329 + 2330 41 14.792000 -15.370000 -2.768000 149 S A 2 "SER " " HA " 1 0 1 1 68.55 2330 + 2331 41 14.975000 -17.896000 -3.470000 149 S A 2 "SER " " HB3" 1 0 1 1 77.78 2331 + 2332 41 15.946000 -17.347000 -4.807000 149 S A 2 "SER " " HB2" 1 0 1 1 77.78 2332 + 2333 42 13.250000 -16.752000 -4.141000 149 S A 2 "SER " " HG " 1 0 1 1 93.36 2333 + 2334 25 17.810000 -16.667000 -2.420000 150 T A 2 "THR " " N " 7 0 1 1 64.21 2334 + 2335 3 18.842000 -17.110000 -1.493000 150 T A 2 "THR " " CA " 6 0 1 1 62.92 2335 + 2336 2 19.269000 -16.016000 -0.498000 150 T A 2 "THR " " C " 6 0 1 1 64.86 2336 + 2337 15 19.426000 -16.337000 0.676000 150 T A 2 "THR " " O " 8 0 1 1 63.12 2337 + 2338 3 20.086000 -17.544000 -2.293000 150 T A 2 "THR " " CB " 6 0 1 1 60.24 2338 + 2339 16 19.797000 -18.768000 -2.930000 150 T A 2 "THR " " OG1" 8 0 1 1 62.28 2339 + 2340 3 21.389000 -17.738000 -1.519000 150 T A 2 "THR " " CG2" 6 0 1 1 50.5 2340 + 2341 43 18.106000 -16.558000 -3.381000 150 T A 2 "THR " " H " 1 0 1 1 64.21 2341 + 2342 41 18.458000 -17.960000 -0.925000 150 T A 2 "THR " " HA " 1 0 1 1 62.92 2342 + 2343 41 20.281000 -16.807000 -3.075000 150 T A 2 "THR " " HB " 1 0 1 1 60.24 2343 + 2344 42 20.526000 -18.972000 -3.520000 150 T A 2 "THR " " HG1" 1 0 1 1 62.28 2344 + 2345 41 22.161000 -17.975000 -2.241000 150 T A 2 "THR " "HG21" 1 0 1 1 50.5 2345 + 2346 41 21.724000 -16.840000 -1.002000 150 T A 2 "THR " "HG22" 1 0 1 1 50.5 2346 + 2347 41 21.322000 -18.545000 -0.795000 150 T A 2 "THR " "HG23" 1 0 1 1 50.5 2347 + 2348 25 19.466000 -14.770000 -0.961000 151 L A 2 "LEU " " N " 7 0 1 1 58.37 2348 + 2349 3 19.876000 -13.647000 -0.108000 151 L A 2 "LEU " " CA " 6 0 1 1 59.22 2349 + 2350 2 18.782000 -13.210000 0.876000 151 L A 2 "LEU " " C " 6 0 1 1 55.92 2350 + 2351 15 19.123000 -12.806000 1.987000 151 L A 2 "LEU " " O " 8 0 1 1 56.73 2351 + 2352 3 20.376000 -12.475000 -0.974000 151 L A 2 "LEU " " CB " 6 0 1 1 54.19 2352 + 2353 3 21.821000 -12.689000 -1.473000 151 L A 2 "LEU " " CG " 6 0 1 1 54.98 2353 + 2354 3 22.127000 -11.823000 -2.705000 151 L A 2 "LEU " " CD1" 6 0 1 1 59.28 2354 + 2355 3 22.850000 -12.470000 -0.340000 151 L A 2 "LEU " " CD2" 6 0 1 1 69.59 2355 + 2356 43 19.340000 -14.565000 -1.944000 151 L A 2 "LEU " " H " 1 0 1 1 58.37 2356 + 2357 41 20.708000 -13.995000 0.506000 151 L A 2 "LEU " " HA " 1 0 1 1 59.22 2357 + 2358 41 20.337000 -11.537000 -0.419000 151 L A 2 "LEU " " HB3" 1 0 1 1 54.19 2358 + 2359 41 19.693000 -12.342000 -1.815000 151 L A 2 "LEU " " HB2" 1 0 1 1 54.19 2359 + 2360 41 21.914000 -13.727000 -1.795000 151 L A 2 "LEU " " HG " 1 0 1 1 54.98 2360 + 2361 41 23.120000 -11.388000 -2.658000 151 L A 2 "LEU " "HD11" 1 0 1 1 59.28 2361 + 2362 41 22.105000 -12.422000 -3.615000 151 L A 2 "LEU " "HD12" 1 0 1 1 59.28 2362 + 2363 41 21.410000 -11.011000 -2.820000 151 L A 2 "LEU " "HD13" 1 0 1 1 59.28 2363 + 2364 41 23.504000 -11.621000 -0.534000 151 L A 2 "LEU " "HD21" 1 0 1 1 69.59 2364 + 2365 41 22.372000 -12.277000 0.621000 151 L A 2 "LEU " "HD22" 1 0 1 1 69.59 2365 + 2366 41 23.487000 -13.343000 -0.208000 151 L A 2 "LEU " "HD23" 1 0 1 1 69.59 2366 + 2367 25 17.503000 -13.374000 0.493000 152 E A 2 "GLU " " N " 7 0 1 1 58 2367 + 2368 3 16.365000 -13.299000 1.408000 152 E A 2 "GLU " " CA " 6 0 1 1 56.77 2368 + 2369 2 16.403000 -14.416000 2.466000 152 E A 2 "GLU " " C " 6 0 1 1 62.64 2369 + 2370 15 16.236000 -14.113000 3.644000 152 E A 2 "GLU " " O " 8 0 1 1 71.13 2370 + 2371 3 15.032000 -13.341000 0.635000 152 E A 2 "GLU " " CB " 6 0 1 1 64.32 2371 + 2372 3 14.699000 -12.056000 -0.143000 152 E A 2 "GLU " " CG " 6 0 1 1 62.46 2372 + 2373 2 13.337000 -12.137000 -0.840000 152 E A 2 "GLU " " CD " 6 0 1 1 80.99 2373 + 2374 15 12.386000 -12.650000 -0.209000 152 E A 2 "GLU " " OE1" 8 0 1 1 92.9 2374 + 2375 18 13.261000 -11.671000 -1.996000 152 E A 2 "GLU " " OE2" 8 -1 1 1 82.41 2375 + 2376 43 17.298000 -13.676000 -0.450000 152 E A 2 "GLU " " H " 1 0 1 1 58 2376 + 2377 41 16.419000 -12.347000 1.940000 152 E A 2 "GLU " " HA " 1 0 1 1 56.77 2377 + 2378 41 14.223000 -13.550000 1.338000 152 E A 2 "GLU " " HB3" 1 0 1 1 64.32 2378 + 2379 41 15.049000 -14.172000 -0.070000 152 E A 2 "GLU " " HB2" 1 0 1 1 64.32 2379 + 2380 41 15.470000 -11.851000 -0.884000 152 E A 2 "GLU " " HG3" 1 0 1 1 62.46 2380 + 2381 41 14.682000 -11.203000 0.535000 152 E A 2 "GLU " " HG2" 1 0 1 1 62.46 2381 + 2382 25 16.655000 -15.669000 2.042000 153 A A 2 "ALA " " N " 7 0 1 1 55.19 2382 + 2383 3 16.735000 -16.841000 2.919000 153 A A 2 "ALA " " CA " 6 0 1 1 56.41 2383 + 2384 2 17.876000 -16.751000 3.947000 153 A A 2 "ALA " " C " 6 0 1 1 60.88 2384 + 2385 15 17.636000 -17.039000 5.118000 153 A A 2 "ALA " " O " 8 0 1 1 57.59 2385 + 2386 3 16.841000 -18.120000 2.075000 153 A A 2 "ALA " " CB " 6 0 1 1 56.74 2386 + 2387 43 16.768000 -15.846000 1.053000 153 A A 2 "ALA " " H " 1 0 1 1 55.19 2387 + 2388 41 15.796000 -16.890000 3.474000 153 A A 2 "ALA " " HA " 1 0 1 1 56.41 2388 + 2389 41 16.745000 -19.003000 2.703000 153 A A 2 "ALA " " HB1" 1 0 1 1 56.74 2389 + 2390 41 16.047000 -18.167000 1.330000 153 A A 2 "ALA " " HB2" 1 0 1 1 56.74 2390 + 2391 41 17.792000 -18.192000 1.550000 153 A A 2 "ALA " " HB3" 1 0 1 1 56.74 2391 + 2392 25 19.062000 -16.287000 3.509000 154 I A 2 "ILE " " N " 7 0 1 1 58.22 2392 + 2393 3 20.208000 -15.950000 4.358000 154 I A 2 "ILE " " CA " 6 0 1 1 46.81 2393 + 2394 2 19.858000 -14.864000 5.393000 154 I A 2 "ILE " " C " 6 0 1 1 52.6 2394 + 2395 15 20.203000 -15.034000 6.559000 154 I A 2 "ILE " " O " 8 0 1 1 45.16 2395 + 2396 3 21.454000 -15.501000 3.524000 154 I A 2 "ILE " " CB " 6 0 1 1 48.94 2396 + 2397 3 22.068000 -16.703000 2.767000 154 I A 2 "ILE " " CG1" 6 0 1 1 49.92 2397 + 2398 3 22.565000 -14.785000 4.332000 154 I A 2 "ILE " " CG2" 6 0 1 1 39.39 2398 + 2399 3 23.107000 -16.317000 1.700000 154 I A 2 "ILE " " CD1" 6 0 1 1 51.42 2399 + 2400 43 19.173000 -16.091000 2.521000 154 I A 2 "ILE " " H " 1 0 1 1 58.22 2400 + 2401 41 20.473000 -16.854000 4.911000 154 I A 2 "ILE " " HA " 1 0 1 1 46.81 2401 + 2402 41 21.102000 -14.793000 2.773000 154 I A 2 "ILE " " HB " 1 0 1 1 48.94 2402 + 2403 41 21.283000 -17.286000 2.286000 154 I A 2 "ILE " "HG13" 1 0 1 1 49.92 2403 + 2404 41 22.532000 -17.382000 3.484000 154 I A 2 "ILE " "HG12" 1 0 1 1 49.92 2404 + 2405 41 23.423000 -14.544000 3.708000 154 I A 2 "ILE " "HG21" 1 0 1 1 39.39 2405 + 2406 41 22.232000 -13.839000 4.756000 154 I A 2 "ILE " "HG22" 1 0 1 1 39.39 2406 + 2407 41 22.919000 -15.413000 5.151000 154 I A 2 "ILE " "HG23" 1 0 1 1 39.39 2407 + 2408 41 23.212000 -17.107000 0.957000 154 I A 2 "ILE " "HD11" 1 0 1 1 51.42 2408 + 2409 41 22.820000 -15.407000 1.171000 154 I A 2 "ILE " "HD12" 1 0 1 1 51.42 2409 + 2410 41 24.091000 -16.156000 2.140000 154 I A 2 "ILE " "HD13" 1 0 1 1 51.42 2410 + 2411 25 19.158000 -13.801000 4.957000 155 G A 2 "GLY " " N " 7 0 1 1 52.51 2411 + 2412 3 18.755000 -12.677000 5.800000 155 G A 2 "GLY " " CA " 6 0 1 1 50.62 2412 + 2413 2 17.759000 -13.090000 6.894000 155 G A 2 "GLY " " C " 6 0 1 1 50.82 2413 + 2414 15 17.893000 -12.618000 8.021000 155 G A 2 "GLY " " O " 8 0 1 1 52.98 2414 + 2415 43 18.908000 -13.745000 3.978000 155 G A 2 "GLY " " H " 1 0 1 1 52.51 2415 + 2416 41 18.305000 -11.904000 5.177000 155 G A 2 "GLY " " HA3" 1 0 1 1 50.62 2416 + 2417 41 19.643000 -12.249000 6.266000 155 G A 2 "GLY " " HA2" 1 0 1 1 50.62 2417 + 2418 25 16.810000 -13.993000 6.586000 156 Y A 2 "TYR " " N " 7 0 1 1 47.12 2418 + 2419 3 15.871000 -14.566000 7.554000 156 Y A 2 "TYR " " CA " 6 0 1 1 53.08 2419 + 2420 2 16.555000 -15.511000 8.556000 156 Y A 2 "TYR " " C " 6 0 1 1 55.29 2420 + 2421 15 16.192000 -15.469000 9.727000 156 Y A 2 "TYR " " O " 8 0 1 1 60.23 2421 + 2422 3 14.709000 -15.284000 6.836000 156 Y A 2 "TYR " " CB " 6 0 1 1 46.97 2422 + 2423 2 13.527000 -14.423000 6.426000 156 Y A 2 "TYR " " CG " 6 0 1 1 66 2423 + 2424 2 12.239000 -14.727000 6.917000 156 Y A 2 "TYR " " CD1" 6 0 1 1 65.11 2424 + 2425 2 13.693000 -13.329000 5.551000 156 Y A 2 "TYR " " CD2" 6 0 1 1 75.47 2425 + 2426 2 11.129000 -13.956000 6.525000 156 Y A 2 "TYR " " CE1" 6 0 1 1 83.42 2426 + 2427 2 12.581000 -12.571000 5.142000 156 Y A 2 "TYR " " CE2" 6 0 1 1 90.88 2427 + 2428 2 11.297000 -12.889000 5.623000 156 Y A 2 "TYR " " CZ " 6 0 1 1 96.65 2428 + 2429 16 10.217000 -12.160000 5.216000 156 Y A 2 "TYR " " OH " 8 0 1 1 91.81 2429 + 2430 43 16.741000 -14.337000 5.636000 156 Y A 2 "TYR " " H " 1 0 1 1 47.12 2430 + 2431 41 15.445000 -13.739000 8.127000 156 Y A 2 "TYR " " HA " 1 0 1 1 53.08 2431 + 2432 41 14.287000 -16.009000 7.529000 156 Y A 2 "TYR " " HB3" 1 0 1 1 46.97 2432 + 2433 41 15.067000 -15.861000 5.982000 156 Y A 2 "TYR " " HB2" 1 0 1 1 46.97 2433 + 2434 41 12.093000 -15.553000 7.598000 156 Y A 2 "TYR " " HD1" 1 0 1 1 65.11 2434 + 2435 41 14.670000 -13.059000 5.186000 156 Y A 2 "TYR " " HD2" 1 0 1 1 75.47 2435 + 2436 41 10.150000 -14.193000 6.914000 156 Y A 2 "TYR " " HE1" 1 0 1 1 83.42 2436 + 2437 41 12.715000 -11.744000 4.460000 156 Y A 2 "TYR " " HE2" 1 0 1 1 90.88 2437 + 2438 42 9.387000 -12.473000 5.584000 156 Y A 2 "TYR " " HH " 1 0 1 1 91.81 2438 + 2439 25 17.541000 -16.316000 8.113000 157 I A 2 "ILE " " N " 7 0 1 1 52.1 2439 + 2440 3 18.333000 -17.171000 9.006000 157 I A 2 "ILE " " CA " 6 0 1 1 56.76 2440 + 2441 2 19.192000 -16.327000 9.971000 157 I A 2 "ILE " " C " 6 0 1 1 62.61 2441 + 2442 15 19.147000 -16.590000 11.169000 157 I A 2 "ILE " " O " 8 0 1 1 65.08 2442 + 2443 3 19.238000 -18.191000 8.247000 157 I A 2 "ILE " " CB " 6 0 1 1 57.14 2443 + 2444 3 18.398000 -19.208000 7.448000 157 I A 2 "ILE " " CG1" 6 0 1 1 57.92 2444 + 2445 3 20.216000 -18.971000 9.160000 157 I A 2 "ILE " " CG2" 6 0 1 1 37.07 2445 + 2446 3 19.170000 -19.875000 6.298000 157 I A 2 "ILE " " CD1" 6 0 1 1 59.71 2446 + 2447 43 17.790000 -16.324000 7.133000 157 I A 2 "ILE " " H " 1 0 1 1 52.1 2447 + 2448 41 17.629000 -17.746000 9.611000 157 I A 2 "ILE " " HA " 1 0 1 1 56.76 2448 + 2449 41 19.834000 -17.628000 7.527000 157 I A 2 "ILE " " HB " 1 0 1 1 57.14 2449 + 2450 41 17.511000 -18.734000 7.032000 157 I A 2 "ILE " "HG13" 1 0 1 1 57.92 2450 + 2451 41 18.022000 -19.973000 8.123000 157 I A 2 "ILE " "HG12" 1 0 1 1 57.92 2451 + 2452 41 20.752000 -19.750000 8.618000 157 I A 2 "ILE " "HG21" 1 0 1 1 37.07 2452 + 2453 41 20.977000 -18.324000 9.584000 157 I A 2 "ILE " "HG22" 1 0 1 1 37.07 2453 + 2454 41 19.688000 -19.455000 9.982000 157 I A 2 "ILE " "HG23" 1 0 1 1 37.07 2454 + 2455 41 18.909000 -20.929000 6.216000 157 I A 2 "ILE " "HD11" 1 0 1 1 59.71 2455 + 2456 41 18.929000 -19.402000 5.347000 157 I A 2 "ILE " "HD12" 1 0 1 1 59.71 2456 + 2457 41 20.251000 -19.812000 6.419000 157 I A 2 "ILE " "HD13" 1 0 1 1 59.71 2457 + 2458 25 19.884000 -15.297000 9.447000 158 C A 2 "CYS " " N " 7 0 1 1 58.43 2458 + 2459 3 20.671000 -14.312000 10.207000 158 C A 2 "CYS " " CA " 6 0 1 1 52.8 2459 + 2460 2 19.843000 -13.557000 11.266000 158 C A 2 "CYS " " C " 6 0 1 1 55.19 2460 + 2461 15 20.391000 -13.201000 12.307000 158 C A 2 "CYS " " O " 8 0 1 1 61.06 2461 + 2462 3 21.343000 -13.269000 9.286000 158 C A 2 "CYS " " CB " 6 0 1 1 45.27 2462 + 2463 49 22.627000 -14.015000 8.249000 158 C A 2 "CYS " " SG " 16 0 1 1 67.31 2463 + 2464 43 19.853000 -15.150000 8.446000 158 C A 2 "CYS " " H " 1 0 1 1 58.43 2464 + 2465 41 21.451000 -14.856000 10.741000 158 C A 2 "CYS " " HA " 1 0 1 1 52.8 2465 + 2466 41 21.822000 -12.485000 9.874000 158 C A 2 "CYS " " HB3" 1 0 1 1 45.27 2466 + 2467 41 20.609000 -12.785000 8.642000 158 C A 2 "CYS " " HB2" 1 0 1 1 45.27 2467 + 2468 41 21.783000 -14.692000 7.462000 158 C A 2 "CYS " " HG " 1 0 1 1 67.31 2468 + 2469 25 18.553000 -13.326000 10.970000 159 Q A 2 "GLN " " N " 7 0 1 1 54.88 2469 + 2470 3 17.597000 -12.625000 11.820000 159 Q A 2 "GLN " " CA " 6 0 1 1 55.37 2470 + 2471 2 17.024000 -13.522000 12.932000 159 Q A 2 "GLN " " C " 6 0 1 1 57.33 2471 + 2472 15 17.034000 -13.117000 14.093000 159 Q A 2 "GLN " " O " 8 0 1 1 64.3 2472 + 2473 3 16.483000 -12.063000 10.912000 159 Q A 2 "GLN " " CB " 6 0 1 1 40.84 2473 + 2474 3 15.361000 -11.290000 11.627000 159 Q A 2 "GLN " " CG " 6 0 1 1 65.09 2474 + 2475 2 14.298000 -10.848000 10.626000 159 Q A 2 "GLN " " CD " 6 0 1 1 73.65 2475 + 2476 15 14.419000 -9.791000 10.009000 159 Q A 2 "GLN " " OE1" 8 0 1 1 67.27 2476 + 2477 25 13.259000 -11.667000 10.453000 159 Q A 2 "GLN " " NE2" 7 0 1 1 74.64 2477 + 2478 43 18.192000 -13.647000 10.082000 159 Q A 2 "GLN " " H " 1 0 1 1 54.88 2478 + 2479 41 18.104000 -11.781000 12.293000 159 Q A 2 "GLN " " HA " 1 0 1 1 55.37 2479 + 2480 41 16.038000 -12.882000 10.346000 159 Q A 2 "GLN " " HB3" 1 0 1 1 40.84 2480 + 2481 41 16.933000 -11.406000 10.171000 159 Q A 2 "GLN " " HB2" 1 0 1 1 40.84 2481 + 2482 41 15.772000 -10.412000 12.126000 159 Q A 2 "GLN " " HG3" 1 0 1 1 65.09 2482 + 2483 41 14.885000 -11.894000 12.399000 159 Q A 2 "GLN " " HG2" 1 0 1 1 65.09 2483 + 2484 43 12.526000 -11.433000 9.800000 159 Q A 2 "GLN " "HE22" 1 0 1 1 74.64 2484 + 2485 43 13.216000 -12.545000 10.961000 159 Q A 2 "GLN " "HE21" 1 0 1 1 74.64 2485 + 2486 25 16.484000 -14.688000 12.540000 160 D A 2 "ASP " " N " 7 0 1 1 58.79 2486 + 2487 3 15.659000 -15.550000 13.394000 160 D A 2 "ASP " " CA " 6 0 1 1 61.56 2487 + 2488 2 16.468000 -16.521000 14.268000 160 D A 2 "ASP " " C " 6 0 1 1 64.25 2488 + 2489 15 15.954000 -16.922000 15.315000 160 D A 2 "ASP " " O " 8 0 1 1 65.79 2489 + 2490 3 14.582000 -16.330000 12.597000 160 D A 2 "ASP " " CB " 6 0 1 1 56.44 2490 + 2491 2 13.678000 -15.486000 11.688000 160 D A 2 "ASP " " CG " 6 0 1 1 60.26 2491 + 2492 15 13.516000 -14.276000 11.964000 160 D A 2 "ASP " " OD1" 8 0 1 1 61.59 2492 + 2493 18 13.099000 -16.091000 10.759000 160 D A 2 "ASP " " OD2" 8 -1 1 1 81.62 2493 + 2494 43 16.511000 -14.941000 11.560000 160 D A 2 "ASP " " H " 1 0 1 1 58.79 2494 + 2495 41 15.121000 -14.901000 14.088000 160 D A 2 "ASP " " HA " 1 0 1 1 61.56 2495 + 2496 41 13.944000 -16.893000 13.280000 160 D A 2 "ASP " " HB3" 1 0 1 1 56.44 2496 + 2497 41 15.097000 -17.049000 11.956000 160 D A 2 "ASP " " HB2" 1 0 1 1 56.44 2497 + 2498 25 17.688000 -16.896000 13.840000 161 I A 2 "ILE " " N " 7 0 0 1 64.39 2498 + 2499 3 18.574000 -17.779000 14.602000 161 I A 2 "ILE " " CA " 6 0 0 1 67.42 2499 + 2500 2 19.540000 -16.936000 15.454000 161 I A 2 "ILE " " C " 6 0 0 1 66.4 2500 + 2501 15 19.866000 -15.805000 15.087000 161 I A 2 "ILE " " O " 8 0 0 1 68.2 2501 + 2502 3 19.371000 -18.748000 13.664000 161 I A 2 "ILE " " CB " 6 0 0 1 74.05 2502 + 2503 3 19.496000 -20.148000 14.301000 161 I A 2 "ILE " " CG1" 6 0 0 1 83.5 2503 + 2504 3 20.770000 -18.284000 13.194000 161 I A 2 "ILE " " CG2" 6 0 0 1 70.38 2504 + 2505 3 19.949000 -21.229000 13.314000 161 I A 2 "ILE " " CD1" 6 0 0 1 97.24 2505 + 2506 43 18.057000 -16.527000 12.974000 161 I A 2 "ILE " " H " 1 0 0 1 64.39 2506 + 2507 41 17.971000 -18.375000 15.289000 161 I A 2 "ILE " " HA " 1 0 0 1 67.42 2507 + 2508 41 18.769000 -18.861000 12.760000 161 I A 2 "ILE " " HB " 1 0 0 1 74.05 2508 + 2509 41 18.542000 -20.453000 14.728000 161 I A 2 "ILE " "HG13" 1 0 0 1 83.5 2509 + 2510 41 20.196000 -20.111000 15.137000 161 I A 2 "ILE " "HG12" 1 0 0 1 83.5 2510 + 2511 41 21.105000 -18.868000 12.337000 161 I A 2 "ILE " "HG21" 1 0 0 1 70.38 2511 + 2512 41 20.786000 -17.237000 12.897000 161 I A 2 "ILE " "HG22" 1 0 0 1 70.38 2512 + 2513 41 21.520000 -18.408000 13.972000 161 I A 2 "ILE " "HG23" 1 0 0 1 70.38 2513 + 2514 41 19.551000 -22.194000 13.617000 161 I A 2 "ILE " "HD11" 1 0 0 1 97.24 2514 + 2515 41 19.591000 -21.035000 12.303000 161 I A 2 "ILE " "HD12" 1 0 0 1 97.24 2515 + 2516 41 21.036000 -21.307000 13.282000 161 I A 2 "ILE " "HD13" 1 0 0 1 97.24 2516 + 2517 25 19.989000 -17.532000 16.570000 162 D A 2 "ASP " " N " 7 0 0 1 76.38 2517 + 2518 3 20.984000 -16.985000 17.495000 162 D A 2 "ASP " " CA " 6 0 0 1 86.76 2518 + 2519 2 22.306000 -16.725000 16.731000 162 D A 2 "ASP " " C " 6 0 0 1 85.48 2519 + 2520 15 22.766000 -17.640000 16.049000 162 D A 2 "ASP " " O " 8 0 0 1 91.7 2520 + 2521 3 21.177000 -17.993000 18.657000 162 D A 2 "ASP " " CB " 6 0 0 1 97.19 2521 + 2522 2 22.026000 -17.505000 19.840000 162 D A 2 "ASP " " CG " 6 0 0 1 108.89 2522 + 2523 15 23.098000 -16.909000 19.600000 162 D A 2 "ASP " " OD1" 8 0 0 1 105.54 2523 + 2524 18 21.622000 -17.820000 20.980000 162 D A 2 "ASP " " OD2" 8 -1 0 1 118.61 2524 + 2525 43 19.665000 -18.462000 16.789000 162 D A 2 "ASP " " H " 1 0 0 1 76.38 2525 + 2526 41 20.551000 -16.068000 17.891000 162 D A 2 "ASP " " HA " 1 0 0 1 86.76 2526 + 2527 41 21.600000 -18.930000 18.294000 162 D A 2 "ASP " " HB3" 1 0 0 1 97.19 2527 + 2528 41 20.189000 -18.241000 19.049000 162 D A 2 "ASP " " HB2" 1 0 0 1 97.19 2528 + 2529 25 22.888000 -15.505000 16.828000 163 P A 2 "PRO " " N " 7 0 0 1 82.48 2529 + 2530 3 24.126000 -15.161000 16.099000 163 P A 2 "PRO " " CA " 6 0 0 1 79.97 2530 + 2531 2 25.341000 -16.064000 16.398000 163 P A 2 "PRO " " C " 6 0 0 1 82.04 2531 + 2532 15 26.163000 -16.245000 15.502000 163 P A 2 "PRO " " O " 8 0 0 1 84.45 2532 + 2533 3 24.379000 -13.689000 16.469000 163 P A 2 "PRO " " CB " 6 0 0 1 75.59 2533 + 2534 3 23.671000 -13.494000 17.797000 163 P A 2 "PRO " " CG " 6 0 0 1 82.02 2534 + 2535 3 22.442000 -14.381000 17.655000 163 P A 2 "PRO " " CD " 6 0 0 1 78.51 2535 + 2536 41 23.929000 -15.229000 15.027000 163 P A 2 "PRO " " HA " 1 0 0 1 79.97 2536 + 2537 41 23.917000 -13.045000 15.720000 163 P A 2 "PRO " " HB3" 1 0 0 1 75.59 2537 + 2538 41 25.433000 -13.416000 16.527000 163 P A 2 "PRO " " HB2" 1 0 0 1 75.59 2538 + 2539 41 23.430000 -12.452000 18.009000 163 P A 2 "PRO " " HG3" 1 0 0 1 82.02 2539 + 2540 41 24.300000 -13.869000 18.605000 163 P A 2 "PRO " " HG2" 1 0 0 1 82.02 2540 + 2541 41 22.074000 -14.670000 18.638000 163 P A 2 "PRO " " HD2" 1 0 0 1 78.51 2541 + 2542 41 21.645000 -13.854000 17.128000 163 P A 2 "PRO " " HD3" 1 0 0 1 78.51 2542 + 2543 25 25.397000 -16.661000 17.605000 164 E A 2 "GLU " " N " 7 0 0 1 83.99 2543 + 2544 3 26.407000 -17.640000 18.022000 164 E A 2 "GLU " " CA " 6 0 0 1 88.49 2544 + 2545 2 26.392000 -18.942000 17.195000 164 E A 2 "GLU " " C " 6 0 0 1 84.12 2545 + 2546 15 27.457000 -19.527000 17.001000 164 E A 2 "GLU " " O " 8 0 0 1 80.23 2546 + 2547 3 26.252000 -17.953000 19.525000 164 E A 2 "GLU " " CB " 6 0 0 1 102.37 2547 + 2548 3 26.387000 -16.716000 20.435000 164 E A 2 "GLU " " CG " 6 0 0 1 129.32 2548 + 2549 2 26.270000 -17.075000 21.917000 164 E A 2 "GLU " " CD " 6 0 0 1 143.67 2549 + 2550 15 27.159000 -17.811000 22.398000 164 E A 2 "GLU " " OE1" 8 0 0 1 150.1 2550 + 2551 18 25.305000 -16.595000 22.552000 164 E A 2 "GLU " " OE2" 8 -1 0 1 154.18 2551 + 2552 43 24.662000 -16.486000 18.281000 164 E A 2 "GLU " " H " 1 0 0 1 83.99 2552 + 2553 41 27.385000 -17.180000 17.876000 164 E A 2 "GLU " " HA " 1 0 0 1 88.49 2553 + 2554 41 27.002000 -18.692000 19.813000 164 E A 2 "GLU " " HB3" 1 0 0 1 102.37 2554 + 2555 41 25.286000 -18.430000 19.702000 164 E A 2 "GLU " " HB2" 1 0 0 1 102.37 2555 + 2556 41 25.628000 -15.972000 20.191000 164 E A 2 "GLU " " HG3" 1 0 0 1 129.32 2556 + 2557 41 27.354000 -16.240000 20.272000 164 E A 2 "GLU " " HG2" 1 0 0 1 129.32 2557 + 2558 25 25.212000 -19.340000 16.681000 165 Q A 2 "GLN " " N " 7 0 0 1 84.37 2558 + 2559 3 25.027000 -20.485000 15.778000 165 Q A 2 "GLN " " CA " 6 0 0 1 76.74 2559 + 2560 2 25.578000 -20.281000 14.353000 165 Q A 2 "GLN " " C " 6 0 0 1 73.22 2560 + 2561 15 25.592000 -21.243000 13.584000 165 Q A 2 "GLN " " O " 8 0 0 1 63.85 2561 + 2562 3 23.529000 -20.880000 15.728000 165 Q A 2 "GLN " " CB " 6 0 0 1 71.58 2562 + 2563 3 22.971000 -21.472000 17.037000 165 Q A 2 "GLN " " CG " 6 0 0 1 70.02 2563 + 2564 2 23.593000 -22.819000 17.416000 165 Q A 2 "GLN " " CD " 6 0 0 1 79.23 2564 + 2565 15 24.236000 -23.477000 16.600000 165 Q A 2 "GLN " " OE1" 8 0 0 1 80.59 2565 + 2566 25 23.377000 -23.254000 18.659000 165 Q A 2 "GLN " " NE2" 7 0 0 1 87.79 2566 + 2567 43 24.386000 -18.786000 16.864000 165 Q A 2 "GLN " " H " 1 0 0 1 84.37 2567 + 2568 41 25.604000 -21.313000 16.190000 165 Q A 2 "GLN " " HA " 1 0 0 1 76.74 2568 + 2569 41 23.358000 -21.603000 14.929000 165 Q A 2 "GLN " " HB3" 1 0 0 1 71.58 2569 + 2570 41 22.927000 -20.021000 15.441000 165 Q A 2 "GLN " " HB2" 1 0 0 1 71.58 2570 + 2571 41 21.895000 -21.618000 16.934000 165 Q A 2 "GLN " " HG3" 1 0 0 1 70.02 2571 + 2572 41 23.113000 -20.766000 17.856000 165 Q A 2 "GLN " " HG2" 1 0 0 1 70.02 2572 + 2573 43 23.758000 -24.141000 18.955000 165 Q A 2 "GLN " "HE22" 1 0 0 1 87.79 2573 + 2574 43 22.848000 -22.696000 19.313000 165 Q A 2 "GLN " "HE21" 1 0 0 1 87.79 2574 + 2575 25 26.010000 -19.051000 14.027000 166 L A 2 "LEU " " N " 7 0 0 1 68.89 2575 + 2576 3 26.567000 -18.670000 12.729000 166 L A 2 "LEU " " CA " 6 0 0 1 72.9 2576 + 2577 2 27.974000 -18.056000 12.852000 166 L A 2 "LEU " " C " 6 0 0 1 78.48 2577 + 2578 15 28.523000 -17.675000 11.819000 166 L A 2 "LEU " " O " 8 0 0 1 74.51 2578 + 2579 3 25.618000 -17.664000 12.037000 166 L A 2 "LEU " " CB " 6 0 0 1 67.21 2579 + 2580 3 24.166000 -18.140000 11.814000 166 L A 2 "LEU " " CG " 6 0 0 1 61.39 2580 + 2581 3 23.325000 -16.966000 11.289000 166 L A 2 "LEU " " CD1" 6 0 0 1 55.6 2581 + 2582 3 24.064000 -19.377000 10.896000 166 L A 2 "LEU " " CD2" 6 0 0 1 69.6 2582 + 2583 43 25.949000 -18.311000 14.713000 166 L A 2 "LEU " " H " 1 0 0 1 68.89 2583 + 2584 41 26.683000 -19.548000 12.093000 166 L A 2 "LEU " " HA " 1 0 0 1 72.9 2584 + 2585 41 26.034000 -17.375000 11.071000 166 L A 2 "LEU " " HB3" 1 0 0 1 67.21 2585 + 2586 41 25.592000 -16.749000 12.632000 166 L A 2 "LEU " " HB2" 1 0 0 1 67.21 2586 + 2587 41 23.741000 -18.415000 12.780000 166 L A 2 "LEU " " HG " 1 0 0 1 61.39 2587 + 2588 41 22.375000 -17.294000 10.876000 166 L A 2 "LEU " "HD11" 1 0 0 1 55.6 2588 + 2589 41 23.094000 -16.269000 12.096000 166 L A 2 "LEU " "HD12" 1 0 0 1 55.6 2589 + 2590 41 23.847000 -16.411000 10.510000 166 L A 2 "LEU " "HD13" 1 0 0 1 55.6 2590 + 2591 41 23.419000 -19.198000 10.035000 166 L A 2 "LEU " "HD21" 1 0 0 1 69.6 2591 + 2592 41 25.033000 -19.682000 10.501000 166 L A 2 "LEU " "HD22" 1 0 0 1 69.6 2592 + 2593 41 23.650000 -20.228000 11.438000 166 L A 2 "LEU " "HD23" 1 0 0 1 69.6 2593 + 2594 25 28.548000 -17.960000 14.069000 167 Q A 2 "GLN " " N " 7 0 0 1 84.34 2594 + 2595 3 29.891000 -17.410000 14.301000 167 Q A 2 "GLN " " CA " 6 0 0 1 91.48 2595 + 2596 2 31.035000 -18.218000 13.662000 167 Q A 2 "GLN " " C " 6 0 0 1 86.85 2596 + 2597 15 32.004000 -17.610000 13.209000 167 Q A 2 "GLN " " O " 8 0 0 1 85.36 2597 + 2598 3 30.139000 -17.173000 15.809000 167 Q A 2 "GLN " " CB " 6 0 0 1 100.94 2598 + 2599 3 29.584000 -15.821000 16.294000 167 Q A 2 "GLN " " CG " 6 0 0 1 118.88 2599 + 2600 2 29.822000 -15.523000 17.775000 167 Q A 2 "GLN " " CD " 6 0 0 1 123.56 2600 + 2601 15 30.339000 -16.348000 18.524000 167 Q A 2 "GLN " " OE1" 8 0 0 1 128.87 2601 + 2602 25 29.431000 -14.322000 18.206000 167 Q A 2 "GLN " " NE2" 7 0 0 1 114.11 2602 + 2603 43 28.053000 -18.296000 14.884000 167 Q A 2 "GLN " " H " 1 0 0 1 84.34 2603 + 2604 41 29.915000 -16.437000 13.806000 167 Q A 2 "GLN " " HA " 1 0 0 1 91.48 2604 + 2605 41 31.210000 -17.189000 16.016000 167 Q A 2 "GLN " " HB3" 1 0 0 1 100.94 2605 + 2606 41 29.711000 -17.992000 16.390000 167 Q A 2 "GLN " " HB2" 1 0 0 1 100.94 2606 + 2607 41 28.516000 -15.772000 16.111000 167 Q A 2 "GLN " " HG3" 1 0 0 1 118.88 2607 + 2608 41 30.045000 -15.016000 15.720000 167 Q A 2 "GLN " " HG2" 1 0 0 1 118.88 2608 + 2609 43 29.554000 -14.074000 19.177000 167 Q A 2 "GLN " "HE22" 1 0 0 1 114.11 2609 + 2610 43 28.997000 -13.663000 17.577000 167 Q A 2 "GLN " "HE21" 1 0 0 1 114.11 2610 + 2611 25 30.888000 -19.553000 13.601000 168 D A 2 "ASP " " N " 7 0 0 1 90.54 2611 + 2612 3 31.826000 -20.469000 12.938000 168 D A 2 "ASP " " CA " 6 0 0 1 96.2 2612 + 2613 2 31.763000 -20.369000 11.399000 168 D A 2 "ASP " " C " 6 0 0 1 91.97 2613 + 2614 15 32.741000 -20.719000 10.741000 168 D A 2 "ASP " " O " 8 0 0 1 91.2 2614 + 2615 3 31.640000 -21.953000 13.358000 168 D A 2 "ASP " " CB " 6 0 0 1 102.86 2615 + 2616 2 30.252000 -22.573000 13.118000 168 D A 2 "ASP " " CG " 6 0 0 1 109.55 2616 + 2617 15 29.245000 -21.830000 13.142000 168 D A 2 "ASP " " OD1" 8 0 0 1 120.95 2617 + 2618 18 30.221000 -23.811000 12.947000 168 D A 2 "ASP " " OD2" 8 -1 0 1 109.09 2618 + 2619 43 30.047000 -19.985000 13.964000 168 D A 2 "ASP " " H " 1 0 0 1 90.54 2619 + 2620 41 32.834000 -20.174000 13.235000 168 D A 2 "ASP " " HA " 1 0 0 1 96.2 2620 + 2621 41 31.869000 -22.055000 14.419000 168 D A 2 "ASP " " HB3" 1 0 0 1 102.86 2621 + 2622 41 32.376000 -22.556000 12.824000 168 D A 2 "ASP " " HB2" 1 0 0 1 102.86 2622 + 2623 25 30.610000 -19.925000 10.870000 169 K A 2 "LYS " " N " 7 0 0 1 90.31 2623 + 2624 3 30.295000 -19.863000 9.445000 169 K A 2 "LYS " " CA " 6 0 0 1 87.4 2624 + 2625 2 30.125000 -18.415000 8.951000 169 K A 2 "LYS " " C " 6 0 0 1 83.53 2625 + 2626 15 29.484000 -18.201000 7.920000 169 K A 2 "LYS " " O " 8 0 0 1 76.1 2626 + 2627 3 29.045000 -20.731000 9.177000 169 K A 2 "LYS " " CB " 6 0 0 1 86.95 2627 + 2628 3 29.311000 -22.240000 9.332000 169 K A 2 "LYS " " CG " 6 0 0 1 94.07 2628 + 2629 3 28.048000 -23.113000 9.294000 169 K A 2 "LYS " " CD " 6 0 0 1 93.65 2629 + 2630 3 27.183000 -22.975000 10.557000 169 K A 2 "LYS " " CE " 6 0 0 1 85.98 2630 + 2631 32 26.066000 -23.932000 10.553000 169 K A 2 "LYS " " NZ " 7 1 0 1 77.26 2631 + 2632 43 29.863000 -19.657000 11.495000 169 K A 2 "LYS " " H " 1 0 0 1 90.31 2632 + 2633 41 31.129000 -20.275000 8.882000 169 K A 2 "LYS " " HA " 1 0 0 1 87.4 2633 + 2634 41 28.693000 -20.574000 8.158000 169 K A 2 "LYS " " HB3" 1 0 0 1 86.95 2634 + 2635 41 28.237000 -20.404000 9.832000 169 K A 2 "LYS " " HB2" 1 0 0 1 86.95 2635 + 2636 41 29.849000 -22.441000 10.258000 169 K A 2 "LYS " " HG3" 1 0 0 1 94.07 2636 + 2637 41 29.981000 -22.560000 8.534000 169 K A 2 "LYS " " HG2" 1 0 0 1 94.07 2637 + 2638 41 28.346000 -24.155000 9.167000 169 K A 2 "LYS " " HD3" 1 0 0 1 93.65 2638 + 2639 41 27.458000 -22.860000 8.412000 169 K A 2 "LYS " " HD2" 1 0 0 1 93.65 2639 + 2640 41 26.781000 -21.966000 10.654000 169 K A 2 "LYS " " HE3" 1 0 0 1 85.98 2640 + 2641 41 27.781000 -23.173000 11.445000 169 K A 2 "LYS " " HE2" 1 0 0 1 85.98 2641 + 2642 44 26.432000 -24.872000 10.514000 169 K A 2 "LYS " " HZ1" 1 0 0 1 77.26 2642 + 2643 44 25.533000 -23.815000 11.403000 169 K A 2 "LYS " " HZ2" 1 0 0 1 77.26 2643 + 2644 44 25.473000 -23.762000 9.754000 169 K A 2 "LYS " " HZ3" 1 0 0 1 77.26 2644 + 2645 25 30.699000 -17.444000 9.686000 170 S A 2 "SER " " N " 7 0 1 1 78.55 2645 + 2646 3 30.588000 -16.015000 9.404000 170 S A 2 "SER " " CA " 6 0 1 1 75.67 2646 + 2647 2 31.172000 -15.623000 8.037000 170 S A 2 "SER " " C " 6 0 1 1 77.92 2647 + 2648 15 30.468000 -14.969000 7.276000 170 S A 2 "SER " " O " 8 0 1 1 86.42 2648 + 2649 3 31.169000 -15.190000 10.575000 170 S A 2 "SER " " CB " 6 0 1 1 59.06 2649 + 2650 16 32.582000 -15.214000 10.634000 170 S A 2 "SER " " OG " 8 0 1 1 71.71 2650 + 2651 43 31.219000 -17.693000 10.515000 170 S A 2 "SER " " H " 1 0 1 1 78.55 2651 + 2652 41 29.518000 -15.801000 9.371000 170 S A 2 "SER " " HA " 1 0 1 1 75.67 2652 + 2653 41 30.766000 -15.541000 11.526000 170 S A 2 "SER " " HB3" 1 0 1 1 59.06 2653 + 2654 41 30.864000 -14.148000 10.476000 170 S A 2 "SER " " HB2" 1 0 1 1 59.06 2654 + 2655 42 32.865000 -14.704000 11.397000 170 S A 2 "SER " " HG " 1 0 1 1 71.71 2655 + 2656 25 32.407000 -16.067000 7.744000 171 N A 2 "ASN " " N " 7 0 1 1 78.06 2656 + 2657 3 33.185000 -15.717000 6.549000 171 N A 2 "ASN " " CA " 6 0 1 1 77.19 2657 + 2658 2 32.480000 -16.073000 5.232000 171 N A 2 "ASN " " C " 6 0 1 1 75.69 2658 + 2659 15 32.450000 -15.230000 4.337000 171 N A 2 "ASN " " O " 8 0 1 1 75.82 2659 + 2660 3 34.576000 -16.389000 6.605000 171 N A 2 "ASN " " CB " 6 0 1 1 81.87 2660 + 2661 2 35.430000 -15.908000 7.781000 171 N A 2 "ASN " " CG " 6 0 1 1 82.98 2661 + 2662 15 35.728000 -14.722000 7.890000 171 N A 2 "ASN " " OD1" 8 0 1 1 87.66 2662 + 2663 25 35.832000 -16.829000 8.660000 171 N A 2 "ASN " " ND2" 7 0 1 1 93.24 2663 + 2664 43 32.888000 -16.631000 8.431000 171 N A 2 "ASN " " H " 1 0 1 1 78.06 2664 + 2665 41 33.317000 -14.633000 6.581000 171 N A 2 "ASN " " HA " 1 0 1 1 77.19 2665 + 2666 41 35.132000 -16.163000 5.694000 171 N A 2 "ASN " " HB3" 1 0 1 1 81.87 2666 + 2667 41 34.474000 -17.475000 6.638000 171 N A 2 "ASN " " HB2" 1 0 1 1 81.87 2667 + 2668 43 36.395000 -16.557000 9.453000 171 N A 2 "ASN " "HD22" 1 0 1 1 93.24 2668 + 2669 43 35.572000 -17.798000 8.543000 171 N A 2 "ASN " "HD21" 1 0 1 1 93.24 2669 + 2670 25 31.909000 -17.287000 5.151000 172 E A 2 "GLU " " N " 7 0 1 1 75.03 2670 + 2671 3 31.182000 -17.788000 3.982000 172 E A 2 "GLU " " CA " 6 0 1 1 80.1 2671 + 2672 2 29.898000 -16.988000 3.715000 172 E A 2 "GLU " " C " 6 0 1 1 81.93 2672 + 2673 15 29.654000 -16.604000 2.571000 172 E A 2 "GLU " " O " 8 0 1 1 81.03 2673 + 2674 3 30.856000 -19.295000 4.117000 172 E A 2 "GLU " " CB " 6 0 1 1 84.74 2674 + 2675 3 32.014000 -20.197000 4.587000 172 E A 2 "GLU " " CG " 6 0 1 1 102.32 2675 + 2676 2 32.047000 -20.351000 6.106000 172 E A 2 "GLU " " CD " 6 0 1 1 116.76 2676 + 2677 15 31.273000 -21.204000 6.591000 172 E A 2 "GLU " " OE1" 8 0 1 1 120.38 2677 + 2678 18 32.811000 -19.600000 6.751000 172 E A 2 "GLU " " OE2" 8 -1 1 1 120.83 2678 + 2679 43 32.007000 -17.934000 5.924000 172 E A 2 "GLU " " H " 1 0 1 1 75.03 2679 + 2680 41 31.841000 -17.666000 3.119000 172 E A 2 "GLU " " HA " 1 0 1 1 80.1 2680 + 2681 41 30.535000 -19.664000 3.145000 172 E A 2 "GLU " " HB3" 1 0 1 1 84.74 2681 + 2682 41 29.992000 -19.437000 4.770000 172 E A 2 "GLU " " HB2" 1 0 1 1 84.74 2682 + 2683 41 32.972000 -19.825000 4.222000 172 E A 2 "GLU " " HG3" 1 0 1 1 102.32 2683 + 2684 41 31.893000 -21.194000 4.161000 172 E A 2 "GLU " " HG2" 1 0 1 1 102.32 2684 + 2685 25 29.128000 -16.732000 4.788000 173 I A 2 "ILE " " N " 7 0 1 1 79.22 2685 + 2686 3 27.900000 -15.937000 4.773000 173 I A 2 "ILE " " CA " 6 0 1 1 64.27 2686 + 2687 2 28.163000 -14.466000 4.390000 173 I A 2 "ILE " " C " 6 0 1 1 64.39 2687 + 2688 15 27.431000 -13.939000 3.555000 173 I A 2 "ILE " " O " 8 0 1 1 69.11 2688 + 2689 3 27.153000 -16.015000 6.141000 173 I A 2 "ILE " " CB " 6 0 1 1 62.72 2689 + 2690 3 26.629000 -17.446000 6.406000 173 I A 2 "ILE " " CG1" 6 0 1 1 58.53 2690 + 2691 3 25.999000 -15.002000 6.307000 173 I A 2 "ILE " " CG2" 6 0 1 1 61.15 2691 + 2692 3 26.201000 -17.693000 7.864000 173 I A 2 "ILE " " CD1" 6 0 1 1 51.12 2692 + 2693 43 29.416000 -17.080000 5.693000 173 I A 2 "ILE " " H " 1 0 1 1 79.22 2693 + 2694 41 27.247000 -16.362000 4.007000 173 I A 2 "ILE " " HA " 1 0 1 1 64.27 2694 + 2695 41 27.883000 -15.796000 6.922000 173 I A 2 "ILE " " HB " 1 0 1 1 62.72 2695 + 2696 41 27.389000 -18.184000 6.149000 173 I A 2 "ILE " "HG13" 1 0 1 1 58.53 2696 + 2697 41 25.787000 -17.652000 5.744000 173 I A 2 "ILE " "HG12" 1 0 1 1 58.53 2697 + 2698 41 25.447000 -15.165000 7.232000 173 I A 2 "ILE " "HG21" 1 0 1 1 61.15 2698 + 2699 41 26.365000 -13.978000 6.356000 173 I A 2 "ILE " "HG22" 1 0 1 1 61.15 2699 + 2700 41 25.291000 -15.076000 5.483000 173 I A 2 "ILE " "HG23" 1 0 1 1 61.15 2700 + 2701 41 26.375000 -18.731000 8.148000 173 I A 2 "ILE " "HD11" 1 0 1 1 51.12 2701 + 2702 41 26.760000 -17.069000 8.562000 173 I A 2 "ILE " "HD12" 1 0 1 1 51.12 2702 + 2703 41 25.140000 -17.486000 8.006000 173 I A 2 "ILE " "HD13" 1 0 1 1 51.12 2703 + 2704 25 29.220000 -13.857000 4.959000 174 L A 2 "LEU " " N " 7 0 1 1 66.12 2704 + 2705 3 29.650000 -12.482000 4.684000 174 L A 2 "LEU " " CA " 6 0 1 1 65.92 2705 + 2706 2 30.111000 -12.307000 3.226000 174 L A 2 "LEU " " C " 6 0 1 1 69.35 2706 + 2707 15 29.762000 -11.296000 2.621000 174 L A 2 "LEU " " O " 8 0 1 1 75.57 2707 + 2708 3 30.751000 -12.054000 5.688000 174 L A 2 "LEU " " CB " 6 0 1 1 60.94 2708 + 2709 3 30.687000 -10.585000 6.166000 174 L A 2 "LEU " " CG " 6 0 1 1 59.61 2709 + 2710 3 31.789000 -10.302000 7.191000 174 L A 2 "LEU " " CD1" 6 0 1 1 68.3 2710 + 2711 3 30.739000 -9.538000 5.053000 174 L A 2 "LEU " " CD2" 6 0 1 1 53.56 2711 + 2712 43 29.769000 -14.362000 5.645000 174 L A 2 "LEU " " H " 1 0 1 1 66.12 2712 + 2713 41 28.776000 -11.848000 4.845000 174 L A 2 "LEU " " HA " 1 0 1 1 65.92 2713 + 2714 41 31.744000 -12.287000 5.297000 174 L A 2 "LEU " " HB3" 1 0 1 1 60.94 2714 + 2715 41 30.654000 -12.651000 6.591000 174 L A 2 "LEU " " HB2" 1 0 1 1 60.94 2715 + 2716 41 29.734000 -10.459000 6.683000 174 L A 2 "LEU " " HG " 1 0 1 1 59.61 2716 + 2717 41 31.514000 -9.468000 7.835000 174 L A 2 "LEU " "HD11" 1 0 1 1 68.3 2717 + 2718 41 31.970000 -11.171000 7.821000 174 L A 2 "LEU " "HD12" 1 0 1 1 68.3 2718 + 2719 41 32.731000 -10.043000 6.705000 174 L A 2 "LEU " "HD13" 1 0 1 1 68.3 2719 + 2720 41 31.226000 -8.619000 5.378000 174 L A 2 "LEU " "HD21" 1 0 1 1 53.56 2720 + 2721 41 31.291000 -9.901000 4.188000 174 L A 2 "LEU " "HD22" 1 0 1 1 53.56 2721 + 2722 41 29.728000 -9.273000 4.747000 174 L A 2 "LEU " "HD23" 1 0 1 1 53.56 2722 + 2723 25 30.836000 -13.300000 2.676000 175 T A 2 "THR " " N " 7 0 1 1 68.86 2723 + 2724 3 31.275000 -13.326000 1.277000 175 T A 2 "THR " " CA " 6 0 1 1 68.02 2724 + 2725 2 30.086000 -13.323000 0.301000 175 T A 2 "THR " " C " 6 0 1 1 70.35 2725 + 2726 15 30.069000 -12.483000 -0.594000 175 T A 2 "THR " " O " 8 0 1 1 73.58 2726 + 2727 3 32.171000 -14.554000 0.950000 175 T A 2 "THR " " CB " 6 0 1 1 64.9 2727 + 2728 16 33.344000 -14.497000 1.734000 175 T A 2 "THR " " OG1" 8 0 1 1 71.07 2728 + 2729 3 32.614000 -14.680000 -0.522000 175 T A 2 "THR " " CG2" 6 0 1 1 72.17 2729 + 2730 43 31.086000 -14.102000 3.240000 175 T A 2 "THR " " H " 1 0 1 1 68.86 2730 + 2731 41 31.857000 -12.419000 1.100000 175 T A 2 "THR " " HA " 1 0 1 1 68.02 2731 + 2732 41 31.652000 -15.471000 1.231000 175 T A 2 "THR " " HB " 1 0 1 1 64.9 2732 + 2733 42 33.103000 -14.621000 2.659000 175 T A 2 "THR " " HG1" 1 0 1 1 71.07 2733 + 2734 41 33.332000 -15.491000 -0.645000 175 T A 2 "THR " "HG21" 1 0 1 1 72.17 2734 + 2735 41 31.777000 -14.899000 -1.186000 175 T A 2 "THR " "HG22" 1 0 1 1 72.17 2735 + 2736 41 33.088000 -13.762000 -0.872000 175 T A 2 "THR " "HG23" 1 0 1 1 72.17 2736 + 2737 25 29.101000 -14.213000 0.526000 176 A A 2 "ALA " " N " 7 0 1 1 66.89 2737 + 2738 3 27.854000 -14.290000 -0.237000 176 A A 2 "ALA " " CA " 6 0 1 1 60.26 2738 + 2739 2 27.005000 -13.011000 -0.138000 176 A A 2 "ALA " " C " 6 0 1 1 65.52 2739 + 2740 15 26.508000 -12.538000 -1.156000 176 A A 2 "ALA " " O " 8 0 1 1 61.5 2740 + 2741 3 27.057000 -15.516000 0.228000 176 A A 2 "ALA " " CB " 6 0 1 1 59.33 2741 + 2742 43 29.190000 -14.865000 1.295000 176 A A 2 "ALA " " H " 1 0 1 1 66.89 2742 + 2743 41 28.116000 -14.434000 -1.288000 176 A A 2 "ALA " " HA " 1 0 1 1 60.26 2743 + 2744 41 26.112000 -15.607000 -0.307000 176 A A 2 "ALA " " HB1" 1 0 1 1 59.33 2744 + 2745 41 27.622000 -16.429000 0.045000 176 A A 2 "ALA " " HB2" 1 0 1 1 59.33 2745 + 2746 41 26.831000 -15.474000 1.294000 176 A A 2 "ALA " " HB3" 1 0 1 1 59.33 2746 + 2747 25 26.896000 -12.446000 1.074000 177 I A 2 "ILE " " N " 7 0 1 1 64.08 2747 + 2748 3 26.199000 -11.191000 1.347000 177 I A 2 "ILE " " CA " 6 0 1 1 55.28 2748 + 2749 2 26.825000 -9.973000 0.630000 177 I A 2 "ILE " " C " 6 0 1 1 58.48 2749 + 2750 15 26.097000 -9.229000 -0.024000 177 I A 2 "ILE " " O " 8 0 1 1 68.87 2750 + 2751 3 26.061000 -10.957000 2.882000 177 I A 2 "ILE " " CB " 6 0 1 1 56.26 2751 + 2752 3 24.955000 -11.869000 3.463000 177 I A 2 "ILE " " CG1" 6 0 1 1 61.55 2752 + 2753 3 25.804000 -9.505000 3.312000 177 I A 2 "ILE " " CG2" 6 0 1 1 57.04 2753 + 2754 3 24.899000 -11.884000 4.998000 177 I A 2 "ILE " " CD1" 6 0 1 1 58.52 2754 + 2755 43 27.326000 -12.896000 1.872000 177 I A 2 "ILE " " H " 1 0 1 1 64.08 2755 + 2756 41 25.191000 -11.297000 0.945000 177 I A 2 "ILE " " HA " 1 0 1 1 55.28 2756 + 2757 41 27.003000 -11.253000 3.345000 177 I A 2 "ILE " " HB " 1 0 1 1 56.26 2757 + 2758 41 25.084000 -12.890000 3.106000 177 I A 2 "ILE " "HG13" 1 0 1 1 61.55 2758 + 2759 41 23.987000 -11.549000 3.077000 177 I A 2 "ILE " "HG12" 1 0 1 1 61.55 2759 + 2760 41 25.661000 -9.434000 4.386000 177 I A 2 "ILE " "HG21" 1 0 1 1 57.04 2760 + 2761 41 26.643000 -8.851000 3.077000 177 I A 2 "ILE " "HG22" 1 0 1 1 57.04 2761 + 2762 41 24.907000 -9.118000 2.837000 177 I A 2 "ILE " "HG23" 1 0 1 1 57.04 2762 + 2763 41 24.417000 -12.788000 5.365000 177 I A 2 "ILE " "HD11" 1 0 1 1 58.52 2763 + 2764 41 25.897000 -11.836000 5.434000 177 I A 2 "ILE " "HD12" 1 0 1 1 58.52 2764 + 2765 41 24.329000 -11.041000 5.382000 177 I A 2 "ILE " "HD13" 1 0 1 1 58.52 2765 + 2766 25 28.155000 -9.814000 0.724000 178 I A 2 "ILE " " N " 7 0 1 1 53.16 2766 + 2767 3 28.908000 -8.734000 0.073000 178 I A 2 "ILE " " CA " 6 0 1 1 59.48 2767 + 2768 2 28.998000 -8.870000 -1.457000 178 I A 2 "ILE " " C " 6 0 1 1 66.35 2768 + 2769 15 29.063000 -7.843000 -2.135000 178 I A 2 "ILE " " O " 8 0 1 1 74.38 2769 + 2770 3 30.314000 -8.547000 0.715000 178 I A 2 "ILE " " CB " 6 0 1 1 53.29 2770 + 2771 3 30.195000 -7.983000 2.148000 178 I A 2 "ILE " " CG1" 6 0 1 1 55.73 2771 + 2772 3 31.342000 -7.725000 -0.088000 178 I A 2 "ILE " " CG2" 6 0 1 1 53.86 2772 + 2773 3 29.877000 -6.483000 2.260000 178 I A 2 "ILE " " CD1" 6 0 1 1 47.12 2773 + 2774 43 28.699000 -10.462000 1.281000 178 I A 2 "ILE " " H " 1 0 1 1 53.16 2774 + 2775 41 28.357000 -7.813000 0.230000 178 I A 2 "ILE " " HA " 1 0 1 1 59.48 2775 + 2776 41 30.747000 -9.544000 0.817000 178 I A 2 "ILE " " HB " 1 0 1 1 53.29 2776 + 2777 41 31.137000 -8.161000 2.665000 178 I A 2 "ILE " "HG13" 1 0 1 1 55.73 2777 + 2778 41 29.435000 -8.537000 2.694000 178 I A 2 "ILE " "HG12" 1 0 1 1 55.73 2778 + 2779 41 32.249000 -7.576000 0.498000 178 I A 2 "ILE " "HG21" 1 0 1 1 53.86 2779 + 2780 41 31.637000 -8.224000 -1.011000 178 I A 2 "ILE " "HG22" 1 0 1 1 53.86 2780 + 2781 41 30.954000 -6.742000 -0.346000 178 I A 2 "ILE " "HG23" 1 0 1 1 53.86 2781 + 2782 41 29.412000 -6.254000 3.219000 178 I A 2 "ILE " "HD11" 1 0 1 1 47.12 2782 + 2783 41 30.786000 -5.887000 2.189000 178 I A 2 "ILE " "HD12" 1 0 1 1 47.12 2783 + 2784 41 29.202000 -6.138000 1.478000 178 I A 2 "ILE " "HD13" 1 0 1 1 47.12 2784 + 2785 25 28.928000 -10.109000 -1.975000 179 Q A 2 "GLN " " N " 7 0 1 1 72.35 2785 + 2786 3 28.862000 -10.407000 -3.407000 179 Q A 2 "GLN " " CA " 6 0 1 1 72.16 2786 + 2787 2 27.603000 -9.811000 -4.064000 179 Q A 2 "GLN " " C " 6 0 1 1 75.86 2787 + 2788 15 27.704000 -9.254000 -5.157000 179 Q A 2 "GLN " " O " 8 0 1 1 78.1 2788 + 2789 3 28.932000 -11.940000 -3.616000 179 Q A 2 "GLN " " CB " 6 0 1 1 78.21 2789 + 2790 3 29.098000 -12.404000 -5.076000 179 Q A 2 "GLN " " CG " 6 0 1 1 80.01 2790 + 2791 2 30.428000 -11.953000 -5.687000 179 Q A 2 "GLN " " CD " 6 0 1 1 85.16 2791 + 2792 15 31.450000 -11.905000 -5.005000 179 Q A 2 "GLN " " OE1" 8 0 1 1 84.82 2792 + 2793 25 30.427000 -11.639000 -6.983000 179 Q A 2 "GLN " " NE2" 7 0 1 1 87.34 2793 + 2794 43 28.890000 -10.905000 -1.353000 179 Q A 2 "GLN " " H " 1 0 1 1 72.35 2794 + 2795 41 29.734000 -9.940000 -3.866000 179 Q A 2 "GLN " " HA " 1 0 1 1 72.16 2795 + 2796 41 28.043000 -12.412000 -3.200000 179 Q A 2 "GLN " " HB3" 1 0 1 1 78.21 2796 + 2797 41 29.766000 -12.344000 -3.046000 179 Q A 2 "GLN " " HB2" 1 0 1 1 78.21 2797 + 2798 41 28.263000 -12.058000 -5.688000 179 Q A 2 "GLN " " HG3" 1 0 1 1 80.01 2798 + 2799 41 29.067000 -13.493000 -5.112000 179 Q A 2 "GLN " " HG2" 1 0 1 1 80.01 2799 + 2800 43 31.282000 -11.343000 -7.430000 179 Q A 2 "GLN " "HE22" 1 0 1 1 87.34 2800 + 2801 43 29.575000 -11.689000 -7.522000 179 Q A 2 "GLN " "HE21" 1 0 1 1 87.34 2801 + 2802 25 26.462000 -9.900000 -3.360000 180 G A 2 "GLY " " N " 7 0 1 1 75.86 2802 + 2803 3 25.187000 -9.353000 -3.809000 180 G A 2 "GLY " " CA " 6 0 1 1 65.79 2803 + 2804 2 25.101000 -7.828000 -3.657000 180 G A 2 "GLY " " C " 6 0 1 1 69.74 2804 + 2805 15 24.247000 -7.230000 -4.300000 180 G A 2 "GLY " " O " 8 0 1 1 69.05 2805 + 2806 43 26.470000 -10.367000 -2.464000 180 G A 2 "GLY " " H " 1 0 1 1 75.86 2806 + 2807 41 24.398000 -9.788000 -3.207000 180 G A 2 "GLY " " HA3" 1 0 1 1 65.79 2807 + 2808 41 24.994000 -9.636000 -4.846000 180 G A 2 "GLY " " HA2" 1 0 1 1 65.79 2808 + 2809 25 25.955000 -7.189000 -2.839000 181 M A 2 "MET " " N " 7 0 1 1 68.1 2809 + 2810 3 25.975000 -5.732000 -2.674000 181 M A 2 "MET " " CA " 6 0 1 1 69.02 2810 + 2811 2 26.972000 -5.010000 -3.580000 181 M A 2 "MET " " C " 6 0 1 1 73.09 2811 + 2812 15 26.850000 -3.789000 -3.705000 181 M A 2 "MET " " O " 8 0 1 1 79.06 2812 + 2813 3 26.293000 -5.364000 -1.226000 181 M A 2 "MET " " CB " 6 0 1 1 68.69 2813 + 2814 3 25.067000 -5.354000 -0.329000 181 M A 2 "MET " " CG " 6 0 1 1 74.52 2814 + 2815 49 25.482000 -4.785000 1.332000 181 M A 2 "MET " " SD " 16 0 1 1 62.71 2815 + 2816 3 26.134000 -6.356000 1.920000 181 M A 2 "MET " " CE " 6 0 1 1 63.02 2816 + 2817 43 26.646000 -7.716000 -2.322000 181 M A 2 "MET " " H " 1 0 1 1 68.1 2817 + 2818 41 24.994000 -5.319000 -2.900000 181 M A 2 "MET " " HA " 1 0 1 1 69.02 2818 + 2819 41 26.686000 -4.350000 -1.175000 181 M A 2 "MET " " HB3" 1 0 1 1 68.69 2819 + 2820 41 27.076000 -6.014000 -0.836000 181 M A 2 "MET " " HB2" 1 0 1 1 68.69 2820 + 2821 41 24.609000 -6.339000 -0.278000 181 M A 2 "MET " " HG3" 1 0 1 1 74.52 2821 + 2822 41 24.327000 -4.682000 -0.760000 181 M A 2 "MET " " HG2" 1 0 1 1 74.52 2822 + 2823 41 26.583000 -6.268000 2.903000 181 M A 2 "MET " " HE1" 1 0 1 1 63.02 2823 + 2824 41 25.331000 -7.089000 1.947000 181 M A 2 "MET " " HE2" 1 0 1 1 63.02 2824 + 2825 41 26.901000 -6.724000 1.254000 181 M A 2 "MET " " HE3" 1 0 1 1 63.02 2825 + 2826 25 27.941000 -5.740000 -4.158000 182 R A 2 "ARG " " N " 7 0 0 1 80.1 2826 + 2827 3 29.013000 -5.194000 -4.991000 182 R A 2 "ARG " " CA " 6 0 0 1 89.47 2827 + 2828 2 28.459000 -4.345000 -6.151000 182 R A 2 "ARG " " C " 6 0 0 1 92.28 2828 + 2829 15 27.390000 -4.669000 -6.665000 182 R A 2 "ARG " " O " 8 0 0 1 92.74 2829 + 2830 3 29.886000 -6.364000 -5.494000 182 R A 2 "ARG " " CB " 6 0 0 1 98.98 2830 + 2831 3 31.198000 -5.898000 -6.139000 182 R A 2 "ARG " " CG " 6 0 0 1 121.06 2831 + 2832 3 32.250000 -5.461000 -5.109000 182 R A 2 "ARG " " CD " 6 0 0 1 132.6 2832 + 2833 25 33.314000 -4.662000 -5.726000 182 R A 2 "ARG " " NE " 7 0 0 1 139.23 2833 + 2834 2 33.323000 -3.320000 -5.819000 182 R A 2 "ARG " " CZ " 6 0 0 1 141.2 2834 + 2835 25 32.360000 -2.570000 -5.260000 182 R A 2 "ARG " " NH1" 7 0 0 1 146.22 2835 + 2836 31 34.316000 -2.718000 -6.483000 182 R A 2 "ARG " " NH2" 7 1 0 1 138.66 2836 + 2837 43 27.968000 -6.738000 -3.997000 182 R A 2 "ARG " " H " 1 0 0 1 80.1 2837 + 2838 41 29.607000 -4.544000 -4.349000 182 R A 2 "ARG " " HA " 1 0 0 1 89.47 2838 + 2839 41 29.315000 -6.951000 -6.216000 182 R A 2 "ARG " " HB3" 1 0 0 1 98.98 2839 + 2840 41 30.118000 -7.044000 -4.673000 182 R A 2 "ARG " " HB2" 1 0 0 1 98.98 2840 + 2841 41 31.048000 -5.159000 -6.923000 182 R A 2 "ARG " " HG3" 1 0 0 1 121.06 2841 + 2842 41 31.602000 -6.778000 -6.642000 182 R A 2 "ARG " " HG2" 1 0 0 1 121.06 2842 + 2843 41 32.775000 -6.372000 -4.822000 182 R A 2 "ARG " " HD3" 1 0 0 1 132.6 2843 + 2844 41 31.854000 -5.051000 -4.180000 182 R A 2 "ARG " " HD2" 1 0 0 1 132.6 2844 + 2845 43 34.003000 -5.179000 -6.255000 182 R A 2 "ARG " " HE " 1 0 0 1 139.23 2845 + 2846 43 32.369000 -1.559000 -5.336000 182 R A 2 "ARG " "HH12" 1 0 0 1 146.22 2846 + 2847 43 31.639000 -3.010000 -4.710000 182 R A 2 "ARG " "HH11" 1 0 0 1 146.22 2847 + 2848 44 34.327000 -1.713000 -6.580000 182 R A 2 "ARG " "HH22" 1 0 0 1 138.66 2848 + 2849 44 35.022000 -3.269000 -6.951000 182 R A 2 "ARG " "HH21" 1 0 0 1 138.66 2849 + 2850 25 29.160000 -3.260000 -6.522000 183 K A 2 "LYS " " N " 7 0 0 1 91.89 2850 + 2851 3 28.681000 -2.288000 -7.513000 183 K A 2 "LYS " " CA " 6 0 0 1 93.13 2851 + 2852 2 28.379000 -2.911000 -8.891000 183 K A 2 "LYS " " C " 6 0 0 1 90.96 2852 + 2853 15 27.427000 -2.489000 -9.547000 183 K A 2 "LYS " " O " 8 0 0 1 90.12 2853 + 2854 3 29.692000 -1.127000 -7.617000 183 K A 2 "LYS " " CB " 6 0 0 1 101.03 2854 + 2855 3 29.145000 0.167000 -8.251000 183 K A 2 "LYS " " CG " 6 0 0 1 114.64 2855 + 2856 3 28.058000 0.834000 -7.391000 183 K A 2 "LYS " " CD " 6 0 0 1 123.34 2856 + 2857 3 27.649000 2.225000 -7.887000 183 K A 2 "LYS " " CE " 6 0 0 1 125.44 2857 + 2858 32 26.666000 2.842000 -6.978000 183 K A 2 "LYS " " NZ " 7 1 0 1 123.76 2858 + 2859 43 30.043000 -3.046000 -6.082000 183 K A 2 "LYS " " H " 1 0 0 1 91.89 2859 + 2860 41 27.737000 -1.910000 -7.120000 183 K A 2 "LYS " " HA " 1 0 0 1 93.13 2860 + 2861 41 30.581000 -1.455000 -8.155000 183 K A 2 "LYS " " HB3" 1 0 0 1 101.03 2861 + 2862 41 30.038000 -0.875000 -6.616000 183 K A 2 "LYS " " HB2" 1 0 0 1 101.03 2862 + 2863 41 28.760000 -0.032000 -9.252000 183 K A 2 "LYS " " HG3" 1 0 0 1 114.64 2863 + 2864 41 29.975000 0.863000 -8.382000 183 K A 2 "LYS " " HG2" 1 0 0 1 114.64 2864 + 2865 41 28.409000 0.902000 -6.363000 183 K A 2 "LYS " " HD3" 1 0 0 1 123.34 2865 + 2866 41 27.168000 0.206000 -7.367000 183 K A 2 "LYS " " HD2" 1 0 0 1 123.34 2866 + 2867 41 27.219000 2.160000 -8.887000 183 K A 2 "LYS " " HE3" 1 0 0 1 125.44 2867 + 2868 41 28.520000 2.877000 -7.950000 183 K A 2 "LYS " " HE2" 1 0 0 1 125.44 2868 + 2869 44 27.067000 2.932000 -6.054000 183 K A 2 "LYS " " HZ1" 1 0 0 1 123.76 2869 + 2870 44 26.415000 3.757000 -7.323000 183 K A 2 "LYS " " HZ2" 1 0 0 1 123.76 2870 + 2871 44 25.840000 2.264000 -6.925000 183 K A 2 "LYS " " HZ3" 1 0 0 1 123.76 2871 + 2872 25 29.153000 -3.954000 -9.237000 184 E A 2 "GLU " " N " 7 0 0 1 90.51 2872 + 2873 3 29.024000 -4.792000 -10.423000 184 E A 2 "GLU " " CA " 6 0 0 1 93.29 2873 + 2874 2 27.714000 -5.605000 -10.510000 184 E A 2 "GLU " " C " 6 0 0 1 91.83 2874 + 2875 15 27.358000 -5.973000 -11.628000 184 E A 2 "GLU " " O " 8 0 0 1 94.05 2875 + 2876 3 30.246000 -5.738000 -10.542000 184 E A 2 "GLU " " CB " 6 0 0 1 96.45 2876 + 2877 3 31.622000 -5.054000 -10.724000 184 E A 2 "GLU " " CG " 6 0 0 1 112.24 2877 + 2878 2 32.277000 -4.580000 -9.424000 184 E A 2 "GLU " " CD " 6 0 0 1 118.3 2878 + 2879 15 32.958000 -5.415000 -8.791000 184 E A 2 "GLU " " OE1" 8 0 0 1 121.5 2879 + 2880 18 32.086000 -3.395000 -9.075000 184 E A 2 "GLU " " OE2" 8 -1 0 1 119.47 2880 + 2881 43 29.929000 -4.187000 -8.634000 184 E A 2 "GLU " " H " 1 0 0 1 90.51 2881 + 2882 41 29.033000 -4.124000 -11.286000 184 E A 2 "GLU " " HA " 1 0 0 1 93.29 2882 + 2883 41 30.096000 -6.405000 -11.392000 184 E A 2 "GLU " " HB3" 1 0 0 1 96.45 2883 + 2884 41 30.281000 -6.394000 -9.670000 184 E A 2 "GLU " " HB2" 1 0 0 1 96.45 2884 + 2885 41 31.540000 -4.218000 -11.418000 184 E A 2 "GLU " " HG3" 1 0 0 1 112.24 2885 + 2886 41 32.309000 -5.762000 -11.190000 184 E A 2 "GLU " " HG2" 1 0 0 1 112.24 2886 + 2887 25 27.022000 -5.869000 -9.380000 185 E A 2 "GLU " " N " 7 0 0 1 87.69 2887 + 2888 3 25.727000 -6.566000 -9.335000 185 E A 2 "GLU " " CA " 6 0 0 1 78.61 2888 + 2889 2 24.638000 -5.748000 -10.073000 185 E A 2 "GLU " " C " 6 0 0 1 76.36 2889 + 2890 15 24.325000 -4.653000 -9.597000 185 E A 2 "GLU " " O " 8 0 0 1 76.41 2890 + 2891 3 25.326000 -6.850000 -7.863000 185 E A 2 "GLU " " CB " 6 0 0 1 78.71 2891 + 2892 3 23.910000 -7.437000 -7.654000 185 E A 2 "GLU " " CG " 6 0 0 1 84.71 2892 + 2893 2 23.629000 -8.698000 -8.462000 185 E A 2 "GLU " " CD " 6 0 0 1 89.02 2893 + 2894 15 24.404000 -9.671000 -8.322000 185 E A 2 "GLU " " OE1" 8 0 0 1 91.21 2894 + 2895 18 22.638000 -8.663000 -9.219000 185 E A 2 "GLU " " OE2" 8 -1 0 1 88.44 2895 + 2896 43 27.363000 -5.519000 -8.494000 185 E A 2 "GLU " " H " 1 0 0 1 87.69 2896 + 2897 41 25.881000 -7.543000 -9.785000 185 E A 2 "GLU " " HA " 1 0 0 1 78.61 2897 + 2898 41 25.372000 -5.931000 -7.285000 185 E A 2 "GLU " " HB3" 1 0 0 1 78.71 2898 + 2899 41 26.059000 -7.520000 -7.412000 185 E A 2 "GLU " " HB2" 1 0 0 1 78.71 2899 + 2900 41 23.152000 -6.686000 -7.880000 185 E A 2 "GLU " " HG3" 1 0 0 1 84.71 2900 + 2901 41 23.758000 -7.695000 -6.612000 185 E A 2 "GLU " " HG2" 1 0 0 1 84.71 2901 + 2902 25 24.105000 -6.257000 -11.214000 186 P A 2 "PRO " " N " 7 0 0 1 78.23 2902 + 2903 3 23.087000 -5.534000 -12.000000 186 P A 2 "PRO " " CA " 6 0 0 1 79.49 2903 + 2904 2 21.763000 -5.258000 -11.264000 186 P A 2 "PRO " " C " 6 0 0 1 83.83 2904 + 2905 15 21.382000 -4.092000 -11.155000 186 P A 2 "PRO " " O " 8 0 0 1 90.76 2905 + 2906 3 22.879000 -6.406000 -13.256000 186 P A 2 "PRO " " CB " 6 0 0 1 79.37 2906 + 2907 3 24.143000 -7.235000 -13.363000 186 P A 2 "PRO " " CG " 6 0 0 1 74.93 2907 + 2908 3 24.499000 -7.488000 -11.908000 186 P A 2 "PRO " " CD " 6 0 0 1 77.22 2908 + 2909 41 23.532000 -4.584000 -12.303000 186 P A 2 "PRO " " HA " 1 0 0 1 79.49 2909 + 2910 41 22.703000 -5.810000 -14.152000 186 P A 2 "PRO " " HB3" 1 0 0 1 79.37 2910 + 2911 41 22.029000 -7.080000 -13.143000 186 P A 2 "PRO " " HB2" 1 0 0 1 79.37 2911 + 2912 41 24.929000 -6.641000 -13.831000 186 P A 2 "PRO " " HG3" 1 0 0 1 74.93 2912 + 2913 41 24.016000 -8.149000 -13.944000 186 P A 2 "PRO " " HG2" 1 0 0 1 74.93 2913 + 2914 41 23.918000 -8.322000 -11.514000 186 P A 2 "PRO " " HD2" 1 0 0 1 77.22 2914 + 2915 41 25.553000 -7.749000 -11.841000 186 P A 2 "PRO " " HD3" 1 0 0 1 77.22 2915 + 2916 25 21.087000 -6.321000 -10.793000 187 S A 2 "SER " " N " 7 0 0 1 83.03 2916 + 2917 3 19.760000 -6.242000 -10.183000 187 S A 2 "SER " " CA " 6 0 0 1 82.53 2917 + 2918 2 19.809000 -5.549000 -8.815000 187 S A 2 "SER " " C " 6 0 0 1 81.18 2918 + 2919 15 20.503000 -6.023000 -7.916000 187 S A 2 "SER " " O " 8 0 0 1 85.41 2919 + 2920 3 19.158000 -7.658000 -10.087000 187 S A 2 "SER " " CB " 6 0 0 1 88.18 2920 + 2921 16 17.852000 -7.643000 -9.540000 187 S A 2 "SER " " OG " 8 0 0 1 83.86 2921 + 2922 43 21.488000 -7.248000 -10.862000 187 S A 2 "SER " " H " 1 0 0 1 83.03 2922 + 2923 41 19.124000 -5.657000 -10.851000 187 S A 2 "SER " " HA " 1 0 0 1 82.53 2923 + 2924 41 19.787000 -8.296000 -9.467000 187 S A 2 "SER " " HB3" 1 0 0 1 88.18 2924 + 2925 41 19.111000 -8.118000 -11.075000 187 S A 2 "SER " " HB2" 1 0 0 1 88.18 2925 + 2926 42 17.530000 -8.548000 -9.508000 187 S A 2 "SER " " HG " 1 0 0 1 83.86 2926 + 2927 25 19.034000 -4.460000 -8.677000 188 N A 2 "ASN " " N " 7 0 1 1 75.49 2927 + 2928 3 18.848000 -3.753000 -7.406000 188 N A 2 "ASN " " CA " 6 0 1 1 72.95 2928 + 2929 2 17.911000 -4.504000 -6.447000 188 N A 2 "ASN " " C " 6 0 1 1 72.5 2929 + 2930 15 17.954000 -4.214000 -5.254000 188 N A 2 "ASN " " O " 8 0 1 1 81.03 2930 + 2931 3 18.349000 -2.314000 -7.659000 188 N A 2 "ASN " " CB " 6 0 1 1 73.06 2931 + 2932 2 19.394000 -1.398000 -8.307000 188 N A 2 "ASN " " CG " 6 0 1 1 78.45 2932 + 2933 15 20.600000 -1.611000 -8.188000 188 N A 2 "ASN " " OD1" 8 0 1 1 83.35 2933 + 2934 25 18.927000 -0.340000 -8.973000 188 N A 2 "ASN " " ND2" 7 0 1 1 86.77 2934 + 2935 43 18.500000 -4.122000 -9.464000 188 N A 2 "ASN " " H " 1 0 1 1 75.49 2935 + 2936 41 19.832000 -3.697000 -6.947000 188 N A 2 "ASN " " HA " 1 0 1 1 72.95 2936 + 2937 41 18.085000 -1.845000 -6.709000 188 N A 2 "ASN " " HB3" 1 0 1 1 73.06 2937 + 2938 41 17.437000 -2.328000 -8.258000 188 N A 2 "ASN " " HB2" 1 0 1 1 73.06 2938 + 2939 43 19.567000 0.299000 -9.420000 188 N A 2 "ASN " "HD22" 1 0 1 1 86.77 2939 + 2940 43 17.932000 -0.178000 -9.042000 188 N A 2 "ASN " "HD21" 1 0 1 1 86.77 2940 + 2941 25 17.122000 -5.469000 -6.953000 189 N A 2 "ASN " " N " 7 0 1 1 63.78 2941 + 2942 3 16.321000 -6.384000 -6.136000 189 N A 2 "ASN " " CA " 6 0 1 1 67.12 2942 + 2943 2 17.207000 -7.391000 -5.374000 189 N A 2 "ASN " " C " 6 0 1 1 68.07 2943 + 2944 15 16.924000 -7.664000 -4.208000 189 N A 2 "ASN " " O " 8 0 1 1 62.02 2944 + 2945 3 15.293000 -7.125000 -7.012000 189 N A 2 "ASN " " CB " 6 0 1 1 71.11 2945 + 2946 2 14.254000 -6.226000 -7.679000 189 N A 2 "ASN " " CG " 6 0 1 1 73.87 2946 + 2947 15 14.334000 -5.960000 -8.874000 189 N A 2 "ASN " " OD1" 8 0 1 1 71.91 2947 + 2948 25 13.234000 -5.815000 -6.922000 189 N A 2 "ASN " " ND2" 7 0 1 1 76.71 2948 + 2949 43 17.142000 -5.660000 -7.945000 189 N A 2 "ASN " " H " 1 0 1 1 63.78 2949 + 2950 41 15.779000 -5.786000 -5.400000 189 N A 2 "ASN " " HA " 1 0 1 1 67.12 2950 + 2951 41 14.733000 -7.809000 -6.388000 189 N A 2 "ASN " " HB3" 1 0 1 1 71.11 2951 + 2952 41 15.787000 -7.734000 -7.769000 189 N A 2 "ASN " " HB2" 1 0 1 1 71.11 2952 + 2953 43 12.489000 -5.275000 -7.339000 189 N A 2 "ASN " "HD22" 1 0 1 1 76.71 2953 + 2954 43 13.181000 -6.088000 -5.950000 189 N A 2 "ASN " "HD21" 1 0 1 1 76.71 2954 + 2955 25 18.286000 -7.875000 -6.022000 190 V A 2 "VAL " " N " 7 0 1 1 62.23 2955 + 2956 3 19.342000 -8.675000 -5.391000 190 V A 2 "VAL " " CA " 6 0 1 1 63.6 2956 + 2957 2 20.156000 -7.828000 -4.394000 190 V A 2 "VAL " " C " 6 0 1 1 65.72 2957 + 2958 15 20.400000 -8.291000 -3.281000 190 V A 2 "VAL " " O " 8 0 1 1 69.31 2958 + 2959 3 20.326000 -9.281000 -6.439000 190 V A 2 "VAL " " CB " 6 0 1 1 66.05 2959 + 2960 3 21.567000 -9.978000 -5.839000 190 V A 2 "VAL " " CG1" 6 0 1 1 63.37 2960 + 2961 3 19.620000 -10.281000 -7.367000 190 V A 2 "VAL " " CG2" 6 0 1 1 71.92 2961 + 2962 43 18.449000 -7.607000 -6.982000 190 V A 2 "VAL " " H " 1 0 1 1 62.23 2962 + 2963 41 18.869000 -9.492000 -4.842000 190 V A 2 "VAL " " HA " 1 0 1 1 63.6 2963 + 2964 41 20.690000 -8.472000 -7.071000 190 V A 2 "VAL " " HB " 1 0 1 1 66.05 2964 + 2965 41 22.160000 -10.461000 -6.615000 190 V A 2 "VAL " "HG11" 1 0 1 1 63.37 2965 + 2966 41 22.233000 -9.288000 -5.321000 190 V A 2 "VAL " "HG12" 1 0 1 1 63.37 2966 + 2967 41 21.264000 -10.754000 -5.139000 190 V A 2 "VAL " "HG13" 1 0 1 1 63.37 2967 + 2968 41 20.275000 -10.584000 -8.184000 190 V A 2 "VAL " "HG21" 1 0 1 1 71.92 2968 + 2969 41 19.347000 -11.182000 -6.822000 190 V A 2 "VAL " "HG22" 1 0 1 1 71.92 2969 + 2970 41 18.716000 -9.867000 -7.812000 190 V A 2 "VAL " "HG23" 1 0 1 1 71.92 2970 + 2971 25 20.526000 -6.601000 -4.806000 191 K A 2 "LYS " " N " 7 0 1 1 63.22 2971 + 2972 3 21.300000 -5.640000 -4.017000 191 K A 2 "LYS " " CA " 6 0 1 1 64.16 2972 + 2973 2 20.579000 -5.197000 -2.734000 191 K A 2 "LYS " " C " 6 0 1 1 57.15 2973 + 2974 15 21.243000 -5.017000 -1.716000 191 K A 2 "LYS " " O " 8 0 1 1 54.23 2974 + 2975 3 21.688000 -4.450000 -4.919000 191 K A 2 "LYS " " CB " 6 0 1 1 56.88 2975 + 2976 3 22.934000 -3.670000 -4.463000 191 K A 2 "LYS " " CG " 6 0 1 1 55.31 2976 + 2977 3 23.366000 -2.557000 -5.435000 191 K A 2 "LYS " " CD " 6 0 1 1 71.17 2977 + 2978 3 23.859000 -3.092000 -6.792000 191 K A 2 "LYS " " CE " 6 0 1 1 74.46 2978 + 2979 32 24.337000 -2.016000 -7.673000 191 K A 2 "LYS " " NZ " 7 1 1 1 81.75 2979 + 2980 43 20.293000 -6.312000 -5.747000 191 K A 2 "LYS " " H " 1 0 1 1 63.22 2980 + 2981 41 22.204000 -6.144000 -3.690000 191 K A 2 "LYS " " HA " 1 0 1 1 64.16 2981 + 2982 41 20.843000 -3.769000 -5.024000 191 K A 2 "LYS " " HB3" 1 0 1 1 56.88 2982 + 2983 41 21.895000 -4.846000 -5.911000 191 K A 2 "LYS " " HB2" 1 0 1 1 56.88 2983 + 2984 41 23.761000 -4.367000 -4.357000 191 K A 2 "LYS " " HG3" 1 0 1 1 55.31 2984 + 2985 41 22.759000 -3.242000 -3.475000 191 K A 2 "LYS " " HG2" 1 0 1 1 55.31 2985 + 2986 41 24.156000 -1.969000 -4.965000 191 K A 2 "LYS " " HD3" 1 0 1 1 71.17 2986 + 2987 41 22.531000 -1.873000 -5.592000 191 K A 2 "LYS " " HD2" 1 0 1 1 71.17 2987 + 2988 41 23.063000 -3.620000 -7.319000 191 K A 2 "LYS " " HE3" 1 0 1 1 74.46 2988 + 2989 41 24.674000 -3.800000 -6.642000 191 K A 2 "LYS " " HE2" 1 0 1 1 74.46 2989 + 2990 44 25.105000 -1.533000 -7.233000 191 K A 2 "LYS " " HZ1" 1 0 1 1 81.75 2990 + 2991 44 24.650000 -2.427000 -8.543000 191 K A 2 "LYS " " HZ2" 1 0 1 1 81.75 2991 + 2992 44 23.580000 -1.374000 -7.860000 191 K A 2 "LYS " " HZ3" 1 0 1 1 81.75 2992 + 2993 25 19.239000 -5.105000 -2.792000 192 L A 2 "LEU " " N " 7 0 1 1 50.46 2993 + 2994 3 18.350000 -4.882000 -1.655000 192 L A 2 "LEU " " CA " 6 0 1 1 52.37 2994 + 2995 2 18.398000 -6.045000 -0.654000 192 L A 2 "LEU " " C " 6 0 1 1 57.11 2995 + 2996 15 18.723000 -5.808000 0.507000 192 L A 2 "LEU " " O " 8 0 1 1 71.44 2996 + 2997 3 16.914000 -4.616000 -2.170000 192 L A 2 "LEU " " CB " 6 0 1 1 47.29 2997 + 2998 3 15.849000 -4.385000 -1.076000 192 L A 2 "LEU " " CG " 6 0 1 1 44.18 2998 + 2999 3 16.219000 -3.209000 -0.153000 192 L A 2 "LEU " " CD1" 6 0 1 1 47.3 2999 + 3000 3 14.447000 -4.223000 -1.695000 192 L A 2 "LEU " " CD2" 6 0 1 1 55.57 3000 + 3001 43 18.782000 -5.249000 -3.682000 192 L A 2 "LEU " " H " 1 0 1 1 50.46 3001 + 3002 41 18.706000 -3.990000 -1.136000 192 L A 2 "LEU " " HA " 1 0 1 1 52.37 3002 + 3003 41 16.598000 -5.456000 -2.789000 192 L A 2 "LEU " " HB3" 1 0 1 1 47.29 3003 + 3004 41 16.917000 -3.754000 -2.836000 192 L A 2 "LEU " " HB2" 1 0 1 1 47.29 3004 + 3005 41 15.792000 -5.282000 -0.464000 192 L A 2 "LEU " " HG " 1 0 1 1 44.18 3005 + 3006 41 15.344000 -2.674000 0.214000 192 L A 2 "LEU " "HD11" 1 0 1 1 47.3 3006 + 3007 41 16.772000 -3.552000 0.722000 192 L A 2 "LEU " "HD12" 1 0 1 1 47.3 3007 + 3008 41 16.852000 -2.490000 -0.669000 192 L A 2 "LEU " "HD13" 1 0 1 1 47.3 3008 + 3009 41 13.742000 -4.927000 -1.251000 192 L A 2 "LEU " "HD21" 1 0 1 1 55.57 3009 + 3010 41 14.041000 -3.223000 -1.553000 192 L A 2 "LEU " "HD22" 1 0 1 1 55.57 3010 + 3011 41 14.450000 -4.409000 -2.770000 192 L A 2 "LEU " "HD23" 1 0 1 1 55.57 3011 + 3012 25 18.083000 -7.267000 -1.126000 193 A A 2 "ALA " " N " 7 0 1 1 58.35 3012 + 3013 3 18.056000 -8.502000 -0.333000 193 A A 2 "ALA " " CA " 6 0 1 1 55.61 3013 + 3014 2 19.390000 -8.817000 0.366000 193 A A 2 "ALA " " C " 6 0 1 1 51.29 3014 + 3015 15 19.381000 -9.267000 1.512000 193 A A 2 "ALA " " O " 8 0 1 1 48.21 3015 + 3016 3 17.627000 -9.670000 -1.236000 193 A A 2 "ALA " " CB " 6 0 1 1 63.93 3016 + 3017 43 17.833000 -7.368000 -2.101000 193 A A 2 "ALA " " H " 1 0 1 1 58.35 3017 + 3018 41 17.299000 -8.376000 0.443000 193 A A 2 "ALA " " HA " 1 0 1 1 55.61 3018 + 3019 41 17.591000 -10.608000 -0.681000 193 A A 2 "ALA " " HB1" 1 0 1 1 63.93 3019 + 3020 41 16.632000 -9.500000 -1.651000 193 A A 2 "ALA " " HB2" 1 0 1 1 63.93 3020 + 3021 41 18.313000 -9.807000 -2.072000 193 A A 2 "ALA " " HB3" 1 0 1 1 63.93 3021 + 3022 25 20.501000 -8.524000 -0.328000 194 A A 2 "ALA " " N " 7 0 1 1 49.13 3022 + 3023 3 21.868000 -8.611000 0.166000 194 A A 2 "ALA " " CA " 6 0 1 1 52.2 3023 + 3024 2 22.165000 -7.614000 1.301000 194 A A 2 "ALA " " C " 6 0 1 1 51.97 3024 + 3025 15 22.704000 -8.030000 2.324000 194 A A 2 "ALA " " O " 8 0 1 1 57.91 3025 + 3026 3 22.814000 -8.401000 -1.020000 194 A A 2 "ALA " " CB " 6 0 1 1 52.77 3026 + 3027 43 20.402000 -8.180000 -1.275000 194 A A 2 "ALA " " H " 1 0 1 1 49.13 3027 + 3028 41 22.021000 -9.621000 0.552000 194 A A 2 "ALA " " HA " 1 0 1 1 52.2 3028 + 3029 41 23.851000 -8.514000 -0.722000 194 A A 2 "ALA " " HB1" 1 0 1 1 52.77 3029 + 3030 41 22.620000 -9.130000 -1.804000 194 A A 2 "ALA " " HB2" 1 0 1 1 52.77 3030 + 3031 41 22.699000 -7.410000 -1.461000 194 A A 2 "ALA " " HB3" 1 0 1 1 52.77 3031 + 3032 25 21.778000 -6.337000 1.128000 195 T A 2 "THR " " N " 7 0 1 1 42.15 3032 + 3033 3 21.936000 -5.284000 2.140000 195 T A 2 "THR " " CA " 6 0 1 1 40.49 3033 + 3034 2 21.067000 -5.502000 3.398000 195 T A 2 "THR " " C " 6 0 1 1 47.63 3034 + 3035 15 21.533000 -5.213000 4.501000 195 T A 2 "THR " " O " 8 0 1 1 56.48 3035 + 3036 3 21.615000 -3.876000 1.569000 195 T A 2 "THR " " CB " 6 0 1 1 41.05 3036 + 3037 16 22.448000 -3.585000 0.471000 195 T A 2 "THR " " OG1" 8 0 1 1 53.04 3037 + 3038 3 21.834000 -2.715000 2.542000 195 T A 2 "THR " " CG2" 6 0 1 1 45.76 3038 + 3039 43 21.348000 -6.052000 0.258000 195 T A 2 "THR " " H " 1 0 1 1 42.15 3039 + 3040 41 22.973000 -5.297000 2.474000 195 T A 2 "THR " " HA " 1 0 1 1 40.49 3040 + 3041 41 20.585000 -3.848000 1.210000 195 T A 2 "THR " " HB " 1 0 1 1 41.05 3041 + 3042 42 23.355000 -3.528000 0.783000 195 T A 2 "THR " " HG1" 1 0 1 1 53.04 3042 + 3043 41 21.656000 -1.766000 2.039000 195 T A 2 "THR " "HG21" 1 0 1 1 45.76 3043 + 3044 41 21.159000 -2.768000 3.392000 195 T A 2 "THR " "HG22" 1 0 1 1 45.76 3044 + 3045 41 22.855000 -2.702000 2.925000 195 T A 2 "THR " "HG23" 1 0 1 1 45.76 3045 + 3046 25 19.849000 -6.044000 3.224000 196 N A 2 "ASN " " N " 7 0 1 1 47.37 3046 + 3047 3 18.949000 -6.426000 4.320000 196 N A 2 "ASN " " CA " 6 0 1 1 48.9 3047 + 3048 2 19.500000 -7.602000 5.142000 196 N A 2 "ASN " " C " 6 0 1 1 56.93 3048 + 3049 15 19.316000 -7.608000 6.359000 196 N A 2 "ASN " " O " 8 0 1 1 71.19 3049 + 3050 3 17.553000 -6.775000 3.760000 196 N A 2 "ASN " " CB " 6 0 1 1 53.88 3050 + 3051 2 16.776000 -5.572000 3.216000 196 N A 2 "ASN " " CG " 6 0 1 1 54.86 3051 + 3052 15 16.875000 -4.462000 3.733000 196 N A 2 "ASN " " OD1" 8 0 1 1 58.08 3052 + 3053 25 15.968000 -5.801000 2.182000 196 N A 2 "ASN " " ND2" 7 0 1 1 70.3 3053 + 3054 43 19.521000 -6.235000 2.286000 196 N A 2 "ASN " " H " 1 0 1 1 47.37 3054 + 3055 41 18.870000 -5.553000 4.971000 196 N A 2 "ASN " " HA " 1 0 1 1 48.9 3055 + 3056 41 16.937000 -7.201000 4.553000 196 N A 2 "ASN " " HB3" 1 0 1 1 53.88 3056 + 3057 41 17.636000 -7.546000 2.992000 196 N A 2 "ASN " " HB2" 1 0 1 1 53.88 3057 + 3058 43 15.421000 -5.046000 1.795000 196 N A 2 "ASN " "HD22" 1 0 1 1 70.3 3058 + 3059 43 15.893000 -6.725000 1.782000 196 N A 2 "ASN " "HD21" 1 0 1 1 70.3 3059 + 3060 25 20.189000 -8.547000 4.479000 197 A A 2 "ALA " " N " 7 0 1 1 56.71 3060 + 3061 3 20.879000 -9.657000 5.129000 197 A A 2 "ALA " " CA " 6 0 1 1 61.15 3061 + 3062 2 22.129000 -9.217000 5.906000 197 A A 2 "ALA " " C " 6 0 1 1 66.41 3062 + 3063 15 22.385000 -9.789000 6.966000 197 A A 2 "ALA " " O " 8 0 1 1 70.43 3063 + 3064 3 21.219000 -10.733000 4.089000 197 A A 2 "ALA " " CB " 6 0 1 1 49.09 3064 + 3065 43 20.284000 -8.486000 3.474000 197 A A 2 "ALA " " H " 1 0 1 1 56.71 3065 + 3066 41 20.188000 -10.092000 5.852000 197 A A 2 "ALA " " HA " 1 0 1 1 61.15 3066 + 3067 41 21.721000 -11.582000 4.552000 197 A A 2 "ALA " " HB1" 1 0 1 1 49.09 3067 + 3068 41 20.314000 -11.108000 3.613000 197 A A 2 "ALA " " HB2" 1 0 1 1 49.09 3068 + 3069 41 21.868000 -10.349000 3.304000 197 A A 2 "ALA " " HB3" 1 0 1 1 49.09 3069 + 3070 25 22.855000 -8.198000 5.398000 198 L A 2 "LEU " " N " 7 0 1 1 61.5 3070 + 3071 3 24.025000 -7.606000 6.060000 198 L A 2 "LEU " " CA " 6 0 1 1 49.91 3071 + 3072 2 23.696000 -7.021000 7.435000 198 L A 2 "LEU " " C " 6 0 1 1 50.54 3072 + 3073 15 24.491000 -7.213000 8.351000 198 L A 2 "LEU " " O " 8 0 1 1 54.77 3073 + 3074 3 24.705000 -6.539000 5.172000 198 L A 2 "LEU " " CB " 6 0 1 1 43.15 3074 + 3075 3 26.025000 -5.933000 5.740000 198 L A 2 "LEU " " CG " 6 0 1 1 42.28 3075 + 3076 3 27.172000 -6.958000 5.859000 198 L A 2 "LEU " " CD1" 6 0 1 1 37.58 3076 + 3077 3 26.447000 -4.651000 4.994000 198 L A 2 "LEU " " CD2" 6 0 1 1 33.37 3077 + 3078 43 22.587000 -7.790000 4.513000 198 L A 2 "LEU " " H " 1 0 1 1 61.5 3078 + 3079 41 24.730000 -8.421000 6.205000 198 L A 2 "LEU " " HA " 1 0 1 1 49.91 3079 + 3080 41 23.997000 -5.729000 5.004000 198 L A 2 "LEU " " HB3" 1 0 1 1 43.15 3080 + 3081 41 24.887000 -6.974000 4.195000 198 L A 2 "LEU " " HB2" 1 0 1 1 43.15 3081 + 3082 41 25.833000 -5.593000 6.756000 198 L A 2 "LEU " " HG " 1 0 1 1 42.28 3082 + 3083 41 28.094000 -6.621000 5.384000 198 L A 2 "LEU " "HD11" 1 0 1 1 37.58 3083 + 3084 41 27.408000 -7.152000 6.906000 198 L A 2 "LEU " "HD12" 1 0 1 1 37.58 3084 + 3085 41 26.921000 -7.915000 5.410000 198 L A 2 "LEU " "HD13" 1 0 1 1 37.58 3085 + 3086 41 26.588000 -3.830000 5.699000 198 L A 2 "LEU " "HD21" 1 0 1 1 33.37 3086 + 3087 41 27.384000 -4.761000 4.449000 198 L A 2 "LEU " "HD22" 1 0 1 1 33.37 3087 + 3088 41 25.692000 -4.325000 4.280000 198 L A 2 "LEU " "HD23" 1 0 1 1 33.37 3088 + 3089 25 22.538000 -6.348000 7.548000 199 L A 2 "LEU " " N " 7 0 1 1 43.83 3089 + 3090 3 22.066000 -5.676000 8.759000 199 L A 2 "LEU " " CA " 6 0 1 1 44.12 3090 + 3091 2 21.942000 -6.615000 9.974000 199 L A 2 "LEU " " C " 6 0 1 1 52.79 3091 + 3092 15 22.296000 -6.224000 11.088000 199 L A 2 "LEU " " O " 8 0 1 1 60.82 3092 + 3093 3 20.729000 -4.976000 8.426000 199 L A 2 "LEU " " CB " 6 0 1 1 34.58 3093 + 3094 3 20.232000 -3.979000 9.491000 199 L A 2 "LEU " " CG " 6 0 1 1 37.38 3094 + 3095 3 21.215000 -2.817000 9.679000 199 L A 2 "LEU " " CD1" 6 0 1 1 48.5 3095 + 3096 3 18.839000 -3.446000 9.124000 199 L A 2 "LEU " " CD2" 6 0 1 1 42.46 3096 + 3097 43 21.948000 -6.255000 6.734000 199 L A 2 "LEU " " H " 1 0 1 1 43.83 3097 + 3098 41 22.813000 -4.923000 9.009000 199 L A 2 "LEU " " HA " 1 0 1 1 44.12 3098 + 3099 41 19.963000 -5.735000 8.257000 199 L A 2 "LEU " " HB3" 1 0 1 1 34.58 3099 + 3100 41 20.827000 -4.445000 7.478000 199 L A 2 "LEU " " HB2" 1 0 1 1 34.58 3100 + 3101 41 20.130000 -4.495000 10.446000 199 L A 2 "LEU " " HG " 1 0 1 1 37.38 3101 + 3102 41 20.736000 -1.972000 10.170000 199 L A 2 "LEU " "HD11" 1 0 1 1 48.5 3102 + 3103 41 22.068000 -3.104000 10.290000 199 L A 2 "LEU " "HD12" 1 0 1 1 48.5 3103 + 3104 41 21.598000 -2.477000 8.718000 199 L A 2 "LEU " "HD13" 1 0 1 1 48.5 3104 + 3105 41 18.436000 -2.812000 9.915000 199 L A 2 "LEU " "HD21" 1 0 1 1 42.46 3105 + 3106 41 18.870000 -2.856000 8.207000 199 L A 2 "LEU " "HD22" 1 0 1 1 42.46 3106 + 3107 41 18.133000 -4.262000 8.968000 199 L A 2 "LEU " "HD23" 1 0 1 1 42.46 3107 + 3108 25 21.490000 -7.849000 9.710000 200 N A 2 "ASN " " N " 7 0 1 1 59.36 3108 + 3109 3 21.335000 -8.920000 10.694000 200 N A 2 "ASN " " CA " 6 0 1 1 67.05 3109 + 3110 2 22.655000 -9.669000 10.961000 200 N A 2 "ASN " " C " 6 0 1 1 66.56 3110 + 3111 15 22.791000 -10.260000 12.032000 200 N A 2 "ASN " " O " 8 0 1 1 60.76 3111 + 3112 3 20.247000 -9.902000 10.201000 200 N A 2 "ASN " " CB " 6 0 1 1 75.08 3112 + 3113 2 18.897000 -9.231000 9.926000 200 N A 2 "ASN " " CG " 6 0 1 1 78.28 3113 + 3114 15 18.410000 -8.442000 10.733000 200 N A 2 "ASN " " OD1" 8 0 1 1 74.45 3114 + 3115 25 18.283000 -9.543000 8.783000 200 N A 2 "ASN " " ND2" 7 0 1 1 79.55 3115 + 3116 43 21.240000 -8.083000 8.760000 200 N A 2 "ASN " " H " 1 0 1 1 59.36 3116 + 3117 41 21.013000 -8.494000 11.647000 200 N A 2 "ASN " " HA " 1 0 1 1 67.05 3117 + 3118 41 20.086000 -10.676000 10.950000 200 N A 2 "ASN " " HB3" 1 0 1 1 75.08 3118 + 3119 41 20.587000 -10.406000 9.295000 200 N A 2 "ASN " " HB2" 1 0 1 1 75.08 3119 + 3120 43 17.390000 -9.127000 8.562000 200 N A 2 "ASN " "HD22" 1 0 1 1 79.55 3120 + 3121 43 18.687000 -10.215000 8.147000 200 N A 2 "ASN " "HD21" 1 0 1 1 79.55 3121 + 3122 25 23.600000 -9.631000 10.003000 201 S A 2 "SER " " N " 7 0 1 1 65.2 3122 + 3123 3 24.896000 -10.305000 10.095000 201 S A 2 "SER " " CA " 6 0 1 1 71.45 3123 + 3124 2 25.965000 -9.525000 10.889000 201 S A 2 "SER " " C " 6 0 1 1 70.81 3124 + 3125 15 26.956000 -10.145000 11.266000 201 S A 2 "SER " " O " 8 0 1 1 72.08 3125 + 3126 3 25.372000 -10.719000 8.683000 201 S A 2 "SER " " CB " 6 0 1 1 70.94 3126 + 3127 16 26.033000 -9.682000 7.988000 201 S A 2 "SER " " OG " 8 0 1 1 85.74 3127 + 3128 43 23.421000 -9.122000 9.149000 201 S A 2 "SER " " H " 1 0 1 1 65.2 3128 + 3129 41 24.728000 -11.231000 10.641000 201 S A 2 "SER " " HA " 1 0 1 1 71.45 3129 + 3130 41 24.543000 -11.095000 8.082000 201 S A 2 "SER " " HB3" 1 0 1 1 70.94 3130 + 3131 41 26.081000 -11.544000 8.769000 201 S A 2 "SER " " HB2" 1 0 1 1 70.94 3131 + 3132 42 25.449000 -8.919000 7.945000 201 S A 2 "SER " " HG " 1 0 1 1 85.74 3132 + 3133 25 25.762000 -8.217000 11.158000 202 L A 2 "LEU " " N " 7 0 0 1 70.48 3133 + 3134 3 26.706000 -7.350000 11.892000 202 L A 2 "LEU " " CA " 6 0 0 1 71.69 3134 + 3135 2 27.097000 -7.868000 13.293000 202 L A 2 "LEU " " C " 6 0 0 1 77.89 3135 + 3136 15 28.194000 -7.565000 13.759000 202 L A 2 "LEU " " O " 8 0 0 1 73.85 3136 + 3137 3 26.146000 -5.912000 12.020000 202 L A 2 "LEU " " CB " 6 0 0 1 59.4 3137 + 3138 3 25.935000 -5.156000 10.692000 202 L A 2 "LEU " " CG " 6 0 0 1 56.76 3138 + 3139 3 25.251000 -3.801000 10.931000 202 L A 2 "LEU " " CD1" 6 0 0 1 58.69 3139 + 3140 3 27.239000 -4.998000 9.884000 202 L A 2 "LEU " " CD2" 6 0 0 1 53.72 3140 + 3141 43 24.927000 -7.769000 10.809000 202 L A 2 "LEU " " H " 1 0 0 1 70.48 3141 + 3142 41 27.621000 -7.311000 11.304000 202 L A 2 "LEU " " HA " 1 0 0 1 71.69 3142 + 3143 41 26.823000 -5.318000 12.636000 202 L A 2 "LEU " " HB3" 1 0 0 1 59.4 3143 + 3144 41 25.200000 -5.945000 12.563000 202 L A 2 "LEU " " HB2" 1 0 0 1 59.4 3144 + 3145 41 25.241000 -5.728000 10.088000 202 L A 2 "LEU " " HG " 1 0 0 1 56.76 3145 + 3146 41 25.363000 -3.125000 10.083000 202 L A 2 "LEU " "HD11" 1 0 0 1 58.69 3146 + 3147 41 24.182000 -3.940000 11.083000 202 L A 2 "LEU " "HD12" 1 0 0 1 58.69 3147 + 3148 41 25.651000 -3.298000 11.811000 202 L A 2 "LEU " "HD13" 1 0 0 1 58.69 3148 + 3149 41 27.353000 -4.000000 9.463000 202 L A 2 "LEU " "HD21" 1 0 0 1 53.72 3149 + 3150 41 28.123000 -5.185000 10.494000 202 L A 2 "LEU " "HD22" 1 0 0 1 53.72 3150 + 3151 41 27.262000 -5.699000 9.049000 202 L A 2 "LEU " "HD23" 1 0 0 1 53.72 3151 + 3152 25 26.195000 -8.645000 13.914000 203 E A 2 "GLU " " N " 7 0 0 1 84.16 3152 + 3153 3 26.309000 -9.238000 15.244000 203 E A 2 "GLU " " CA " 6 0 0 1 89.37 3153 + 3154 2 27.449000 -10.265000 15.377000 203 E A 2 "GLU " " C " 6 0 0 1 87.22 3154 + 3155 15 28.173000 -10.218000 16.371000 203 E A 2 "GLU " " O " 8 0 0 1 98.3 3155 + 3156 3 24.960000 -9.896000 15.601000 203 E A 2 "GLU " " CB " 6 0 0 1 102.01 3156 + 3157 3 23.757000 -8.935000 15.492000 203 E A 2 "GLU " " CG " 6 0 0 1 124.05 3157 + 3158 2 22.422000 -9.573000 15.877000 203 E A 2 "GLU " " CD " 6 0 0 1 141.36 3158 + 3159 15 22.291000 -10.807000 15.726000 203 E A 2 "GLU " " OE1" 8 0 0 1 144.33 3159 + 3160 18 21.544000 -8.792000 16.301000 203 E A 2 "GLU " " OE2" 8 -1 0 1 153.81 3160 + 3161 43 25.335000 -8.855000 13.429000 203 E A 2 "GLU " " H " 1 0 0 1 84.16 3161 + 3162 41 26.499000 -8.429000 15.952000 203 E A 2 "GLU " " HA " 1 0 0 1 89.37 3162 + 3163 41 25.008000 -10.300000 16.614000 203 E A 2 "GLU " " HB3" 1 0 0 1 102.01 3163 + 3164 41 24.793000 -10.752000 14.944000 203 E A 2 "GLU " " HB2" 1 0 0 1 102.01 3164 + 3165 41 23.647000 -8.566000 14.472000 203 E A 2 "GLU " " HG3" 1 0 0 1 124.05 3165 + 3166 41 23.928000 -8.065000 16.127000 203 E A 2 "GLU " " HG2" 1 0 0 1 124.05 3166 + 3167 25 27.578000 -11.166000 14.387000 204 F A 2 "PHE " " N " 7 0 0 1 81.99 3167 + 3168 3 28.520000 -12.291000 14.401000 204 F A 2 "PHE " " CA " 6 0 0 1 73.78 3168 + 3169 2 29.742000 -12.111000 13.480000 204 F A 2 "PHE " " C " 6 0 0 1 71.95 3169 + 3170 15 30.486000 -13.074000 13.292000 204 F A 2 "PHE " " O " 8 0 0 1 80.64 3170 + 3171 3 27.757000 -13.613000 14.150000 204 F A 2 "PHE " " CB " 6 0 0 1 76.79 3171 + 3172 2 26.988000 -13.766000 12.849000 204 F A 2 "PHE " " CG " 6 0 0 1 70.28 3172 + 3173 2 27.669000 -14.026000 11.641000 204 F A 2 "PHE " " CD1" 6 0 0 1 67.09 3173 + 3174 2 25.589000 -13.581000 12.822000 204 F A 2 "PHE " " CD2" 6 0 0 1 69.31 3174 + 3175 2 26.961000 -14.152000 10.456000 204 F A 2 "PHE " " CE1" 6 0 0 1 54.61 3175 + 3176 2 24.895000 -13.733000 11.630000 204 F A 2 "PHE " " CE2" 6 0 0 1 72.74 3176 + 3177 2 25.581000 -14.019000 10.456000 204 F A 2 "PHE " " CZ " 6 0 0 1 71.54 3177 + 3178 43 26.957000 -11.122000 13.590000 204 F A 2 "PHE " " H " 1 0 0 1 81.99 3178 + 3179 41 28.948000 -12.384000 15.400000 204 F A 2 "PHE " " HA " 1 0 0 1 73.78 3179 + 3180 41 27.086000 -13.798000 14.986000 204 F A 2 "PHE " " HB3" 1 0 0 1 76.79 3180 + 3181 41 28.461000 -14.443000 14.166000 204 F A 2 "PHE " " HB2" 1 0 0 1 76.79 3181 + 3182 41 28.739000 -14.150000 11.635000 204 F A 2 "PHE " " HD1" 1 0 0 1 67.09 3182 + 3183 41 25.051000 -13.345000 13.726000 204 F A 2 "PHE " " HD2" 1 0 0 1 69.31 3183 + 3184 41 27.483000 -14.363000 9.535000 204 F A 2 "PHE " " HE1" 1 0 0 1 54.61 3184 + 3185 41 23.821000 -13.616000 11.613000 204 F A 2 "PHE " " HE2" 1 0 0 1 72.74 3185 + 3186 41 25.047000 -14.131000 9.528000 204 F A 2 "PHE " " HZ " 1 0 0 1 71.54 3186 + 3187 25 29.944000 -10.901000 12.936000 205 T A 2 "THR " " N " 7 0 0 1 67.95 3187 + 3188 3 31.034000 -10.584000 12.007000 205 T A 2 "THR " " CA " 6 0 0 1 69.59 3188 + 3189 2 32.090000 -9.644000 12.629000 205 T A 2 "THR " " C " 6 0 0 1 71.71 3189 + 3190 15 32.866000 -9.064000 11.871000 205 T A 2 "THR " " O " 8 0 0 1 65.64 3190 + 3191 3 30.480000 -9.942000 10.705000 205 T A 2 "THR " " CB " 6 0 0 1 78.4 3191 + 3192 16 29.730000 -8.776000 10.983000 205 T A 2 "THR " " OG1" 8 0 0 1 73.26 3192 + 3193 3 29.634000 -10.924000 9.878000 205 T A 2 "THR " " CG2" 6 0 0 1 70.83 3193 + 3194 43 29.301000 -10.150000 13.141000 205 T A 2 "THR " " H " 1 0 0 1 67.95 3194 + 3195 41 31.571000 -11.491000 11.722000 205 T A 2 "THR " " HA " 1 0 0 1 69.59 3195 + 3196 41 31.303000 -9.630000 10.064000 205 T A 2 "THR " " HB " 1 0 0 1 78.4 3196 + 3197 42 28.840000 -9.047000 11.226000 205 T A 2 "THR " " HG1" 1 0 0 1 73.26 3197 + 3198 41 29.117000 -10.421000 9.061000 205 T A 2 "THR " "HG21" 1 0 0 1 70.83 3198 + 3199 41 30.266000 -11.697000 9.441000 205 T A 2 "THR " "HG22" 1 0 0 1 70.83 3199 + 3200 41 28.892000 -11.445000 10.478000 205 T A 2 "THR " "HG23" 1 0 0 1 70.83 3200 + 3201 25 32.169000 -9.552000 13.974000 206 K A 2 "LYS " " N " 7 0 1 1 78.57 3201 + 3202 3 33.176000 -8.750000 14.690000 206 K A 2 "LYS " " CA " 6 0 1 1 76.3 3202 + 3203 2 34.626000 -8.988000 14.230000 206 K A 2 "LYS " " C " 6 0 1 1 75.24 3203 + 3204 15 35.329000 -8.007000 14.002000 206 K A 2 "LYS " " O " 8 0 1 1 78.29 3204 + 3205 3 33.015000 -8.871000 16.227000 206 K A 2 "LYS " " CB " 6 0 1 1 58.41 3205 + 3206 3 34.161000 -8.192000 17.010000 206 K A 2 "LYS " " CG " 6 0 1 1 82.85 3206 + 3207 3 33.971000 -8.081000 18.524000 206 K A 2 "LYS " " CD " 6 0 1 1 93.34 3207 + 3208 3 35.200000 -7.414000 19.166000 206 K A 2 "LYS " " CE " 6 0 1 1 93.43 3208 + 3209 32 35.059000 -7.299000 20.625000 206 K A 2 "LYS " " NZ " 7 1 1 1 98.05 3209 + 3210 43 31.511000 -10.060000 14.546000 206 K A 2 "LYS " " H " 1 0 1 1 78.57 3210 + 3211 41 32.962000 -7.713000 14.433000 206 K A 2 "LYS " " HA " 1 0 1 1 76.3 3211 + 3212 41 32.971000 -9.923000 16.514000 206 K A 2 "LYS " " HB3" 1 0 1 1 58.41 3212 + 3213 41 32.059000 -8.433000 16.518000 206 K A 2 "LYS " " HB2" 1 0 1 1 58.41 3213 + 3214 41 34.334000 -7.194000 16.602000 206 K A 2 "LYS " " HG3" 1 0 1 1 82.85 3214 + 3215 41 35.080000 -8.753000 16.849000 206 K A 2 "LYS " " HG2" 1 0 1 1 82.85 3215 + 3216 41 33.816000 -9.074000 18.948000 206 K A 2 "LYS " " HD3" 1 0 1 1 93.34 3216 + 3217 41 33.073000 -7.502000 18.740000 206 K A 2 "LYS " " HD2" 1 0 1 1 93.34 3217 + 3218 41 35.350000 -6.417000 18.748000 206 K A 2 "LYS " " HE3" 1 0 1 1 93.43 3218 + 3219 41 36.101000 -7.989000 18.948000 206 K A 2 "LYS " " HE2" 1 0 1 1 93.43 3219 + 3220 44 35.883000 -6.856000 21.007000 206 K A 2 "LYS " " HZ1" 1 0 1 1 98.05 3220 + 3221 44 34.246000 -6.740000 20.843000 206 K A 2 "LYS " " HZ2" 1 0 1 1 98.05 3221 + 3222 44 34.954000 -8.219000 21.027000 206 K A 2 "LYS " " HZ3" 1 0 1 1 98.05 3222 + 3223 25 35.013000 -10.263000 14.048000 207 A A 2 "ALA " " N " 7 0 1 1 76.43 3223 + 3224 3 36.328000 -10.692000 13.559000 207 A A 2 "ALA " " CA " 6 0 1 1 72.74 3224 + 3225 2 36.773000 -10.019000 12.245000 207 A A 2 "ALA " " C " 6 0 1 1 74.37 3225 + 3226 15 37.956000 -9.716000 12.092000 207 A A 2 "ALA " " O " 8 0 1 1 76.1 3226 + 3227 3 36.309000 -12.219000 13.390000 207 A A 2 "ALA " " CB " 6 0 1 1 72.77 3227 + 3228 43 34.354000 -11.003000 14.243000 207 A A 2 "ALA " " H " 1 0 1 1 76.43 3228 + 3229 41 37.059000 -10.434000 14.328000 207 A A 2 "ALA " " HA " 1 0 1 1 72.74 3229 + 3230 41 37.278000 -12.591000 13.053000 207 A A 2 "ALA " " HB1" 1 0 1 1 72.77 3230 + 3231 41 36.084000 -12.715000 14.335000 207 A A 2 "ALA " " HB2" 1 0 1 1 72.77 3231 + 3232 41 35.560000 -12.533000 12.661000 207 A A 2 "ALA " " HB3" 1 0 1 1 72.77 3232 + 3233 25 35.805000 -9.773000 11.349000 208 N A 2 "ASN " " N " 7 0 1 1 72.29 3233 + 3234 3 35.995000 -9.155000 10.037000 208 N A 2 "ASN " " CA " 6 0 1 1 68.56 3234 + 3235 2 36.150000 -7.628000 10.127000 208 N A 2 "ASN " " C " 6 0 1 1 72.51 3235 + 3236 15 36.980000 -7.073000 9.410000 208 N A 2 "ASN " " O " 8 0 1 1 75.99 3236 + 3237 3 34.825000 -9.523000 9.096000 208 N A 2 "ASN " " CB " 6 0 1 1 72.64 3237 + 3238 2 34.543000 -11.029000 9.058000 208 N A 2 "ASN " " CG " 6 0 1 1 75.24 3238 + 3239 15 33.682000 -11.521000 9.788000 208 N A 2 "ASN " " OD1" 8 0 1 1 65.52 3239 + 3240 25 35.275000 -11.759000 8.218000 208 N A 2 "ASN " " ND2" 7 0 1 1 84.36 3240 + 3241 43 34.854000 -10.031000 11.574000 208 N A 2 "ASN " " H " 1 0 1 1 72.29 3241 + 3242 41 36.919000 -9.531000 9.593000 208 N A 2 "ASN " " HA " 1 0 1 1 68.56 3242 + 3243 41 35.030000 -9.169000 8.084000 208 N A 2 "ASN " " HB3" 1 0 1 1 72.64 3243 + 3244 41 33.910000 -9.019000 9.410000 208 N A 2 "ASN " " HB2" 1 0 1 1 72.64 3244 + 3245 43 35.153000 -12.762000 8.161000 208 N A 2 "ASN " "HD22" 1 0 1 1 84.36 3245 + 3246 43 36.013000 -11.323000 7.672000 208 N A 2 "ASN " "HD21" 1 0 1 1 84.36 3246 + 3247 25 35.383000 -6.982000 11.026000 209 F A 2 "PHE " " N " 7 0 1 1 72.14 3247 + 3248 3 35.489000 -5.549000 11.324000 209 F A 2 "PHE " " CA " 6 0 1 1 81.72 3248 + 3249 2 36.775000 -5.158000 12.074000 209 F A 2 "PHE " " C " 6 0 1 1 86.66 3249 + 3250 15 37.228000 -4.027000 11.922000 209 F A 2 "PHE " " O " 8 0 1 1 88.89 3250 + 3251 3 34.239000 -5.050000 12.080000 209 F A 2 "PHE " " CB " 6 0 1 1 82.29 3251 + 3252 2 33.025000 -4.783000 11.206000 209 F A 2 "PHE " " CG " 6 0 1 1 81.2 3252 + 3253 2 32.168000 -5.838000 10.832000 209 F A 2 "PHE " " CD1" 6 0 1 1 82.83 3253 + 3254 2 32.814000 -3.506000 10.644000 209 F A 2 "PHE " " CD2" 6 0 1 1 73.92 3254 + 3255 2 31.102000 -5.605000 9.976000 209 F A 2 "PHE " " CE1" 6 0 1 1 70.98 3255 + 3256 2 31.747000 -3.291000 9.782000 209 F A 2 "PHE " " CE2" 6 0 1 1 71.06 3256 + 3257 2 30.890000 -4.334000 9.458000 209 F A 2 "PHE " " CZ " 6 0 1 1 66.87 3257 + 3258 43 34.727000 -7.508000 11.587000 209 F A 2 "PHE " " H " 1 0 1 1 72.14 3258 + 3259 41 35.527000 -5.027000 10.367000 209 F A 2 "PHE " " HA " 1 0 1 1 81.72 3259 + 3260 41 34.461000 -4.126000 12.618000 209 F A 2 "PHE " " HB3" 1 0 1 1 82.29 3260 + 3261 41 33.961000 -5.774000 12.846000 209 F A 2 "PHE " " HB2" 1 0 1 1 82.29 3261 + 3262 41 32.327000 -6.826000 11.223000 209 F A 2 "PHE " " HD1" 1 0 1 1 82.83 3262 + 3263 41 33.465000 -2.683000 10.901000 209 F A 2 "PHE " " HD2" 1 0 1 1 73.92 3263 + 3264 41 30.438000 -6.414000 9.708000 209 F A 2 "PHE " " HE1" 1 0 1 1 70.98 3264 + 3265 41 31.583000 -2.307000 9.368000 209 F A 2 "PHE " " HE2" 1 0 1 1 71.06 3265 + 3266 41 30.057000 -4.157000 8.793000 209 F A 2 "PHE " " HZ " 1 0 1 1 66.87 3266 + 3267 25 37.349000 -6.088000 12.854000 210 D A 2 "ASP " " N " 7 0 1 1 90.4 3267 + 3268 3 38.620000 -5.898000 13.561000 210 D A 2 "ASP " " CA " 6 0 1 1 90.19 3268 + 3269 2 39.837000 -5.921000 12.621000 210 D A 2 "ASP " " C " 6 0 1 1 89.23 3269 + 3270 15 40.802000 -5.201000 12.880000 210 D A 2 "ASP " " O " 8 0 1 1 94.8 3270 + 3271 3 38.820000 -6.879000 14.740000 210 D A 2 "ASP " " CB " 6 0 1 1 92.54 3271 + 3272 2 37.671000 -6.925000 15.756000 210 D A 2 "ASP " " CG " 6 0 1 1 101.44 3272 + 3273 15 37.031000 -5.872000 15.980000 210 D A 2 "ASP " " OD1" 8 0 1 1 103.44 3273 + 3274 18 37.509000 -8.002000 16.367000 210 D A 2 "ASP " " OD2" 8 -1 1 1 100.88 3274 + 3275 43 36.897000 -6.985000 12.976000 210 D A 2 "ASP " " H " 1 0 1 1 90.4 3275 + 3276 41 38.595000 -4.893000 13.978000 210 D A 2 "ASP " " HA " 1 0 1 1 90.19 3276 + 3277 41 39.738000 -6.640000 15.278000 210 D A 2 "ASP " " HB3" 1 0 1 1 92.54 3277 + 3278 41 38.938000 -7.883000 14.328000 210 D A 2 "ASP " " HB2" 1 0 1 1 92.54 3278 + 3279 25 39.758000 -6.715000 11.540000 211 K A 2 "LYS " " N " 7 0 0 1 66.79 3279 + 3280 3 40.776000 -6.791000 10.498000 211 K A 2 "LYS " " CA " 6 0 0 1 70.25 3280 + 3281 2 40.632000 -5.595000 9.548000 211 K A 2 "LYS " " C " 6 0 0 1 83 3281 + 3282 15 39.616000 -5.496000 8.858000 211 K A 2 "LYS " " O " 8 0 0 1 74.04 3282 + 3283 3 40.648000 -8.147000 9.780000 211 K A 2 "LYS " " CB " 6 0 0 1 102.02 3283 + 3284 3 41.765000 -8.422000 8.760000 211 K A 2 "LYS " " CG " 6 0 0 1 113.28 3284 + 3285 3 41.784000 -9.893000 8.326000 211 K A 2 "LYS " " CD " 6 0 0 1 119.55 3285 + 3286 3 42.941000 -10.231000 7.381000 211 K A 2 "LYS " " CE " 6 0 0 1 128.14 3286 + 3287 32 42.911000 -11.655000 7.007000 211 K A 2 "LYS " " NZ " 7 1 0 1 131.21 3287 + 3288 43 38.924000 -7.266000 11.388000 211 K A 2 "LYS " " H " 1 0 0 1 66.79 3288 + 3289 41 41.760000 -6.755000 10.971000 211 K A 2 "LYS " " HA " 1 0 0 1 70.25 3289 + 3290 41 39.673000 -8.239000 9.298000 211 K A 2 "LYS " " HB3" 1 0 0 1 102.02 3290 + 3291 41 40.678000 -8.930000 10.540000 211 K A 2 "LYS " " HB2" 1 0 0 1 102.02 3291 + 3292 41 42.731000 -8.159000 9.193000 211 K A 2 "LYS " " HG3" 1 0 0 1 113.28 3292 + 3293 41 41.630000 -7.785000 7.887000 211 K A 2 "LYS " " HG2" 1 0 0 1 113.28 3293 + 3294 41 40.836000 -10.137000 7.847000 211 K A 2 "LYS " " HD3" 1 0 0 1 119.55 3294 + 3295 41 41.845000 -10.530000 9.210000 211 K A 2 "LYS " " HD2" 1 0 0 1 119.55 3295 + 3296 41 43.898000 -10.011000 7.855000 211 K A 2 "LYS " " HE3" 1 0 0 1 128.14 3296 + 3297 41 42.881000 -9.627000 6.475000 211 K A 2 "LYS " " HE2" 1 0 0 1 128.14 3297 + 3298 44 42.036000 -11.859000 6.544000 211 K A 2 "LYS " " HZ1" 1 0 0 1 131.21 3298 + 3299 44 43.677000 -11.860000 6.382000 211 K A 2 "LYS " " HZ2" 1 0 0 1 131.21 3299 + 3300 44 42.990000 -12.226000 7.837000 211 K A 2 "LYS " " HZ3" 1 0 0 1 131.21 3300 + 3301 25 41.648000 -4.713000 9.550000 212 E A 2 "GLU " " N " 7 0 1 1 103.61 3301 + 3302 3 41.684000 -3.441000 8.817000 212 E A 2 "GLU " " CA " 6 0 1 1 110.24 3302 + 3303 2 41.397000 -3.615000 7.314000 212 E A 2 "GLU " " C " 6 0 1 1 103.4 3303 + 3304 15 40.559000 -2.884000 6.797000 212 E A 2 "GLU " " O " 8 0 1 1 106.26 3304 + 3305 3 43.029000 -2.731000 9.121000 212 E A 2 "GLU " " CB " 6 0 1 1 125.04 3305 + 3306 3 43.076000 -1.198000 8.911000 212 E A 2 "GLU " " CG " 6 0 1 1 138.28 3306 + 3307 2 42.966000 -0.715000 7.464000 212 E A 2 "GLU " " CD " 6 0 1 1 158.32 3307 + 3308 15 43.718000 -1.249000 6.619000 212 E A 2 "GLU " " OE1" 8 0 1 1 154.67 3308 + 3309 18 42.130000 0.186000 7.235000 212 E A 2 "GLU " " OE2" 8 -1 1 1 166 3309 + 3310 43 42.438000 -4.885000 10.154000 212 E A 2 "GLU " " H " 1 0 1 1 103.61 3310 + 3311 41 40.878000 -2.834000 9.227000 212 E A 2 "GLU " " HA " 1 0 1 1 110.24 3311 + 3312 41 43.827000 -3.196000 8.538000 212 E A 2 "GLU " " HB3" 1 0 1 1 125.04 3312 + 3313 41 43.298000 -2.919000 10.161000 212 E A 2 "GLU " " HB2" 1 0 1 1 125.04 3313 + 3314 41 44.021000 -0.817000 9.301000 212 E A 2 "GLU " " HG3" 1 0 1 1 138.28 3314 + 3315 41 42.295000 -0.726000 9.507000 212 E A 2 "GLU " " HG2" 1 0 1 1 138.28 3315 + 3316 25 42.020000 -4.631000 6.689000 213 S A 2 "SER " " N " 7 0 1 1 88.03 3316 + 3317 3 41.835000 -5.042000 5.293000 213 S A 2 "SER " " CA " 6 0 1 1 77.65 3317 + 3318 2 40.362000 -5.251000 4.886000 213 S A 2 "SER " " C " 6 0 1 1 74.87 3318 + 3319 15 39.902000 -4.613000 3.938000 213 S A 2 "SER " " O " 8 0 1 1 76.89 3319 + 3320 3 42.679000 -6.317000 5.051000 213 S A 2 "SER " " CB " 6 0 1 1 125.86 3320 + 3321 16 42.528000 -6.842000 3.746000 213 S A 2 "SER " " OG " 8 0 1 1 138.46 3321 + 3322 43 42.678000 -5.182000 7.219000 213 S A 2 "SER " " H " 1 0 1 1 88.03 3322 + 3323 41 42.238000 -4.243000 4.668000 213 S A 2 "SER " " HA " 1 0 1 1 77.65 3323 + 3324 41 42.408000 -7.098000 5.761000 213 S A 2 "SER " " HB3" 1 0 1 1 125.86 3324 + 3325 41 43.736000 -6.101000 5.213000 213 S A 2 "SER " " HB2" 1 0 1 1 125.86 3325 + 3326 42 41.628000 -7.161000 3.641000 213 S A 2 "SER " " HG " 1 0 1 1 138.46 3326 + 3327 25 39.666000 -6.147000 5.604000 214 E A 2 "GLU " " N " 7 0 1 1 73.9 3327 + 3328 3 38.297000 -6.563000 5.299000 214 E A 2 "GLU " " CA " 6 0 1 1 70.64 3328 + 3329 2 37.252000 -5.493000 5.627000 214 E A 2 "GLU " " C " 6 0 1 1 72.81 3329 + 3330 15 36.316000 -5.319000 4.848000 214 E A 2 "GLU " " O " 8 0 1 1 71.11 3330 + 3331 3 37.974000 -7.877000 6.030000 214 E A 2 "GLU " " CB " 6 0 1 1 86.93 3331 + 3332 3 38.874000 -9.043000 5.580000 214 E A 2 "GLU " " CG " 6 0 1 1 96.51 3332 + 3333 2 38.498000 -10.394000 6.191000 214 E A 2 "GLU " " CD " 6 0 1 1 106.38 3333 + 3334 15 37.649000 -10.421000 7.110000 214 E A 2 "GLU " " OE1" 8 0 1 1 103.27 3334 + 3335 18 39.093000 -11.389000 5.726000 214 E A 2 "GLU " " OE2" 8 -1 1 1 114.57 3335 + 3336 43 40.101000 -6.604000 6.393000 214 E A 2 "GLU " " H " 1 0 1 1 73.9 3336 + 3337 41 38.235000 -6.753000 4.226000 214 E A 2 "GLU " " HA " 1 0 1 1 70.64 3337 + 3338 41 36.927000 -8.137000 5.867000 214 E A 2 "GLU " " HB3" 1 0 1 1 86.93 3338 + 3339 41 38.089000 -7.734000 7.105000 214 E A 2 "GLU " " HB2" 1 0 1 1 86.93 3339 + 3340 41 39.914000 -8.839000 5.831000 214 E A 2 "GLU " " HG3" 1 0 1 1 96.51 3340 + 3341 41 38.827000 -9.142000 4.495000 214 E A 2 "GLU " " HG2" 1 0 1 1 96.51 3341 + 3342 25 37.448000 -4.780000 6.748000 215 R A 2 "ARG " " N " 7 0 1 1 84.01 3342 + 3343 3 36.597000 -3.682000 7.199000 215 R A 2 "ARG " " CA " 6 0 1 1 76.12 3343 + 3344 2 36.538000 -2.529000 6.182000 215 R A 2 "ARG " " C " 6 0 1 1 77.79 3344 + 3345 15 35.446000 -2.050000 5.883000 215 R A 2 "ARG " " O " 8 0 1 1 88.62 3345 + 3346 3 37.128000 -3.163000 8.541000 215 R A 2 "ARG " " CB " 6 0 1 1 77.56 3346 + 3347 3 36.145000 -2.253000 9.301000 215 R A 2 "ARG " " CG " 6 0 1 1 63.39 3347 + 3348 3 36.822000 -1.110000 10.051000 215 R A 2 "ARG " " CD " 6 0 1 1 64.98 3348 + 3349 25 37.972000 -1.567000 10.839000 215 R A 2 "ARG " " NE " 7 0 1 1 76.61 3349 + 3350 2 39.218000 -1.064000 10.807000 215 R A 2 "ARG " " CZ " 6 0 1 1 89.48 3350 + 3351 25 39.525000 0.014000 10.072000 215 R A 2 "ARG " " NH1" 7 0 1 1 97.19 3351 + 3352 31 40.176000 -1.667000 11.521000 215 R A 2 "ARG " " NH2" 7 1 1 1 85.17 3352 + 3353 43 38.241000 -4.996000 7.339000 215 R A 2 "ARG " " H " 1 0 1 1 84.01 3353 + 3354 41 35.588000 -4.075000 7.341000 215 R A 2 "ARG " " HA " 1 0 1 1 76.12 3354 + 3355 41 38.063000 -2.631000 8.354000 215 R A 2 "ARG " " HB3" 1 0 1 1 77.56 3355 + 3356 41 37.398000 -3.993000 9.193000 215 R A 2 "ARG " " HB2" 1 0 1 1 77.56 3356 + 3357 41 35.437000 -2.807000 9.910000 215 R A 2 "ARG " " HG3" 1 0 1 1 63.39 3357 + 3358 41 35.531000 -1.744000 8.559000 215 R A 2 "ARG " " HG2" 1 0 1 1 63.39 3358 + 3359 41 36.105000 -0.761000 10.792000 215 R A 2 "ARG " " HD3" 1 0 1 1 64.98 3359 + 3360 41 37.026000 -0.269000 9.400000 215 R A 2 "ARG " " HD2" 1 0 1 1 64.98 3360 + 3361 43 37.796000 -2.383000 11.418000 215 R A 2 "ARG " " HE " 1 0 1 1 76.61 3361 + 3362 43 40.472000 0.363000 10.036000 215 R A 2 "ARG " "HH12" 1 0 1 1 97.19 3362 + 3363 43 38.825000 0.446000 9.484000 215 R A 2 "ARG " "HH11" 1 0 1 1 97.19 3363 + 3364 44 41.123000 -1.315000 11.512000 215 R A 2 "ARG " "HH22" 1 0 1 1 85.17 3364 + 3365 44 39.960000 -2.488000 12.070000 215 R A 2 "ARG " "HH21" 1 0 1 1 85.17 3365 + 3366 25 37.713000 -2.146000 5.650000 216 H A 2 "HIS " " N " 7 0 1 1 73.26 3366 + 3367 3 37.889000 -1.125000 4.616000 216 H A 2 "HIS " " CA " 6 0 1 1 75.53 3367 + 3368 2 37.086000 -1.417000 3.339000 216 H A 2 "HIS " " C " 6 0 1 1 69.1 3368 + 3369 15 36.547000 -0.482000 2.750000 216 H A 2 "HIS " " O " 8 0 1 1 89.14 3369 + 3370 3 39.394000 -0.991000 4.305000 216 H A 2 "HIS " " CB " 6 0 1 1 111.17 3370 + 3371 2 39.844000 0.390000 3.923000 216 H A 2 "HIS " " CG " 6 0 1 1 128.94 3371 + 3372 25 40.136000 1.366000 4.880000 216 H A 2 "HIS " " ND1" 7 0 1 1 138.52 3372 + 3373 2 40.058000 0.914000 2.666000 216 H A 2 "HIS " " CD2" 6 0 1 1 142.41 3373 + 3374 2 40.532000 2.419000 4.179000 216 H A 2 "HIS " " CE1" 6 0 1 1 149.7 3374 + 3375 25 40.500000 2.210000 2.862000 216 H A 2 "HIS " " NE2" 7 0 1 1 154.64 3375 + 3376 43 38.562000 -2.599000 5.961000 216 H A 2 "HIS " " H " 1 0 1 1 73.26 3376 + 3377 41 37.526000 -0.190000 5.045000 216 H A 2 "HIS " " HA " 1 0 1 1 75.53 3377 + 3378 41 39.712000 -1.703000 3.542000 216 H A 2 "HIS " " HB3" 1 0 1 1 111.17 3378 + 3379 41 39.980000 -1.225000 5.187000 216 H A 2 "HIS " " HB2" 1 0 1 1 111.17 3379 + 3380 41 39.941000 0.480000 1.683000 216 H A 2 "HIS " " HD2" 1 0 1 1 142.41 3380 + 3381 41 40.840000 3.352000 4.629000 216 H A 2 "HIS " " HE1" 1 0 1 1 149.7 3381 + 3382 43 40.754000 2.874000 2.144000 216 H A 2 "HIS " " HE2" 1 0 1 1 154.64 3382 + 3383 25 36.988000 -2.707000 2.972000 217 F A 2 "PHE " " N " 7 0 1 1 67.84 3383 + 3384 3 36.202000 -3.171000 1.835000 217 F A 2 "PHE " " CA " 6 0 1 1 60.28 3384 + 3385 2 34.686000 -3.199000 2.106000 217 F A 2 "PHE " " C " 6 0 1 1 60.01 3385 + 3386 15 33.926000 -2.835000 1.210000 217 F A 2 "PHE " " O " 8 0 1 1 64.28 3386 + 3387 3 36.744000 -4.527000 1.341000 217 F A 2 "PHE " " CB " 6 0 1 1 69.62 3387 + 3388 2 36.056000 -5.059000 0.097000 217 F A 2 "PHE " " CG " 6 0 1 1 75.89 3388 + 3389 2 36.161000 -4.343000 -1.116000 217 F A 2 "PHE " " CD1" 6 0 1 1 69.2 3389 + 3390 2 35.245000 -6.212000 0.149000 217 F A 2 "PHE " " CD2" 6 0 1 1 87.88 3390 + 3391 2 35.490000 -4.788000 -2.245000 217 F A 2 "PHE " " CE1" 6 0 1 1 51.82 3391 + 3392 2 34.602000 -6.652000 -1.000000 217 F A 2 "PHE " " CE2" 6 0 1 1 73.79 3392 + 3393 2 34.720000 -5.942000 -2.188000 217 F A 2 "PHE " " CZ " 6 0 1 1 60.25 3393 + 3394 43 37.457000 -3.417000 3.518000 217 F A 2 "PHE " " H " 1 0 1 1 67.84 3394 + 3395 41 36.360000 -2.454000 1.027000 217 F A 2 "PHE " " HA " 1 0 1 1 60.28 3395 + 3396 41 36.703000 -5.273000 2.136000 217 F A 2 "PHE " " HB3" 1 0 1 1 69.62 3396 + 3397 41 37.800000 -4.411000 1.094000 217 F A 2 "PHE " " HB2" 1 0 1 1 69.62 3397 + 3398 41 36.758000 -3.444000 -1.168000 217 F A 2 "PHE " " HD1" 1 0 1 1 69.2 3398 + 3399 41 35.133000 -6.762000 1.072000 217 F A 2 "PHE " " HD2" 1 0 1 1 87.88 3399 + 3400 41 35.569000 -4.239000 -3.172000 217 F A 2 "PHE " " HE1" 1 0 1 1 51.82 3400 + 3401 41 34.011000 -7.554000 -0.975000 217 F A 2 "PHE " " HE2" 1 0 1 1 73.79 3401 + 3402 41 34.214000 -6.295000 -3.072000 217 F A 2 "PHE " " HZ " 1 0 1 1 60.25 3402 + 3403 25 34.265000 -3.591000 3.325000 218 I A 2 "ILE " " N " 7 0 1 1 74.92 3403 + 3404 3 32.854000 -3.587000 3.736000 218 I A 2 "ILE " " CA " 6 0 1 1 66.35 3404 + 3405 2 32.264000 -2.164000 3.749000 218 I A 2 "ILE " " C " 6 0 1 1 75.4 3405 + 3406 15 31.171000 -1.972000 3.219000 218 I A 2 "ILE " " O " 8 0 1 1 80.45 3406 + 3407 3 32.618000 -4.265000 5.123000 218 I A 2 "ILE " " CB " 6 0 1 1 47.42 3407 + 3408 3 32.934000 -5.777000 5.064000 218 I A 2 "ILE " " CG1" 6 0 1 1 56.48 3408 + 3409 3 31.196000 -4.066000 5.705000 218 I A 2 "ILE " " CG2" 6 0 1 1 50.04 3409 + 3410 3 33.124000 -6.429000 6.445000 218 I A 2 "ILE " " CD1" 6 0 1 1 38.87 3410 + 3411 43 34.938000 -3.889000 4.019000 218 I A 2 "ILE " " H " 1 0 1 1 74.92 3411 + 3412 41 32.302000 -4.160000 2.988000 218 I A 2 "ILE " " HA " 1 0 1 1 66.35 3412 + 3413 41 33.321000 -3.815000 5.827000 218 I A 2 "ILE " " HB " 1 0 1 1 47.42 3413 + 3414 41 33.832000 -5.959000 4.475000 218 I A 2 "ILE " "HG13" 1 0 1 1 56.48 3414 + 3415 41 32.135000 -6.292000 4.530000 218 I A 2 "ILE " "HG12" 1 0 1 1 56.48 3415 + 3416 41 31.058000 -4.637000 6.621000 218 I A 2 "ILE " "HG21" 1 0 1 1 50.04 3416 + 3417 41 30.990000 -3.026000 5.963000 218 I A 2 "ILE " "HG22" 1 0 1 1 50.04 3417 + 3418 41 30.432000 -4.396000 5.000000 218 I A 2 "ILE " "HG23" 1 0 1 1 50.04 3418 + 3419 41 33.786000 -7.294000 6.376000 218 I A 2 "ILE " "HD11" 1 0 1 1 38.87 3419 + 3420 41 33.566000 -5.739000 7.163000 218 I A 2 "ILE " "HD12" 1 0 1 1 38.87 3420 + 3421 41 32.175000 -6.775000 6.855000 218 I A 2 "ILE " "HD13" 1 0 1 1 38.87 3421 + 3422 25 33.020000 -1.196000 4.296000 219 M A 2 "MET " " N " 7 0 1 1 64.72 3422 + 3423 3 32.652000 0.220000 4.332000 219 M A 2 "MET " " CA " 6 0 1 1 63.13 3423 + 3424 2 32.534000 0.863000 2.942000 219 M A 2 "MET " " C " 6 0 1 1 66.68 3424 + 3425 15 31.639000 1.685000 2.769000 219 M A 2 "MET " " O " 8 0 1 1 56.07 3425 + 3426 3 33.621000 1.004000 5.239000 219 M A 2 "MET " " CB " 6 0 1 1 58.61 3426 + 3427 3 33.530000 0.617000 6.726000 219 M A 2 "MET " " CG " 6 0 1 1 56.53 3427 + 3428 49 31.905000 0.808000 7.512000 219 M A 2 "MET " " SD " 16 0 1 1 59.1 3428 + 3429 3 31.707000 2.605000 7.431000 219 M A 2 "MET " " CE " 6 0 1 1 71.16 3429 + 3430 43 33.914000 -1.437000 4.706000 219 M A 2 "MET " " H " 1 0 1 1 64.72 3430 + 3431 41 31.653000 0.276000 4.767000 219 M A 2 "MET " " HA " 1 0 1 1 63.13 3431 + 3432 41 33.440000 2.075000 5.144000 219 M A 2 "MET " " HB3" 1 0 1 1 58.61 3432 + 3433 41 34.646000 0.852000 4.897000 219 M A 2 "MET " " HB2" 1 0 1 1 58.61 3433 + 3434 41 34.248000 1.200000 7.298000 219 M A 2 "MET " " HG3" 1 0 1 1 56.53 3434 + 3435 41 33.818000 -0.423000 6.862000 219 M A 2 "MET " " HG2" 1 0 1 1 56.53 3435 + 3436 41 30.815000 2.905000 7.981000 219 M A 2 "MET " " HE1" 1 0 1 1 71.16 3436 + 3437 41 32.567000 3.108000 7.873000 219 M A 2 "MET " " HE2" 1 0 1 1 71.16 3437 + 3438 41 31.602000 2.933000 6.397000 219 M A 2 "MET " " HE3" 1 0 1 1 71.16 3438 + 3439 25 33.366000 0.443000 1.970000 220 Q A 2 "GLN " " N " 7 0 1 1 60.58 3439 + 3440 3 33.223000 0.826000 0.561000 220 Q A 2 "GLN " " CA " 6 0 1 1 67.1 3440 + 3441 2 31.898000 0.360000 -0.056000 220 Q A 2 "GLN " " C " 6 0 1 1 60.83 3441 + 3442 15 31.156000 1.191000 -0.574000 220 Q A 2 "GLN " " O " 8 0 1 1 60 3442 + 3443 3 34.407000 0.315000 -0.283000 220 Q A 2 "GLN " " CB " 6 0 1 1 73.59 3443 + 3444 3 35.639000 1.228000 -0.235000 220 Q A 2 "GLN " " CG " 6 0 1 1 101.5 3444 + 3445 2 36.714000 0.753000 -1.211000 220 Q A 2 "GLN " " CD " 6 0 1 1 121.83 3445 + 3446 15 37.775000 0.292000 -0.797000 220 Q A 2 "GLN " " OE1" 8 0 1 1 132.28 3446 + 3447 25 36.439000 0.857000 -2.514000 220 Q A 2 "GLN " " NE2" 7 0 1 1 133.71 3447 + 3448 43 34.082000 -0.237000 2.180000 220 Q A 2 "GLN " " H " 1 0 1 1 60.58 3448 + 3449 41 33.221000 1.917000 0.520000 220 Q A 2 "GLN " " HA " 1 0 1 1 67.1 3449 + 3450 41 34.089000 0.228000 -1.324000 220 Q A 2 "GLN " " HB3" 1 0 1 1 73.59 3450 + 3451 41 34.687000 -0.693000 0.021000 220 Q A 2 "GLN " " HB2" 1 0 1 1 73.59 3451 + 3452 41 36.049000 1.266000 0.775000 220 Q A 2 "GLN " " HG3" 1 0 1 1 101.5 3452 + 3453 41 35.363000 2.250000 -0.498000 220 Q A 2 "GLN " " HG2" 1 0 1 1 101.5 3453 + 3454 43 37.118000 0.557000 -3.198000 220 Q A 2 "GLN " "HE22" 1 0 1 1 133.71 3454 + 3455 43 35.552000 1.231000 -2.825000 220 Q A 2 "GLN " "HE21" 1 0 1 1 133.71 3455 + 3456 25 31.631000 -0.952000 0.033000 221 V A 2 "VAL " " N " 7 0 1 1 60.8 3456 + 3457 3 30.449000 -1.607000 -0.526000 221 V A 2 "VAL " " CA " 6 0 1 1 59.03 3457 + 3458 2 29.122000 -1.092000 0.080000 221 V A 2 "VAL " " C " 6 0 1 1 56.08 3458 + 3459 15 28.154000 -0.927000 -0.663000 221 V A 2 "VAL " " O " 8 0 1 1 58.7 3459 + 3460 3 30.571000 -3.153000 -0.380000 221 V A 2 "VAL " " CB " 6 0 1 1 58.65 3460 + 3461 3 29.286000 -3.937000 -0.694000 221 V A 2 "VAL " " CG1" 6 0 1 1 59.07 3461 + 3462 3 31.714000 -3.692000 -1.260000 221 V A 2 "VAL " " CG2" 6 0 1 1 62.47 3462 + 3463 43 32.297000 -1.561000 0.491000 221 V A 2 "VAL " " H " 1 0 1 1 60.8 3463 + 3464 41 30.426000 -1.367000 -1.591000 221 V A 2 "VAL " " HA " 1 0 1 1 59.03 3464 + 3465 41 30.835000 -3.376000 0.655000 221 V A 2 "VAL " " HB " 1 0 1 1 58.65 3465 + 3466 41 29.468000 -5.010000 -0.725000 221 V A 2 "VAL " "HG11" 1 0 1 1 59.07 3466 + 3467 41 28.522000 -3.771000 0.066000 221 V A 2 "VAL " "HG12" 1 0 1 1 59.07 3467 + 3468 41 28.883000 -3.646000 -1.664000 221 V A 2 "VAL " "HG13" 1 0 1 1 59.07 3468 + 3469 41 31.863000 -4.761000 -1.113000 221 V A 2 "VAL " "HG21" 1 0 1 1 62.47 3469 + 3470 41 31.502000 -3.530000 -2.316000 221 V A 2 "VAL " "HG22" 1 0 1 1 62.47 3470 + 3471 41 32.664000 -3.207000 -1.043000 221 V A 2 "VAL " "HG23" 1 0 1 1 62.47 3471 + 3472 25 29.124000 -0.786000 1.390000 222 V A 2 "VAL " " N " 7 0 1 1 50.14 3472 + 3473 3 28.009000 -0.151000 2.093000 222 V A 2 "VAL " " CA " 6 0 1 1 43.77 3473 + 3474 2 27.800000 1.318000 1.666000 222 V A 2 "VAL " " C " 6 0 1 1 52.52 3474 + 3475 15 26.661000 1.683000 1.387000 222 V A 2 "VAL " " O " 8 0 1 1 63.59 3475 + 3476 3 28.170000 -0.242000 3.640000 222 V A 2 "VAL " " CB " 6 0 1 1 45.85 3476 + 3477 3 27.205000 0.647000 4.449000 222 V A 2 "VAL " " CG1" 6 0 1 1 45.27 3477 + 3478 3 28.004000 -1.694000 4.120000 222 V A 2 "VAL " " CG2" 6 0 1 1 49.84 3478 + 3479 43 29.953000 -0.967000 1.941000 222 V A 2 "VAL " " H " 1 0 1 1 50.14 3479 + 3480 41 27.102000 -0.696000 1.822000 222 V A 2 "VAL " " HA " 1 0 1 1 43.77 3480 + 3481 41 29.186000 0.067000 3.894000 222 V A 2 "VAL " " HB " 1 0 1 1 45.85 3481 + 3482 41 27.282000 0.444000 5.517000 222 V A 2 "VAL " "HG11" 1 0 1 1 45.27 3482 + 3483 41 27.419000 1.706000 4.308000 222 V A 2 "VAL " "HG12" 1 0 1 1 45.27 3483 + 3484 41 26.169000 0.469000 4.159000 222 V A 2 "VAL " "HG13" 1 0 1 1 45.27 3484 + 3485 41 28.215000 -1.787000 5.186000 222 V A 2 "VAL " "HG21" 1 0 1 1 49.84 3485 + 3486 41 26.984000 -2.038000 3.950000 222 V A 2 "VAL " "HG22" 1 0 1 1 49.84 3486 + 3487 41 28.667000 -2.381000 3.596000 222 V A 2 "VAL " "HG23" 1 0 1 1 49.84 3487 + 3488 25 28.880000 2.121000 1.593000 223 C A 2 "CYS " " N " 7 0 1 1 57.73 3488 + 3489 3 28.833000 3.535000 1.187000 223 C A 2 "CYS " " CA " 6 0 1 1 63.67 3489 + 3490 2 28.375000 3.724000 -0.270000 223 C A 2 "CYS " " C " 6 0 1 1 62.05 3490 + 3491 15 27.603000 4.643000 -0.534000 223 C A 2 "CYS " " O " 8 0 1 1 61.03 3491 + 3492 3 30.172000 4.268000 1.403000 223 C A 2 "CYS " " CB " 6 0 1 1 65.71 3492 + 3493 49 30.444000 4.569000 3.171000 223 C A 2 "CYS " " SG " 16 0 1 1 59.02 3493 + 3494 43 29.793000 1.757000 1.833000 223 C A 2 "CYS " " H " 1 0 1 1 57.73 3494 + 3495 41 28.082000 4.024000 1.811000 223 C A 2 "CYS " " HA " 1 0 1 1 63.67 3495 + 3496 41 30.174000 5.239000 0.906000 223 C A 2 "CYS " " HB3" 1 0 1 1 65.71 3496 + 3497 41 31.006000 3.698000 0.992000 223 C A 2 "CYS " " HB2" 1 0 1 1 65.71 3497 + 3498 41 30.727000 3.298000 3.476000 223 C A 2 "CYS " " HG " 1 0 1 1 59.02 3498 + 3499 25 28.815000 2.835000 -1.175000 224 E A 2 "GLU " " N " 7 0 1 1 60.02 3499 + 3500 3 28.388000 2.778000 -2.576000 224 E A 2 "GLU " " CA " 6 0 1 1 64.63 3500 + 3501 2 26.914000 2.363000 -2.751000 224 E A 2 "GLU " " C " 6 0 1 1 72.33 3501 + 3502 15 26.295000 2.785000 -3.729000 224 E A 2 "GLU " " O " 8 0 1 1 81.13 3502 + 3503 3 29.329000 1.833000 -3.348000 224 E A 2 "GLU " " CB " 6 0 1 1 73.21 3503 + 3504 3 30.728000 2.438000 -3.590000 224 E A 2 "GLU " " CG " 6 0 1 1 80.9 3504 + 3505 2 31.744000 1.437000 -4.153000 224 E A 2 "GLU " " CD " 6 0 1 1 88.12 3505 + 3506 15 31.323000 0.507000 -4.878000 224 E A 2 "GLU " " OE1" 8 0 1 1 85.92 3506 + 3507 18 32.942000 1.618000 -3.844000 224 E A 2 "GLU " " OE2" 8 -1 1 1 97.62 3507 + 3508 43 29.472000 2.120000 -0.887000 224 E A 2 "GLU " " H " 1 0 1 1 60.02 3508 + 3509 41 28.483000 3.779000 -3.001000 224 E A 2 "GLU " " HA " 1 0 1 1 64.63 3509 + 3510 41 28.885000 1.577000 -4.309000 224 E A 2 "GLU " " HB3" 1 0 1 1 73.21 3510 + 3511 41 29.423000 0.891000 -2.805000 224 E A 2 "GLU " " HB2" 1 0 1 1 73.21 3511 + 3512 41 31.129000 2.845000 -2.661000 224 E A 2 "GLU " " HG3" 1 0 1 1 80.9 3512 + 3513 41 30.654000 3.276000 -4.283000 224 E A 2 "GLU " " HG2" 1 0 1 1 80.9 3513 + 3514 25 26.369000 1.581000 -1.800000 225 A A 2 "ALA " " N " 7 0 1 1 61.98 3514 + 3515 3 24.956000 1.198000 -1.757000 225 A A 2 "ALA " " CA " 6 0 1 1 57.72 3515 + 3516 2 24.026000 2.337000 -1.292000 225 A A 2 "ALA " " C " 6 0 1 1 66.16 3516 + 3517 15 22.852000 2.310000 -1.655000 225 A A 2 "ALA " " O " 8 0 1 1 74.17 3517 + 3518 3 24.785000 -0.065000 -0.899000 225 A A 2 "ALA " " CB " 6 0 1 1 54.97 3518 + 3519 43 26.940000 1.259000 -1.031000 225 A A 2 "ALA " " H " 1 0 1 1 61.98 3519 + 3520 41 24.651000 0.936000 -2.772000 225 A A 2 "ALA " " HA " 1 0 1 1 57.72 3520 + 3521 41 23.748000 -0.404000 -0.899000 225 A A 2 "ALA " " HB1" 1 0 1 1 54.97 3521 + 3522 41 25.390000 -0.886000 -1.286000 225 A A 2 "ALA " " HB2" 1 0 1 1 54.97 3522 + 3523 41 25.076000 0.097000 0.137000 225 A A 2 "ALA " " HB3" 1 0 1 1 54.97 3523 + 3524 25 24.551000 3.345000 -0.563000 226 T A 2 "THR " " N " 7 0 0 1 68.56 3524 + 3525 3 23.817000 4.580000 -0.235000 226 T A 2 "THR " " CA " 6 0 0 1 64.06 3525 + 3526 2 23.681000 5.552000 -1.434000 226 T A 2 "THR " " C " 6 0 0 1 65.33 3526 + 3527 15 23.020000 6.580000 -1.297000 226 T A 2 "THR " " O " 8 0 0 1 72.75 3527 + 3528 3 24.426000 5.369000 0.961000 226 T A 2 "THR " " CB " 6 0 0 1 56.91 3528 + 3529 16 25.567000 6.139000 0.632000 226 T A 2 "THR " " OG1" 8 0 0 1 56.15 3529 + 3530 3 24.721000 4.528000 2.202000 226 T A 2 "THR " " CG2" 6 0 0 1 61.55 3530 + 3531 43 25.521000 3.308000 -0.283000 226 T A 2 "THR " " H " 1 0 0 1 68.56 3531 + 3532 41 22.810000 4.286000 0.060000 226 T A 2 "THR " " HA " 1 0 0 1 64.06 3532 + 3533 41 23.677000 6.100000 1.273000 226 T A 2 "THR " " HB " 1 0 0 1 56.91 3533 + 3534 42 26.282000 5.542000 0.387000 226 T A 2 "THR " " HG1" 1 0 0 1 56.15 3534 + 3535 41 25.082000 5.163000 3.007000 226 T A 2 "THR " "HG21" 1 0 0 1 61.55 3535 + 3536 41 23.820000 4.034000 2.561000 226 T A 2 "THR " "HG22" 1 0 0 1 61.55 3536 + 3537 41 25.481000 3.775000 2.017000 226 T A 2 "THR " "HG23" 1 0 0 1 61.55 3537 + 3538 25 24.296000 5.220000 -2.580000 227 Q A 2 "GLN " " N " 7 0 0 1 64 3538 + 3539 3 24.198000 5.980000 -3.826000 227 Q A 2 "GLN " " CA " 6 0 0 1 64.8 3539 + 3540 2 23.239000 5.312000 -4.827000 227 Q A 2 "GLN " " C " 6 0 0 1 65.71 3540 + 3541 15 22.933000 5.931000 -5.845000 227 Q A 2 "GLN " " O " 8 0 0 1 73.04 3541 + 3542 3 25.610000 6.123000 -4.439000 227 Q A 2 "GLN " " CB " 6 0 0 1 64.4 3542 + 3543 3 26.674000 6.718000 -3.491000 227 Q A 2 "GLN " " CG " 6 0 0 1 66.98 3543 + 3544 2 26.276000 8.076000 -2.906000 227 Q A 2 "GLN " " CD " 6 0 0 1 68.3 3544 + 3545 15 26.025000 9.021000 -3.649000 227 Q A 2 "GLN " " OE1" 8 0 0 1 77.46 3545 + 3546 25 26.221000 8.187000 -1.577000 227 Q A 2 "GLN " " NE2" 7 0 0 1 68.65 3546 + 3547 43 24.849000 4.375000 -2.617000 227 Q A 2 "GLN " " H " 1 0 0 1 64 3547 + 3548 41 23.798000 6.978000 -3.637000 227 Q A 2 "GLN " " HA " 1 0 0 1 64.8 3548 + 3549 41 25.548000 6.751000 -5.330000 227 Q A 2 "GLN " " HB3" 1 0 0 1 64.4 3549 + 3550 41 25.964000 5.154000 -4.790000 227 Q A 2 "GLN " " HB2" 1 0 0 1 64.4 3550 + 3551 41 27.613000 6.842000 -4.031000 227 Q A 2 "GLN " " HG3" 1 0 0 1 66.98 3551 + 3552 41 26.886000 6.018000 -2.683000 227 Q A 2 "GLN " " HG2" 1 0 0 1 66.98 3552 + 3553 43 25.963000 9.069000 -1.159000 227 Q A 2 "GLN " "HE22" 1 0 0 1 68.65 3553 + 3554 43 26.397000 7.391000 -0.979000 227 Q A 2 "GLN " "HE21" 1 0 0 1 68.65 3554 + 3555 25 22.783000 4.078000 -4.532000 228 C A 2 "CYS " " N " 7 0 0 1 66.67 3555 + 3556 3 21.862000 3.285000 -5.347000 228 C A 2 "CYS " " CA " 6 0 0 1 64.12 3556 + 3557 2 20.524000 4.040000 -5.548000 228 C A 2 "CYS " " C " 6 0 0 1 68.93 3557 + 3558 15 19.897000 4.380000 -4.543000 228 C A 2 "CYS " " O " 8 0 0 1 67.35 3558 + 3559 3 21.625000 1.912000 -4.682000 228 C A 2 "CYS " " CB " 6 0 0 1 61.22 3559 + 3560 49 20.577000 0.838000 -5.705000 228 C A 2 "CYS " " SG " 16 0 0 1 77.56 3560 + 3561 43 23.059000 3.658000 -3.655000 228 C A 2 "CYS " " H " 1 0 0 1 66.67 3561 + 3562 41 22.383000 3.111000 -6.286000 228 C A 2 "CYS " " HA " 1 0 0 1 64.12 3562 + 3563 41 21.149000 2.033000 -3.708000 228 C A 2 "CYS " " HB3" 1 0 0 1 61.22 3563 + 3564 41 22.574000 1.402000 -4.510000 228 C A 2 "CYS " " HB2" 1 0 0 1 61.22 3564 + 3565 41 21.475000 0.626000 -6.670000 228 C A 2 "CYS " " HG " 1 0 0 1 77.56 3565 + 3566 25 20.125000 4.320000 -6.814000 229 P A 2 "PRO " " N " 7 0 0 1 66.56 3566 + 3567 3 18.927000 5.131000 -7.110000 229 P A 2 "PRO " " CA " 6 0 0 1 60.14 3567 + 3568 2 17.582000 4.496000 -6.705000 229 P A 2 "PRO " " C " 6 0 0 1 61.38 3568 + 3569 15 16.596000 5.225000 -6.602000 229 P A 2 "PRO " " O " 8 0 0 1 57.66 3569 + 3570 3 19.017000 5.384000 -8.622000 229 P A 2 "PRO " " CB " 6 0 0 1 66.18 3570 + 3571 3 19.778000 4.185000 -9.159000 229 P A 2 "PRO " " CG " 6 0 0 1 67.22 3571 + 3572 3 20.783000 3.893000 -8.052000 229 P A 2 "PRO " " CD " 6 0 0 1 71.66 3572 + 3573 41 19.000000 6.085000 -6.585000 229 P A 2 "PRO " " HA " 1 0 0 1 60.14 3573 + 3574 41 19.592000 6.293000 -8.801000 229 P A 2 "PRO " " HB3" 1 0 0 1 66.18 3574 + 3575 41 18.049000 5.512000 -9.109000 229 P A 2 "PRO " " HB2" 1 0 0 1 66.18 3575 + 3576 41 20.243000 4.363000 -10.129000 229 P A 2 "PRO " " HG3" 1 0 0 1 67.22 3576 + 3577 41 19.096000 3.340000 -9.263000 229 P A 2 "PRO " " HG2" 1 0 0 1 67.22 3577 + 3578 41 21.053000 2.837000 -8.053000 229 P A 2 "PRO " " HD2" 1 0 0 1 71.66 3578 + 3579 41 21.689000 4.485000 -8.190000 229 P A 2 "PRO " " HD3" 1 0 0 1 71.66 3579 + 3580 25 17.571000 3.177000 -6.434000 230 D A 2 "ASP " " N " 7 0 0 1 58.64 3580 + 3581 3 16.481000 2.484000 -5.754000 230 D A 2 "ASP " " CA " 6 0 0 1 59.51 3581 + 3582 2 16.541000 2.883000 -4.268000 230 D A 2 "ASP " " C " 6 0 0 1 60.18 3582 + 3583 15 17.459000 2.462000 -3.563000 230 D A 2 "ASP " " O " 8 0 0 1 57.62 3583 + 3584 3 16.580000 0.954000 -5.976000 230 D A 2 "ASP " " CB " 6 0 0 1 68.23 3584 + 3585 2 15.347000 0.142000 -5.550000 230 D A 2 "ASP " " CG " 6 0 0 1 72.71 3585 + 3586 15 14.662000 0.533000 -4.579000 230 D A 2 "ASP " " OD1" 8 0 0 1 59.49 3586 + 3587 18 15.143000 -0.923000 -6.172000 230 D A 2 "ASP " " OD2" 8 -1 0 1 74.41 3587 + 3588 43 18.421000 2.645000 -6.549000 230 D A 2 "ASP " " H " 1 0 0 1 58.64 3588 + 3589 41 15.534000 2.825000 -6.179000 230 D A 2 "ASP " " HA " 1 0 0 1 59.51 3589 + 3590 41 17.455000 0.545000 -5.470000 230 D A 2 "ASP " " HB3" 1 0 0 1 68.23 3590 + 3591 41 16.728000 0.785000 -7.044000 230 D A 2 "ASP " " HB2" 1 0 0 1 68.23 3591 + 3592 25 15.568000 3.709000 -3.843000 231 T A 2 "THR " " N " 7 0 1 1 55.8 3592 + 3593 3 15.437000 4.265000 -2.491000 231 T A 2 "THR " " CA " 6 0 1 1 51.67 3593 + 3594 2 15.402000 3.198000 -1.382000 231 T A 2 "THR " " C " 6 0 1 1 57.82 3594 + 3595 15 15.943000 3.455000 -0.310000 231 T A 2 "THR " " O " 8 0 1 1 74.07 3595 + 3596 3 14.147000 5.124000 -2.372000 231 T A 2 "THR " " CB " 6 0 1 1 55.5 3596 + 3597 16 14.291000 6.264000 -3.196000 231 T A 2 "THR " " OG1" 8 0 1 1 51.08 3597 + 3598 3 13.745000 5.613000 -0.964000 231 T A 2 "THR " " CG2" 6 0 1 1 41.33 3598 + 3599 43 14.872000 4.023000 -4.505000 231 T A 2 "THR " " H " 1 0 1 1 55.8 3599 + 3600 41 16.306000 4.903000 -2.319000 231 T A 2 "THR " " HA " 1 0 1 1 51.67 3600 + 3601 41 13.308000 4.552000 -2.773000 231 T A 2 "THR " " HB " 1 0 1 1 55.5 3601 + 3602 42 13.531000 6.836000 -3.063000 231 T A 2 "THR " " HG1" 1 0 1 1 51.08 3602 + 3603 41 12.882000 6.276000 -1.019000 231 T A 2 "THR " "HG21" 1 0 1 1 41.33 3603 + 3604 41 13.460000 4.794000 -0.303000 231 T A 2 "THR " "HG22" 1 0 1 1 41.33 3604 + 3605 41 14.558000 6.163000 -0.487000 231 T A 2 "THR " "HG23" 1 0 1 1 41.33 3605 + 3606 25 14.820000 2.019000 -1.668000 232 R A 2 "ARG " " N " 7 0 1 1 55.64 3606 + 3607 3 14.759000 0.881000 -0.748000 232 R A 2 "ARG " " CA " 6 0 1 1 54.45 3607 + 3608 2 16.153000 0.361000 -0.354000 232 R A 2 "ARG " " C " 6 0 1 1 56.34 3608 + 3609 15 16.362000 0.040000 0.815000 232 R A 2 "ARG " " O " 8 0 1 1 58.11 3609 + 3610 3 13.933000 -0.271000 -1.353000 232 R A 2 "ARG " " CB " 6 0 1 1 69.3 3610 + 3611 3 12.557000 0.120000 -1.927000 232 R A 2 "ARG " " CG " 6 0 1 1 70.95 3611 + 3612 3 11.861000 -1.064000 -2.615000 232 R A 2 "ARG " " CD " 6 0 1 1 57.4 3612 + 3613 25 12.591000 -1.475000 -3.824000 232 R A 2 "ARG " " NE " 7 0 1 1 60.66 3613 + 3614 2 12.460000 -2.640000 -4.477000 232 R A 2 "ARG " " CZ " 6 0 1 1 71.85 3614 + 3615 25 11.571000 -3.566000 -4.087000 232 R A 2 "ARG " " NH1" 7 0 1 1 81.11 3615 + 3616 31 13.245000 -2.877000 -5.534000 232 R A 2 "ARG " " NH2" 7 1 1 1 81.16 3616 + 3617 43 14.446000 1.863000 -2.595000 232 R A 2 "ARG " " H " 1 0 1 1 55.64 3617 + 3618 41 14.260000 1.219000 0.162000 232 R A 2 "ARG " " HA " 1 0 1 1 54.45 3618 + 3619 41 13.785000 -1.031000 -0.585000 232 R A 2 "ARG " " HB3" 1 0 1 1 69.3 3619 + 3620 41 14.521000 -0.748000 -2.138000 232 R A 2 "ARG " " HB2" 1 0 1 1 69.3 3620 + 3621 41 12.717000 0.881000 -2.690000 232 R A 2 "ARG " " HG3" 1 0 1 1 70.95 3621 + 3622 41 11.906000 0.578000 -1.182000 232 R A 2 "ARG " " HG2" 1 0 1 1 70.95 3622 + 3623 41 10.799000 -0.890000 -2.787000 232 R A 2 "ARG " " HD3" 1 0 1 1 57.4 3623 + 3624 41 11.929000 -1.917000 -1.939000 232 R A 2 "ARG " " HD2" 1 0 1 1 57.4 3624 + 3625 43 13.265000 -0.801000 -4.179000 232 R A 2 "ARG " " HE " 1 0 1 1 60.66 3625 + 3626 43 11.482000 -4.440000 -4.583000 232 R A 2 "ARG " "HH12" 1 0 1 1 81.11 3626 + 3627 43 10.981000 -3.386000 -3.288000 232 R A 2 "ARG " "HH11" 1 0 1 1 81.11 3627 + 3628 44 13.197000 -3.747000 -6.042000 232 R A 2 "ARG " "HH22" 1 0 1 1 81.16 3628 + 3629 44 13.932000 -2.177000 -5.816000 232 R A 2 "ARG " "HH21" 1 0 1 1 81.16 3629 + 3630 25 17.081000 0.328000 -1.330000 233 V A 2 "VAL " " N " 7 0 1 1 55.19 3630 + 3631 3 18.490000 -0.002000 -1.116000 233 V A 2 "VAL " " CA " 6 0 1 1 53.25 3631 + 3632 2 19.213000 1.129000 -0.366000 233 V A 2 "VAL " " C " 6 0 1 1 57.43 3632 + 3633 15 19.999000 0.820000 0.525000 233 V A 2 "VAL " " O " 8 0 1 1 45.66 3633 + 3634 3 19.262000 -0.264000 -2.443000 233 V A 2 "VAL " " CB " 6 0 1 1 45.32 3634 + 3635 3 20.753000 -0.619000 -2.236000 233 V A 2 "VAL " " CG1" 6 0 1 1 41.72 3635 + 3636 3 18.607000 -1.370000 -3.282000 233 V A 2 "VAL " " CG2" 6 0 1 1 47.5 3636 + 3637 43 16.831000 0.624000 -2.264000 233 V A 2 "VAL " " H " 1 0 1 1 55.19 3637 + 3638 41 18.547000 -0.902000 -0.502000 233 V A 2 "VAL " " HA " 1 0 1 1 53.25 3638 + 3639 41 19.229000 0.644000 -3.043000 233 V A 2 "VAL " " HB " 1 0 1 1 45.32 3639 + 3640 41 21.231000 -0.888000 -3.178000 233 V A 2 "VAL " "HG11" 1 0 1 1 41.72 3640 + 3641 41 21.325000 0.208000 -1.822000 233 V A 2 "VAL " "HG12" 1 0 1 1 41.72 3641 + 3642 41 20.864000 -1.470000 -1.562000 233 V A 2 "VAL " "HG13" 1 0 1 1 41.72 3642 + 3643 41 19.122000 -1.507000 -4.234000 233 V A 2 "VAL " "HG21" 1 0 1 1 47.5 3643 + 3644 41 18.648000 -2.318000 -2.754000 233 V A 2 "VAL " "HG22" 1 0 1 1 47.5 3644 + 3645 41 17.563000 -1.153000 -3.510000 233 V A 2 "VAL " "HG23" 1 0 1 1 47.5 3645 + 3646 25 18.925000 2.400000 -0.712000 234 R A 2 "ARG " " N " 7 0 1 1 60.51 3646 + 3647 3 19.540000 3.570000 -0.081000 234 R A 2 "ARG " " CA " 6 0 1 1 61.89 3647 + 3648 2 19.216000 3.695000 1.418000 234 R A 2 "ARG " " C " 6 0 1 1 62.04 3648 + 3649 15 20.118000 4.009000 2.193000 234 R A 2 "ARG " " O " 8 0 1 1 68.43 3649 + 3650 3 19.223000 4.861000 -0.871000 234 R A 2 "ARG " " CB " 6 0 1 1 60.76 3650 + 3651 3 20.116000 6.040000 -0.433000 234 R A 2 "ARG " " CG " 6 0 1 1 65.07 3651 + 3652 3 19.533000 7.039000 0.573000 234 R A 2 "ARG " " CD " 6 0 1 1 63.25 3652 + 3653 25 18.775000 8.122000 -0.066000 234 R A 2 "ARG " " NE " 7 0 1 1 65.76 3653 + 3654 2 19.296000 9.307000 -0.439000 234 R A 2 "ARG " " CZ " 6 0 1 1 57.59 3654 + 3655 25 20.605000 9.574000 -0.310000 234 R A 2 "ARG " " NH1" 7 0 1 1 59.87 3655 + 3656 31 18.494000 10.251000 -0.946000 234 R A 2 "ARG " " NH2" 7 1 1 1 62.7 3656 + 3657 43 18.266000 2.580000 -1.457000 234 R A 2 "ARG " " H " 1 0 1 1 60.51 3657 + 3658 41 20.617000 3.405000 -0.154000 234 R A 2 "ARG " " HA " 1 0 1 1 61.89 3658 + 3659 41 18.167000 5.126000 -0.829000 234 R A 2 "ARG " " HB3" 1 0 1 1 60.76 3659 + 3660 41 19.439000 4.655000 -1.920000 234 R A 2 "ARG " " HB2" 1 0 1 1 60.76 3660 + 3661 41 20.319000 6.609000 -1.342000 234 R A 2 "ARG " " HG3" 1 0 1 1 65.07 3661 + 3662 41 21.079000 5.686000 -0.082000 234 R A 2 "ARG " " HG2" 1 0 1 1 65.07 3662 + 3663 41 20.272000 7.397000 1.288000 234 R A 2 "ARG " " HD3" 1 0 1 1 63.25 3663 + 3664 41 18.778000 6.514000 1.157000 234 R A 2 "ARG " " HD2" 1 0 1 1 63.25 3664 + 3665 43 17.798000 7.941000 -0.243000 234 R A 2 "ARG " " HE " 1 0 1 1 65.76 3665 + 3666 43 20.975000 10.477000 -0.580000 234 R A 2 "ARG " "HH12" 1 0 1 1 59.87 3666 + 3667 43 21.235000 8.871000 0.048000 234 R A 2 "ARG " "HH11" 1 0 1 1 59.87 3667 + 3668 44 18.877000 11.146000 -1.218000 234 R A 2 "ARG " "HH22" 1 0 1 1 62.7 3668 + 3669 44 17.501000 10.092000 -1.036000 234 R A 2 "ARG " "HH21" 1 0 1 1 62.7 3669 + 3670 25 17.963000 3.394000 1.799000 235 V A 2 "VAL " " N " 7 0 1 1 56.85 3670 + 3671 3 17.514000 3.312000 3.189000 235 V A 2 "VAL " " CA " 6 0 1 1 62.24 3671 + 3672 2 18.200000 2.157000 3.942000 235 V A 2 "VAL " " C " 6 0 1 1 64.41 3672 + 3673 15 18.738000 2.401000 5.019000 235 V A 2 "VAL " " O " 8 0 1 1 72.43 3673 + 3674 3 15.966000 3.166000 3.289000 235 V A 2 "VAL " " CB " 6 0 1 1 65.63 3674 + 3675 3 15.432000 2.782000 4.689000 235 V A 2 "VAL " " CG1" 6 0 1 1 61.77 3675 + 3676 3 15.270000 4.459000 2.828000 235 V A 2 "VAL " " CG2" 6 0 1 1 69.85 3676 + 3677 43 17.274000 3.162000 1.095000 235 V A 2 "VAL " " H " 1 0 1 1 56.85 3677 + 3678 41 17.800000 4.243000 3.682000 235 V A 2 "VAL " " HA " 1 0 1 1 62.24 3678 + 3679 41 15.657000 2.378000 2.600000 235 V A 2 "VAL " " HB " 1 0 1 1 65.63 3679 + 3680 41 14.342000 2.817000 4.714000 235 V A 2 "VAL " "HG11" 1 0 1 1 61.77 3680 + 3681 41 15.716000 1.771000 4.980000 235 V A 2 "VAL " "HG12" 1 0 1 1 61.77 3681 + 3682 41 15.798000 3.469000 5.453000 235 V A 2 "VAL " "HG13" 1 0 1 1 61.77 3682 + 3683 41 14.189000 4.329000 2.777000 235 V A 2 "VAL " "HG21" 1 0 1 1 69.85 3683 + 3684 41 15.476000 5.280000 3.516000 235 V A 2 "VAL " "HG22" 1 0 1 1 69.85 3684 + 3685 41 15.602000 4.778000 1.842000 235 V A 2 "VAL " "HG23" 1 0 1 1 69.85 3685 + 3686 25 18.212000 0.948000 3.350000 236 A A 2 "ALA " " N " 7 0 1 1 63.03 3686 + 3687 3 18.857000 -0.242000 3.913000 236 A A 2 "ALA " " CA " 6 0 1 1 59.82 3687 + 3688 2 20.381000 -0.105000 4.084000 236 A A 2 "ALA " " C " 6 0 1 1 60.14 3688 + 3689 15 20.933000 -0.644000 5.041000 236 A A 2 "ALA " " O " 8 0 1 1 56.68 3689 + 3690 3 18.490000 -1.470000 3.067000 236 A A 2 "ALA " " CB " 6 0 1 1 53.43 3690 + 3691 43 17.752000 0.824000 2.458000 236 A A 2 "ALA " " H " 1 0 1 1 63.03 3691 + 3692 41 18.444000 -0.394000 4.906000 236 A A 2 "ALA " " HA " 1 0 1 1 59.82 3692 + 3693 41 18.863000 -2.390000 3.518000 236 A A 2 "ALA " " HB1" 1 0 1 1 53.43 3693 + 3694 41 17.409000 -1.576000 2.977000 236 A A 2 "ALA " " HB2" 1 0 1 1 53.43 3694 + 3695 41 18.900000 -1.401000 2.058000 236 A A 2 "ALA " " HB3" 1 0 1 1 53.43 3695 + 3696 25 21.034000 0.628000 3.171000 237 A A 2 "ALA " " N " 7 0 1 1 62.8 3696 + 3697 3 22.463000 0.926000 3.214000 237 A A 2 "ALA " " CA " 6 0 1 1 59.48 3697 + 3698 2 22.820000 1.917000 4.333000 237 A A 2 "ALA " " C " 6 0 1 1 58.04 3698 + 3699 15 23.856000 1.742000 4.973000 237 A A 2 "ALA " " O " 8 0 1 1 59.08 3699 + 3700 3 22.899000 1.447000 1.843000 237 A A 2 "ALA " " CB " 6 0 1 1 58.72 3700 + 3701 43 20.523000 1.008000 2.384000 237 A A 2 "ALA " " H " 1 0 1 1 62.8 3701 + 3702 41 23.003000 -0.003000 3.407000 237 A A 2 "ALA " " HA " 1 0 1 1 59.48 3702 + 3703 41 23.967000 1.660000 1.825000 237 A A 2 "ALA " " HB1" 1 0 1 1 58.72 3703 + 3704 41 22.703000 0.706000 1.068000 237 A A 2 "ALA " " HB2" 1 0 1 1 58.72 3704 + 3705 41 22.366000 2.358000 1.568000 237 A A 2 "ALA " " HB3" 1 0 1 1 58.72 3705 + 3706 25 21.933000 2.897000 4.586000 238 L A 2 "LEU " " N " 7 0 1 1 53.62 3706 + 3707 3 22.022000 3.812000 5.724000 238 L A 2 "LEU " " CA " 6 0 1 1 52.84 3707 + 3708 2 21.721000 3.115000 7.064000 238 L A 2 "LEU " " C " 6 0 1 1 57.19 3708 + 3709 15 22.356000 3.476000 8.052000 238 L A 2 "LEU " " O " 8 0 1 1 58.4 3709 + 3710 3 21.082000 5.020000 5.521000 238 L A 2 "LEU " " CB " 6 0 1 1 47.25 3710 + 3711 3 21.515000 6.016000 4.427000 238 L A 2 "LEU " " CG " 6 0 1 1 44.72 3711 + 3712 3 20.361000 6.980000 4.108000 238 L A 2 "LEU " " CD1" 6 0 1 1 42.18 3712 + 3713 3 22.796000 6.786000 4.802000 238 L A 2 "LEU " " CD2" 6 0 1 1 47.96 3713 + 3714 43 21.107000 2.983000 4.009000 238 L A 2 "LEU " " H " 1 0 1 1 53.62 3714 + 3715 41 23.049000 4.176000 5.779000 238 L A 2 "LEU " " HA " 1 0 1 1 52.84 3715 + 3716 41 20.981000 5.572000 6.457000 238 L A 2 "LEU " " HB3" 1 0 1 1 47.25 3716 + 3717 41 20.084000 4.651000 5.285000 238 L A 2 "LEU " " HB2" 1 0 1 1 47.25 3717 + 3718 41 21.733000 5.462000 3.516000 238 L A 2 "LEU " " HG " 1 0 1 1 44.72 3718 + 3719 41 20.706000 7.845000 3.542000 238 L A 2 "LEU " "HD11" 1 0 1 1 42.18 3719 + 3720 41 19.592000 6.482000 3.518000 238 L A 2 "LEU " "HD12" 1 0 1 1 42.18 3720 + 3721 41 19.886000 7.355000 5.014000 238 L A 2 "LEU " "HD13" 1 0 1 1 42.18 3721 + 3722 41 22.646000 7.866000 4.806000 238 L A 2 "LEU " "HD21" 1 0 1 1 47.96 3722 + 3723 41 23.166000 6.518000 5.792000 238 L A 2 "LEU " "HD22" 1 0 1 1 47.96 3723 + 3724 41 23.591000 6.575000 4.089000 238 L A 2 "LEU " "HD23" 1 0 1 1 47.96 3724 + 3725 25 20.815000 2.114000 7.082000 239 Q A 2 "GLN " " N " 7 0 1 1 53.16 3725 + 3726 3 20.540000 1.262000 8.249000 239 Q A 2 "GLN " " CA " 6 0 1 1 57.94 3726 + 3727 2 21.781000 0.500000 8.745000 239 Q A 2 "GLN " " C " 6 0 1 1 54.18 3727 + 3728 15 21.962000 0.376000 9.956000 239 Q A 2 "GLN " " O " 8 0 1 1 45.71 3728 + 3729 3 19.383000 0.271000 7.972000 239 Q A 2 "GLN " " CB " 6 0 1 1 61.38 3729 + 3730 3 17.979000 0.891000 8.028000 239 Q A 2 "GLN " " CG " 6 0 1 1 70.29 3730 + 3731 2 16.874000 -0.131000 7.754000 239 Q A 2 "GLN " " CD " 6 0 1 1 67.25 3731 + 3732 15 16.730000 -0.625000 6.639000 239 Q A 2 "GLN " " OE1" 8 0 1 1 52.66 3732 + 3733 25 16.071000 -0.444000 8.771000 239 Q A 2 "GLN " " NE2" 7 0 1 1 78.95 3733 + 3734 43 20.303000 1.894000 6.238000 239 Q A 2 "GLN " " H " 1 0 1 1 53.16 3734 + 3735 41 20.230000 1.923000 9.060000 239 Q A 2 "GLN " " HA " 1 0 1 1 57.94 3735 + 3736 41 19.411000 -0.526000 8.716000 239 Q A 2 "GLN " " HB3" 1 0 1 1 61.38 3736 + 3737 41 19.530000 -0.224000 7.016000 239 Q A 2 "GLN " " HB2" 1 0 1 1 61.38 3737 + 3738 41 17.885000 1.706000 7.314000 239 Q A 2 "GLN " " HG3" 1 0 1 1 70.29 3738 + 3739 41 17.822000 1.316000 9.018000 239 Q A 2 "GLN " " HG2" 1 0 1 1 70.29 3739 + 3740 43 15.324000 -1.109000 8.635000 239 Q A 2 "GLN " "HE22" 1 0 1 1 78.95 3740 + 3741 43 16.203000 -0.024000 9.680000 239 Q A 2 "GLN " "HE21" 1 0 1 1 78.95 3741 + 3742 25 22.624000 0.034000 7.806000 240 N A 2 "ASN " " N " 7 0 1 1 48.15 3742 + 3743 3 23.914000 -0.593000 8.097000 240 N A 2 "ASN " " CA " 6 0 1 1 54.87 3743 + 3744 2 24.927000 0.408000 8.661000 240 N A 2 "ASN " " C " 6 0 1 1 59.44 3744 + 3745 15 25.584000 0.053000 9.633000 240 N A 2 "ASN " " O " 8 0 1 1 56.41 3745 + 3746 3 24.450000 -1.308000 6.839000 240 N A 2 "ASN " " CB " 6 0 1 1 53.2 3746 + 3747 2 23.811000 -2.682000 6.654000 240 N A 2 "ASN " " CG " 6 0 1 1 54.32 3747 + 3748 15 24.242000 -3.643000 7.282000 240 N A 2 "ASN " " OD1" 8 0 1 1 58.95 3748 + 3749 25 22.788000 -2.787000 5.808000 240 N A 2 "ASN " " ND2" 7 0 1 1 54.21 3749 + 3750 43 22.399000 0.168000 6.830000 240 N A 2 "ASN " " H " 1 0 1 1 48.15 3750 + 3751 41 23.697000 -1.344000 8.861000 240 N A 2 "ASN " " HA " 1 0 1 1 54.87 3751 + 3752 41 25.521000 -1.490000 6.946000 240 N A 2 "ASN " " HB3" 1 0 1 1 53.2 3752 + 3753 41 24.340000 -0.695000 5.944000 240 N A 2 "ASN " " HB2" 1 0 1 1 53.2 3753 + 3754 43 22.354000 -3.687000 5.644000 240 N A 2 "ASN " "HD22" 1 0 1 1 54.21 3754 + 3755 43 22.416000 -1.972000 5.339000 240 N A 2 "ASN " "HD21" 1 0 1 1 54.21 3755 + 3756 25 25.009000 1.633000 8.106000 241 L A 2 "LEU " " N " 7 0 1 1 60.5 3756 + 3757 3 25.874000 2.702000 8.627000 241 L A 2 "LEU " " CA " 6 0 1 1 59.54 3757 + 3758 2 25.515000 3.133000 10.058000 241 L A 2 "LEU " " C " 6 0 1 1 60.09 3758 + 3759 15 26.427000 3.374000 10.845000 241 L A 2 "LEU " " O " 8 0 1 1 63.12 3759 + 3760 3 25.870000 3.924000 7.683000 241 L A 2 "LEU " " CB " 6 0 1 1 58.95 3760 + 3761 3 26.616000 3.689000 6.357000 241 L A 2 "LEU " " CG " 6 0 1 1 62.22 3761 + 3762 3 26.454000 4.892000 5.419000 241 L A 2 "LEU " " CD1" 6 0 1 1 67.8 3762 + 3763 3 28.105000 3.359000 6.571000 241 L A 2 "LEU " " CD2" 6 0 1 1 65.68 3763 + 3764 43 24.433000 1.864000 7.308000 241 L A 2 "LEU " " H " 1 0 1 1 60.5 3764 + 3765 41 26.886000 2.297000 8.680000 241 L A 2 "LEU " " HA " 1 0 1 1 59.54 3765 + 3766 41 26.334000 4.777000 8.183000 241 L A 2 "LEU " " HB3" 1 0 1 1 58.95 3766 + 3767 41 24.842000 4.227000 7.483000 241 L A 2 "LEU " " HB2" 1 0 1 1 58.95 3767 + 3768 41 26.145000 2.843000 5.861000 241 L A 2 "LEU " " HG " 1 0 1 1 62.22 3768 + 3769 41 26.826000 4.658000 4.421000 241 L A 2 "LEU " "HD11" 1 0 1 1 67.8 3769 + 3770 41 25.408000 5.184000 5.330000 241 L A 2 "LEU " "HD12" 1 0 1 1 67.8 3770 + 3771 41 27.006000 5.760000 5.781000 241 L A 2 "LEU " "HD13" 1 0 1 1 67.8 3771 + 3772 41 28.720000 3.742000 5.757000 241 L A 2 "LEU " "HD21" 1 0 1 1 65.68 3772 + 3773 41 28.482000 3.783000 7.502000 241 L A 2 "LEU " "HD22" 1 0 1 1 65.68 3773 + 3774 41 28.270000 2.284000 6.616000 241 L A 2 "LEU " "HD23" 1 0 1 1 65.68 3774 + 3775 25 24.210000 3.169000 10.374000 242 V A 2 "VAL " " N " 7 0 1 1 50.93 3775 + 3776 3 23.654000 3.402000 11.708000 242 V A 2 "VAL " " CA " 6 0 1 1 43.62 3776 + 3777 2 24.080000 2.320000 12.722000 242 V A 2 "VAL " " C " 6 0 1 1 46.27 3777 + 3778 15 24.585000 2.663000 13.792000 242 V A 2 "VAL " " O " 8 0 1 1 57.33 3778 + 3779 3 22.096000 3.465000 11.630000 242 V A 2 "VAL " " CB " 6 0 1 1 37 3779 + 3780 3 21.327000 3.203000 12.942000 242 V A 2 "VAL " " CG1" 6 0 1 1 38.42 3780 + 3781 3 21.623000 4.792000 11.016000 242 V A 2 "VAL " " CG2" 6 0 1 1 32.86 3781 + 3782 43 23.531000 2.981000 9.648000 242 V A 2 "VAL " " H " 1 0 1 1 50.93 3782 + 3783 41 24.030000 4.362000 12.067000 242 V A 2 "VAL " " HA " 1 0 1 1 43.62 3783 + 3784 41 21.776000 2.691000 10.937000 242 V A 2 "VAL " " HB " 1 0 1 1 37 3784 + 3785 41 20.254000 3.231000 12.761000 242 V A 2 "VAL " "HG11" 1 0 1 1 38.42 3785 + 3786 41 21.514000 2.217000 13.366000 242 V A 2 "VAL " "HG12" 1 0 1 1 38.42 3786 + 3787 41 21.568000 3.952000 13.695000 242 V A 2 "VAL " "HG13" 1 0 1 1 38.42 3787 + 3788 41 20.558000 4.764000 10.784000 242 V A 2 "VAL " "HG21" 1 0 1 1 32.86 3788 + 3789 41 21.778000 5.613000 11.708000 242 V A 2 "VAL " "HG22" 1 0 1 1 32.86 3789 + 3790 41 22.153000 5.037000 10.096000 242 V A 2 "VAL " "HG23" 1 0 1 1 32.86 3790 + 3791 25 23.852000 1.042000 12.372000 243 K A 2 "LYS " " N " 7 0 1 1 50.24 3791 + 3792 3 24.101000 -0.102000 13.251000 243 K A 2 "LYS " " CA " 6 0 1 1 53.05 3792 + 3793 2 25.605000 -0.401000 13.424000 243 K A 2 "LYS " " C " 6 0 1 1 57.86 3793 + 3794 15 26.001000 -0.835000 14.504000 243 K A 2 "LYS " " O " 8 0 1 1 56.65 3794 + 3795 3 23.267000 -1.303000 12.752000 243 K A 2 "LYS " " CB " 6 0 1 1 49.01 3795 + 3796 3 23.176000 -2.494000 13.731000 243 K A 2 "LYS " " CG " 6 0 1 1 54.93 3796 + 3797 3 21.994000 -3.427000 13.401000 243 K A 2 "LYS " " CD " 6 0 1 1 64.14 3797 + 3798 3 21.751000 -4.554000 14.420000 243 K A 2 "LYS " " CE " 6 0 1 1 69.84 3798 + 3799 32 22.727000 -5.648000 14.287000 243 K A 2 "LYS " " NZ " 7 1 1 1 64.91 3799 + 3800 43 23.426000 0.836000 11.478000 243 K A 2 "LYS " " H " 1 0 1 1 50.24 3800 + 3801 41 23.720000 0.164000 14.240000 243 K A 2 "LYS " " HA " 1 0 1 1 53.05 3801 + 3802 41 23.614000 -1.631000 11.772000 243 K A 2 "LYS " " HB3" 1 0 1 1 49.01 3802 + 3803 41 22.251000 -0.938000 12.592000 243 K A 2 "LYS " " HB2" 1 0 1 1 49.01 3803 + 3804 41 23.061000 -2.118000 14.749000 243 K A 2 "LYS " " HG3" 1 0 1 1 54.93 3804 + 3805 41 24.109000 -3.057000 13.718000 243 K A 2 "LYS " " HG2" 1 0 1 1 54.93 3805 + 3806 41 22.144000 -3.866000 12.417000 243 K A 2 "LYS " " HD3" 1 0 1 1 64.14 3806 + 3807 41 21.082000 -2.835000 13.322000 243 K A 2 "LYS " " HD2" 1 0 1 1 64.14 3807 + 3808 41 20.762000 -4.983000 14.253000 243 K A 2 "LYS " " HE3" 1 0 1 1 69.84 3808 + 3809 41 21.762000 -4.168000 15.440000 243 K A 2 "LYS " " HE2" 1 0 1 1 69.84 3809 + 3810 44 22.679000 -6.023000 13.348000 243 K A 2 "LYS " " HZ1" 1 0 1 1 64.91 3810 + 3811 44 23.657000 -5.298000 14.465000 243 K A 2 "LYS " " HZ2" 1 0 1 1 64.91 3811 + 3812 44 22.507000 -6.380000 14.950000 243 K A 2 "LYS " " HZ3" 1 0 1 1 64.91 3812 + 3813 25 26.419000 -0.090000 12.398000 244 I A 2 "ILE " " N " 7 0 1 1 61.07 3813 + 3814 3 27.884000 -0.083000 12.452000 244 I A 2 "ILE " " CA " 6 0 1 1 53.38 3814 + 3815 2 28.437000 1.021000 13.373000 244 I A 2 "ILE " " C " 6 0 1 1 59.75 3815 + 3816 15 29.385000 0.746000 14.102000 244 I A 2 "ILE " " O " 8 0 1 1 64.62 3816 + 3817 3 28.522000 0.052000 11.032000 244 I A 2 "ILE " " CB " 6 0 1 1 44.27 3817 + 3818 3 28.368000 -1.266000 10.239000 244 I A 2 "ILE " " CG1" 6 0 1 1 30.38 3818 + 3819 3 30.003000 0.497000 10.988000 244 I A 2 "ILE " " CG2" 6 0 1 1 36.86 3819 + 3820 3 28.582000 -1.113000 8.723000 244 I A 2 "ILE " " CD1" 6 0 1 1 34.02 3820 + 3821 43 26.013000 0.239000 11.531000 244 I A 2 "ILE " " H " 1 0 1 1 61.07 3821 + 3822 41 28.192000 -1.042000 12.874000 244 I A 2 "ILE " " HA " 1 0 1 1 53.38 3822 + 3823 41 27.958000 0.822000 10.504000 244 I A 2 "ILE " " HB " 1 0 1 1 44.27 3823 + 3824 41 27.378000 -1.689000 10.404000 244 I A 2 "ILE " "HG13" 1 0 1 1 30.38 3824 + 3825 41 29.064000 -2.008000 10.630000 244 I A 2 "ILE " "HG12" 1 0 1 1 30.38 3825 + 3826 41 30.373000 0.536000 9.966000 244 I A 2 "ILE " "HG21" 1 0 1 1 36.86 3826 + 3827 41 30.145000 1.497000 11.394000 244 I A 2 "ILE " "HG22" 1 0 1 1 36.86 3827 + 3828 41 30.644000 -0.190000 11.540000 244 I A 2 "ILE " "HG23" 1 0 1 1 36.86 3828 + 3829 41 27.977000 -1.834000 8.172000 244 I A 2 "ILE " "HD11" 1 0 1 1 34.02 3829 + 3830 41 28.302000 -0.120000 8.370000 244 I A 2 "ILE " "HD12" 1 0 1 1 34.02 3830 + 3831 41 29.623000 -1.282000 8.451000 244 I A 2 "ILE " "HD13" 1 0 1 1 34.02 3831 + 3832 25 27.842000 2.229000 13.344000 245 M A 2 "MET " " N " 7 0 1 1 56.43 3832 + 3833 3 28.232000 3.371000 14.184000 245 M A 2 "MET " " CA " 6 0 1 1 55.13 3833 + 3834 2 28.105000 3.073000 15.691000 245 M A 2 "MET " " C " 6 0 1 1 61.51 3834 + 3835 15 28.967000 3.490000 16.462000 245 M A 2 "MET " " O " 8 0 1 1 73.33 3835 + 3836 3 27.414000 4.612000 13.760000 245 M A 2 "MET " " CB " 6 0 1 1 57.25 3836 + 3837 3 27.832000 5.957000 14.371000 245 M A 2 "MET " " CG " 6 0 1 1 68.89 3837 + 3838 49 29.404000 6.604000 13.734000 245 M A 2 "MET " " SD " 16 0 1 1 70.48 3838 + 3839 3 30.489000 6.243000 15.125000 245 M A 2 "MET " " CE " 6 0 1 1 82.79 3839 + 3840 43 27.074000 2.391000 12.706000 245 M A 2 "MET " " H " 1 0 1 1 56.43 3840 + 3841 41 29.284000 3.566000 13.971000 245 M A 2 "MET " " HA " 1 0 1 1 55.13 3841 + 3842 41 26.358000 4.454000 13.968000 245 M A 2 "MET " " HB3" 1 0 1 1 57.25 3842 + 3843 41 27.488000 4.721000 12.681000 245 M A 2 "MET " " HB2" 1 0 1 1 57.25 3843 + 3844 41 27.853000 5.916000 15.461000 245 M A 2 "MET " " HG3" 1 0 1 1 68.89 3844 + 3845 41 27.066000 6.691000 14.118000 245 M A 2 "MET " " HG2" 1 0 1 1 68.89 3845 + 3846 41 31.504000 6.584000 14.922000 245 M A 2 "MET " " HE1" 1 0 1 1 82.79 3846 + 3847 41 30.113000 6.768000 15.999000 245 M A 2 "MET " " HE2" 1 0 1 1 82.79 3847 + 3848 41 30.507000 5.176000 15.323000 245 M A 2 "MET " " HE3" 1 0 1 1 82.79 3848 + 3849 25 27.072000 2.295000 16.058000 246 S A 2 "SER " " N " 7 0 1 1 55.19 3849 + 3850 3 26.873000 1.747000 17.396000 246 S A 2 "SER " " CA " 6 0 1 1 51.84 3850 + 3851 2 27.925000 0.675000 17.754000 246 S A 2 "SER " " C " 6 0 1 1 56.21 3851 + 3852 15 28.614000 0.826000 18.760000 246 S A 2 "SER " " O " 8 0 1 1 66.91 3852 + 3853 3 25.422000 1.230000 17.506000 246 S A 2 "SER " " CB " 6 0 1 1 54.03 3853 + 3854 16 25.162000 0.614000 18.751000 246 S A 2 "SER " " OG " 8 0 1 1 75.6 3854 + 3855 43 26.412000 1.998000 15.353000 246 S A 2 "SER " " H " 1 0 1 1 55.19 3855 + 3856 41 26.985000 2.565000 18.110000 246 S A 2 "SER " " HA " 1 0 1 1 51.84 3856 + 3857 41 25.205000 0.508000 16.718000 246 S A 2 "SER " " HB3" 1 0 1 1 54.03 3857 + 3858 41 24.720000 2.054000 17.378000 246 S A 2 "SER " " HB2" 1 0 1 1 54.03 3858 + 3859 42 25.293000 1.263000 19.449000 246 S A 2 "SER " " HG " 1 0 1 1 75.6 3859 + 3860 25 28.031000 -0.384000 16.934000 247 L A 2 "LEU " " N " 7 0 1 1 45.85 3860 + 3861 3 28.867000 -1.557000 17.215000 247 L A 2 "LEU " " CA " 6 0 1 1 47.74 3861 + 3862 2 30.388000 -1.313000 17.122000 247 L A 2 "LEU " " C " 6 0 1 1 53.92 3862 + 3863 15 31.135000 -2.026000 17.792000 247 L A 2 "LEU " " O " 8 0 1 1 62.44 3863 + 3864 3 28.466000 -2.706000 16.259000 247 L A 2 "LEU " " CB " 6 0 1 1 52.96 3864 + 3865 3 27.059000 -3.299000 16.492000 247 L A 2 "LEU " " CG " 6 0 1 1 58.07 3865 + 3866 3 26.669000 -4.220000 15.321000 247 L A 2 "LEU " " CD1" 6 0 1 1 50.28 3866 + 3867 3 26.943000 -4.027000 17.847000 247 L A 2 "LEU " " CD2" 6 0 1 1 49.2 3867 + 3868 43 27.444000 -0.442000 16.112000 247 L A 2 "LEU " " H " 1 0 1 1 45.85 3868 + 3869 41 28.667000 -1.867000 18.241000 247 L A 2 "LEU " " HA " 1 0 1 1 47.74 3869 + 3870 41 29.194000 -3.517000 16.324000 247 L A 2 "LEU " " HB3" 1 0 1 1 52.96 3870 + 3871 41 28.528000 -2.336000 15.234000 247 L A 2 "LEU " " HB2" 1 0 1 1 52.96 3871 + 3872 41 26.334000 -2.485000 16.507000 247 L A 2 "LEU " " HG " 1 0 1 1 58.07 3872 + 3873 41 25.870000 -4.912000 15.586000 247 L A 2 "LEU " "HD11" 1 0 1 1 50.28 3873 + 3874 41 26.320000 -3.634000 14.471000 247 L A 2 "LEU " "HD12" 1 0 1 1 50.28 3874 + 3875 41 27.519000 -4.813000 14.981000 247 L A 2 "LEU " "HD13" 1 0 1 1 50.28 3875 + 3876 41 26.588000 -5.052000 17.741000 247 L A 2 "LEU " "HD21" 1 0 1 1 49.2 3876 + 3877 41 27.900000 -4.082000 18.366000 247 L A 2 "LEU " "HD22" 1 0 1 1 49.2 3877 + 3878 41 26.245000 -3.510000 18.506000 247 L A 2 "LEU " "HD23" 1 0 1 1 49.2 3878 + 3879 25 30.820000 -0.363000 16.276000 248 Y A 2 "TYR " " N " 7 0 0 1 52.11 3879 + 3880 3 32.210000 -0.219000 15.830000 248 Y A 2 "TYR " " CA " 6 0 0 1 50.49 3880 + 3881 2 32.672000 1.245000 15.826000 248 Y A 2 "TYR " " C " 6 0 0 1 60.66 3881 + 3882 15 33.411000 1.617000 14.914000 248 Y A 2 "TYR " " O " 8 0 0 1 59.63 3882 + 3883 3 32.369000 -0.870000 14.429000 248 Y A 2 "TYR " " CB " 6 0 0 1 40.83 3883 + 3884 2 32.004000 -2.338000 14.357000 248 Y A 2 "TYR " " CG " 6 0 0 1 63.48 3884 + 3885 2 32.744000 -3.293000 15.085000 248 Y A 2 "TYR " " CD1" 6 0 0 1 72.62 3885 + 3886 2 30.894000 -2.747000 13.591000 248 Y A 2 "TYR " " CD2" 6 0 0 1 71.9 3886 + 3887 2 32.352000 -4.645000 15.074000 248 Y A 2 "TYR " " CE1" 6 0 0 1 80.07 3887 + 3888 2 30.502000 -4.098000 13.579000 248 Y A 2 "TYR " " CE2" 6 0 0 1 70.89 3888 + 3889 2 31.224000 -5.044000 14.329000 248 Y A 2 "TYR " " CZ " 6 0 0 1 77.27 3889 + 3890 16 30.828000 -6.348000 14.342000 248 Y A 2 "TYR " " OH " 8 0 0 1 85.66 3890 + 3891 43 30.140000 0.185000 15.764000 248 Y A 2 "TYR " " H " 1 0 0 1 52.11 3891 + 3892 41 32.880000 -0.729000 16.524000 248 Y A 2 "TYR " " HA " 1 0 0 1 50.49 3892 + 3893 41 33.390000 -0.778000 14.065000 248 Y A 2 "TYR " " HB3" 1 0 0 1 40.83 3893 + 3894 41 31.764000 -0.323000 13.705000 248 Y A 2 "TYR " " HB2" 1 0 0 1 40.83 3894 + 3895 41 33.597000 -2.988000 15.674000 248 Y A 2 "TYR " " HD1" 1 0 0 1 72.62 3895 + 3896 41 30.322000 -2.025000 13.029000 248 Y A 2 "TYR " " HD2" 1 0 0 1 71.9 3896 + 3897 41 32.910000 -5.371000 15.646000 248 Y A 2 "TYR " " HE1" 1 0 0 1 80.07 3897 + 3898 41 29.641000 -4.401000 13.001000 248 Y A 2 "TYR " " HE2" 1 0 0 1 70.89 3898 + 3899 42 30.010000 -6.516000 13.864000 248 Y A 2 "TYR " " HH " 1 0 0 1 85.66 3899 + 3900 25 32.275000 2.041000 16.841000 249 Y A 2 "TYR " " N " 7 0 0 1 60.58 3900 + 3901 3 32.630000 3.463000 16.988000 249 Y A 2 "TYR " " CA " 6 0 0 1 56.56 3901 + 3902 2 34.131000 3.770000 16.806000 249 Y A 2 "TYR " " C " 6 0 0 1 59.58 3902 + 3903 15 34.465000 4.719000 16.098000 249 Y A 2 "TYR " " O " 8 0 0 1 67.84 3903 + 3904 3 32.083000 4.032000 18.329000 249 Y A 2 "TYR " " CB " 6 0 0 1 61.7 3904 + 3905 2 32.446000 5.488000 18.616000 249 Y A 2 "TYR " " CG " 6 0 0 1 56.8 3905 + 3906 2 31.523000 6.520000 18.354000 249 Y A 2 "TYR " " CD1" 6 0 0 1 53.04 3906 + 3907 2 33.729000 5.823000 19.098000 249 Y A 2 "TYR " " CD2" 6 0 0 1 51.72 3907 + 3908 2 31.904000 7.869000 18.493000 249 Y A 2 "TYR " " CE1" 6 0 0 1 60.65 3908 + 3909 2 34.122000 7.168000 19.219000 249 Y A 2 "TYR " " CE2" 6 0 0 1 58.99 3909 + 3910 2 33.211000 8.192000 18.908000 249 Y A 2 "TYR " " CZ " 6 0 0 1 54.69 3910 + 3911 16 33.609000 9.490000 19.009000 249 Y A 2 "TYR " " OH " 8 0 0 1 58.72 3911 + 3912 43 31.664000 1.663000 17.552000 249 Y A 2 "TYR " " H " 1 0 0 1 60.58 3912 + 3913 41 32.115000 3.976000 16.179000 249 Y A 2 "TYR " " HA " 1 0 0 1 56.56 3913 + 3914 41 32.450000 3.428000 19.161000 249 Y A 2 "TYR " " HB3" 1 0 0 1 61.7 3914 + 3915 41 30.997000 3.930000 18.350000 249 Y A 2 "TYR " " HB2" 1 0 0 1 61.7 3915 + 3916 41 30.523000 6.274000 18.036000 249 Y A 2 "TYR " " HD1" 1 0 0 1 53.04 3916 + 3917 41 34.437000 5.043000 19.325000 249 Y A 2 "TYR " " HD2" 1 0 0 1 51.72 3917 + 3918 41 31.195000 8.651000 18.263000 249 Y A 2 "TYR " " HE1" 1 0 0 1 60.65 3918 + 3919 41 35.121000 7.409000 19.550000 249 Y A 2 "TYR " " HE2" 1 0 0 1 58.99 3919 + 3920 42 32.908000 10.126000 18.808000 249 Y A 2 "TYR " " HH " 1 0 0 1 58.72 3920 + 3921 25 34.994000 2.966000 17.451000 250 Q A 2 "GLN " " N " 7 0 0 1 68.4 3921 + 3922 3 36.448000 3.143000 17.458000 250 Q A 2 "GLN " " CA " 6 0 0 1 76.1 3922 + 3923 2 37.124000 3.039000 16.084000 250 Q A 2 "GLN " " C " 6 0 0 1 75.37 3923 + 3924 15 38.120000 3.727000 15.861000 250 Q A 2 "GLN " " O " 8 0 0 1 76.35 3924 + 3925 3 37.081000 2.149000 18.454000 250 Q A 2 "GLN " " CB " 6 0 0 1 85.79 3925 + 3926 3 36.820000 2.491000 19.930000 250 Q A 2 "GLN " " CG " 6 0 0 1 110.96 3926 + 3927 2 37.452000 3.821000 20.353000 250 Q A 2 "GLN " " CD " 6 0 0 1 116.18 3927 + 3928 15 38.667000 3.988000 20.292000 250 Q A 2 "GLN " " OE1" 8 0 0 1 109.29 3928 + 3929 25 36.625000 4.773000 20.786000 250 Q A 2 "GLN " " NE2" 7 0 0 1 111.52 3929 + 3930 43 34.636000 2.203000 18.007000 250 Q A 2 "GLN " " H " 1 0 0 1 68.4 3930 + 3931 41 36.635000 4.164000 17.795000 250 Q A 2 "GLN " " HA " 1 0 0 1 76.1 3931 + 3932 41 38.160000 2.098000 18.297000 250 Q A 2 "GLN " " HB3" 1 0 0 1 85.79 3932 + 3933 41 36.711000 1.143000 18.250000 250 Q A 2 "GLN " " HB2" 1 0 0 1 85.79 3933 + 3934 41 37.245000 1.702000 20.545000 250 Q A 2 "GLN " " HG3" 1 0 0 1 110.96 3934 + 3935 41 35.749000 2.498000 20.138000 250 Q A 2 "GLN " " HG2" 1 0 0 1 110.96 3935 + 3936 43 36.982000 5.682000 21.053000 250 Q A 2 "GLN " "HE22" 1 0 0 1 111.52 3936 + 3937 43 35.632000 4.599000 20.847000 250 Q A 2 "GLN " "HE21" 1 0 0 1 111.52 3937 + 3938 25 36.563000 2.212000 15.190000 251 Y A 2 "TYR " " N " 7 0 0 1 75.5 3938 + 3939 3 37.065000 2.028000 13.831000 251 Y A 2 "TYR " " CA " 6 0 0 1 72.65 3939 + 3940 2 36.600000 3.114000 12.842000 251 Y A 2 "TYR " " C " 6 0 0 1 72.57 3940 + 3941 15 37.147000 3.165000 11.740000 251 Y A 2 "TYR " " O " 8 0 0 1 78.31 3941 + 3942 3 36.652000 0.632000 13.332000 251 Y A 2 "TYR " " CB " 6 0 0 1 70.2 3942 + 3943 2 37.227000 -0.534000 14.121000 251 Y A 2 "TYR " " CG " 6 0 0 1 71.01 3943 + 3944 2 38.622000 -0.732000 14.158000 251 Y A 2 "TYR " " CD1" 6 0 0 1 73.34 3944 + 3945 2 36.381000 -1.426000 14.812000 251 Y A 2 "TYR " " CD2" 6 0 0 1 78.92 3945 + 3946 2 39.169000 -1.809000 14.881000 251 Y A 2 "TYR " " CE1" 6 0 0 1 80.66 3946 + 3947 2 36.925000 -2.509000 15.530000 251 Y A 2 "TYR " " CE2" 6 0 0 1 85.74 3947 + 3948 2 38.320000 -2.694000 15.571000 251 Y A 2 "TYR " " CZ " 6 0 0 1 87.37 3948 + 3949 16 38.854000 -3.733000 16.275000 251 Y A 2 "TYR " " OH " 8 0 0 1 97.03 3949 + 3950 43 35.732000 1.693000 15.437000 251 Y A 2 "TYR " " H " 1 0 0 1 75.5 3950 + 3951 41 38.156000 2.073000 13.851000 251 Y A 2 "TYR " " HA " 1 0 0 1 72.65 3951 + 3952 41 37.008000 0.524000 12.311000 251 Y A 2 "TYR " " HB3" 1 0 0 1 70.2 3952 + 3953 41 35.565000 0.548000 13.290000 251 Y A 2 "TYR " " HB2" 1 0 0 1 70.2 3953 + 3954 41 39.278000 -0.054000 13.634000 251 Y A 2 "TYR " " HD1" 1 0 0 1 73.34 3954 + 3955 41 35.314000 -1.290000 14.801000 251 Y A 2 "TYR " " HD2" 1 0 0 1 78.92 3955 + 3956 41 40.239000 -1.952000 14.907000 251 Y A 2 "TYR " " HE1" 1 0 0 1 80.66 3956 + 3957 41 36.269000 -3.190000 16.053000 251 Y A 2 "TYR " " HE2" 1 0 0 1 85.74 3957 + 3958 42 38.200000 -4.417000 16.467000 251 Y A 2 "TYR " " HH " 1 0 0 1 97.03 3958 + 3959 25 35.608000 3.943000 13.220000 252 M A 2 "MET " " N " 7 0 0 1 65.35 3959 + 3960 3 34.974000 4.914000 12.325000 252 M A 2 "MET " " CA " 6 0 0 1 63.69 3960 + 3961 2 35.800000 6.155000 11.964000 252 M A 2 "MET " " C " 6 0 0 1 64.75 3961 + 3962 15 35.417000 6.798000 10.991000 252 M A 2 "MET " " O " 8 0 0 1 62.29 3962 + 3963 3 33.575000 5.326000 12.835000 252 M A 2 "MET " " CB " 6 0 0 1 56.16 3963 + 3964 3 32.509000 4.223000 12.746000 252 M A 2 "MET " " CG " 6 0 0 1 62.66 3964 + 3965 49 32.167000 3.579000 11.082000 252 M A 2 "MET " " SD " 16 0 0 1 71.12 3965 + 3966 3 33.138000 2.046000 11.109000 252 M A 2 "MET " " CE " 6 0 0 1 46.89 3966 + 3967 43 35.218000 3.867000 14.150000 252 M A 2 "MET " " H " 1 0 0 1 65.35 3967 + 3968 41 34.834000 4.418000 11.369000 252 M A 2 "MET " " HA " 1 0 0 1 63.69 3968 + 3969 41 33.200000 6.177000 12.263000 252 M A 2 "MET " " HB3" 1 0 0 1 56.16 3969 + 3970 41 33.645000 5.686000 13.861000 252 M A 2 "MET " " HB2" 1 0 0 1 56.16 3970 + 3971 41 31.568000 4.612000 13.129000 252 M A 2 "MET " " HG3" 1 0 0 1 62.66 3971 + 3972 41 32.770000 3.398000 13.398000 252 M A 2 "MET " " HG2" 1 0 0 1 62.66 3972 + 3973 41 33.008000 1.502000 10.174000 252 M A 2 "MET " " HE1" 1 0 0 1 46.89 3973 + 3974 41 34.200000 2.245000 11.236000 252 M A 2 "MET " " HE2" 1 0 0 1 46.89 3974 + 3975 41 32.809000 1.404000 11.926000 252 M A 2 "MET " " HE3" 1 0 0 1 46.89 3975 + 3976 25 36.893000 6.481000 12.683000 253 E A 2 "GLU " " N " 7 0 1 1 71.02 3976 + 3977 3 37.689000 7.696000 12.424000 253 E A 2 "GLU " " CA " 6 0 1 1 69.18 3977 + 3978 2 38.280000 7.774000 11.000000 253 E A 2 "GLU " " C " 6 0 1 1 62.68 3978 + 3979 15 38.401000 8.875000 10.461000 253 E A 2 "GLU " " O " 8 0 1 1 60.82 3979 + 3980 3 38.762000 7.887000 13.523000 253 E A 2 "GLU " " CB " 6 0 1 1 81.44 3980 + 3981 3 39.411000 9.292000 13.504000 253 E A 2 "GLU " " CG " 6 0 1 1 88.17 3981 + 3982 2 40.502000 9.520000 14.553000 253 E A 2 "GLU " " CD " 6 0 1 1 98.57 3982 + 3983 15 40.520000 8.789000 15.568000 253 E A 2 "GLU " " OE1" 8 0 1 1 104.83 3983 + 3984 18 41.311000 10.444000 14.321000 253 E A 2 "GLU " " OE2" 8 -1 1 1 96.65 3984 + 3985 43 37.180000 5.905000 13.461000 253 E A 2 "GLU " " H " 1 0 1 1 71.02 3985 + 3986 41 36.995000 8.534000 12.495000 253 E A 2 "GLU " " HA " 1 0 1 1 69.18 3986 + 3987 41 39.537000 7.127000 13.409000 253 E A 2 "GLU " " HB3" 1 0 1 1 81.44 3987 + 3988 41 38.317000 7.711000 14.503000 253 E A 2 "GLU " " HB2" 1 0 1 1 81.44 3988 + 3989 41 38.643000 10.052000 13.649000 253 E A 2 "GLU " " HG3" 1 0 1 1 88.17 3989 + 3990 41 39.863000 9.489000 12.532000 253 E A 2 "GLU " " HG2" 1 0 1 1 88.17 3990 + 3991 25 38.569000 6.608000 10.400000 254 T A 2 "THR " " N " 7 0 1 1 61.29 3991 + 3992 3 39.033000 6.460000 9.021000 254 T A 2 "THR " " CA " 6 0 1 1 60.34 3992 + 3993 2 37.995000 6.890000 7.960000 254 T A 2 "THR " " C " 6 0 1 1 67.06 3993 + 3994 15 38.396000 7.416000 6.924000 254 T A 2 "THR " " O " 8 0 1 1 69.07 3994 + 3995 3 39.413000 4.983000 8.724000 254 T A 2 "THR " " CB " 6 0 1 1 66.47 3995 + 3996 16 40.300000 4.506000 9.716000 254 T A 2 "THR " " OG1" 8 0 1 1 69.57 3996 + 3997 3 40.064000 4.727000 7.351000 254 T A 2 "THR " " CG2" 6 0 1 1 64.67 3997 + 3998 43 38.451000 5.746000 10.913000 254 T A 2 "THR " " H " 1 0 1 1 61.29 3998 + 3999 41 39.920000 7.084000 8.900000 254 T A 2 "THR " " HA " 1 0 1 1 60.34 3999 + 4000 41 38.519000 4.364000 8.798000 254 T A 2 "THR " " HB " 1 0 1 1 66.47 4000 + 4001 42 40.675000 3.675000 9.414000 254 T A 2 "THR " " HG1" 1 0 1 1 69.57 4001 + 4002 41 40.392000 3.690000 7.260000 254 T A 2 "THR " "HG21" 1 0 1 1 64.67 4002 + 4003 41 39.370000 4.906000 6.531000 254 T A 2 "THR " "HG22" 1 0 1 1 64.67 4003 + 4004 41 40.935000 5.366000 7.199000 254 T A 2 "THR " "HG23" 1 0 1 1 64.67 4004 + 4005 25 36.700000 6.649000 8.229000 255 Y A 2 "TYR " " N " 7 0 1 1 69.97 4005 + 4006 3 35.607000 6.802000 7.259000 255 Y A 2 "TYR " " CA " 6 0 1 1 63.97 4006 + 4007 2 34.743000 8.041000 7.527000 255 Y A 2 "TYR " " C " 6 0 1 1 63.09 4007 + 4008 15 34.093000 8.508000 6.593000 255 Y A 2 "TYR " " O " 8 0 1 1 58.5 4008 + 4009 3 34.720000 5.536000 7.281000 255 Y A 2 "TYR " " CB " 6 0 1 1 63.67 4009 + 4010 2 35.510000 4.242000 7.273000 255 Y A 2 "TYR " " CG " 6 0 1 1 73.26 4010 + 4011 2 35.593000 3.470000 8.447000 255 Y A 2 "TYR " " CD1" 6 0 1 1 67.97 4011 + 4012 2 36.245000 3.864000 6.132000 255 Y A 2 "TYR " " CD2" 6 0 1 1 79.08 4012 + 4013 2 36.453000 2.361000 8.503000 255 Y A 2 "TYR " " CE1" 6 0 1 1 71.02 4013 + 4014 2 37.097000 2.744000 6.183000 255 Y A 2 "TYR " " CE2" 6 0 1 1 76 4014 + 4015 2 37.219000 2.005000 7.375000 255 Y A 2 "TYR " " CZ " 6 0 1 1 75.13 4015 + 4016 16 38.099000 0.964000 7.445000 255 Y A 2 "TYR " " OH " 8 0 1 1 83.93 4016 + 4017 43 36.448000 6.246000 9.120000 255 Y A 2 "TYR " " H " 1 0 1 1 69.97 4017 + 4018 41 36.014000 6.904000 6.251000 255 Y A 2 "TYR " " HA " 1 0 1 1 63.97 4018 + 4019 41 34.026000 5.539000 6.439000 255 Y A 2 "TYR " " HB3" 1 0 1 1 63.67 4019 + 4020 41 34.104000 5.539000 8.181000 255 Y A 2 "TYR " " HB2" 1 0 1 1 63.67 4020 + 4021 41 35.031000 3.751000 9.323000 255 Y A 2 "TYR " " HD1" 1 0 1 1 67.97 4021 + 4022 41 36.189000 4.454000 5.229000 255 Y A 2 "TYR " " HD2" 1 0 1 1 79.08 4022 + 4023 41 36.538000 1.815000 9.429000 255 Y A 2 "TYR " " HE1" 1 0 1 1 71.02 4023 + 4024 41 37.674000 2.476000 5.311000 255 Y A 2 "TYR " " HE2" 1 0 1 1 76 4024 + 4025 42 38.655000 0.884000 6.663000 255 Y A 2 "TYR " " HH " 1 0 1 1 83.93 4025 + 4026 25 34.742000 8.540000 8.777000 256 M A 2 "MET " " N " 7 0 1 1 65.69 4026 + 4027 3 33.896000 9.627000 9.269000 256 M A 2 "MET " " CA " 6 0 1 1 67.75 4027 + 4028 2 34.045000 10.928000 8.464000 256 M A 2 "MET " " C " 6 0 1 1 67.13 4028 + 4029 15 33.074000 11.368000 7.851000 256 M A 2 "MET " " O " 8 0 1 1 72.72 4029 + 4030 3 34.123000 9.829000 10.782000 256 M A 2 "MET " " CB " 6 0 1 1 80.06 4030 + 4031 3 33.143000 10.798000 11.465000 256 M A 2 "MET " " CG " 6 0 1 1 80.12 4031 + 4032 49 31.457000 10.163000 11.689000 256 M A 2 "MET " " SD " 16 0 1 1 78.09 4032 + 4033 3 30.585000 11.166000 10.465000 256 M A 2 "MET " " CE " 6 0 1 1 76.36 4033 + 4034 43 35.306000 8.080000 9.481000 256 M A 2 "MET " " H " 1 0 1 1 65.69 4034 + 4035 41 32.876000 9.280000 9.150000 256 M A 2 "MET " " HA " 1 0 1 1 67.75 4035 + 4036 41 35.147000 10.154000 10.971000 256 M A 2 "MET " " HB3" 1 0 1 1 80.06 4036 + 4037 41 34.024000 8.870000 11.289000 256 M A 2 "MET " " HB2" 1 0 1 1 80.06 4037 + 4038 41 33.114000 11.762000 10.958000 256 M A 2 "MET " " HG3" 1 0 1 1 80.12 4038 + 4039 41 33.518000 11.009000 12.460000 256 M A 2 "MET " " HG2" 1 0 1 1 80.12 4039 + 4040 41 29.531000 10.896000 10.422000 256 M A 2 "MET " " HE1" 1 0 1 1 76.36 4040 + 4041 41 30.666000 12.224000 10.709000 256 M A 2 "MET " " HE2" 1 0 1 1 76.36 4041 + 4042 41 31.021000 11.008000 9.484000 256 M A 2 "MET " " HE3" 1 0 1 1 76.36 4042 + 4043 25 35.266000 11.484000 8.453000 257 G A 2 "GLY " " N " 7 0 0 1 62.54 4043 + 4044 3 35.618000 12.699000 7.721000 257 G A 2 "GLY " " CA " 6 0 0 1 68.26 4044 + 4045 2 35.492000 12.545000 6.191000 257 G A 2 "GLY " " C " 6 0 0 1 69.13 4045 + 4046 15 34.796000 13.366000 5.592000 257 G A 2 "GLY " " O " 8 0 0 1 71.68 4046 + 4047 43 36.008000 11.038000 8.974000 257 G A 2 "GLY " " H " 1 0 0 1 62.54 4047 + 4048 41 36.647000 12.969000 7.962000 257 G A 2 "GLY " " HA3" 1 0 0 1 68.26 4048 + 4049 41 34.990000 13.523000 8.065000 257 G A 2 "GLY " " HA2" 1 0 0 1 68.26 4049 + 4050 25 36.119000 11.532000 5.543000 258 P A 2 "PRO " " N " 7 0 0 1 71.2 4050 + 4051 3 36.147000 11.454000 4.069000 258 P A 2 "PRO " " CA " 6 0 0 1 74.42 4051 + 4052 2 34.895000 10.875000 3.377000 258 P A 2 "PRO " " C " 6 0 0 1 82.46 4052 + 4053 15 34.895000 10.855000 2.146000 258 P A 2 "PRO " " O " 8 0 0 1 81.53 4053 + 4054 3 37.398000 10.609000 3.778000 258 P A 2 "PRO " " CB " 6 0 0 1 72.38 4054 + 4055 3 37.520000 9.698000 4.982000 258 P A 2 "PRO " " CG " 6 0 0 1 70.94 4055 + 4056 3 37.083000 10.596000 6.132000 258 P A 2 "PRO " " CD " 6 0 0 1 71.31 4056 + 4057 41 36.302000 12.448000 3.645000 258 P A 2 "PRO " " HA " 1 0 0 1 74.42 4057 + 4058 41 38.270000 11.263000 3.725000 258 P A 2 "PRO " " HB3" 1 0 0 1 72.38 4058 + 4059 41 37.358000 10.052000 2.841000 258 P A 2 "PRO " " HB2" 1 0 0 1 72.38 4059 + 4060 41 38.524000 9.293000 5.106000 258 P A 2 "PRO " " HG3" 1 0 0 1 70.94 4060 + 4061 41 36.824000 8.864000 4.881000 258 P A 2 "PRO " " HG2" 1 0 0 1 70.94 4061 + 4062 41 36.682000 9.996000 6.944000 258 P A 2 "PRO " " HD2" 1 0 0 1 71.31 4062 + 4063 41 37.934000 11.160000 6.516000 258 P A 2 "PRO " " HD3" 1 0 0 1 71.31 4063 + 4064 25 33.870000 10.417000 4.122000 259 A A 2 "ALA " " N " 7 0 0 1 83.51 4064 + 4065 3 32.693000 9.782000 3.519000 259 A A 2 "ALA " " CA " 6 0 0 1 75.16 4065 + 4066 2 31.415000 9.921000 4.354000 259 A A 2 "ALA " " C " 6 0 0 1 69.13 4066 + 4067 15 30.463000 10.525000 3.858000 259 A A 2 "ALA " " O " 8 0 0 1 75.44 4067 + 4068 3 32.986000 8.312000 3.169000 259 A A 2 "ALA " " CB " 6 0 0 1 65.82 4068 + 4069 43 33.912000 10.444000 5.131000 259 A A 2 "ALA " " H " 1 0 0 1 83.51 4069 + 4070 41 32.474000 10.294000 2.580000 259 A A 2 "ALA " " HA " 1 0 0 1 75.16 4070 + 4071 41 32.104000 7.815000 2.762000 259 A A 2 "ALA " " HB1" 1 0 0 1 65.82 4071 + 4072 41 33.774000 8.233000 2.419000 259 A A 2 "ALA " " HB2" 1 0 0 1 65.82 4072 + 4073 41 33.308000 7.747000 4.044000 259 A A 2 "ALA " " HB3" 1 0 0 1 65.82 4073 + 4074 25 31.384000 9.333000 5.568000 260 L A 2 "LEU " " N " 7 0 1 1 59.55 4074 + 4075 3 30.153000 9.184000 6.363000 260 L A 2 "LEU " " CA " 6 0 1 1 57.33 4075 + 4076 2 29.476000 10.508000 6.730000 260 L A 2 "LEU " " C " 6 0 1 1 63.2 4076 + 4077 15 28.248000 10.545000 6.745000 260 L A 2 "LEU " " O " 8 0 1 1 68.04 4077 + 4078 3 30.370000 8.382000 7.665000 260 L A 2 "LEU " " CB " 6 0 1 1 56 4078 + 4079 3 30.984000 6.979000 7.523000 260 L A 2 "LEU " " CG " 6 0 1 1 54.15 4079 + 4080 3 31.064000 6.283000 8.898000 260 L A 2 "LEU " " CD1" 6 0 1 1 56.65 4080 + 4081 3 30.234000 6.124000 6.496000 260 L A 2 "LEU " " CD2" 6 0 1 1 51.99 4081 + 4082 43 32.212000 8.873000 5.925000 260 L A 2 "LEU " " H " 1 0 1 1 59.55 4082 + 4083 41 29.446000 8.635000 5.739000 260 L A 2 "LEU " " HA " 1 0 1 1 57.33 4083 + 4084 41 29.403000 8.272000 8.160000 260 L A 2 "LEU " " HB3" 1 0 1 1 56 4084 + 4085 41 30.971000 8.969000 8.351000 260 L A 2 "LEU " " HB2" 1 0 1 1 56 4085 + 4086 41 32.004000 7.087000 7.160000 260 L A 2 "LEU " " HG " 1 0 1 1 54.15 4086 + 4087 41 32.086000 5.987000 9.129000 260 L A 2 "LEU " "HD11" 1 0 1 1 56.65 4087 + 4088 41 30.735000 6.933000 9.709000 260 L A 2 "LEU " "HD12" 1 0 1 1 56.65 4088 + 4089 41 30.445000 5.386000 8.943000 260 L A 2 "LEU " "HD13" 1 0 1 1 56.65 4089 + 4090 41 30.427000 5.064000 6.645000 260 L A 2 "LEU " "HD21" 1 0 1 1 51.99 4090 + 4091 41 29.158000 6.285000 6.549000 260 L A 2 "LEU " "HD22" 1 0 1 1 51.99 4091 + 4092 41 30.560000 6.369000 5.486000 260 L A 2 "LEU " "HD23" 1 0 1 1 51.99 4092 + 4093 25 30.267000 11.563000 6.993000 261 F A 2 "PHE " " N " 7 0 1 1 62.85 4093 + 4094 3 29.765000 12.900000 7.299000 261 F A 2 "PHE " " CA " 6 0 1 1 62.26 4094 + 4095 2 28.898000 13.458000 6.161000 261 F A 2 "PHE " " C " 6 0 1 1 68.56 4095 + 4096 15 27.742000 13.781000 6.409000 261 F A 2 "PHE " " O " 8 0 1 1 72.27 4096 + 4097 3 30.917000 13.849000 7.703000 261 F A 2 "PHE " " CB " 6 0 1 1 64.52 4097 + 4098 2 30.483000 15.273000 8.016000 261 F A 2 "PHE " " CG " 6 0 1 1 61.8 4098 + 4099 2 29.917000 15.574000 9.273000 261 F A 2 "PHE " " CD1" 6 0 1 1 64.04 4099 + 4100 2 30.456000 16.257000 7.004000 261 F A 2 "PHE " " CD2" 6 0 1 1 58.64 4100 + 4101 2 29.386000 16.833000 9.515000 261 F A 2 "PHE " " CE1" 6 0 1 1 61.86 4101 + 4102 2 29.925000 17.513000 7.267000 261 F A 2 "PHE " " CE2" 6 0 1 1 55.93 4102 + 4103 2 29.397000 17.799000 8.519000 261 F A 2 "PHE " " CZ " 6 0 1 1 62.58 4103 + 4104 43 31.273000 11.451000 6.980000 261 F A 2 "PHE " " H " 1 0 1 1 62.85 4104 + 4105 41 29.116000 12.799000 8.171000 261 F A 2 "PHE " " HA " 1 0 1 1 62.26 4105 + 4106 41 31.682000 13.868000 6.926000 261 F A 2 "PHE " " HB3" 1 0 1 1 64.52 4106 + 4107 41 31.406000 13.453000 8.594000 261 F A 2 "PHE " " HB2" 1 0 1 1 64.52 4107 + 4108 41 29.895000 14.824000 10.047000 261 F A 2 "PHE " " HD1" 1 0 1 1 64.04 4108 + 4109 41 30.838000 16.034000 6.018000 261 F A 2 "PHE " " HD2" 1 0 1 1 58.64 4109 + 4110 41 28.954000 17.064000 10.474000 261 F A 2 "PHE " " HE1" 1 0 1 1 61.86 4110 + 4111 41 29.910000 18.265000 6.492000 261 F A 2 "PHE " " HE2" 1 0 1 1 55.93 4111 + 4112 41 28.977000 18.773000 8.712000 261 F A 2 "PHE " " HZ " 1 0 1 1 62.58 4112 + 4113 25 29.450000 13.491000 4.936000 262 A A 2 "ALA " " N " 7 0 1 1 65.04 4113 + 4114 3 28.763000 13.955000 3.731000 262 A A 2 "ALA " " CA " 6 0 1 1 62.73 4114 + 4115 2 27.494000 13.153000 3.387000 262 A A 2 "ALA " " C " 6 0 1 1 62.02 4115 + 4116 15 26.478000 13.768000 3.063000 262 A A 2 "ALA " " O " 8 0 1 1 56.16 4116 + 4117 3 29.752000 13.949000 2.556000 262 A A 2 "ALA " " CB " 6 0 1 1 67.52 4117 + 4118 43 30.397000 13.165000 4.810000 262 A A 2 "ALA " " H " 1 0 1 1 65.04 4118 + 4119 41 28.460000 14.989000 3.909000 262 A A 2 "ALA " " HA " 1 0 1 1 62.73 4119 + 4120 41 29.283000 14.311000 1.640000 262 A A 2 "ALA " " HB1" 1 0 1 1 67.52 4120 + 4121 41 30.606000 14.596000 2.762000 262 A A 2 "ALA " " HB2" 1 0 1 1 67.52 4121 + 4122 41 30.136000 12.947000 2.358000 262 A A 2 "ALA " " HB3" 1 0 1 1 67.52 4122 + 4123 25 27.569000 11.814000 3.504000 263 I A 2 "ILE " " N " 7 0 1 1 54.57 4123 + 4124 3 26.460000 10.884000 3.262000 263 I A 2 "ILE " " CA " 6 0 1 1 46.37 4124 + 4125 2 25.271000 11.118000 4.214000 263 I A 2 "ILE " " C " 6 0 1 1 51.26 4125 + 4126 15 24.149000 11.292000 3.741000 263 I A 2 "ILE " " O " 8 0 1 1 52.98 4126 + 4127 3 26.923000 9.392000 3.355000 263 I A 2 "ILE " " CB " 6 0 1 1 44.83 4127 + 4128 3 27.851000 9.032000 2.172000 263 I A 2 "ILE " " CG1" 6 0 1 1 43.33 4128 + 4129 3 25.784000 8.348000 3.455000 263 I A 2 "ILE " " CG2" 6 0 1 1 44.73 4129 + 4130 3 28.617000 7.713000 2.359000 263 I A 2 "ILE " " CD1" 6 0 1 1 52.83 4130 + 4131 43 28.446000 11.393000 3.779000 263 I A 2 "ILE " " H " 1 0 1 1 54.57 4131 + 4132 41 26.103000 11.065000 2.246000 263 I A 2 "ILE " " HA " 1 0 1 1 46.37 4132 + 4133 41 27.517000 9.298000 4.266000 263 I A 2 "ILE " " HB " 1 0 1 1 44.83 4133 + 4134 41 28.577000 9.827000 2.005000 263 I A 2 "ILE " "HG13" 1 0 1 1 43.33 4134 + 4135 41 27.261000 8.977000 1.256000 263 I A 2 "ILE " "HG12" 1 0 1 1 43.33 4135 + 4136 41 26.174000 7.331000 3.453000 263 I A 2 "ILE " "HG21" 1 0 1 1 44.73 4136 + 4137 41 25.213000 8.444000 4.378000 263 I A 2 "ILE " "HG22" 1 0 1 1 44.73 4137 + 4138 41 25.092000 8.434000 2.616000 263 I A 2 "ILE " "HG23" 1 0 1 1 44.73 4138 + 4139 41 29.573000 7.744000 1.835000 263 I A 2 "ILE " "HD11" 1 0 1 1 52.83 4139 + 4140 41 28.829000 7.511000 3.409000 263 I A 2 "ILE " "HD12" 1 0 1 1 52.83 4140 + 4141 41 28.054000 6.868000 1.963000 263 I A 2 "ILE " "HD13" 1 0 1 1 52.83 4141 + 4142 25 25.545000 11.118000 5.528000 264 T A 2 "THR " " N " 7 0 1 1 48.84 4142 + 4143 3 24.537000 11.225000 6.584000 264 T A 2 "THR " " CA " 6 0 1 1 54.44 4143 + 4144 2 23.958000 12.647000 6.727000 264 T A 2 "THR " " C " 6 0 1 1 60.1 4144 + 4145 15 22.787000 12.763000 7.083000 264 T A 2 "THR " " O " 8 0 1 1 72.25 4145 + 4146 3 25.106000 10.774000 7.953000 264 T A 2 "THR " " CB " 6 0 1 1 55.91 4146 + 4147 16 26.146000 11.623000 8.408000 264 T A 2 "THR " " OG1" 8 0 1 1 70.74 4147 + 4148 3 25.588000 9.312000 7.918000 264 T A 2 "THR " " CG2" 6 0 1 1 45.78 4148 + 4149 43 26.500000 10.985000 5.836000 264 T A 2 "THR " " H " 1 0 1 1 48.84 4149 + 4150 41 23.715000 10.554000 6.330000 264 T A 2 "THR " " HA " 1 0 1 1 54.44 4150 + 4151 41 24.318000 10.838000 8.706000 264 T A 2 "THR " " HB " 1 0 1 1 55.91 4151 + 4152 42 26.944000 11.414000 7.912000 264 T A 2 "THR " " HG1" 1 0 1 1 70.74 4152 + 4153 41 26.209000 9.074000 8.776000 264 T A 2 "THR " "HG21" 1 0 1 1 45.78 4153 + 4154 41 24.739000 8.628000 7.922000 264 T A 2 "THR " "HG22" 1 0 1 1 45.78 4154 + 4155 41 26.178000 9.076000 7.034000 264 T A 2 "THR " "HG23" 1 0 1 1 45.78 4155 + 4156 25 24.742000 13.687000 6.398000 265 I A 2 "ILE " " N " 7 0 1 1 63.55 4156 + 4157 3 24.289000 15.079000 6.367000 265 I A 2 "ILE " " CA " 6 0 1 1 60.79 4157 + 4158 2 23.331000 15.353000 5.191000 265 I A 2 "ILE " " C " 6 0 1 1 66.32 4158 + 4159 15 22.314000 16.008000 5.411000 265 I A 2 "ILE " " O " 8 0 1 1 70.07 4159 + 4160 3 25.483000 16.078000 6.356000 265 I A 2 "ILE " " CB " 6 0 1 1 58.41 4160 + 4161 3 26.241000 16.052000 7.707000 265 I A 2 "ILE " " CG1" 6 0 1 1 62.77 4161 + 4162 3 25.172000 17.530000 5.929000 265 I A 2 "ILE " " CG2" 6 0 1 1 48.24 4162 + 4163 3 25.659000 16.928000 8.826000 265 I A 2 "ILE " " CD1" 6 0 1 1 62.1 4163 + 4164 43 25.705000 13.524000 6.132000 265 I A 2 "ILE " " H " 1 0 1 1 63.55 4164 + 4165 41 23.721000 15.255000 7.280000 265 I A 2 "ILE " " HA " 1 0 1 1 60.79 4165 + 4166 41 26.185000 15.706000 5.609000 265 I A 2 "ILE " " HB " 1 0 1 1 58.41 4166 + 4167 41 27.264000 16.372000 7.519000 265 I A 2 "ILE " "HG13" 1 0 1 1 62.77 4167 + 4168 41 26.325000 15.033000 8.086000 265 I A 2 "ILE " "HG12" 1 0 1 1 62.77 4168 + 4169 41 26.057000 18.159000 6.025000 265 I A 2 "ILE " "HG21" 1 0 1 1 48.24 4169 + 4170 41 24.855000 17.593000 4.888000 265 I A 2 "ILE " "HG22" 1 0 1 1 48.24 4170 + 4171 41 24.387000 17.967000 6.544000 265 I A 2 "ILE " "HG23" 1 0 1 1 48.24 4171 + 4172 41 25.809000 16.465000 9.803000 265 I A 2 "ILE " "HD11" 1 0 1 1 62.1 4172 + 4173 41 26.148000 17.900000 8.847000 265 I A 2 "ILE " "HD12" 1 0 1 1 62.1 4173 + 4174 41 24.592000 17.100000 8.702000 265 I A 2 "ILE " "HD13" 1 0 1 1 62.1 4174 + 4175 25 23.631000 14.810000 3.994000 266 E A 2 "GLU " " N " 7 0 1 1 68.61 4175 + 4176 3 22.731000 14.874000 2.837000 266 E A 2 "GLU " " CA " 6 0 1 1 66.85 4176 + 4177 2 21.471000 14.007000 3.034000 266 E A 2 "GLU " " C " 6 0 1 1 61 4177 + 4178 15 20.405000 14.397000 2.559000 266 E A 2 "GLU " " O " 8 0 1 1 63.1 4178 + 4179 3 23.480000 14.494000 1.540000 266 E A 2 "GLU " " CB " 6 0 1 1 75.35 4179 + 4180 3 22.706000 14.857000 0.245000 266 E A 2 "GLU " " CG " 6 0 1 1 101.17 4180 + 4181 2 22.478000 13.673000 -0.697000 266 E A 2 "GLU " " CD " 6 0 1 1 111.76 4181 + 4182 15 23.492000 13.136000 -1.194000 266 E A 2 "GLU " " OE1" 8 0 1 1 121.16 4182 + 4183 18 21.295000 13.328000 -0.911000 266 E A 2 "GLU " " OE2" 8 -1 1 1 125.66 4183 + 4184 43 24.486000 14.283000 3.873000 266 E A 2 "GLU " " H " 1 0 1 1 68.61 4184 + 4185 41 22.408000 15.913000 2.740000 266 E A 2 "GLU " " HA " 1 0 1 1 66.85 4185 + 4186 41 23.726000 13.430000 1.565000 266 E A 2 "GLU " " HB3" 1 0 1 1 75.35 4186 + 4187 41 24.442000 15.007000 1.521000 266 E A 2 "GLU " " HB2" 1 0 1 1 75.35 4187 + 4188 41 23.267000 15.613000 -0.305000 266 E A 2 "GLU " " HG3" 1 0 1 1 101.17 4188 + 4189 41 21.746000 15.323000 0.469000 266 E A 2 "GLU " " HG2" 1 0 1 1 101.17 4189 + 4190 25 21.602000 12.882000 3.764000 267 A A 2 "ALA " " N " 7 0 1 1 52.95 4190 + 4191 3 20.494000 11.996000 4.124000 267 A A 2 "ALA " " CA " 6 0 1 1 55.58 4191 + 4192 2 19.419000 12.702000 4.965000 267 A A 2 "ALA " " C " 6 0 1 1 61.05 4192 + 4193 15 18.253000 12.618000 4.588000 267 A A 2 "ALA " " O " 8 0 1 1 72.02 4193 + 4194 3 21.007000 10.727000 4.821000 267 A A 2 "ALA " " CB " 6 0 1 1 60.4 4194 + 4195 43 22.516000 12.612000 4.100000 267 A A 2 "ALA " " H " 1 0 1 1 52.95 4195 + 4196 41 20.030000 11.686000 3.186000 267 A A 2 "ALA " " HA " 1 0 1 1 55.58 4196 + 4197 41 20.188000 10.036000 5.025000 267 A A 2 "ALA " " HB1" 1 0 1 1 60.4 4197 + 4198 41 21.728000 10.198000 4.198000 267 A A 2 "ALA " " HB2" 1 0 1 1 60.4 4198 + 4199 41 21.484000 10.950000 5.773000 267 A A 2 "ALA " " HB3" 1 0 1 1 60.4 4199 + 4200 25 19.828000 13.447000 6.013000 268 M A 2 "MET " " N " 7 0 1 1 63.67 4200 + 4201 3 18.952000 14.300000 6.834000 268 M A 2 "MET " " CA " 6 0 1 1 64.48 4201 + 4202 2 18.177000 15.374000 6.045000 268 M A 2 "MET " " C " 6 0 1 1 69.18 4202 + 4203 15 17.093000 15.761000 6.481000 268 M A 2 "MET " " O " 8 0 1 1 71.85 4203 + 4204 3 19.765000 15.025000 7.925000 268 M A 2 "MET " " CB " 6 0 1 1 62.58 4204 + 4205 3 20.300000 14.138000 9.052000 268 M A 2 "MET " " CG " 6 0 1 1 72.08 4205 + 4206 49 20.945000 15.056000 10.478000 268 M A 2 "MET " " SD " 16 0 1 1 73.52 4206 + 4207 3 22.384000 15.857000 9.727000 268 M A 2 "MET " " CE " 6 0 1 1 77.94 4207 + 4208 43 20.812000 13.471000 6.244000 268 M A 2 "MET " " H " 1 0 1 1 63.67 4208 + 4209 41 18.215000 13.657000 7.318000 268 M A 2 "MET " " HA " 1 0 1 1 64.48 4209 + 4210 41 19.143000 15.790000 8.392000 268 M A 2 "MET " " HB3" 1 0 1 1 62.58 4210 + 4211 41 20.586000 15.557000 7.448000 268 M A 2 "MET " " HB2" 1 0 1 1 62.58 4211 + 4212 41 21.069000 13.462000 8.692000 268 M A 2 "MET " " HG3" 1 0 1 1 72.08 4212 + 4213 41 19.487000 13.516000 9.415000 268 M A 2 "MET " " HG2" 1 0 1 1 72.08 4213 + 4214 41 22.770000 16.633000 10.383000 268 M A 2 "MET " " HE1" 1 0 1 1 77.94 4214 + 4215 41 23.170000 15.124000 9.550000 268 M A 2 "MET " " HE2" 1 0 1 1 77.94 4215 + 4216 41 22.130000 16.340000 8.786000 268 M A 2 "MET " " HE3" 1 0 1 1 77.94 4216 + 4217 25 18.755000 15.850000 4.930000 269 K A 2 "LYS " " N " 7 0 1 1 68.68 4217 + 4218 3 18.202000 16.919000 4.098000 269 K A 2 "LYS " " CA " 6 0 1 1 71.16 4218 + 4219 2 17.232000 16.430000 3.014000 269 K A 2 "LYS " " C " 6 0 1 1 75.46 4219 + 4220 15 16.451000 17.251000 2.532000 269 K A 2 "LYS " " O " 8 0 1 1 71.94 4220 + 4221 3 19.354000 17.689000 3.430000 269 K A 2 "LYS " " CB " 6 0 1 1 70.07 4221 + 4222 3 20.214000 18.498000 4.409000 269 K A 2 "LYS " " CG " 6 0 1 1 59.49 4222 + 4223 3 21.382000 19.171000 3.680000 269 K A 2 "LYS " " CD " 6 0 1 1 69.53 4223 + 4224 3 22.343000 19.883000 4.632000 269 K A 2 "LYS " " CE " 6 0 1 1 84.35 4224 + 4225 32 23.440000 20.533000 3.899000 269 K A 2 "LYS " " NZ " 7 1 1 1 99.48 4225 + 4226 43 19.645000 15.474000 4.634000 269 K A 2 "LYS " " H " 1 0 1 1 68.68 4226 + 4227 41 17.654000 17.616000 4.735000 269 K A 2 "LYS " " HA " 1 0 1 1 71.16 4227 + 4228 41 18.952000 18.386000 2.694000 269 K A 2 "LYS " " HB3" 1 0 1 1 70.07 4228 + 4229 41 19.983000 16.996000 2.870000 269 K A 2 "LYS " " HB2" 1 0 1 1 70.07 4229 + 4230 41 20.588000 17.858000 5.206000 269 K A 2 "LYS " " HG3" 1 0 1 1 59.49 4230 + 4231 41 19.600000 19.255000 4.898000 269 K A 2 "LYS " " HG2" 1 0 1 1 59.49 4231 + 4232 41 20.990000 19.885000 2.955000 269 K A 2 "LYS " " HD3" 1 0 1 1 69.53 4232 + 4233 41 21.931000 18.422000 3.106000 269 K A 2 "LYS " " HD2" 1 0 1 1 69.53 4233 + 4234 41 22.775000 19.163000 5.322000 269 K A 2 "LYS " " HE3" 1 0 1 1 84.35 4234 + 4235 41 21.817000 20.637000 5.217000 269 K A 2 "LYS " " HE2" 1 0 1 1 84.35 4235 + 4236 44 23.954000 19.838000 3.375000 269 K A 2 "LYS " " HZ1" 1 0 1 1 99.48 4236 + 4237 44 23.060000 21.219000 3.263000 269 K A 2 "LYS " " HZ2" 1 0 1 1 99.48 4237 + 4238 44 24.061000 20.988000 4.552000 269 K A 2 "LYS " " HZ3" 1 0 1 1 99.48 4238 + 4239 25 17.298000 15.141000 2.630000 270 S A 2 "SER " " N " 7 0 0 1 74.44 4239 + 4240 3 16.454000 14.557000 1.586000 270 S A 2 "SER " " CA " 6 0 0 1 83.94 4240 + 4241 2 14.970000 14.602000 1.993000 270 S A 2 "SER " " C " 6 0 0 1 86.01 4241 + 4242 15 14.643000 14.222000 3.117000 270 S A 2 "SER " " O " 8 0 0 1 80.08 4242 + 4243 3 16.937000 13.123000 1.279000 270 S A 2 "SER " " CB " 6 0 0 1 85.85 4243 + 4244 16 16.270000 12.579000 0.153000 270 S A 2 "SER " " OG " 8 0 0 1 93.78 4244 + 4245 43 17.960000 14.520000 3.075000 270 S A 2 "SER " " H " 1 0 0 1 74.44 4245 + 4246 41 16.590000 15.162000 0.686000 270 S A 2 "SER " " HA " 1 0 0 1 83.94 4246 + 4247 41 16.776000 12.468000 2.137000 270 S A 2 "SER " " HB3" 1 0 0 1 85.85 4247 + 4248 41 18.008000 13.118000 1.075000 270 S A 2 "SER " " HB2" 1 0 0 1 85.85 4248 + 4249 42 16.552000 13.060000 -0.629000 270 S A 2 "SER " " HG " 1 0 0 1 93.78 4249 + 4250 25 14.110000 15.075000 1.074000 271 D A 2 "ASP " " N " 7 0 0 1 85.8 4250 + 4251 3 12.657000 15.207000 1.267000 271 D A 2 "ASP " " CA " 6 0 0 1 81.24 4251 + 4252 2 11.920000 13.878000 1.507000 271 D A 2 "ASP " " C " 6 0 0 1 77.24 4252 + 4253 15 10.799000 13.905000 2.013000 271 D A 2 "ASP " " O " 8 0 0 1 86.29 4253 + 4254 3 11.969000 15.995000 0.130000 271 D A 2 "ASP " " CB " 6 0 0 1 93.19 4254 + 4255 2 12.603000 17.359000 -0.139000 271 D A 2 "ASP " " CG " 6 0 0 1 101.68 4255 + 4256 15 12.276000 18.294000 0.626000 271 D A 2 "ASP " " OD1" 8 0 0 1 99.96 4256 + 4257 18 13.390000 17.445000 -1.106000 271 D A 2 "ASP " " OD2" 8 -1 0 1 101.6 4257 + 4258 43 14.461000 15.400000 0.184000 271 D A 2 "ASP " " H " 1 0 0 1 85.8 4258 + 4259 41 12.525000 15.789000 2.182000 271 D A 2 "ASP " " HA " 1 0 0 1 81.24 4259 + 4260 41 10.909000 16.149000 0.337000 271 D A 2 "ASP " " HB3" 1 0 0 1 93.19 4260 + 4261 41 11.984000 15.419000 -0.796000 271 D A 2 "ASP " " HB2" 1 0 0 1 93.19 4261 + 4262 25 12.566000 12.749000 1.173000 272 I A 2 "ILE " " N " 7 0 0 1 68.06 4262 + 4263 3 12.103000 11.401000 1.477000 272 I A 2 "ILE " " CA " 6 0 0 1 65.59 4263 + 4264 2 12.315000 11.138000 2.983000 272 I A 2 "ILE " " C " 6 0 0 1 71.45 4264 + 4265 15 13.461000 11.045000 3.427000 272 I A 2 "ILE " " O " 8 0 0 1 74.94 4265 + 4266 3 12.888000 10.332000 0.657000 272 I A 2 "ILE " " CB " 6 0 0 1 62.49 4266 + 4267 3 12.868000 10.628000 -0.862000 272 I A 2 "ILE " " CG1" 6 0 0 1 54.31 4267 + 4268 3 12.368000 8.903000 0.928000 272 I A 2 "ILE " " CG2" 6 0 0 1 55.59 4268 + 4269 3 13.805000 9.729000 -1.683000 272 I A 2 "ILE " " CD1" 6 0 0 1 56.6 4269 + 4270 43 13.491000 12.816000 0.774000 272 I A 2 "ILE " " H " 1 0 0 1 68.06 4270 + 4271 41 11.041000 11.325000 1.233000 272 I A 2 "ILE " " HA " 1 0 0 1 65.59 4271 + 4272 41 13.934000 10.365000 0.968000 272 I A 2 "ILE " " HB " 1 0 0 1 62.49 4272 + 4273 41 13.156000 11.661000 -1.059000 272 I A 2 "ILE " "HG13" 1 0 0 1 54.31 4273 + 4274 41 11.849000 10.528000 -1.237000 272 I A 2 "ILE " "HG12" 1 0 0 1 54.31 4274 + 4275 41 12.937000 8.158000 0.376000 272 I A 2 "ILE " "HG21" 1 0 0 1 55.59 4275 + 4276 41 12.446000 8.632000 1.979000 272 I A 2 "ILE " "HG22" 1 0 0 1 55.59 4276 + 4277 41 11.321000 8.799000 0.639000 272 I A 2 "ILE " "HG23" 1 0 0 1 55.59 4277 + 4278 41 14.130000 10.234000 -2.594000 272 I A 2 "ILE " "HD11" 1 0 0 1 56.6 4278 + 4279 41 14.699000 9.457000 -1.122000 272 I A 2 "ILE " "HD12" 1 0 0 1 56.6 4279 + 4280 41 13.303000 8.808000 -1.979000 272 I A 2 "ILE " "HD13" 1 0 0 1 56.6 4280 + 4281 25 11.204000 11.046000 3.735000 273 D A 2 "ASP " " N " 7 0 1 1 73.11 4281 + 4282 3 11.172000 10.848000 5.193000 273 D A 2 "ASP " " CA " 6 0 1 1 78.47 4282 + 4283 2 11.921000 9.596000 5.672000 273 D A 2 "ASP " " C " 6 0 1 1 79.45 4283 + 4284 15 12.600000 9.661000 6.693000 273 D A 2 "ASP " " O " 8 0 1 1 82.79 4284 + 4285 3 9.745000 10.824000 5.794000 273 D A 2 "ASP " " CB " 6 0 1 1 86.7 4285 + 4286 2 8.885000 12.074000 5.569000 273 D A 2 "ASP " " CG " 6 0 1 1 94.94 4286 + 4287 15 9.250000 12.920000 4.724000 273 D A 2 "ASP " " OD1" 8 0 1 1 100.19 4287 + 4288 18 7.848000 12.154000 6.262000 273 D A 2 "ASP " " OD2" 8 -1 1 1 94.53 4288 + 4289 43 10.304000 11.202000 3.304000 273 D A 2 "ASP " " H " 1 0 1 1 73.11 4289 + 4290 41 11.689000 11.708000 5.619000 273 D A 2 "ASP " " HA " 1 0 1 1 78.47 4290 + 4291 41 9.827000 10.663000 6.868000 273 D A 2 "ASP " " HB3" 1 0 1 1 86.7 4291 + 4292 41 9.199000 9.975000 5.380000 273 D A 2 "ASP " " HB2" 1 0 1 1 86.7 4292 + 4293 25 11.800000 8.503000 4.902000 274 E A 2 "GLU " " N " 7 0 1 1 85.49 4293 + 4294 3 12.445000 7.202000 5.096000 274 E A 2 "GLU " " CA " 6 0 1 1 82.89 4294 + 4295 2 13.981000 7.305000 5.183000 274 E A 2 "GLU " " C " 6 0 1 1 69.86 4295 + 4296 15 14.596000 6.604000 5.986000 274 E A 2 "GLU " " O " 8 0 1 1 59.99 4296 + 4297 3 12.055000 6.287000 3.913000 274 E A 2 "GLU " " CB " 6 0 1 1 99.1 4297 + 4298 3 10.539000 6.201000 3.619000 274 E A 2 "GLU " " CG " 6 0 1 1 120.74 4298 + 4299 2 10.256000 5.572000 2.255000 274 E A 2 "GLU " " CD " 6 0 1 1 132.09 4299 + 4300 15 10.781000 4.465000 2.008000 274 E A 2 "GLU " " OE1" 8 0 1 1 138.33 4300 + 4301 18 9.533000 6.226000 1.471000 274 E A 2 "GLU " " OE2" 8 -1 1 1 132.31 4301 + 4302 43 11.213000 8.567000 4.082000 274 E A 2 "GLU " " H " 1 0 1 1 85.49 4302 + 4303 41 12.067000 6.774000 6.026000 274 E A 2 "GLU " " HA " 1 0 1 1 82.89 4303 + 4304 41 12.420000 5.280000 4.122000 274 E A 2 "GLU " " HB3" 1 0 1 1 99.1 4304 + 4305 41 12.583000 6.602000 3.012000 274 E A 2 "GLU " " HB2" 1 0 1 1 99.1 4305 + 4306 41 10.071000 7.185000 3.625000 274 E A 2 "GLU " " HG3" 1 0 1 1 120.74 4306 + 4307 41 10.039000 5.618000 4.393000 274 E A 2 "GLU " " HG2" 1 0 1 1 120.74 4307 + 4308 25 14.551000 8.200000 4.358000 275 V A 2 "VAL " " N " 7 0 1 1 62.59 4308 + 4309 3 15.975000 8.507000 4.279000 275 V A 2 "VAL " " CA " 6 0 1 1 57.86 4309 + 4310 2 16.392000 9.503000 5.379000 275 V A 2 "VAL " " C " 6 0 1 1 60.23 4310 + 4311 15 17.423000 9.281000 6.014000 275 V A 2 "VAL " " O " 8 0 1 1 62.84 4311 + 4312 3 16.329000 9.122000 2.892000 275 V A 2 "VAL " " CB " 6 0 1 1 56.32 4312 + 4313 3 17.800000 9.557000 2.747000 275 V A 2 "VAL " " CG1" 6 0 1 1 50.73 4313 + 4314 3 15.959000 8.164000 1.745000 275 V A 2 "VAL " " CG2" 6 0 1 1 56.53 4314 + 4315 43 13.955000 8.750000 3.755000 275 V A 2 "VAL " " H " 1 0 1 1 62.59 4315 + 4316 41 16.546000 7.586000 4.412000 275 V A 2 "VAL " " HA " 1 0 1 1 57.86 4316 + 4317 41 15.729000 10.021000 2.754000 275 V A 2 "VAL " " HB " 1 0 1 1 56.32 4317 + 4318 41 17.978000 10.003000 1.771000 275 V A 2 "VAL " "HG11" 1 0 1 1 50.73 4318 + 4319 41 18.085000 10.308000 3.478000 275 V A 2 "VAL " "HG12" 1 0 1 1 50.73 4319 + 4320 41 18.475000 8.711000 2.862000 275 V A 2 "VAL " "HG13" 1 0 1 1 50.73 4320 + 4321 41 16.143000 8.624000 0.775000 275 V A 2 "VAL " "HG21" 1 0 1 1 56.53 4321 + 4322 41 16.538000 7.242000 1.799000 275 V A 2 "VAL " "HG22" 1 0 1 1 56.53 4322 + 4323 41 14.906000 7.887000 1.769000 275 V A 2 "VAL " "HG23" 1 0 1 1 56.53 4323 + 4324 25 15.583000 10.562000 5.588000 276 A A 2 "ALA " " N " 7 0 1 1 50.95 4324 + 4325 3 15.801000 11.614000 6.586000 276 A A 2 "ALA " " CA " 6 0 1 1 49.06 4325 + 4326 2 15.851000 11.096000 8.025000 276 A A 2 "ALA " " C " 6 0 1 1 45.21 4326 + 4327 15 16.770000 11.464000 8.754000 276 A A 2 "ALA " " O " 8 0 1 1 54.76 4327 + 4328 3 14.744000 12.714000 6.433000 276 A A 2 "ALA " " CB " 6 0 1 1 54.2 4328 + 4329 43 14.760000 10.671000 5.010000 276 A A 2 "ALA " " H " 1 0 1 1 50.95 4329 + 4330 41 16.770000 12.060000 6.392000 276 A A 2 "ALA " " HA " 1 0 1 1 49.06 4330 + 4331 41 14.923000 13.535000 7.129000 276 A A 2 "ALA " " HB1" 1 0 1 1 54.2 4331 + 4332 41 14.762000 13.132000 5.428000 276 A A 2 "ALA " " HB2" 1 0 1 1 54.2 4332 + 4333 41 13.739000 12.334000 6.618000 276 A A 2 "ALA " " HB3" 1 0 1 1 54.2 4333 + 4334 25 14.916000 10.193000 8.367000 277 L A 2 "LEU " " N " 7 0 1 1 41.89 4334 + 4335 3 14.879000 9.438000 9.620000 277 L A 2 "LEU " " CA " 6 0 1 1 54.83 4335 + 4336 2 16.165000 8.645000 9.888000 277 L A 2 "LEU " " C " 6 0 1 1 54.83 4336 + 4337 15 16.572000 8.575000 11.044000 277 L A 2 "LEU " " O " 8 0 1 1 47.07 4337 + 4338 3 13.670000 8.473000 9.606000 277 L A 2 "LEU " " CB " 6 0 1 1 60.53 4338 + 4339 3 12.340000 9.134000 10.021000 277 L A 2 "LEU " " CG " 6 0 1 1 70.53 4339 + 4340 3 11.138000 8.230000 9.685000 277 L A 2 "LEU " " CD1" 6 0 1 1 80.72 4340 + 4341 3 12.351000 9.545000 11.506000 277 L A 2 "LEU " " CD2" 6 0 1 1 69.32 4341 + 4342 43 14.195000 9.959000 7.695000 277 L A 2 "LEU " " H " 1 0 1 1 41.89 4342 + 4343 41 14.771000 10.156000 10.434000 277 L A 2 "LEU " " HA " 1 0 1 1 54.83 4343 + 4344 41 13.842000 7.630000 10.279000 277 L A 2 "LEU " " HB3" 1 0 1 1 60.53 4344 + 4345 41 13.584000 8.029000 8.613000 277 L A 2 "LEU " " HB2" 1 0 1 1 60.53 4345 + 4346 41 12.222000 10.041000 9.428000 277 L A 2 "LEU " " HG " 1 0 1 1 70.53 4346 + 4347 41 10.361000 8.798000 9.172000 277 L A 2 "LEU " "HD11" 1 0 1 1 80.72 4347 + 4348 41 11.414000 7.403000 9.030000 277 L A 2 "LEU " "HD12" 1 0 1 1 80.72 4348 + 4349 41 10.687000 7.788000 10.574000 277 L A 2 "LEU " "HD13" 1 0 1 1 80.72 4349 + 4350 41 11.395000 9.366000 11.997000 277 L A 2 "LEU " "HD21" 1 0 1 1 69.32 4350 + 4351 41 13.118000 9.019000 12.075000 277 L A 2 "LEU " "HD22" 1 0 1 1 69.32 4351 + 4352 41 12.555000 10.609000 11.601000 277 L A 2 "LEU " "HD23" 1 0 1 1 69.32 4352 + 4353 25 16.780000 8.088000 8.830000 278 Q A 2 "GLN " " N " 7 0 1 1 48.81 4353 + 4354 3 17.986000 7.269000 8.921000 278 Q A 2 "GLN " " CA " 6 0 1 1 44.46 4354 + 4355 2 19.264000 8.108000 9.101000 278 Q A 2 "GLN " " C " 6 0 1 1 49.13 4355 + 4356 15 20.181000 7.654000 9.786000 278 Q A 2 "GLN " " O " 8 0 1 1 48.05 4356 + 4357 3 18.073000 6.359000 7.672000 278 Q A 2 "GLN " " CB " 6 0 1 1 41.09 4357 + 4358 3 18.549000 4.925000 7.977000 278 Q A 2 "GLN " " CG " 6 0 1 1 57.27 4358 + 4359 2 17.653000 4.194000 8.979000 278 Q A 2 "GLN " " CD " 6 0 1 1 53.96 4359 + 4360 15 18.138000 3.675000 9.981000 278 Q A 2 "GLN " " OE1" 8 0 1 1 49.77 4360 + 4361 25 16.343000 4.159000 8.722000 278 Q A 2 "GLN " " NE2" 7 0 1 1 58.64 4361 + 4362 43 16.394000 8.217000 7.905000 278 Q A 2 "GLN " " H " 1 0 1 1 48.81 4362 + 4363 41 17.883000 6.659000 9.816000 278 Q A 2 "GLN " " HA " 1 0 1 1 44.46 4363 + 4364 41 18.728000 6.803000 6.923000 278 Q A 2 "GLN " " HB3" 1 0 1 1 41.09 4364 + 4365 41 17.100000 6.300000 7.180000 278 Q A 2 "GLN " " HB2" 1 0 1 1 41.09 4365 + 4366 41 19.567000 4.949000 8.367000 278 Q A 2 "GLN " " HG3" 1 0 1 1 57.27 4366 + 4367 41 18.578000 4.340000 7.059000 278 Q A 2 "GLN " " HG2" 1 0 1 1 57.27 4367 + 4368 43 15.717000 3.696000 9.365000 278 Q A 2 "GLN " "HE22" 1 0 1 1 58.64 4368 + 4369 43 15.969000 4.603000 7.896000 278 Q A 2 "GLN " "HE21" 1 0 1 1 58.64 4369 + 4370 25 19.285000 9.325000 8.527000 279 G A 2 "GLY " " N " 7 0 1 1 46.05 4370 + 4371 3 20.359000 10.298000 8.718000 279 G A 2 "GLY " " CA " 6 0 1 1 52.76 4371 + 4372 2 20.321000 10.871000 10.143000 279 G A 2 "GLY " " C " 6 0 1 1 60.5 4372 + 4373 15 21.376000 11.045000 10.748000 279 G A 2 "GLY " " O " 8 0 1 1 65.38 4373 + 4374 43 18.494000 9.617000 7.969000 279 G A 2 "GLY " " H " 1 0 1 1 46.05 4374 + 4375 41 20.227000 11.111000 8.004000 279 G A 2 "GLY " " HA3" 1 0 1 1 52.76 4375 + 4376 41 21.330000 9.843000 8.514000 279 G A 2 "GLY " " HA2" 1 0 1 1 52.76 4376 + 4377 25 19.117000 11.134000 10.686000 280 I A 2 "ILE " " N " 7 0 1 1 57.77 4377 + 4378 3 18.900000 11.619000 12.054000 280 I A 2 "ILE " " CA " 6 0 1 1 57.9 4378 + 4379 2 19.267000 10.547000 13.104000 280 I A 2 "ILE " " C " 6 0 1 1 63.18 4379 + 4380 15 19.967000 10.864000 14.067000 280 I A 2 "ILE " " O " 8 0 1 1 67.24 4380 + 4381 3 17.425000 12.086000 12.275000 280 I A 2 "ILE " " CB " 6 0 1 1 54.72 4381 + 4382 3 17.082000 13.321000 11.408000 280 I A 2 "ILE " " CG1" 6 0 1 1 63.54 4382 + 4383 3 17.067000 12.394000 13.744000 280 I A 2 "ILE " " CG2" 6 0 1 1 46.87 4383 + 4384 3 15.573000 13.574000 11.253000 280 I A 2 "ILE " " CD1" 6 0 1 1 61.22 4384 + 4385 43 18.284000 10.985000 10.133000 280 I A 2 "ILE " " H " 1 0 1 1 57.77 4385 + 4386 41 19.557000 12.477000 12.213000 280 I A 2 "ILE " " HA " 1 0 1 1 57.9 4386 + 4387 41 16.777000 11.271000 11.947000 280 I A 2 "ILE " " HB " 1 0 1 1 54.72 4387 + 4388 41 17.504000 13.225000 10.412000 280 I A 2 "ILE " "HG13" 1 0 1 1 63.54 4388 + 4389 41 17.555000 14.207000 11.833000 280 I A 2 "ILE " "HG12" 1 0 1 1 63.54 4389 + 4390 41 16.048000 12.764000 13.829000 280 I A 2 "ILE " "HG21" 1 0 1 1 46.87 4390 + 4391 41 17.126000 11.519000 14.391000 280 I A 2 "ILE " "HG22" 1 0 1 1 46.87 4391 + 4392 41 17.728000 13.161000 14.146000 280 I A 2 "ILE " "HG23" 1 0 1 1 46.87 4392 + 4393 41 15.367000 14.153000 10.352000 280 I A 2 "ILE " "HD11" 1 0 1 1 61.22 4393 + 4394 41 15.011000 12.643000 11.177000 280 I A 2 "ILE " "HD12" 1 0 1 1 61.22 4394 + 4395 41 15.177000 14.135000 12.099000 280 I A 2 "ILE " "HD13" 1 0 1 1 61.22 4395 + 4396 25 18.828000 9.300000 12.857000 281 E A 2 "GLU " " N " 7 0 1 1 73.02 4396 + 4397 3 19.129000 8.082000 13.618000 281 E A 2 "GLU " " CA " 6 0 1 1 74.93 4397 + 4398 2 20.639000 7.815000 13.780000 281 E A 2 "GLU " " C " 6 0 1 1 67.65 4398 + 4399 15 21.053000 7.369000 14.850000 281 E A 2 "GLU " " O " 8 0 1 1 58.83 4399 + 4400 3 18.395000 6.909000 12.923000 281 E A 2 "GLU " " CB " 6 0 1 1 92.27 4400 + 4401 3 18.708000 5.475000 13.380000 281 E A 2 "GLU " " CG " 6 0 1 1 113.49 4401 + 4402 2 18.192000 5.126000 14.773000 281 E A 2 "GLU " " CD " 6 0 1 1 125.25 4402 + 4403 15 16.955000 5.171000 14.947000 281 E A 2 "GLU " " OE1" 8 0 1 1 133.06 4403 + 4404 18 19.038000 4.780000 15.624000 281 E A 2 "GLU " " OE2" 8 -1 1 1 131.87 4404 + 4405 43 18.238000 9.153000 12.048000 281 E A 2 "GLU " " H " 1 0 1 1 73.02 4405 + 4406 41 18.708000 8.202000 14.617000 281 E A 2 "GLU " " HA " 1 0 1 1 74.93 4406 + 4407 41 18.616000 6.955000 11.860000 281 E A 2 "GLU " " HB3" 1 0 1 1 92.27 4407 + 4408 41 17.320000 7.067000 13.008000 281 E A 2 "GLU " " HB2" 1 0 1 1 92.27 4408 + 4409 41 19.779000 5.309000 13.338000 281 E A 2 "GLU " " HG3" 1 0 1 1 113.49 4409 + 4410 41 18.262000 4.770000 12.678000 281 E A 2 "GLU " " HG2" 1 0 1 1 113.49 4410 + 4411 25 21.430000 8.115000 12.732000 282 F A 2 "PHE " " N " 7 0 1 1 63.31 4411 + 4412 3 22.888000 7.980000 12.723000 282 F A 2 "PHE " " CA " 6 0 1 1 60.31 4412 + 4413 2 23.563000 8.827000 13.810000 282 F A 2 "PHE " " C " 6 0 1 1 57.48 4413 + 4414 15 24.290000 8.272000 14.630000 282 F A 2 "PHE " " O " 8 0 1 1 46.44 4414 + 4415 3 23.437000 8.271000 11.308000 282 F A 2 "PHE " " CB " 6 0 1 1 57.34 4415 + 4416 2 24.947000 8.193000 11.154000 282 F A 2 "PHE " " CG " 6 0 1 1 55.11 4416 + 4417 2 25.561000 6.961000 10.849000 282 F A 2 "PHE " " CD1" 6 0 1 1 56.67 4417 + 4418 2 25.761000 9.306000 11.461000 282 F A 2 "PHE " " CD2" 6 0 1 1 57.6 4418 + 4419 2 26.946000 6.877000 10.771000 282 F A 2 "PHE " " CE1" 6 0 1 1 59.5 4419 + 4420 2 27.142000 9.198000 11.397000 282 F A 2 "PHE " " CE2" 6 0 1 1 65.5 4420 + 4421 2 27.731000 7.992000 11.036000 282 F A 2 "PHE " " CZ " 6 0 1 1 50.77 4421 + 4422 43 21.010000 8.468000 11.883000 282 F A 2 "PHE " " H " 1 0 1 1 63.31 4422 + 4423 41 23.120000 6.940000 12.956000 282 F A 2 "PHE " " HA " 1 0 1 1 60.31 4423 + 4424 41 23.121000 9.259000 10.979000 282 F A 2 "PHE " " HB3" 1 0 1 1 57.34 4424 + 4425 41 22.992000 7.570000 10.600000 282 F A 2 "PHE " " HB2" 1 0 1 1 57.34 4425 + 4426 41 24.959000 6.085000 10.657000 282 F A 2 "PHE " " HD1" 1 0 1 1 56.67 4426 + 4427 41 25.313000 10.247000 11.742000 282 F A 2 "PHE " " HD2" 1 0 1 1 57.6 4427 + 4428 41 27.415000 5.939000 10.513000 282 F A 2 "PHE " " HE1" 1 0 1 1 59.5 4428 + 4429 41 27.757000 10.054000 11.630000 282 F A 2 "PHE " " HE2" 1 0 1 1 65.5 4429 + 4430 41 28.807000 7.917000 10.983000 282 F A 2 "PHE " " HZ " 1 0 1 1 50.77 4430 + 4431 25 23.280000 10.140000 13.809000 283 W A 2 "TRP " " N " 7 0 1 1 49.39 4431 + 4432 3 23.814000 11.097000 14.780000 283 W A 2 "TRP " " CA " 6 0 1 1 54.71 4432 + 4433 2 23.253000 10.942000 16.198000 283 W A 2 "TRP " " C " 6 0 1 1 63.66 4433 + 4434 15 23.962000 11.274000 17.147000 283 W A 2 "TRP " " O " 8 0 1 1 69.04 4434 + 4435 3 23.626000 12.526000 14.257000 283 W A 2 "TRP " " CB " 6 0 1 1 49.29 4435 + 4436 2 24.486000 12.836000 13.074000 283 W A 2 "TRP " " CG " 6 0 1 1 52.28 4436 + 4437 2 24.096000 12.857000 11.780000 283 W A 2 "TRP " " CD1" 6 0 1 1 53.07 4437 + 4438 2 25.921000 13.087000 13.068000 283 W A 2 "TRP " " CD2" 6 0 1 1 55.11 4438 + 4439 25 25.189000 13.102000 10.976000 283 W A 2 "TRP " " NE1" 7 0 1 1 44.99 4439 + 4440 2 26.343000 13.254000 11.716000 283 W A 2 "TRP " " CE2" 6 0 1 1 55.63 4440 + 4441 2 26.913000 13.182000 14.072000 283 W A 2 "TRP " " CE3" 6 0 1 1 55.51 4441 + 4442 2 27.682000 13.500000 11.374000 283 W A 2 "TRP " " CZ2" 6 0 1 1 57.45 4442 + 4443 2 28.258000 13.434000 13.742000 283 W A 2 "TRP " " CZ3" 6 0 1 1 58.5 4443 + 4444 2 28.644000 13.594000 12.398000 283 W A 2 "TRP " " CH2" 6 0 1 1 50.8 4444 + 4445 43 22.658000 10.515000 13.108000 283 W A 2 "TRP " " H " 1 0 1 1 49.39 4445 + 4446 41 24.887000 10.916000 14.864000 283 W A 2 "TRP " " HA " 1 0 1 1 54.71 4446 + 4447 41 23.886000 13.247000 15.033000 283 W A 2 "TRP " " HB3" 1 0 1 1 49.29 4447 + 4448 41 22.580000 12.712000 14.007000 283 W A 2 "TRP " " HB2" 1 0 1 1 49.29 4448 + 4449 41 23.084000 12.701000 11.443000 283 W A 2 "TRP " " HD1" 1 0 1 1 53.07 4449 + 4450 43 25.134000 13.126000 9.966000 283 W A 2 "TRP " " HE1" 1 0 1 1 44.99 4450 + 4451 41 26.634000 13.060000 15.109000 283 W A 2 "TRP " " HE3" 1 0 1 1 55.51 4451 + 4452 41 27.964000 13.611000 10.338000 283 W A 2 "TRP " " HZ2" 1 0 1 1 57.45 4452 + 4453 41 28.995000 13.501000 14.526000 283 W A 2 "TRP " " HZ3" 1 0 1 1 58.5 4453 + 4454 41 29.679000 13.787000 12.159000 283 W A 2 "TRP " " HH2" 1 0 1 1 50.8 4454 + 4455 25 22.035000 10.392000 16.325000 284 S A 2 "SER " " N " 7 0 1 1 68.63 4455 + 4456 3 21.447000 10.004000 17.607000 284 S A 2 "SER " " CA " 6 0 1 1 66.58 4456 + 4457 2 22.235000 8.861000 18.278000 284 S A 2 "SER " " C " 6 0 1 1 66.65 4457 + 4458 15 22.414000 8.908000 19.494000 284 S A 2 "SER " " O " 8 0 1 1 72.17 4458 + 4459 3 19.966000 9.635000 17.410000 284 S A 2 "SER " " CB " 6 0 1 1 68.09 4459 + 4460 16 19.213000 10.783000 17.072000 284 S A 2 "SER " " OG " 8 0 1 1 84.72 4460 + 4461 43 21.507000 10.153000 15.497000 284 S A 2 "SER " " H " 1 0 1 1 68.63 4461 + 4462 41 21.497000 10.866000 18.277000 284 S A 2 "SER " " HA " 1 0 1 1 66.58 4462 + 4463 41 19.550000 9.220000 18.329000 284 S A 2 "SER " " HB3" 1 0 1 1 68.09 4463 + 4464 41 19.841000 8.876000 16.639000 284 S A 2 "SER " " HB2" 1 0 1 1 68.09 4464 + 4465 42 19.466000 11.061000 16.186000 284 S A 2 "SER " " HG " 1 0 1 1 84.72 4465 + 4466 25 22.755000 7.911000 17.473000 285 N A 2 "ASN " " N " 7 0 1 1 60.38 4466 + 4467 3 23.672000 6.855000 17.920000 285 N A 2 "ASN " " CA " 6 0 1 1 58.54 4467 + 4468 2 25.085000 7.381000 18.209000 285 N A 2 "ASN " " C " 6 0 1 1 66.25 4468 + 4469 15 25.685000 6.883000 19.158000 285 N A 2 "ASN " " O " 8 0 1 1 66.16 4469 + 4470 3 23.727000 5.697000 16.893000 285 N A 2 "ASN " " CB " 6 0 1 1 59.42 4470 + 4471 2 22.507000 4.773000 16.907000 285 N A 2 "ASN " " CG " 6 0 1 1 67.31 4471 + 4472 15 21.523000 5.017000 17.602000 285 N A 2 "ASN " " OD1" 8 0 1 1 71.63 4472 + 4473 25 22.577000 3.682000 16.143000 285 N A 2 "ASN " " ND2" 7 0 1 1 67.71 4473 + 4474 43 22.552000 7.931000 16.483000 285 N A 2 "ASN " " H " 1 0 1 1 60.38 4474 + 4475 41 23.247000 6.473000 18.852000 285 N A 2 "ASN " " HA " 1 0 1 1 58.54 4475 + 4476 41 24.583000 5.058000 17.121000 285 N A 2 "ASN " " HB3" 1 0 1 1 59.42 4476 + 4477 41 23.891000 6.070000 15.883000 285 N A 2 "ASN " " HB2" 1 0 1 1 59.42 4477 + 4478 43 21.787000 3.054000 16.110000 285 N A 2 "ASN " "HD22" 1 0 1 1 67.71 4478 + 4479 43 23.388000 3.498000 15.570000 285 N A 2 "ASN " "HD21" 1 0 1 1 67.71 4479 + 4480 25 25.589000 8.376000 17.448000 286 V A 2 "VAL " " N " 7 0 1 1 65.03 4480 + 4481 3 26.873000 9.035000 17.739000 286 V A 2 "VAL " " CA " 6 0 1 1 49.52 4481 + 4482 2 26.855000 9.719000 19.123000 286 V A 2 "VAL " " C " 6 0 1 1 52.14 4482 + 4483 15 27.831000 9.585000 19.857000 286 V A 2 "VAL " " O " 8 0 1 1 61.01 4483 + 4484 3 27.290000 10.094000 16.671000 286 V A 2 "VAL " " CB " 6 0 1 1 46.18 4484 + 4485 3 28.564000 10.894000 17.020000 286 V A 2 "VAL " " CG1" 6 0 1 1 48.59 4485 + 4486 3 27.504000 9.464000 15.288000 286 V A 2 "VAL " " CG2" 6 0 1 1 57.06 4486 + 4487 43 25.055000 8.735000 16.668000 286 V A 2 "VAL " " H " 1 0 1 1 65.03 4487 + 4488 41 27.639000 8.257000 17.762000 286 V A 2 "VAL " " HA " 1 0 1 1 49.52 4488 + 4489 41 26.480000 10.816000 16.576000 286 V A 2 "VAL " " HB " 1 0 1 1 46.18 4489 + 4490 41 28.815000 11.579000 16.212000 286 V A 2 "VAL " "HG11" 1 0 1 1 48.59 4490 + 4491 41 28.452000 11.503000 17.914000 286 V A 2 "VAL " "HG12" 1 0 1 1 48.59 4491 + 4492 41 29.417000 10.233000 17.176000 286 V A 2 "VAL " "HG13" 1 0 1 1 48.59 4492 + 4493 41 27.705000 10.222000 14.530000 286 V A 2 "VAL " "HG21" 1 0 1 1 57.06 4493 + 4494 41 28.353000 8.783000 15.307000 286 V A 2 "VAL " "HG22" 1 0 1 1 57.06 4494 + 4495 41 26.638000 8.900000 14.955000 286 V A 2 "VAL " "HG23" 1 0 1 1 57.06 4495 + 4496 25 25.728000 10.371000 19.470000 287 C A 2 "CYS " " N " 7 0 1 1 53.81 4496 + 4497 3 25.477000 10.969000 20.783000 287 C A 2 "CYS " " CA " 6 0 1 1 60.13 4497 + 4498 2 25.517000 9.932000 21.913000 287 C A 2 "CYS " " C " 6 0 1 1 68.41 4498 + 4499 15 26.280000 10.138000 22.852000 287 C A 2 "CYS " " O " 8 0 1 1 81.97 4499 + 4500 3 24.152000 11.751000 20.850000 287 C A 2 "CYS " " CB " 6 0 1 1 54.64 4500 + 4501 49 24.307000 13.296000 19.928000 287 C A 2 "CYS " " SG " 16 0 1 1 72.49 4501 + 4502 43 24.973000 10.442000 18.801000 287 C A 2 "CYS " " H " 1 0 1 1 53.81 4502 + 4503 41 26.293000 11.670000 20.970000 287 C A 2 "CYS " " HA " 1 0 1 1 60.13 4503 + 4504 41 23.894000 12.007000 21.879000 287 C A 2 "CYS " " HB3" 1 0 1 1 54.64 4504 + 4505 41 23.322000 11.172000 20.448000 287 C A 2 "CYS " " HB2" 1 0 1 1 54.64 4505 + 4506 41 25.212000 13.848000 20.742000 287 C A 2 "CYS " " HG " 1 0 1 1 72.49 4506 + 4507 25 24.750000 8.832000 21.784000 288 D A 2 "ASP " " N " 7 0 1 1 71.62 4507 + 4508 3 24.747000 7.700000 22.725000 288 D A 2 "ASP " " CA " 6 0 1 1 70.08 4508 + 4509 2 26.148000 7.129000 22.998000 288 D A 2 "ASP " " C " 6 0 1 1 71.44 4509 + 4510 15 26.514000 7.003000 24.165000 288 D A 2 "ASP " " O " 8 0 1 1 77.82 4510 + 4511 3 23.767000 6.567000 22.335000 288 D A 2 "ASP " " CB " 6 0 1 1 79.4 4511 + 4512 2 22.303000 7.002000 22.220000 288 D A 2 "ASP " " CG " 6 0 1 1 85.52 4512 + 4513 15 21.866000 7.783000 23.093000 288 D A 2 "ASP " " OD1" 8 0 1 1 83.9 4513 + 4514 18 21.616000 6.465000 21.324000 288 D A 2 "ASP " " OD2" 8 -1 1 1 85.91 4514 + 4515 43 24.144000 8.737000 20.980000 288 D A 2 "ASP " " H " 1 0 1 1 71.62 4515 + 4516 41 24.403000 8.108000 23.678000 288 D A 2 "ASP " " HA " 1 0 1 1 70.08 4516 + 4517 41 23.823000 5.742000 23.046000 288 D A 2 "ASP " " HB3" 1 0 1 1 79.4 4517 + 4518 41 24.075000 6.166000 21.367000 288 D A 2 "ASP " " HB2" 1 0 1 1 79.4 4518 + 4519 25 26.922000 6.879000 21.927000 289 E A 2 "GLU " " N " 7 0 1 1 69.25 4519 + 4520 3 28.316000 6.438000 21.993000 289 E A 2 "GLU " " CA " 6 0 1 1 65.32 4520 + 4521 2 29.238000 7.426000 22.726000 289 E A 2 "GLU " " C " 6 0 1 1 58.64 4521 + 4522 15 29.937000 7.007000 23.645000 289 E A 2 "GLU " " O " 8 0 1 1 57.97 4522 + 4523 3 28.852000 6.146000 20.573000 289 E A 2 "GLU " " CB " 6 0 1 1 70.54 4523 + 4524 3 28.240000 4.910000 19.882000 289 E A 2 "GLU " " CG " 6 0 1 1 87.26 4524 + 4525 2 28.560000 3.600000 20.598000 289 E A 2 "GLU " " CD " 6 0 1 1 97.05 4525 + 4526 15 29.765000 3.351000 20.825000 289 E A 2 "GLU " " OE1" 8 0 1 1 96.27 4526 + 4527 18 27.591000 2.871000 20.901000 289 E A 2 "GLU " " OE2" 8 -1 1 1 104.4 4527 + 4528 43 26.541000 7.013000 20.999000 289 E A 2 "GLU " " H " 1 0 1 1 69.25 4528 + 4529 41 28.334000 5.514000 22.574000 289 E A 2 "GLU " " HA " 1 0 1 1 65.32 4529 + 4530 41 29.936000 6.026000 20.612000 289 E A 2 "GLU " " HB3" 1 0 1 1 70.54 4530 + 4531 41 28.683000 7.013000 19.934000 289 E A 2 "GLU " " HB2" 1 0 1 1 70.54 4531 + 4532 41 28.612000 4.838000 18.860000 289 E A 2 "GLU " " HG3" 1 0 1 1 87.26 4532 + 4533 41 27.160000 5.006000 19.808000 289 E A 2 "GLU " " HG2" 1 0 1 1 87.26 4533 + 4534 25 29.214000 8.709000 22.330000 290 E A 2 "GLU " " N " 7 0 1 1 56.84 4534 + 4535 3 30.077000 9.759000 22.882000 290 E A 2 "GLU " " CA " 6 0 1 1 60.2 4535 + 4536 2 29.760000 10.170000 24.329000 290 E A 2 "GLU " " C " 6 0 1 1 63.8 4536 + 4537 15 30.677000 10.612000 25.021000 290 E A 2 "GLU " " O " 8 0 1 1 62.4 4537 + 4538 3 30.121000 10.964000 21.927000 290 E A 2 "GLU " " CB " 6 0 1 1 42.36 4538 + 4539 3 30.864000 10.593000 20.632000 290 E A 2 "GLU " " CG " 6 0 1 1 46.25 4539 + 4540 2 31.037000 11.726000 19.628000 290 E A 2 "GLU " " CD " 6 0 1 1 53.99 4540 + 4541 15 30.435000 12.806000 19.804000 290 E A 2 "GLU " " OE1" 8 0 1 1 49.09 4541 + 4542 18 31.801000 11.477000 18.672000 290 E A 2 "GLU " " OE2" 8 -1 1 1 52.21 4542 + 4543 43 28.604000 8.987000 21.571000 290 E A 2 "GLU " " H " 1 0 1 1 56.84 4543 + 4544 41 31.087000 9.350000 22.916000 290 E A 2 "GLU " " HA " 1 0 1 1 60.2 4544 + 4545 41 30.619000 11.809000 22.406000 290 E A 2 "GLU " " HB3" 1 0 1 1 42.36 4545 + 4546 41 29.106000 11.294000 21.696000 290 E A 2 "GLU " " HB2" 1 0 1 1 42.36 4546 + 4547 41 30.360000 9.773000 20.125000 290 E A 2 "GLU " " HG3" 1 0 1 1 46.25 4547 + 4548 41 31.857000 10.224000 20.890000 290 E A 2 "GLU " " HG2" 1 0 1 1 46.25 4548 + 4549 25 28.509000 9.971000 24.776000 291 M A 2 "MET " " N " 7 0 1 1 68.33 4549 + 4550 3 28.101000 10.124000 26.173000 291 M A 2 "MET " " CA " 6 0 1 1 71.37 4550 + 4551 2 28.616000 8.973000 27.050000 291 M A 2 "MET " " C " 6 0 1 1 75.41 4551 + 4552 15 29.180000 9.249000 28.107000 291 M A 2 "MET " " O " 8 0 1 1 80.5 4552 + 4553 3 26.572000 10.242000 26.280000 291 M A 2 "MET " " CB " 6 0 1 1 70.71 4553 + 4554 3 26.030000 11.594000 25.794000 291 M A 2 "MET " " CG " 6 0 1 1 89.8 4554 + 4555 49 24.269000 11.884000 26.116000 291 M A 2 "MET " " SD " 16 0 1 1 94.7 4555 + 4556 3 23.507000 10.456000 25.305000 291 M A 2 "MET " " CE " 6 0 1 1 100.05 4556 + 4557 43 27.801000 9.629000 24.138000 291 M A 2 "MET " " H " 1 0 1 1 68.33 4557 + 4558 41 28.541000 11.045000 26.563000 291 M A 2 "MET " " HA " 1 0 1 1 71.37 4558 + 4559 41 26.258000 10.103000 27.316000 291 M A 2 "MET " " HB3" 1 0 1 1 70.71 4559 + 4560 41 26.114000 9.429000 25.716000 291 M A 2 "MET " " HB2" 1 0 1 1 70.71 4560 + 4561 41 26.217000 11.732000 24.733000 291 M A 2 "MET " " HG3" 1 0 1 1 89.8 4561 + 4562 41 26.577000 12.388000 26.300000 291 M A 2 "MET " " HG2" 1 0 1 1 89.8 4562 + 4563 41 22.428000 10.492000 25.440000 291 M A 2 "MET " " HE1" 1 0 1 1 100.05 4563 + 4564 41 23.725000 10.460000 24.238000 291 M A 2 "MET " " HE2" 1 0 1 1 100.05 4564 + 4565 41 23.860000 9.520000 25.736000 291 M A 2 "MET " " HE3" 1 0 1 1 100.05 4565 + 4566 25 28.455000 7.719000 26.587000 292 D A 2 "ASP " " N " 7 0 1 1 73.79 4566 + 4567 3 28.998000 6.518000 27.240000 292 D A 2 "ASP " " CA " 6 0 1 1 73.78 4567 + 4568 2 30.538000 6.503000 27.311000 292 D A 2 "ASP " " C " 6 0 1 1 75.46 4568 + 4569 15 31.079000 6.031000 28.310000 292 D A 2 "ASP " " O " 8 0 1 1 85.5 4569 + 4570 3 28.465000 5.195000 26.636000 292 D A 2 "ASP " " CB " 6 0 1 1 77.56 4570 + 4571 2 26.941000 5.029000 26.688000 292 D A 2 "ASP " " CG " 6 0 1 1 92.85 4571 + 4572 15 26.332000 5.526000 27.662000 292 D A 2 "ASP " " OD1" 8 0 1 1 101.96 4572 + 4573 18 26.418000 4.321000 25.800000 292 D A 2 "ASP " " OD2" 8 -1 1 1 100.57 4573 + 4574 43 27.961000 7.564000 25.718000 292 D A 2 "ASP " " H " 1 0 1 1 73.79 4574 + 4575 41 28.657000 6.556000 28.276000 292 D A 2 "ASP " " HA " 1 0 1 1 73.78 4575 + 4576 41 28.916000 4.337000 27.137000 292 D A 2 "ASP " " HB3" 1 0 1 1 77.56 4576 + 4577 41 28.770000 5.155000 25.589000 292 D A 2 "ASP " " HB2" 1 0 1 1 77.56 4577 + 4578 25 31.209000 7.061000 26.289000 293 L A 2 "LEU " " N " 7 0 1 1 76.42 4578 + 4579 3 32.660000 7.263000 26.252000 293 L A 2 "LEU " " CA " 6 0 1 1 63.61 4579 + 4580 2 33.137000 8.347000 27.229000 293 L A 2 "LEU " " C " 6 0 1 1 61.87 4580 + 4581 15 34.172000 8.151000 27.862000 293 L A 2 "LEU " " O " 8 0 1 1 60.84 4581 + 4582 3 33.100000 7.629000 24.822000 293 L A 2 "LEU " " CB " 6 0 1 1 61.17 4582 + 4583 3 33.158000 6.433000 23.854000 293 L A 2 "LEU " " CG " 6 0 1 1 47.82 4583 + 4584 3 33.182000 6.908000 22.389000 293 L A 2 "LEU " " CD1" 6 0 1 1 54.45 4584 + 4585 3 34.329000 5.483000 24.187000 293 L A 2 "LEU " " CD2" 6 0 1 1 52.67 4585 + 4586 43 30.693000 7.386000 25.482000 293 L A 2 "LEU " " H " 1 0 1 1 76.42 4586 + 4587 41 33.142000 6.328000 26.546000 293 L A 2 "LEU " " HA " 1 0 1 1 63.61 4587 + 4588 41 34.088000 8.094000 24.835000 293 L A 2 "LEU " " HB3" 1 0 1 1 61.17 4588 + 4589 41 32.422000 8.393000 24.445000 293 L A 2 "LEU " " HB2" 1 0 1 1 61.17 4589 + 4590 41 32.238000 5.862000 23.979000 293 L A 2 "LEU " " HG " 1 0 1 1 47.82 4590 + 4591 41 32.430000 6.381000 21.800000 293 L A 2 "LEU " "HD11" 1 0 1 1 54.45 4591 + 4592 41 32.972000 7.972000 22.289000 293 L A 2 "LEU " "HD12" 1 0 1 1 54.45 4592 + 4593 41 34.150000 6.736000 21.921000 293 L A 2 "LEU " "HD13" 1 0 1 1 54.45 4593 + 4594 41 34.983000 5.297000 23.335000 293 L A 2 "LEU " "HD21" 1 0 1 1 52.67 4594 + 4595 41 34.961000 5.869000 24.988000 293 L A 2 "LEU " "HD22" 1 0 1 1 52.67 4595 + 4596 41 33.956000 4.513000 24.518000 293 L A 2 "LEU " "HD23" 1 0 1 1 52.67 4596 + 4597 25 32.381000 9.454000 27.353000 294 A A 2 "ALA " " N " 7 0 1 1 61.49 4597 + 4598 3 32.648000 10.523000 28.320000 294 A A 2 "ALA " " CA " 6 0 1 1 69.11 4598 + 4599 2 32.470000 10.068000 29.780000 294 A A 2 "ALA " " C " 6 0 1 1 74.67 4599 + 4600 15 33.195000 10.550000 30.650000 294 A A 2 "ALA " " O " 8 0 1 1 84.55 4600 + 4601 3 31.758000 11.735000 28.008000 294 A A 2 "ALA " " CB " 6 0 1 1 66.84 4601 + 4602 43 31.549000 9.560000 26.788000 294 A A 2 "ALA " " H " 1 0 1 1 61.49 4602 + 4603 41 33.688000 10.833000 28.195000 294 A A 2 "ALA " " HA " 1 0 1 1 69.11 4603 + 4604 41 31.941000 12.551000 28.708000 294 A A 2 "ALA " " HB1" 1 0 1 1 66.84 4604 + 4605 41 31.955000 12.116000 27.006000 294 A A 2 "ALA " " HB2" 1 0 1 1 66.84 4605 + 4606 41 30.699000 11.483000 28.065000 294 A A 2 "ALA " " HB3" 1 0 1 1 66.84 4606 + 4607 25 31.550000 9.116000 30.004000 295 I A 2 "ILE " " N " 7 0 1 1 75.11 4607 + 4608 3 31.331000 8.440000 31.280000 295 I A 2 "ILE " " CA " 6 0 1 1 73.18 4608 + 4609 2 32.474000 7.457000 31.616000 295 I A 2 "ILE " " C " 6 0 1 1 71.65 4609 + 4610 15 32.960000 7.502000 32.744000 295 I A 2 "ILE " " O " 8 0 1 1 76.75 4610 + 4611 3 29.941000 7.736000 31.313000 295 I A 2 "ILE " " CB " 6 0 1 1 72.84 4611 + 4612 3 28.808000 8.788000 31.376000 295 I A 2 "ILE " " CG1" 6 0 1 1 78.89 4612 + 4613 3 29.750000 6.694000 32.435000 295 I A 2 "ILE " " CG2" 6 0 1 1 74.34 4613 + 4614 3 27.427000 8.244000 30.977000 295 I A 2 "ILE " " CD1" 6 0 1 1 76.17 4614 + 4615 43 30.978000 8.795000 29.234000 295 I A 2 "ILE " " H " 1 0 1 1 75.11 4615 + 4616 41 31.330000 9.204000 32.060000 295 I A 2 "ILE " " HA " 1 0 1 1 73.18 4616 + 4617 41 29.829000 7.203000 30.368000 295 I A 2 "ILE " " HB " 1 0 1 1 72.84 4617 + 4618 41 29.037000 9.634000 30.729000 295 I A 2 "ILE " "HG13" 1 0 1 1 78.89 4618 + 4619 41 28.757000 9.202000 32.383000 295 I A 2 "ILE " "HG12" 1 0 1 1 78.89 4619 + 4620 41 28.728000 6.317000 32.463000 295 I A 2 "ILE " "HG21" 1 0 1 1 74.34 4620 + 4621 41 30.386000 5.824000 32.281000 295 I A 2 "ILE " "HG22" 1 0 1 1 74.34 4621 + 4622 41 29.975000 7.114000 33.416000 295 I A 2 "ILE " "HG23" 1 0 1 1 74.34 4622 + 4623 41 26.833000 9.017000 30.489000 295 I A 2 "ILE " "HD11" 1 0 1 1 76.17 4623 + 4624 41 27.503000 7.408000 30.282000 295 I A 2 "ILE " "HD12" 1 0 1 1 76.17 4624 + 4625 41 26.872000 7.902000 31.851000 295 I A 2 "ILE " "HD13" 1 0 1 1 76.17 4625 + 4626 25 32.934000 6.655000 30.634000 296 E A 2 "GLU " " N " 7 0 1 1 72.44 4626 + 4627 3 34.111000 5.778000 30.758000 296 E A 2 "GLU " " CA " 6 0 1 1 75.79 4627 + 4628 2 35.403000 6.560000 31.075000 296 E A 2 "GLU " " C " 6 0 1 1 76.29 4628 + 4629 15 36.200000 6.102000 31.894000 296 E A 2 "GLU " " O " 8 0 1 1 77.8 4629 + 4630 3 34.271000 4.915000 29.483000 296 E A 2 "GLU " " CB " 6 0 1 1 78.82 4630 + 4631 3 35.463000 3.925000 29.520000 296 E A 2 "GLU " " CG " 6 0 1 1 93.59 4631 + 4632 2 35.672000 3.192000 28.196000 296 E A 2 "GLU " " CD " 6 0 1 1 95.82 4632 + 4633 15 35.950000 3.892000 27.200000 296 E A 2 "GLU " " OE1" 8 0 1 1 91.63 4633 + 4634 18 35.587000 1.945000 28.204000 296 E A 2 "GLU " " OE2" 8 -1 1 1 104.88 4634 + 4635 43 32.474000 6.656000 29.733000 296 E A 2 "GLU " " H " 1 0 1 1 72.44 4635 + 4636 41 33.921000 5.105000 31.597000 296 E A 2 "GLU " " HA " 1 0 1 1 75.79 4636 + 4637 41 34.371000 5.571000 28.617000 296 E A 2 "GLU " " HB3" 1 0 1 1 78.82 4637 + 4638 41 33.353000 4.351000 29.318000 296 E A 2 "GLU " " HB2" 1 0 1 1 78.82 4638 + 4639 41 35.318000 3.200000 30.322000 296 E A 2 "GLU " " HG3" 1 0 1 1 93.59 4639 + 4640 41 36.400000 4.439000 29.732000 296 E A 2 "GLU " " HG2" 1 0 1 1 93.59 4640 + 4641 25 35.563000 7.735000 30.442000 297 A A 2 "ALA " " N " 7 0 1 1 75.88 4641 + 4642 3 36.659000 8.675000 30.671000 297 A A 2 "ALA " " CA " 6 0 1 1 69.83 4642 + 4643 2 36.654000 9.283000 32.082000 297 A A 2 "ALA " " C " 6 0 1 1 70.27 4643 + 4644 15 37.724000 9.403000 32.678000 297 A A 2 "ALA " " O " 8 0 1 1 70.78 4644 + 4645 3 36.626000 9.766000 29.591000 297 A A 2 "ALA " " CB " 6 0 1 1 63.11 4645 + 4646 43 34.875000 8.017000 29.756000 297 A A 2 "ALA " " H " 1 0 1 1 75.88 4646 + 4647 41 37.596000 8.133000 30.562000 297 A A 2 "ALA " " HA " 1 0 1 1 69.83 4647 + 4648 41 37.451000 10.468000 29.715000 297 A A 2 "ALA " " HB1" 1 0 1 1 63.11 4648 + 4649 41 36.717000 9.330000 28.596000 297 A A 2 "ALA " " HB2" 1 0 1 1 63.11 4649 + 4650 41 35.698000 10.336000 29.621000 297 A A 2 "ALA " " HB3" 1 0 1 1 63.11 4650 + 4651 25 35.457000 9.607000 32.604000 298 S A 2 "SER " " N " 7 0 1 1 76.11 4651 + 4652 3 35.252000 10.112000 33.963000 298 S A 2 "SER " " CA " 6 0 1 1 80.44 4652 + 4653 2 35.549000 9.055000 35.049000 298 S A 2 "SER " " C " 6 0 1 1 85.59 4653 + 4654 15 36.027000 9.425000 36.120000 298 S A 2 "SER " " O " 8 0 1 1 92.72 4654 + 4655 3 33.822000 10.681000 34.077000 298 S A 2 "SER " " CB " 6 0 1 1 81.72 4655 + 4656 16 33.600000 11.310000 35.324000 298 S A 2 "SER " " OG " 8 0 1 1 89 4656 + 4657 43 34.623000 9.480000 32.046000 298 S A 2 "SER " " H " 1 0 1 1 76.11 4657 + 4658 41 35.952000 10.937000 34.111000 298 S A 2 "SER " " HA " 1 0 1 1 80.44 4658 + 4659 41 33.078000 9.896000 33.944000 298 S A 2 "SER " " HB3" 1 0 1 1 81.72 4659 + 4660 41 33.646000 11.418000 33.293000 298 S A 2 "SER " " HB2" 1 0 1 1 81.72 4660 + 4661 42 33.652000 10.647000 36.018000 298 S A 2 "SER " " HG " 1 0 1 1 89 4661 + 4662 25 35.294000 7.770000 34.748000 299 E A 2 "GLU " " N " 7 0 1 1 85.38 4662 + 4663 3 35.600000 6.634000 35.620000 299 E A 2 "GLU " " CA " 6 0 1 1 84.8 4663 + 4664 2 37.100000 6.299000 35.661000 299 E A 2 "GLU " " C " 6 0 1 1 81.39 4664 + 4665 15 37.613000 6.004000 36.739000 299 E A 2 "GLU " " O " 8 0 1 1 82.1 4665 + 4666 3 34.789000 5.404000 35.175000 299 E A 2 "GLU " " CB " 6 0 1 1 93.08 4666 + 4667 3 33.284000 5.526000 35.466000 299 E A 2 "GLU " " CG " 6 0 1 1 106.59 4667 + 4668 2 32.523000 4.317000 34.930000 299 E A 2 "GLU " " CD " 6 0 1 1 112.9 4668 + 4669 15 32.650000 3.243000 35.557000 299 E A 2 "GLU " " OE1" 8 0 1 1 117.81 4669 + 4670 18 31.842000 4.480000 33.895000 299 E A 2 "GLU " " OE2" 8 -1 1 1 125.41 4670 + 4671 43 34.871000 7.543000 33.857000 299 E A 2 "GLU " " H " 1 0 1 1 85.38 4671 + 4672 41 35.300000 6.889000 36.639000 299 E A 2 "GLU " " HA " 1 0 1 1 84.8 4672 + 4673 41 35.172000 4.510000 35.673000 299 E A 2 "GLU " " HB3" 1 0 1 1 93.08 4673 + 4674 41 34.936000 5.234000 34.108000 299 E A 2 "GLU " " HB2" 1 0 1 1 93.08 4674 + 4675 41 32.870000 6.436000 35.035000 299 E A 2 "GLU " " HG3" 1 0 1 1 106.59 4675 + 4676 41 33.117000 5.596000 36.541000 299 E A 2 "GLU " " HG2" 1 0 1 1 106.59 4676 + 4677 25 37.775000 6.362000 34.500000 300 A A 2 "ALA " " N " 7 0 1 1 81.29 4677 + 4678 3 39.212000 6.117000 34.362000 300 A A 2 "ALA " " CA " 6 0 1 1 79.15 4678 + 4679 2 40.079000 7.209000 35.012000 300 A A 2 "ALA " " C " 6 0 1 1 83.35 4679 + 4680 15 41.153000 6.891000 35.522000 300 A A 2 "ALA " " O " 8 0 1 1 85.92 4680 + 4681 3 39.552000 5.958000 32.876000 300 A A 2 "ALA " " CB " 6 0 1 1 80.05 4681 + 4682 43 37.277000 6.592000 33.649000 300 A A 2 "ALA " " H " 1 0 1 1 81.29 4682 + 4683 41 39.438000 5.171000 34.859000 300 A A 2 "ALA " " HA " 1 0 1 1 79.15 4683 + 4684 41 40.600000 5.698000 32.735000 300 A A 2 "ALA " " HB1" 1 0 1 1 80.05 4684 + 4685 41 38.956000 5.165000 32.423000 300 A A 2 "ALA " " HB2" 1 0 1 1 80.05 4685 + 4686 41 39.360000 6.877000 32.321000 300 A A 2 "ALA " " HB3" 1 0 1 1 80.05 4686 + 4687 25 39.575000 8.457000 35.034000 301 A A 2 "ALA " " N " 7 0 1 1 85.19 4687 + 4688 3 40.169000 9.592000 35.744000 301 A A 2 "ALA " " CA " 6 0 1 1 86.17 4688 + 4689 2 40.232000 9.386000 37.269000 301 A A 2 "ALA " " C " 6 0 1 1 86.6 4689 + 4690 15 41.207000 9.805000 37.890000 301 A A 2 "ALA " " O " 8 0 1 1 88.13 4690 + 4691 3 39.379000 10.864000 35.402000 301 A A 2 "ALA " " CB " 6 0 1 1 97.43 4691 + 4692 43 38.693000 8.637000 34.574000 301 A A 2 "ALA " " H " 1 0 1 1 85.19 4692 + 4693 41 41.191000 9.713000 35.380000 301 A A 2 "ALA " " HA " 1 0 1 1 86.17 4693 + 4694 41 39.806000 11.739000 35.896000 301 A A 2 "ALA " " HB1" 1 0 1 1 97.43 4694 + 4695 41 39.393000 11.057000 34.329000 301 A A 2 "ALA " " HB2" 1 0 1 1 97.43 4695 + 4696 41 38.336000 10.786000 35.710000 301 A A 2 "ALA " " HB3" 1 0 1 1 97.43 4696 + 4697 25 39.223000 8.689000 37.821000 302 E A 2 "GLU " " N " 7 0 0 1 82.61 4697 + 4698 3 39.126000 8.281000 39.225000 302 E A 2 "GLU " " CA " 6 0 0 1 85.58 4698 + 4699 2 39.831000 6.939000 39.523000 302 E A 2 "GLU " " C " 6 0 0 1 77.93 4699 + 4700 15 39.597000 6.358000 40.583000 302 E A 2 "GLU " " O " 8 0 0 1 82.54 4700 + 4701 3 37.638000 8.261000 39.632000 302 E A 2 "GLU " " CB " 6 0 0 1 99.25 4701 + 4702 3 36.974000 9.649000 39.535000 302 E A 2 "GLU " " CG " 6 0 0 1 119.7 4702 + 4703 2 35.514000 9.638000 39.986000 302 E A 2 "GLU " " CD " 6 0 0 1 130.18 4703 + 4704 15 34.778000 8.726000 39.546000 302 E A 2 "GLU " " OE1" 8 0 0 1 132.52 4704 + 4705 18 35.157000 10.551000 40.761000 302 E A 2 "GLU " " OE2" 8 -1 0 1 137.14 4705 + 4706 43 38.466000 8.377000 37.229000 302 E A 2 "GLU " " H " 1 0 0 1 82.61 4706 + 4707 41 39.627000 9.028000 39.844000 302 E A 2 "GLU " " HA " 1 0 0 1 85.58 4707 + 4708 41 37.530000 7.894000 40.653000 302 E A 2 "GLU " " HB3" 1 0 0 1 99.25 4708 + 4709 41 37.101000 7.552000 38.999000 302 E A 2 "GLU " " HB2" 1 0 0 1 99.25 4709 + 4710 41 37.006000 10.026000 38.514000 302 E A 2 "GLU " " HG3" 1 0 0 1 119.7 4710 + 4711 41 37.530000 10.364000 40.145000 302 E A 2 "GLU " " HG2" 1 0 0 1 119.7 4711 + 4712 25 40.684000 6.474000 38.596000 303 Q A 2 "GLN " " N " 7 0 0 1 75.29 4712 + 4713 3 41.519000 5.277000 38.720000 303 Q A 2 "GLN " " CA " 6 0 0 1 76.36 4713 + 4714 2 43.001000 5.572000 38.425000 303 Q A 2 "GLN " " C " 6 0 0 1 81.06 4714 + 4715 15 43.820000 4.664000 38.565000 303 Q A 2 "GLN " " O " 8 0 0 1 84.28 4715 + 4716 3 40.971000 4.179000 37.785000 303 Q A 2 "GLN " " CB " 6 0 0 1 84.91 4716 + 4717 3 39.614000 3.607000 38.234000 303 Q A 2 "GLN " " CG " 6 0 0 1 96.45 4717 + 4718 2 38.965000 2.732000 37.160000 303 Q A 2 "GLN " " CD " 6 0 0 1 102.6 4718 + 4719 15 39.646000 2.019000 36.425000 303 Q A 2 "GLN " " OE1" 8 0 0 1 90.41 4719 + 4720 25 37.635000 2.773000 37.075000 303 Q A 2 "GLN " " NE2" 7 0 0 1 108.59 4720 + 4721 43 40.783000 6.987000 37.731000 303 Q A 2 "GLN " " H " 1 0 0 1 75.29 4721 + 4722 41 41.489000 4.903000 39.745000 303 Q A 2 "GLN " " HA " 1 0 0 1 76.36 4722 + 4723 41 41.683000 3.355000 37.715000 303 Q A 2 "GLN " " HB3" 1 0 0 1 84.91 4723 + 4724 41 40.879000 4.583000 36.777000 303 Q A 2 "GLN " " HB2" 1 0 0 1 84.91 4724 + 4725 41 38.924000 4.414000 38.479000 303 Q A 2 "GLN " " HG3" 1 0 0 1 96.45 4725 + 4726 41 39.738000 3.021000 39.145000 303 Q A 2 "GLN " " HG2" 1 0 0 1 96.45 4726 + 4727 43 37.149000 2.204000 36.398000 303 Q A 2 "GLN " "HE22" 1 0 0 1 108.59 4727 + 4728 43 37.103000 3.382000 37.682000 303 Q A 2 "GLN " "HE21" 1 0 0 1 108.59 4728 + 4729 25 43.331000 6.818000 38.032000 304 G A 2 "GLY " " N " 7 0 0 1 89.61 4729 + 4730 3 44.696000 7.254000 37.734000 304 G A 2 "GLY " " CA " 6 0 0 1 91.3 4730 + 4731 2 45.263000 6.608000 36.458000 304 G A 2 "GLY " " C " 6 0 0 1 91.11 4731 + 4732 15 46.480000 6.454000 36.365000 304 G A 2 "GLY " " O " 8 0 0 1 97.92 4732 + 4733 43 42.606000 7.516000 37.953000 304 G A 2 "GLY " " H " 1 0 0 1 89.61 4733 + 4734 41 45.348000 7.033000 38.582000 304 G A 2 "GLY " " HA3" 1 0 0 1 91.3 4734 + 4735 41 44.696000 8.337000 37.607000 304 G A 2 "GLY " " HA2" 1 0 0 1 91.3 4735 + 4736 25 44.399000 6.214000 35.506000 305 R A 2 "ARG " " N " 7 0 0 1 90.77 4736 + 4737 3 44.780000 5.601000 34.232000 305 R A 2 "ARG " " CA " 6 0 0 1 94.84 4737 + 4738 2 44.069000 6.318000 33.063000 305 R A 2 "ARG " " C " 6 0 0 1 88.22 4738 + 4739 15 43.006000 6.904000 33.274000 305 R A 2 "ARG " " O " 8 0 0 1 87.67 4739 + 4740 3 44.436000 4.091000 34.254000 305 R A 2 "ARG " " CB " 6 0 0 1 105.48 4740 + 4741 3 42.933000 3.751000 34.386000 305 R A 2 "ARG " " CG " 6 0 0 1 130.57 4741 + 4742 3 42.571000 2.395000 33.766000 305 R A 2 "ARG " " CD " 6 0 0 1 147.43 4742 + 4743 25 41.114000 2.245000 33.642000 305 R A 2 "ARG " " NE " 7 0 0 1 158.82 4743 + 4744 2 40.472000 1.470000 32.750000 305 R A 2 "ARG " " CZ " 6 0 0 1 161.3 4744 + 4745 25 41.138000 0.739000 31.844000 305 R A 2 "ARG " " NH1" 7 0 0 1 163.71 4745 + 4746 31 39.134000 1.424000 32.765000 305 R A 2 "ARG " " NH2" 7 1 0 1 165.57 4746 + 4747 43 43.409000 6.379000 35.634000 305 R A 2 "ARG " " H " 1 0 0 1 90.77 4747 + 4748 41 45.856000 5.698000 34.107000 305 R A 2 "ARG " " HA " 1 0 0 1 94.84 4748 + 4749 41 44.999000 3.578000 35.034000 305 R A 2 "ARG " " HB3" 1 0 0 1 105.48 4749 + 4750 41 44.804000 3.674000 33.316000 305 R A 2 "ARG " " HB2" 1 0 0 1 105.48 4750 + 4751 41 42.284000 4.501000 33.940000 305 R A 2 "ARG " " HG3" 1 0 0 1 130.57 4751 + 4752 41 42.698000 3.755000 35.450000 305 R A 2 "ARG " " HG2" 1 0 0 1 130.57 4752 + 4753 41 42.893000 1.587000 34.424000 305 R A 2 "ARG " " HD3" 1 0 0 1 147.43 4753 + 4754 41 43.085000 2.258000 32.815000 305 R A 2 "ARG " " HD2" 1 0 0 1 147.43 4754 + 4755 43 40.565000 2.684000 34.370000 305 R A 2 "ARG " " HE " 1 0 0 1 158.82 4755 + 4756 43 40.639000 0.146000 31.195000 305 R A 2 "ARG " "HH12" 1 0 0 1 163.71 4756 + 4757 43 42.146000 0.772000 31.812000 305 R A 2 "ARG " "HH11" 1 0 0 1 163.71 4757 + 4758 44 38.634000 0.839000 32.109000 305 R A 2 "ARG " "HH22" 1 0 0 1 165.57 4758 + 4759 44 38.612000 1.959000 33.444000 305 R A 2 "ARG " "HH21" 1 0 0 1 165.57 4759 + 4760 25 44.598000 6.187000 31.825000 306 P A 2 "PRO " " N " 7 0 0 1 81.39 4760 + 4761 3 43.811000 6.481000 30.610000 306 P A 2 "PRO " " CA " 6 0 0 1 74.16 4761 + 4762 2 42.613000 5.512000 30.444000 306 P A 2 "PRO " " C " 6 0 0 1 76.35 4762 + 4763 15 42.740000 4.345000 30.821000 306 P A 2 "PRO " " O " 8 0 0 1 86.3 4763 + 4764 3 44.829000 6.290000 29.466000 306 P A 2 "PRO " " CB " 6 0 0 1 75.5 4764 + 4765 3 46.199000 6.374000 30.118000 306 P A 2 "PRO " " CG " 6 0 0 1 81.58 4765 + 4766 3 45.960000 5.772000 31.493000 306 P A 2 "PRO " " CD " 6 0 0 1 79.93 4766 + 4767 41 43.506000 7.526000 30.674000 306 P A 2 "PRO " " HA " 1 0 0 1 74.16 4767 + 4768 41 44.707000 7.029000 28.674000 306 P A 2 "PRO " " HB3" 1 0 0 1 75.5 4768 + 4769 41 44.720000 5.306000 29.005000 306 P A 2 "PRO " " HB2" 1 0 0 1 75.5 4769 + 4770 41 46.483000 7.422000 30.226000 306 P A 2 "PRO " " HG3" 1 0 0 1 81.58 4770 + 4771 41 46.982000 5.870000 29.552000 306 P A 2 "PRO " " HG2" 1 0 0 1 81.58 4771 + 4772 41 46.005000 4.683000 31.455000 306 P A 2 "PRO " " HD2" 1 0 0 1 79.93 4772 + 4773 41 46.716000 6.131000 32.191000 306 P A 2 "PRO " " HD3" 1 0 0 1 79.93 4773 + 4774 25 41.491000 5.984000 29.852000 307 P A 2 "PRO " " N " 7 0 0 1 69.45 4774 + 4775 3 40.364000 5.101000 29.494000 307 P A 2 "PRO " " CA " 6 0 0 1 70.03 4775 + 4776 2 40.711000 4.166000 28.321000 307 P A 2 "PRO " " C " 6 0 0 1 73.71 4776 + 4777 15 41.541000 4.534000 27.488000 307 P A 2 "PRO " " O " 8 0 0 1 68.89 4777 + 4778 3 39.248000 6.088000 29.127000 307 P A 2 "PRO " " CB " 6 0 0 1 66.22 4778 + 4779 3 39.974000 7.314000 28.595000 307 P A 2 "PRO " " CG " 6 0 0 1 67.14 4779 + 4780 3 41.243000 7.368000 29.441000 307 P A 2 "PRO " " CD " 6 0 0 1 70.87 4780 + 4781 41 40.060000 4.494000 30.348000 307 P A 2 "PRO " " HA " 1 0 0 1 70.03 4781 + 4782 41 38.696000 6.334000 30.032000 307 P A 2 "PRO " " HB3" 1 0 0 1 66.22 4782 + 4783 41 38.524000 5.689000 28.415000 307 P A 2 "PRO " " HB2" 1 0 0 1 66.22 4783 + 4784 41 39.380000 8.227000 28.640000 307 P A 2 "PRO " " HG3" 1 0 0 1 67.14 4784 + 4785 41 40.242000 7.138000 27.553000 307 P A 2 "PRO " " HG2" 1 0 0 1 67.14 4785 + 4786 41 42.069000 7.800000 28.874000 307 P A 2 "PRO " " HD2" 1 0 0 1 70.87 4786 + 4787 41 41.080000 7.973000 30.335000 307 P A 2 "PRO " " HD3" 1 0 0 1 70.87 4787 + 4788 25 40.072000 2.980000 28.284000 308 E A 2 "GLU " " N " 7 0 0 1 81.36 4788 + 4789 3 40.246000 1.978000 27.222000 308 E A 2 "GLU " " CA " 6 0 0 1 86.47 4789 + 4790 2 39.997000 2.533000 25.813000 308 E A 2 "GLU " " C " 6 0 0 1 86.5 4790 + 4791 15 40.845000 2.371000 24.937000 308 E A 2 "GLU " " O " 8 0 0 1 77.06 4791 + 4792 3 39.315000 0.765000 27.435000 308 E A 2 "GLU " " CB " 6 0 0 1 107.26 4792 + 4793 3 39.707000 -0.140000 28.611000 308 E A 2 "GLU " " CG " 6 0 0 1 127.49 4793 + 4794 2 38.833000 -1.394000 28.707000 308 E A 2 "GLU " " CD " 6 0 0 1 142.33 4794 + 4795 15 38.483000 -1.953000 27.642000 308 E A 2 "GLU " " OE1" 8 0 0 1 144.5 4795 + 4796 18 38.545000 -1.783000 29.859000 308 E A 2 "GLU " " OE2" 8 -1 0 1 153.83 4796 + 4797 43 39.396000 2.753000 28.999000 308 E A 2 "GLU " " H " 1 0 0 1 81.36 4797 + 4798 41 41.281000 1.633000 27.257000 308 E A 2 "GLU " " HA " 1 0 0 1 86.47 4798 + 4799 41 39.299000 0.169000 26.519000 308 E A 2 "GLU " " HB3" 1 0 0 1 107.26 4799 + 4800 41 38.290000 1.110000 27.580000 308 E A 2 "GLU " " HB2" 1 0 0 1 107.26 4800 + 4801 41 39.629000 0.423000 29.541000 308 E A 2 "GLU " " HG3" 1 0 0 1 127.49 4801 + 4802 41 40.746000 -0.457000 28.514000 308 E A 2 "GLU " " HG2" 1 0 0 1 127.49 4802 + 4803 25 38.834000 3.176000 25.652000 309 H A 2 "HIS " " N " 7 0 0 1 83.93 4803 + 4804 3 38.359000 3.769000 24.410000 309 H A 2 "HIS " " CA " 6 0 0 1 79.14 4804 + 4805 2 38.161000 5.271000 24.637000 309 H A 2 "HIS " " C " 6 0 0 1 74.81 4805 + 4806 15 37.900000 5.695000 25.764000 309 H A 2 "HIS " " O " 8 0 0 1 74.05 4806 + 4807 3 37.046000 3.065000 24.011000 309 H A 2 "HIS " " CB " 6 0 0 1 90.05 4807 + 4808 2 37.149000 1.562000 23.940000 309 H A 2 "HIS " " CG " 6 0 0 1 95.42 4808 + 4809 25 37.822000 0.896000 22.911000 309 H A 2 "HIS " " ND1" 7 0 0 1 99.47 4809 + 4810 2 36.673000 0.628000 24.836000 309 H A 2 "HIS " " CD2" 6 0 0 1 89.88 4810 + 4811 2 37.725000 -0.391000 23.215000 309 H A 2 "HIS " " CE1" 6 0 0 1 98.51 4811 + 4812 25 37.061000 -0.609000 24.351000 309 H A 2 "HIS " " NE2" 7 0 0 1 101.36 4812 + 4813 43 38.207000 3.278000 26.440000 309 H A 2 "HIS " " H " 1 0 0 1 83.93 4813 + 4814 41 39.091000 3.630000 23.612000 309 H A 2 "HIS " " HA " 1 0 0 1 79.14 4814 + 4815 41 36.693000 3.428000 23.051000 309 H A 2 "HIS " " HB3" 1 0 0 1 90.05 4815 + 4816 41 36.258000 3.307000 24.722000 309 H A 2 "HIS " " HB2" 1 0 0 1 90.05 4816 + 4817 41 36.127000 0.744000 25.762000 309 H A 2 "HIS " " HD2" 1 0 0 1 89.88 4817 + 4818 41 38.153000 -1.179000 22.613000 309 H A 2 "HIS " " HE1" 1 0 0 1 98.51 4818 + 4819 43 36.893000 -1.503000 24.790000 309 H A 2 "HIS " " HE2" 1 0 0 1 101.36 4819 + 4820 25 38.309000 6.055000 23.562000 310 T A 2 "THR " " N " 7 0 0 1 71.81 4820 + 4821 3 38.217000 7.512000 23.623000 310 T A 2 "THR " " CA " 6 0 0 1 74.49 4821 + 4822 2 37.224000 8.027000 22.574000 310 T A 2 "THR " " C " 6 0 0 1 69.47 4822 + 4823 15 37.239000 7.581000 21.425000 310 T A 2 "THR " " O " 8 0 0 1 68.55 4823 + 4824 3 39.597000 8.189000 23.380000 310 T A 2 "THR " " CB " 6 0 0 1 86.88 4824 + 4825 16 40.074000 8.037000 22.054000 310 T A 2 "THR " " OG1" 8 0 0 1 93.98 4825 + 4826 3 40.686000 7.728000 24.361000 310 T A 2 "THR " " CG2" 6 0 0 1 96.83 4826 + 4827 43 38.538000 5.653000 22.664000 310 T A 2 "THR " " H " 1 0 0 1 71.81 4827 + 4828 41 37.856000 7.836000 24.602000 310 T A 2 "THR " " HA " 1 0 0 1 74.49 4828 + 4829 41 39.468000 9.263000 23.529000 310 T A 2 "THR " " HB " 1 0 0 1 86.88 4829 + 4830 42 39.404000 8.385000 21.460000 310 T A 2 "THR " " HG1" 1 0 0 1 93.98 4830 + 4831 41 41.614000 8.277000 24.203000 310 T A 2 "THR " "HG21" 1 0 0 1 96.83 4831 + 4832 41 40.374000 7.902000 25.390000 310 T A 2 "THR " "HG22" 1 0 0 1 96.83 4832 + 4833 41 40.909000 6.666000 24.254000 310 T A 2 "THR " "HG23" 1 0 0 1 96.83 4833 + 4834 25 36.416000 9.011000 22.999000 311 S A 2 "SER " " N " 7 0 0 1 60.27 4834 + 4835 3 35.590000 9.847000 22.134000 311 S A 2 "SER " " CA " 6 0 0 1 53.93 4835 + 4836 2 36.468000 10.703000 21.206000 311 S A 2 "SER " " C " 6 0 0 1 53.88 4836 + 4837 15 37.545000 11.151000 21.607000 311 S A 2 "SER " " O " 8 0 0 1 69 4837 + 4838 3 34.674000 10.723000 23.018000 311 S A 2 "SER " " CB " 6 0 0 1 52.83 4838 + 4839 16 33.861000 11.595000 22.258000 311 S A 2 "SER " " OG " 8 0 0 1 54.13 4839 + 4840 43 36.466000 9.302000 23.965000 311 S A 2 "SER " " H " 1 0 0 1 60.27 4840 + 4841 41 34.966000 9.192000 21.523000 311 S A 2 "SER " " HA " 1 0 0 1 53.93 4841 + 4842 41 35.267000 11.321000 23.710000 311 S A 2 "SER " " HB3" 1 0 0 1 52.83 4842 + 4843 41 34.018000 10.098000 23.622000 311 S A 2 "SER " " HB2" 1 0 0 1 52.83 4843 + 4844 42 33.319000 12.110000 22.861000 311 S A 2 "SER " " HG " 1 0 0 1 54.13 4844 + 4845 25 35.964000 10.914000 19.987000 312 K A 2 "LYS " " N " 7 0 0 1 47.84 4845 + 4846 3 36.563000 11.764000 18.963000 312 K A 2 "LYS " " CA " 6 0 0 1 45.57 4846 + 4847 2 35.751000 13.056000 18.770000 312 K A 2 "LYS " " C " 6 0 0 1 51.45 4847 + 4848 15 36.166000 13.901000 17.977000 312 K A 2 "LYS " " O " 8 0 0 1 47.98 4848 + 4849 3 36.653000 10.957000 17.657000 312 K A 2 "LYS " " CB " 6 0 0 1 53.89 4849 + 4850 3 37.377000 9.601000 17.782000 312 K A 2 "LYS " " CG " 6 0 0 1 68.5 4850 + 4851 3 38.824000 9.693000 18.285000 312 K A 2 "LYS " " CD " 6 0 0 1 82.61 4851 + 4852 3 39.449000 8.307000 18.484000 312 K A 2 "LYS " " CE " 6 0 0 1 92.18 4852 + 4853 32 40.896000 8.411000 18.727000 312 K A 2 "LYS " " NZ " 7 1 0 1 112.85 4853 + 4854 43 35.085000 10.479000 19.735000 312 K A 2 "LYS " " H " 1 0 0 1 47.84 4854 + 4855 41 37.566000 12.080000 19.254000 312 K A 2 "LYS " " HA " 1 0 0 1 45.57 4855 + 4856 41 37.136000 11.553000 16.881000 312 K A 2 "LYS " " HB3" 1 0 0 1 53.89 4856 + 4857 41 35.639000 10.766000 17.313000 312 K A 2 "LYS " " HB2" 1 0 0 1 53.89 4857 + 4858 41 37.389000 9.121000 16.805000 312 K A 2 "LYS " " HG3" 1 0 0 1 68.5 4858 + 4859 41 36.804000 8.932000 18.426000 312 K A 2 "LYS " " HG2" 1 0 0 1 68.5 4859 + 4860 41 38.868000 10.231000 19.231000 312 K A 2 "LYS " " HD3" 1 0 0 1 82.61 4860 + 4861 41 39.412000 10.273000 17.573000 312 K A 2 "LYS " " HD2" 1 0 0 1 82.61 4861 + 4862 41 39.293000 7.685000 17.603000 312 K A 2 "LYS " " HE3" 1 0 0 1 92.18 4862 + 4863 41 38.976000 7.791000 19.320000 312 K A 2 "LYS " " HE2" 1 0 0 1 92.18 4863 + 4864 44 41.071000 8.984000 19.540000 312 K A 2 "LYS " " HZ1" 1 0 0 1 112.85 4864 + 4865 44 41.281000 7.489000 18.869000 312 K A 2 "LYS " " HZ2" 1 0 0 1 112.85 4865 + 4866 44 41.325000 8.830000 17.911000 312 K A 2 "LYS " " HZ3" 1 0 0 1 112.85 4866 + 4867 25 34.641000 13.203000 19.522000 313 F A 2 "PHE " " N " 7 0 0 1 54.48 4867 + 4868 3 33.806000 14.401000 19.639000 313 F A 2 "PHE " " CA " 6 0 0 1 61.18 4868 + 4869 2 33.211000 14.842000 18.287000 313 F A 2 "PHE " " C " 6 0 0 1 63.89 4869 + 4870 15 33.220000 16.030000 17.966000 313 F A 2 "PHE " " O " 8 0 0 1 64.59 4870 + 4871 3 34.583000 15.521000 20.378000 313 F A 2 "PHE " " CB " 6 0 0 1 55.15 4871 + 4872 2 35.047000 15.147000 21.777000 313 F A 2 "PHE " " CG " 6 0 0 1 46.77 4872 + 4873 2 36.300000 14.523000 21.966000 313 F A 2 "PHE " " CD1" 6 0 0 1 56.1 4873 + 4874 2 34.166000 15.254000 22.873000 313 F A 2 "PHE " " CD2" 6 0 0 1 42.52 4874 + 4875 2 36.674000 14.076000 23.225000 313 F A 2 "PHE " " CE1" 6 0 0 1 61.77 4875 + 4876 2 34.561000 14.806000 24.128000 313 F A 2 "PHE " " CE2" 6 0 0 1 54.12 4876 + 4877 2 35.811000 14.223000 24.303000 313 F A 2 "PHE " " CZ " 6 0 0 1 65.15 4877 + 4878 43 34.389000 12.451000 20.150000 313 F A 2 "PHE " " H " 1 0 0 1 54.48 4878 + 4879 41 32.954000 14.122000 20.261000 313 F A 2 "PHE " " HA " 1 0 0 1 61.18 4879 + 4880 41 33.964000 16.411000 20.466000 313 F A 2 "PHE " " HB3" 1 0 0 1 55.15 4880 + 4881 41 35.454000 15.825000 19.797000 313 F A 2 "PHE " " HB2" 1 0 0 1 55.15 4881 + 4882 41 36.972000 14.385000 21.131000 313 F A 2 "PHE " " HD1" 1 0 0 1 56.1 4882 + 4883 41 33.182000 15.682000 22.742000 313 F A 2 "PHE " " HD2" 1 0 0 1 42.52 4883 + 4884 41 37.635000 13.602000 23.363000 313 F A 2 "PHE " " HE1" 1 0 0 1 61.77 4884 + 4885 41 33.890000 14.900000 24.968000 313 F A 2 "PHE " " HE2" 1 0 0 1 54.12 4885 + 4886 41 36.106000 13.870000 25.280000 313 F A 2 "PHE " " HZ " 1 0 0 1 65.15 4886 + 4887 25 32.717000 13.858000 17.516000 314 Y A 2 "TYR " " N " 7 0 1 1 66.75 4887 + 4888 3 32.085000 14.031000 16.210000 314 Y A 2 "TYR " " CA " 6 0 1 1 57.25 4888 + 4889 2 30.781000 14.831000 16.297000 314 Y A 2 "TYR " " C " 6 0 1 1 56.91 4889 + 4890 15 30.575000 15.689000 15.445000 314 Y A 2 "TYR " " O " 8 0 1 1 50.87 4890 + 4891 3 31.772000 12.669000 15.559000 314 Y A 2 "TYR " " CB " 6 0 1 1 44.08 4891 + 4892 2 32.906000 11.674000 15.396000 314 Y A 2 "TYR " " CG " 6 0 1 1 53.63 4892 + 4893 2 34.133000 12.052000 14.811000 314 Y A 2 "TYR " " CD1" 6 0 1 1 50.43 4893 + 4894 2 32.696000 10.332000 15.776000 314 Y A 2 "TYR " " CD2" 6 0 1 1 52.04 4894 + 4895 2 35.132000 11.083000 14.585000 314 Y A 2 "TYR " " CE1" 6 0 1 1 62.11 4895 + 4896 2 33.693000 9.368000 15.558000 314 Y A 2 "TYR " " CE2" 6 0 1 1 64.49 4896 + 4897 2 34.905000 9.742000 14.953000 314 Y A 2 "TYR " " CZ " 6 0 1 1 60.09 4897 + 4898 16 35.862000 8.799000 14.747000 314 Y A 2 "TYR " " OH " 8 0 1 1 71.72 4898 + 4899 43 32.700000 12.911000 17.881000 314 Y A 2 "TYR " " H " 1 0 1 1 66.75 4899 + 4900 41 32.779000 14.580000 15.571000 314 Y A 2 "TYR " " HA " 1 0 1 1 57.25 4900 + 4901 41 31.347000 12.827000 14.567000 314 Y A 2 "TYR " " HB3" 1 0 1 1 44.08 4901 + 4902 41 30.992000 12.179000 16.140000 314 Y A 2 "TYR " " HB2" 1 0 1 1 44.08 4902 + 4903 41 34.304000 13.074000 14.509000 314 Y A 2 "TYR " " HD1" 1 0 1 1 50.43 4903 + 4904 41 31.760000 10.030000 16.223000 314 Y A 2 "TYR " " HD2" 1 0 1 1 52.04 4904 + 4905 41 36.068000 11.368000 14.127000 314 Y A 2 "TYR " " HE1" 1 0 1 1 62.11 4905 + 4906 41 33.520000 8.342000 15.849000 314 Y A 2 "TYR " " HE2" 1 0 1 1 64.49 4906 + 4907 42 35.607000 7.930000 15.066000 314 Y A 2 "TYR " " HH " 1 0 1 1 71.72 4907 + 4908 25 29.938000 14.550000 17.311000 315 A A 2 "ALA " " N " 7 0 1 1 55.16 4908 + 4909 3 28.675000 15.254000 17.555000 315 A A 2 "ALA " " CA " 6 0 1 1 58.38 4909 + 4910 2 28.881000 16.738000 17.890000 315 A A 2 "ALA " " C " 6 0 1 1 63.35 4910 + 4911 15 28.157000 17.574000 17.354000 315 A A 2 "ALA " " O " 8 0 1 1 64.42 4911 + 4912 3 27.890000 14.558000 18.678000 315 A A 2 "ALA " " CB " 6 0 1 1 56.68 4912 + 4913 43 30.186000 13.836000 17.987000 315 A A 2 "ALA " " H " 1 0 1 1 55.16 4913 + 4914 41 28.079000 15.195000 16.641000 315 A A 2 "ALA " " HA " 1 0 1 1 58.38 4914 + 4915 41 26.965000 15.089000 18.901000 315 A A 2 "ALA " " HB1" 1 0 1 1 56.68 4915 + 4916 41 27.614000 13.542000 18.400000 315 A A 2 "ALA " " HB2" 1 0 1 1 56.68 4916 + 4917 41 28.463000 14.510000 19.604000 315 A A 2 "ALA " " HB3" 1 0 1 1 56.68 4917 + 4918 25 29.898000 17.023000 18.722000 316 K A 2 "LYS " " N " 7 0 1 1 67.21 4918 + 4919 3 30.360000 18.362000 19.093000 316 K A 2 "LYS " " CA " 6 0 1 1 70.44 4919 + 4920 2 30.969000 19.137000 17.906000 316 K A 2 "LYS " " C " 6 0 1 1 67.51 4920 + 4921 15 30.792000 20.353000 17.836000 316 K A 2 "LYS " " O " 8 0 1 1 66.5 4921 + 4922 3 31.373000 18.207000 20.248000 316 K A 2 "LYS " " CB " 6 0 1 1 78.82 4922 + 4923 3 31.913000 19.516000 20.856000 316 K A 2 "LYS " " CG " 6 0 1 1 78.7 4923 + 4924 3 33.130000 19.266000 21.763000 316 K A 2 "LYS " " CD " 6 0 1 1 76.13 4924 + 4925 3 33.670000 20.525000 22.460000 316 K A 2 "LYS " " CE " 6 0 1 1 82.02 4925 + 4926 32 34.011000 21.595000 21.505000 316 K A 2 "LYS " " NZ " 7 1 1 1 83.33 4926 + 4927 43 30.434000 16.256000 19.104000 316 K A 2 "LYS " " H " 1 0 1 1 67.21 4927 + 4928 41 29.500000 18.927000 19.457000 316 K A 2 "LYS " " HA " 1 0 1 1 70.44 4928 + 4929 41 32.212000 17.623000 19.877000 316 K A 2 "LYS " " HB3" 1 0 1 1 78.82 4929 + 4930 41 30.929000 17.615000 21.049000 316 K A 2 "LYS " " HB2" 1 0 1 1 78.82 4930 + 4931 41 31.119000 20.003000 21.425000 316 K A 2 "LYS " " HG3" 1 0 1 1 78.7 4931 + 4932 41 32.199000 20.216000 20.072000 316 K A 2 "LYS " " HG2" 1 0 1 1 78.7 4932 + 4933 41 33.931000 18.815000 21.176000 316 K A 2 "LYS " " HD3" 1 0 1 1 76.13 4933 + 4934 41 32.867000 18.529000 22.523000 316 K A 2 "LYS " " HD2" 1 0 1 1 76.13 4934 + 4935 41 34.561000 20.274000 23.037000 316 K A 2 "LYS " " HE3" 1 0 1 1 82.02 4935 + 4936 41 32.935000 20.902000 23.170000 316 K A 2 "LYS " " HE2" 1 0 1 1 82.02 4936 + 4937 44 33.170000 21.881000 21.024000 316 K A 2 "LYS " " HZ1" 1 0 1 1 83.33 4937 + 4938 44 34.371000 22.389000 22.015000 316 K A 2 "LYS " " HZ2" 1 0 1 1 83.33 4938 + 4939 44 34.699000 21.269000 20.841000 316 K A 2 "LYS " " HZ3" 1 0 1 1 83.33 4939 + 4940 25 31.668000 18.431000 17.000000 317 G A 2 "GLY " " N " 7 0 1 1 62.43 4940 + 4941 3 32.316000 19.019000 15.826000 317 G A 2 "GLY " " CA " 6 0 1 1 56.01 4941 + 4942 2 31.288000 19.311000 14.725000 317 G A 2 "GLY " " C " 6 0 1 1 61.9 4942 + 4943 15 31.295000 20.400000 14.152000 317 G A 2 "GLY " " O " 8 0 1 1 72.72 4943 + 4944 43 31.789000 17.437000 17.138000 317 G A 2 "GLY " " H " 1 0 1 1 62.43 4944 + 4945 41 33.055000 18.315000 15.443000 317 G A 2 "GLY " " HA3" 1 0 1 1 56.01 4945 + 4946 41 32.850000 19.931000 16.098000 317 G A 2 "GLY " " HA2" 1 0 1 1 56.01 4946 + 4947 25 30.384000 18.353000 14.465000 318 A A 2 "ALA " " N " 7 0 0 1 67.46 4947 + 4948 3 29.283000 18.447000 13.507000 318 A A 2 "ALA " " CA " 6 0 0 1 68.6 4948 + 4949 2 28.125000 19.348000 13.965000 318 A A 2 "ALA " " C " 6 0 0 1 69.03 4949 + 4950 15 27.227000 19.583000 13.163000 318 A A 2 "ALA " " O " 8 0 0 1 76.08 4950 + 4951 3 28.770000 17.029000 13.219000 318 A A 2 "ALA " " CB " 6 0 0 1 64.4 4951 + 4952 43 30.442000 17.477000 14.971000 318 A A 2 "ALA " " H " 1 0 0 1 67.46 4952 + 4953 41 29.672000 18.864000 12.577000 318 A A 2 "ALA " " HA " 1 0 0 1 68.6 4953 + 4954 41 27.930000 17.030000 12.524000 318 A A 2 "ALA " " HB1" 1 0 0 1 64.4 4954 + 4955 41 29.556000 16.412000 12.782000 318 A A 2 "ALA " " HB2" 1 0 0 1 64.4 4955 + 4956 41 28.436000 16.537000 14.133000 318 A A 2 "ALA " " HB3" 1 0 0 1 64.4 4956 + 4957 25 28.160000 19.835000 15.218000 319 L A 2 "LEU " " N " 7 0 1 1 63.35 4957 + 4958 3 27.139000 20.651000 15.886000 319 L A 2 "LEU " " CA " 6 0 1 1 64.14 4958 + 4959 2 26.744000 21.936000 15.129000 319 L A 2 "LEU " " C " 6 0 1 1 73.03 4959 + 4960 15 25.580000 22.329000 15.189000 319 L A 2 "LEU " " O " 8 0 1 1 72.71 4960 + 4961 3 27.658000 20.963000 17.307000 319 L A 2 "LEU " " CB " 6 0 1 1 66.71 4961 + 4962 3 26.603000 21.336000 18.366000 319 L A 2 "LEU " " CG " 6 0 1 1 65.8 4962 + 4963 3 25.618000 20.176000 18.629000 319 L A 2 "LEU " " CD1" 6 0 1 1 74.15 4963 + 4964 3 27.309000 21.775000 19.662000 319 L A 2 "LEU " " CD2" 6 0 1 1 80.12 4964 + 4965 43 28.945000 19.580000 15.800000 319 L A 2 "LEU " " H " 1 0 1 1 63.35 4965 + 4966 41 26.251000 20.025000 15.953000 319 L A 2 "LEU " " HA " 1 0 1 1 64.14 4966 + 4967 41 28.409000 21.754000 17.245000 319 L A 2 "LEU " " HB3" 1 0 1 1 66.71 4967 + 4968 41 28.187000 20.094000 17.691000 319 L A 2 "LEU " " HB2" 1 0 1 1 66.71 4968 + 4969 41 26.028000 22.188000 18.003000 319 L A 2 "LEU " " HG " 1 0 1 1 65.8 4969 + 4970 41 25.585000 19.871000 19.675000 319 L A 2 "LEU " "HD11" 1 0 1 1 74.15 4970 + 4971 41 24.603000 20.451000 18.344000 319 L A 2 "LEU " "HD12" 1 0 1 1 74.15 4971 + 4972 41 25.885000 19.285000 18.064000 319 L A 2 "LEU " "HD13" 1 0 1 1 74.15 4972 + 4973 41 26.776000 21.473000 20.563000 319 L A 2 "LEU " "HD21" 1 0 1 1 80.12 4973 + 4974 41 28.319000 21.369000 19.735000 319 L A 2 "LEU " "HD22" 1 0 1 1 80.12 4974 + 4975 41 27.399000 22.858000 19.690000 319 L A 2 "LEU " "HD23" 1 0 1 1 80.12 4975 + 4976 25 27.703000 22.516000 14.384000 320 Q A 2 "GLN " " N " 7 0 1 1 80.86 4976 + 4977 3 27.522000 23.647000 13.468000 320 Q A 2 "GLN " " CA " 6 0 1 1 82.67 4977 + 4978 2 26.557000 23.351000 12.306000 320 Q A 2 "GLN " " C " 6 0 1 1 79.67 4978 + 4979 15 25.862000 24.261000 11.860000 320 Q A 2 "GLN " " O " 8 0 1 1 81.91 4979 + 4980 3 28.885000 24.026000 12.857000 320 Q A 2 "GLN " " CB " 6 0 1 1 94.68 4980 + 4981 3 29.977000 24.422000 13.865000 320 Q A 2 "GLN " " CG " 6 0 1 1 108.88 4981 + 4982 2 31.300000 24.776000 13.180000 320 Q A 2 "GLN " " CD " 6 0 1 1 116.65 4982 + 4983 15 31.517000 24.478000 12.006000 320 Q A 2 "GLN " " OE1" 8 0 1 1 109.53 4983 + 4984 25 32.206000 25.410000 13.924000 320 Q A 2 "GLN " " NE2" 7 0 1 1 117.33 4984 + 4985 43 28.630000 22.115000 14.399000 320 Q A 2 "GLN " " H " 1 0 1 1 80.86 4985 + 4986 41 27.129000 24.491000 14.035000 320 Q A 2 "GLN " " HA " 1 0 1 1 82.67 4986 + 4987 41 28.745000 24.848000 12.152000 320 Q A 2 "GLN " " HB3" 1 0 1 1 94.68 4987 + 4988 41 29.249000 23.184000 12.268000 320 Q A 2 "GLN " " HB2" 1 0 1 1 94.68 4988 + 4989 41 30.165000 23.611000 14.569000 320 Q A 2 "GLN " " HG3" 1 0 1 1 108.88 4989 + 4990 41 29.641000 25.280000 14.448000 320 Q A 2 "GLN " " HG2" 1 0 1 1 108.88 4990 + 4991 43 33.097000 25.665000 13.523000 320 Q A 2 "GLN " "HE22" 1 0 1 1 117.33 4991 + 4992 43 32.008000 25.642000 14.886000 320 Q A 2 "GLN " "HE21" 1 0 1 1 117.33 4992 + 4993 25 26.575000 22.098000 11.826000 321 Y A 2 "TYR " " N " 7 0 1 1 81.57 4993 + 4994 3 25.843000 21.615000 10.658000 321 Y A 2 "TYR " " CA " 6 0 1 1 79.41 4994 + 4995 2 24.547000 20.907000 11.072000 321 Y A 2 "TYR " " C " 6 0 1 1 75.31 4995 + 4996 15 23.541000 21.076000 10.388000 321 Y A 2 "TYR " " O " 8 0 1 1 72.26 4996 + 4997 3 26.736000 20.643000 9.855000 321 Y A 2 "TYR " " CB " 6 0 1 1 86.22 4997 + 4998 2 28.047000 21.229000 9.358000 321 Y A 2 "TYR " " CG " 6 0 1 1 94.05 4998 + 4999 2 29.162000 21.308000 10.219000 321 Y A 2 "TYR " " CD1" 6 0 1 1 98.57 4999 + 5000 2 28.161000 21.684000 8.028000 321 Y A 2 "TYR " " CD2" 6 0 1 1 95.7 5000 + 5001 2 30.371000 21.868000 9.766000 321 Y A 2 "TYR " " CE1" 6 0 1 1 101.07 5001 + 5002 2 29.376000 22.228000 7.568000 321 Y A 2 "TYR " " CE2" 6 0 1 1 101.46 5002 + 5003 2 30.479000 22.328000 8.439000 321 Y A 2 "TYR " " CZ " 6 0 1 1 104.5 5003 + 5004 16 31.651000 22.870000 8.001000 321 Y A 2 "TYR " " OH " 8 0 1 1 112.1 5004 + 5005 43 27.167000 21.415000 12.279000 321 Y A 2 "TYR " " H " 1 0 1 1 81.57 5005 + 5006 41 25.582000 22.455000 10.012000 321 Y A 2 "TYR " " HA " 1 0 1 1 79.41 5006 + 5007 41 26.180000 20.275000 8.992000 321 Y A 2 "TYR " " HB3" 1 0 1 1 86.22 5007 + 5008 41 26.969000 19.760000 10.453000 321 Y A 2 "TYR " " HB2" 1 0 1 1 86.22 5008 + 5009 41 29.092000 20.951000 11.236000 321 Y A 2 "TYR " " HD1" 1 0 1 1 98.57 5009 + 5010 41 27.317000 21.621000 7.358000 321 Y A 2 "TYR " " HD2" 1 0 1 1 95.7 5010 + 5011 41 31.215000 21.942000 10.437000 321 Y A 2 "TYR " " HE1" 1 0 1 1 101.07 5011 + 5012 41 29.453000 22.577000 6.549000 321 Y A 2 "TYR " " HE2" 1 0 1 1 101.46 5012 + 5013 42 31.615000 23.166000 7.088000 321 Y A 2 "TYR " " HH " 1 0 1 1 112.1 5013 + 5014 25 24.590000 20.147000 12.181000 322 L A 2 "LEU " " N " 7 0 1 1 68.73 5014 + 5015 3 23.468000 19.399000 12.745000 322 L A 2 "LEU " " CA " 6 0 1 1 64.63 5015 + 5016 2 22.307000 20.310000 13.158000 322 L A 2 "LEU " " C " 6 0 1 1 70.19 5016 + 5017 15 21.204000 20.120000 12.657000 322 L A 2 "LEU " " O " 8 0 1 1 79.05 5017 + 5018 3 23.943000 18.568000 13.961000 322 L A 2 "LEU " " CB " 6 0 1 1 54.67 5018 + 5019 3 24.769000 17.311000 13.623000 322 L A 2 "LEU " " CG " 6 0 1 1 49.95 5019 + 5020 3 25.400000 16.713000 14.893000 322 L A 2 "LEU " " CD1" 6 0 1 1 57.78 5020 + 5021 3 23.946000 16.258000 12.867000 322 L A 2 "LEU " " CD2" 6 0 1 1 63.75 5021 + 5022 43 25.470000 20.056000 12.675000 322 L A 2 "LEU " " H " 1 0 1 1 68.73 5022 + 5023 41 23.096000 18.734000 11.965000 322 L A 2 "LEU " " HA " 1 0 1 1 64.63 5023 + 5024 41 23.082000 18.245000 14.549000 322 L A 2 "LEU " " HB3" 1 0 1 1 54.67 5024 + 5025 41 24.517000 19.218000 14.623000 322 L A 2 "LEU " " HB2" 1 0 1 1 54.67 5025 + 5026 41 25.585000 17.615000 12.969000 322 L A 2 "LEU " " HG " 1 0 1 1 49.95 5026 + 5027 41 26.251000 16.081000 14.645000 322 L A 2 "LEU " "HD11" 1 0 1 1 57.78 5027 + 5028 41 25.761000 17.490000 15.569000 322 L A 2 "LEU " "HD12" 1 0 1 1 57.78 5028 + 5029 41 24.690000 16.101000 15.451000 322 L A 2 "LEU " "HD13" 1 0 1 1 57.78 5029 + 5030 41 23.827000 15.352000 13.454000 322 L A 2 "LEU " "HD21" 1 0 1 1 63.75 5030 + 5031 41 22.934000 16.598000 12.648000 322 L A 2 "LEU " "HD22" 1 0 1 1 63.75 5031 + 5032 41 24.428000 15.982000 11.929000 322 L A 2 "LEU " "HD23" 1 0 1 1 63.75 5032 + 5033 25 22.583000 21.277000 14.049000 323 V A 2 "VAL " " N " 7 0 1 1 66.18 5033 + 5034 3 21.594000 22.188000 14.629000 323 V A 2 "VAL " " CA " 6 0 1 1 68.65 5034 + 5035 2 20.708000 22.960000 13.618000 323 V A 2 "VAL " " C " 6 0 1 1 69.54 5035 + 5036 15 19.490000 22.873000 13.774000 323 V A 2 "VAL " " O " 8 0 1 1 72.38 5036 + 5037 3 22.248000 23.164000 15.649000 323 V A 2 "VAL " " CB " 6 0 1 1 58.49 5037 + 5038 3 21.362000 24.353000 16.069000 323 V A 2 "VAL " " CG1" 6 0 1 1 58.01 5038 + 5039 3 22.714000 22.402000 16.904000 323 V A 2 "VAL " " CG2" 6 0 1 1 69.6 5039 + 5040 43 23.529000 21.383000 14.388000 323 V A 2 "VAL " " H " 1 0 1 1 66.18 5040 + 5041 41 20.915000 21.546000 15.194000 323 V A 2 "VAL " " HA " 1 0 1 1 68.65 5041 + 5042 41 23.146000 23.585000 15.196000 323 V A 2 "VAL " " HB " 1 0 1 1 58.49 5042 + 5043 41 21.784000 24.851000 16.937000 323 V A 2 "VAL " "HG11" 1 0 1 1 58.01 5043 + 5044 41 21.281000 25.103000 15.282000 323 V A 2 "VAL " "HG12" 1 0 1 1 58.01 5044 + 5045 41 20.356000 24.030000 16.333000 323 V A 2 "VAL " "HG13" 1 0 1 1 58.01 5045 + 5046 41 23.253000 23.056000 17.589000 323 V A 2 "VAL " "HG21" 1 0 1 1 69.6 5046 + 5047 41 21.868000 21.979000 17.447000 323 V A 2 "VAL " "HG22" 1 0 1 1 69.6 5047 + 5048 41 23.384000 21.583000 16.647000 323 V A 2 "VAL " "HG23" 1 0 1 1 69.6 5048 + 5049 25 21.267000 23.646000 12.589000 324 P A 2 "PRO " " N " 7 0 1 1 67.07 5049 + 5050 3 20.432000 24.330000 11.581000 324 P A 2 "PRO " " CA " 6 0 1 1 68.23 5050 + 5051 2 19.559000 23.397000 10.719000 324 P A 2 "PRO " " C " 6 0 1 1 71.93 5051 + 5052 15 18.461000 23.808000 10.350000 324 P A 2 "PRO " " O " 8 0 1 1 68.16 5052 + 5053 3 21.426000 25.147000 10.743000 324 P A 2 "PRO " " CB " 6 0 1 1 57.21 5053 + 5054 3 22.752000 24.433000 10.921000 324 P A 2 "PRO " " CG " 6 0 1 1 67.55 5054 + 5055 3 22.684000 23.938000 12.362000 324 P A 2 "PRO " " CD " 6 0 1 1 67.15 5055 + 5056 41 19.763000 25.026000 12.088000 324 P A 2 "PRO " " HA " 1 0 1 1 68.23 5056 + 5057 41 21.497000 26.155000 11.153000 324 P A 2 "PRO " " HB3" 1 0 1 1 57.21 5057 + 5058 41 21.145000 25.244000 9.693000 324 P A 2 "PRO " " HB2" 1 0 1 1 57.21 5058 + 5059 41 23.611000 25.071000 10.719000 324 P A 2 "PRO " " HG3" 1 0 1 1 67.55 5059 + 5060 41 22.797000 23.583000 10.239000 324 P A 2 "PRO " " HG2" 1 0 1 1 67.55 5060 + 5061 41 23.355000 23.097000 12.506000 324 P A 2 "PRO " " HD2" 1 0 1 1 67.15 5061 + 5062 41 22.989000 24.730000 13.047000 324 P A 2 "PRO " " HD3" 1 0 1 1 67.15 5062 + 5063 25 20.024000 22.161000 10.457000 325 I A 2 "ILE " " N " 7 0 1 1 74.4 5063 + 5064 3 19.250000 21.128000 9.758000 325 I A 2 "ILE " " CA " 6 0 1 1 68.28 5064 + 5065 2 18.103000 20.580000 10.634000 325 I A 2 "ILE " " C " 6 0 1 1 67.37 5065 + 5066 15 16.995000 20.422000 10.123000 325 I A 2 "ILE " " O " 8 0 1 1 59.79 5066 + 5067 3 20.142000 19.940000 9.279000 325 I A 2 "ILE " " CB " 6 0 1 1 68.03 5067 + 5068 3 21.206000 20.406000 8.263000 325 I A 2 "ILE " " CG1" 6 0 1 1 77.03 5068 + 5069 3 19.357000 18.746000 8.682000 325 I A 2 "ILE " " CG2" 6 0 1 1 56.96 5069 + 5070 3 22.353000 19.398000 8.081000 325 I A 2 "ILE " " CD1" 6 0 1 1 69.55 5070 + 5071 43 20.935000 21.884000 10.795000 325 I A 2 "ILE " " H " 1 0 1 1 74.4 5071 + 5072 41 18.802000 21.586000 8.874000 325 I A 2 "ILE " " HA " 1 0 1 1 68.28 5072 + 5073 41 20.676000 19.563000 10.152000 325 I A 2 "ILE " " HB " 1 0 1 1 68.03 5073 + 5074 41 21.639000 21.360000 8.563000 325 I A 2 "ILE " "HG13" 1 0 1 1 77.03 5074 + 5075 41 20.727000 20.595000 7.303000 325 I A 2 "ILE " "HG12" 1 0 1 1 77.03 5075 + 5076 41 20.032000 17.974000 8.314000 325 I A 2 "ILE " "HG21" 1 0 1 1 56.96 5076 + 5077 41 18.716000 18.257000 9.415000 325 I A 2 "ILE " "HG22" 1 0 1 1 56.96 5077 + 5078 41 18.733000 19.059000 7.844000 325 I A 2 "ILE " "HG23" 1 0 1 1 56.96 5078 + 5079 41 23.236000 19.886000 7.668000 325 I A 2 "ILE " "HD11" 1 0 1 1 69.55 5079 + 5080 41 22.645000 18.946000 9.028000 325 I A 2 "ILE " "HD12" 1 0 1 1 69.55 5080 + 5081 41 22.069000 18.589000 7.409000 325 I A 2 "ILE " "HD13" 1 0 1 1 69.55 5081 + 5082 25 18.381000 20.322000 11.925000 326 L A 2 "LEU " " N " 7 0 1 1 61.11 5082 + 5083 3 17.418000 19.808000 12.902000 326 L A 2 "LEU " " CA " 6 0 1 1 62.72 5083 + 5084 2 16.301000 20.812000 13.217000 326 L A 2 "LEU " " C " 6 0 1 1 68.13 5084 + 5085 15 15.137000 20.428000 13.153000 326 L A 2 "LEU " " O " 8 0 1 1 77.41 5085 + 5086 3 18.134000 19.384000 14.203000 326 L A 2 "LEU " " CB " 6 0 1 1 56.89 5086 + 5087 3 18.992000 18.107000 14.084000 326 L A 2 "LEU " " CG " 6 0 1 1 64.22 5087 + 5088 3 19.819000 17.892000 15.361000 326 L A 2 "LEU " " CD1" 6 0 1 1 72.65 5088 + 5089 3 18.178000 16.855000 13.709000 326 L A 2 "LEU " " CD2" 6 0 1 1 58.01 5089 + 5090 43 19.325000 20.463000 12.264000 326 L A 2 "LEU " " H " 1 0 1 1 61.11 5090 + 5091 41 16.940000 18.934000 12.458000 326 L A 2 "LEU " " HA " 1 0 1 1 62.72 5091 + 5092 41 17.395000 19.215000 14.989000 326 L A 2 "LEU " " HB3" 1 0 1 1 56.89 5092 + 5093 41 18.750000 20.214000 14.551000 326 L A 2 "LEU " " HB2" 1 0 1 1 56.89 5093 + 5094 41 19.704000 18.259000 13.276000 326 L A 2 "LEU " " HG " 1 0 1 1 64.22 5094 + 5095 41 20.784000 17.455000 15.107000 326 L A 2 "LEU " "HD11" 1 0 1 1 72.65 5095 + 5096 41 20.015000 18.828000 15.886000 326 L A 2 "LEU " "HD12" 1 0 1 1 72.65 5096 + 5097 41 19.322000 17.226000 16.066000 326 L A 2 "LEU " "HD13" 1 0 1 1 72.65 5097 + 5098 41 18.403000 16.002000 14.347000 326 L A 2 "LEU " "HD21" 1 0 1 1 58.01 5098 + 5099 41 17.109000 17.036000 13.775000 326 L A 2 "LEU " "HD22" 1 0 1 1 58.01 5099 + 5100 41 18.392000 16.549000 12.684000 326 L A 2 "LEU " "HD23" 1 0 1 1 58.01 5100 + 5101 25 16.663000 22.072000 13.512000 327 T A 2 "THR " " N " 7 0 1 1 67.03 5101 + 5102 3 15.717000 23.165000 13.769000 327 T A 2 "THR " " CA " 6 0 1 1 66.33 5102 + 5103 2 14.881000 23.556000 12.528000 327 T A 2 "THR " " C " 6 0 1 1 65.65 5103 + 5104 15 13.732000 23.961000 12.702000 327 T A 2 "THR " " O " 8 0 1 1 60.52 5104 + 5105 3 16.430000 24.435000 14.298000 327 T A 2 "THR " " CB " 6 0 1 1 68.37 5105 + 5106 16 17.369000 24.945000 13.370000 327 T A 2 "THR " " OG1" 8 0 1 1 65.33 5106 + 5107 3 17.114000 24.240000 15.661000 327 T A 2 "THR " " CG2" 6 0 1 1 54.41 5107 + 5108 43 17.645000 22.313000 13.546000 327 T A 2 "THR " " H " 1 0 1 1 67.03 5108 + 5109 41 15.019000 22.825000 14.534000 327 T A 2 "THR " " HA " 1 0 1 1 66.33 5109 + 5110 41 15.678000 25.209000 14.431000 327 T A 2 "THR " " HB " 1 0 1 1 68.37 5110 + 5111 42 18.145000 24.377000 13.380000 327 T A 2 "THR " " HG1" 1 0 1 1 65.33 5111 + 5112 41 17.616000 25.154000 15.983000 327 T A 2 "THR " "HG21" 1 0 1 1 54.41 5112 + 5113 41 16.379000 23.988000 16.426000 327 T A 2 "THR " "HG22" 1 0 1 1 54.41 5113 + 5114 41 17.853000 23.441000 15.648000 327 T A 2 "THR " "HG23" 1 0 1 1 54.41 5114 + 5115 25 15.421000 23.364000 11.310000 328 Q A 2 "GLN " " N " 7 0 1 1 64.17 5115 + 5116 3 14.662000 23.462000 10.060000 328 Q A 2 "GLN " " CA " 6 0 1 1 65.23 5116 + 5117 2 13.683000 22.287000 9.875000 328 Q A 2 "GLN " " C " 6 0 1 1 63.94 5117 + 5118 15 12.596000 22.496000 9.347000 328 Q A 2 "GLN " " O " 8 0 1 1 58.31 5118 + 5119 3 15.633000 23.605000 8.864000 328 Q A 2 "GLN " " CB " 6 0 1 1 66.51 5119 + 5120 3 14.992000 23.630000 7.456000 328 Q A 2 "GLN " " CG " 6 0 1 1 70.98 5120 + 5121 2 13.976000 24.762000 7.271000 328 Q A 2 "GLN " " CD " 6 0 1 1 86.8 5121 + 5122 15 14.303000 25.929000 7.474000 328 Q A 2 "GLN " " OE1" 8 0 1 1 87.25 5122 + 5123 25 12.747000 24.430000 6.871000 328 Q A 2 "GLN " " NE2" 7 0 1 1 97.03 5123 + 5124 43 16.383000 23.066000 11.229000 328 Q A 2 "GLN " " H " 1 0 1 1 64.17 5124 + 5125 41 14.065000 24.375000 10.113000 328 Q A 2 "GLN " " HA " 1 0 1 1 65.23 5125 + 5126 41 16.360000 22.793000 8.891000 328 Q A 2 "GLN " " HB3" 1 0 1 1 66.51 5126 + 5127 41 16.212000 24.521000 8.996000 328 Q A 2 "GLN " " HB2" 1 0 1 1 66.51 5127 + 5128 41 14.529000 22.669000 7.229000 328 Q A 2 "GLN " " HG3" 1 0 1 1 70.98 5128 + 5129 41 15.777000 23.763000 6.710000 328 Q A 2 "GLN " " HG2" 1 0 1 1 70.98 5129 + 5130 43 12.052000 25.152000 6.737000 328 Q A 2 "GLN " "HE22" 1 0 1 1 97.03 5130 + 5131 43 12.494000 23.464000 6.726000 328 Q A 2 "GLN " "HE21" 1 0 1 1 97.03 5131 + 5132 25 14.055000 21.078000 10.322000 329 T A 2 "THR " " N " 7 0 1 1 58.32 5132 + 5133 3 13.184000 19.900000 10.279000 329 T A 2 "THR " " CA " 6 0 1 1 54.96 5133 + 5134 2 12.039000 19.962000 11.322000 329 T A 2 "THR " " C " 6 0 1 1 61.16 5134 + 5135 15 11.001000 19.339000 11.100000 329 T A 2 "THR " " O " 8 0 1 1 67.43 5135 + 5136 3 14.001000 18.590000 10.431000 329 T A 2 "THR " " CB " 6 0 1 1 60.54 5136 + 5137 16 14.936000 18.512000 9.373000 329 T A 2 "THR " " OG1" 8 0 1 1 66.51 5137 + 5138 3 13.185000 17.292000 10.395000 329 T A 2 "THR " " CG2" 6 0 1 1 49.5 5138 + 5139 43 14.962000 20.956000 10.750000 329 T A 2 "THR " " H " 1 0 1 1 58.32 5139 + 5140 41 12.708000 19.874000 9.296000 329 T A 2 "THR " " HA " 1 0 1 1 54.96 5140 + 5141 41 14.570000 18.614000 11.360000 329 T A 2 "THR " " HB " 1 0 1 1 60.54 5141 + 5142 42 15.598000 19.199000 9.500000 329 T A 2 "THR " " HG1" 1 0 1 1 66.51 5142 + 5143 41 13.835000 16.416000 10.378000 329 T A 2 "THR " "HG21" 1 0 1 1 49.5 5143 + 5144 41 12.557000 17.206000 11.277000 329 T A 2 "THR " "HG22" 1 0 1 1 49.5 5144 + 5145 41 12.542000 17.248000 9.515000 329 T A 2 "THR " "HG23" 1 0 1 1 49.5 5145 + 5146 25 12.195000 20.790000 12.376000 330 L A 2 "LEU " " N " 7 0 0 1 65.97 5146 + 5147 3 11.124000 21.154000 13.312000 330 L A 2 "LEU " " CA " 6 0 0 1 67.62 5147 + 5148 2 10.024000 22.047000 12.693000 330 L A 2 "LEU " " C " 6 0 0 1 71.46 5148 + 5149 15 9.004000 22.217000 13.351000 330 L A 2 "LEU " " O " 8 0 0 1 75.98 5149 + 5150 3 11.698000 21.826000 14.584000 330 L A 2 "LEU " " CB " 6 0 0 1 64.16 5150 + 5151 3 12.577000 20.937000 15.490000 330 L A 2 "LEU " " CG " 6 0 0 1 62.58 5151 + 5152 3 13.236000 21.785000 16.600000 330 L A 2 "LEU " " CD1" 6 0 0 1 64.59 5152 + 5153 3 11.814000 19.719000 16.053000 330 L A 2 "LEU " " CD2" 6 0 0 1 67.04 5153 + 5154 43 13.078000 21.264000 12.507000 330 L A 2 "LEU " " H " 1 0 0 1 65.97 5154 + 5155 41 10.634000 20.230000 13.613000 330 L A 2 "LEU " " HA " 1 0 0 1 67.62 5155 + 5156 41 10.880000 22.203000 15.199000 330 L A 2 "LEU " " HB3" 1 0 0 1 64.16 5156 + 5157 41 12.267000 22.705000 14.291000 330 L A 2 "LEU " " HB2" 1 0 0 1 64.16 5157 + 5158 41 13.386000 20.540000 14.884000 330 L A 2 "LEU " " HG " 1 0 0 1 62.58 5158 + 5159 41 14.319000 21.766000 16.499000 330 L A 2 "LEU " "HD11" 1 0 0 1 64.59 5159 + 5160 41 12.932000 22.831000 16.555000 330 L A 2 "LEU " "HD12" 1 0 0 1 64.59 5160 + 5161 41 13.002000 21.435000 17.605000 330 L A 2 "LEU " "HD13" 1 0 0 1 64.59 5161 + 5162 41 11.990000 19.561000 17.116000 330 L A 2 "LEU " "HD21" 1 0 0 1 67.04 5162 + 5163 41 10.736000 19.812000 15.922000 330 L A 2 "LEU " "HD22" 1 0 0 1 67.04 5163 + 5164 41 12.126000 18.808000 15.544000 330 L A 2 "LEU " "HD23" 1 0 0 1 67.04 5164 + 5165 25 10.216000 22.582000 11.471000 331 T A 2 "THR " " N " 7 0 0 1 74.66 5165 + 5166 3 9.188000 23.295000 10.692000 331 T A 2 "THR " " CA " 6 0 0 1 76.98 5166 + 5167 2 8.283000 22.322000 9.905000 331 T A 2 "THR " " C " 6 0 0 1 87.84 5167 + 5168 15 7.133000 22.661000 9.624000 331 T A 2 "THR " " O " 8 0 0 1 92.8 5168 + 5169 3 9.848000 24.246000 9.651000 331 T A 2 "THR " " CB " 6 0 0 1 71.37 5169 + 5170 16 10.558000 25.254000 10.343000 331 T A 2 "THR " " OG1" 8 0 0 1 81.15 5170 + 5171 3 8.937000 24.935000 8.617000 331 T A 2 "THR " " CG2" 6 0 0 1 68.79 5171 + 5172 43 11.094000 22.422000 10.998000 331 T A 2 "THR " " H " 1 0 0 1 74.66 5172 + 5173 41 8.559000 23.882000 11.364000 331 T A 2 "THR " " HA " 1 0 0 1 76.98 5173 + 5174 41 10.565000 23.683000 9.064000 331 T A 2 "THR " " HB " 1 0 0 1 71.37 5174 + 5175 42 11.236000 24.837000 10.881000 331 T A 2 "THR " " HG1" 1 0 0 1 81.15 5175 + 5176 41 9.535000 25.549000 7.947000 331 T A 2 "THR " "HG21" 1 0 0 1 68.79 5176 + 5177 41 8.407000 24.231000 7.977000 331 T A 2 "THR " "HG22" 1 0 0 1 68.79 5177 + 5178 41 8.205000 25.581000 9.099000 331 T A 2 "THR " "HG23" 1 0 0 1 68.79 5178 + 5179 25 8.811000 21.138000 9.555000 332 K A 2 "LYS " " N " 7 0 0 1 96.68 5179 + 5180 3 8.155000 20.129000 8.720000 332 K A 2 "LYS " " CA " 6 0 0 1 98.96 5180 + 5181 2 7.191000 19.243000 9.544000 332 K A 2 "LYS " " C " 6 0 0 1 102.47 5181 + 5182 15 7.235000 18.018000 9.419000 332 K A 2 "LYS " " O " 8 0 0 1 104.72 5182 + 5183 3 9.244000 19.299000 7.993000 332 K A 2 "LYS " " CB " 6 0 0 1 99.41 5183 + 5184 3 10.238000 20.122000 7.149000 332 K A 2 "LYS " " CG " 6 0 0 1 105.9 5184 + 5185 3 11.328000 19.238000 6.521000 332 K A 2 "LYS " " CD " 6 0 0 1 116.27 5185 + 5186 3 12.422000 20.043000 5.804000 332 K A 2 "LYS " " CE " 6 0 0 1 125.48 5186 + 5187 32 13.459000 19.156000 5.248000 332 K A 2 "LYS " " NZ " 7 1 0 1 126.81 5187 + 5188 43 9.747000 20.908000 9.860000 332 K A 2 "LYS " " H " 1 0 0 1 96.68 5188 + 5189 41 7.555000 20.632000 7.960000 332 K A 2 "LYS " " HA " 1 0 0 1 98.96 5189 + 5190 41 8.768000 18.561000 7.345000 332 K A 2 "LYS " " HB3" 1 0 0 1 99.41 5190 + 5191 41 9.808000 18.728000 8.733000 332 K A 2 "LYS " " HB2" 1 0 0 1 99.41 5191 + 5192 41 10.718000 20.879000 7.770000 332 K A 2 "LYS " " HG3" 1 0 0 1 105.9 5192 + 5193 41 9.701000 20.661000 6.368000 332 K A 2 "LYS " " HG2" 1 0 0 1 105.9 5193 + 5194 41 10.865000 18.546000 5.817000 332 K A 2 "LYS " " HD3" 1 0 0 1 116.27 5194 + 5195 41 11.784000 18.620000 7.297000 332 K A 2 "LYS " " HD2" 1 0 0 1 116.27 5195 + 5196 41 12.894000 20.739000 6.499000 332 K A 2 "LYS " " HE3" 1 0 0 1 125.48 5196 + 5197 41 11.989000 20.634000 4.996000 332 K A 2 "LYS " " HE2" 1 0 0 1 125.48 5197 + 5198 44 13.888000 18.623000 5.992000 332 K A 2 "LYS " " HZ1" 1 0 0 1 126.81 5198 + 5199 44 13.040000 18.523000 4.582000 332 K A 2 "LYS " " HZ2" 1 0 0 1 126.81 5199 + 5200 44 14.165000 19.707000 4.780000 332 K A 2 "LYS " " HZ3" 1 0 0 1 126.81 5200 + 5201 25 6.341000 19.868000 10.382000 333 Q A 2 "GLN " " N " 7 0 0 1 107.58 5201 + 5202 3 5.371000 19.181000 11.241000 333 Q A 2 "GLN " " CA " 6 0 0 1 111.12 5202 + 5203 2 4.143000 18.795000 10.411000 333 Q A 2 "GLN " " C " 6 0 0 1 112.63 5203 + 5204 15 3.658000 19.618000 9.635000 333 Q A 2 "GLN " " O " 8 0 0 1 114.11 5204 + 5205 3 4.882000 20.087000 12.399000 333 Q A 2 "GLN " " CB " 6 0 0 1 113.55 5205 + 5206 3 5.948000 20.964000 13.083000 333 Q A 2 "GLN " " CG " 6 0 0 1 125.74 5206 + 5207 2 5.740000 22.464000 12.868000 333 Q A 2 "GLN " " CD " 6 0 0 1 124.8 5207 + 5208 15 5.096000 22.905000 11.918000 333 Q A 2 "GLN " " OE1" 8 0 0 1 130.94 5208 + 5209 25 6.325000 23.264000 13.750000 333 Q A 2 "GLN " " NE2" 7 0 0 1 134.92 5209 + 5210 43 6.348000 20.877000 10.439000 333 Q A 2 "GLN " " H " 1 0 0 1 107.58 5210 + 5211 41 5.837000 18.288000 11.664000 333 Q A 2 "GLN " " HA " 1 0 0 1 111.12 5211 + 5212 41 4.457000 19.430000 13.160000 333 Q A 2 "GLN " " HB3" 1 0 0 1 113.55 5212 + 5213 41 4.029000 20.693000 12.087000 333 Q A 2 "GLN " " HB2" 1 0 0 1 113.55 5213 + 5214 41 6.952000 20.697000 12.761000 333 Q A 2 "GLN " " HG3" 1 0 0 1 125.74 5214 + 5215 41 5.922000 20.774000 14.158000 333 Q A 2 "GLN " " HG2" 1 0 0 1 125.74 5215 + 5216 43 6.282000 24.267000 13.645000 333 Q A 2 "GLN " "HE22" 1 0 0 1 134.92 5216 + 5217 43 6.818000 22.875000 14.543000 333 Q A 2 "GLN " "HE21" 1 0 0 1 134.92 5217 + 5218 25 3.617000 17.586000 10.647000 334 D A 2 "ASP " " N " 7 0 0 1 119.35 5218 + 5219 3 2.349000 17.139000 10.075000 334 D A 2 "ASP " " CA " 6 0 0 1 128.56 5219 + 5220 2 1.200000 17.838000 10.835000 334 D A 2 "ASP " " C " 6 0 0 1 135.42 5220 + 5221 15 1.079000 17.650000 12.047000 334 D A 2 "ASP " " O " 8 0 0 1 134.72 5221 + 5222 3 2.244000 15.596000 10.131000 334 D A 2 "ASP " " CB " 6 0 0 1 126.27 5222 + 5223 2 1.136000 15.007000 9.251000 334 D A 2 "ASP " " CG " 6 0 0 1 127.63 5223 + 5224 15 0.786000 15.643000 8.232000 334 D A 2 "ASP " " OD1" 8 0 0 1 134.05 5224 + 5225 18 0.696000 13.885000 9.577000 334 D A 2 "ASP " " OD2" 8 -1 0 1 122.65 5225 + 5226 43 4.045000 16.965000 11.317000 334 D A 2 "ASP " " H " 1 0 0 1 119.35 5226 + 5227 41 2.330000 17.456000 9.030000 334 D A 2 "ASP " " HA " 1 0 0 1 128.56 5227 + 5228 41 2.059000 15.285000 11.161000 334 D A 2 "ASP " " HB3" 1 0 0 1 126.27 5228 + 5229 41 3.188000 15.144000 9.825000 334 D A 2 "ASP " " HB2" 1 0 0 1 126.27 5229 + 5230 25 0.421000 18.664000 10.113000 335 E A 2 "GLU " " N " 7 0 0 1 142.35 5230 + 5231 3 -0.654000 19.519000 10.638000 335 E A 2 "GLU " " CA " 6 0 0 1 144.87 5231 + 5232 2 -1.814000 18.737000 11.276000 335 E A 2 "GLU " " C " 6 0 0 1 146.6 5232 + 5233 15 -2.127000 18.993000 12.439000 335 E A 2 "GLU " " O " 8 0 0 1 145.38 5233 + 5234 3 -1.160000 20.548000 9.593000 335 E A 2 "GLU " " CB " 6 0 0 1 148.11 5234 + 5235 3 -1.189000 20.093000 8.117000 335 E A 2 "GLU " " CG " 6 0 0 1 156.45 5235 + 5236 2 0.177000 20.219000 7.437000 335 E A 2 "GLU " " CD " 6 0 0 1 158.55 5236 + 5237 15 0.597000 21.376000 7.217000 335 E A 2 "GLU " " OE1" 8 0 0 1 163.28 5237 + 5238 18 0.795000 19.165000 7.178000 335 E A 2 "GLU " " OE2" 8 -1 0 1 156.63 5238 + 5239 43 0.592000 18.738000 9.117000 335 E A 2 "GLU " " H " 1 0 0 1 142.35 5239 + 5240 41 -0.211000 20.098000 11.451000 335 E A 2 "GLU " " HA " 1 0 0 1 144.87 5240 + 5241 41 -0.561000 21.455000 9.682000 335 E A 2 "GLU " " HB3" 1 0 0 1 148.11 5241 + 5242 41 -2.168000 20.869000 9.862000 335 E A 2 "GLU " " HB2" 1 0 0 1 148.11 5242 + 5243 41 -1.887000 20.719000 7.561000 335 E A 2 "GLU " " HG3" 1 0 0 1 156.45 5243 + 5244 41 -1.563000 19.072000 8.030000 335 E A 2 "GLU " " HG2" 1 0 0 1 156.45 5244 + 5245 25 -2.377000 17.757000 10.542000 336 N A 2 "ASN " " N " 7 0 0 1 148.95 5245 + 5246 3 -3.144000 16.662000 11.151000 336 N A 2 "ASN " " CA " 6 0 0 1 149.26 5246 + 5247 2 -2.153000 15.770000 11.918000 336 N A 2 "ASN " " C " 6 0 0 1 152.64 5247 + 5248 15 -1.054000 15.548000 11.415000 336 N A 2 "ASN " " O " 8 0 0 1 154.14 5248 + 5249 3 -3.978000 15.886000 10.095000 336 N A 2 "ASN " " CB " 6 0 0 1 145.5 5249 + 5250 2 -3.176000 15.078000 9.064000 336 N A 2 "ASN " " CG " 6 0 0 1 146.17 5250 + 5251 15 -2.878000 15.577000 7.982000 336 N A 2 "ASN " " OD1" 8 0 0 1 141.58 5251 + 5252 25 -2.834000 13.828000 9.390000 336 N A 2 "ASN " " ND2" 7 0 0 1 145.73 5252 + 5253 43 -2.052000 17.595000 9.599000 336 N A 2 "ASN " " H " 1 0 0 1 148.95 5253 + 5254 41 -3.844000 17.073000 11.881000 336 N A 2 "ASN " " HA " 1 0 0 1 149.26 5254 + 5255 41 -4.629000 16.581000 9.562000 336 N A 2 "ASN " " HB3" 1 0 0 1 145.5 5255 + 5256 41 -4.647000 15.195000 10.611000 336 N A 2 "ASN " " HB2" 1 0 0 1 145.5 5256 + 5257 43 -2.257000 13.287000 8.761000 336 N A 2 "ASN " "HD22" 1 0 0 1 145.73 5257 + 5258 43 -3.061000 13.447000 10.297000 336 N A 2 "ASN " "HD21" 1 0 0 1 145.73 5258 + 5259 25 -2.508000 15.328000 13.130000 337 D A 2 "ASP " " N " 7 0 0 1 156.05 5259 + 5260 3 -1.532000 14.749000 14.056000 337 D A 2 "ASP " " CA " 6 0 0 1 159 5260 + 5261 2 -0.912000 13.425000 13.559000 337 D A 2 "ASP " " C " 6 0 0 1 160.3 5261 + 5262 15 -1.629000 12.444000 13.364000 337 D A 2 "ASP " " O " 8 0 0 1 162.03 5262 + 5263 3 -2.044000 14.598000 15.510000 337 D A 2 "ASP " " CB " 6 0 0 1 160.74 5263 + 5264 2 -3.422000 13.949000 15.678000 337 D A 2 "ASP " " CG " 6 0 0 1 162.75 5264 + 5265 15 -4.409000 14.527000 15.170000 337 D A 2 "ASP " " OD1" 8 0 0 1 166.44 5265 + 5266 18 -3.469000 12.910000 16.371000 337 D A 2 "ASP " " OD2" 8 -1 0 1 160.61 5266 + 5267 43 -3.434000 15.490000 13.504000 337 D A 2 "ASP " " H " 1 0 0 1 156.05 5267 + 5268 41 -0.722000 15.481000 14.114000 337 D A 2 "ASP " " HA " 1 0 0 1 159 5268 + 5269 41 -2.076000 15.571000 16.001000 337 D A 2 "ASP " " HB3" 1 0 0 1 160.74 5269 + 5270 41 -1.319000 14.033000 16.095000 337 D A 2 "ASP " " HB2" 1 0 0 1 160.74 5270 + 5271 25 0.429000 13.431000 13.470000 338 D A 2 "ASP " " N " 7 0 0 1 161.32 5271 + 5272 3 1.306000 12.274000 13.658000 338 D A 2 "ASP " " CA " 6 0 0 1 162.23 5272 + 5273 2 1.766000 12.294000 15.127000 338 D A 2 "ASP " " C " 6 0 0 1 161.9 5273 + 5274 15 2.951000 12.502000 15.383000 338 D A 2 "ASP " " O " 8 0 0 1 163.13 5274 + 5275 3 2.531000 12.263000 12.690000 338 D A 2 "ASP " " CB " 6 0 0 1 159.94 5275 + 5276 2 2.316000 11.665000 11.301000 338 D A 2 "ASP " " CG " 6 0 0 1 156.78 5276 + 5277 15 3.266000 11.806000 10.499000 338 D A 2 "ASP " " OD1" 8 0 0 1 155.56 5277 + 5278 18 1.295000 10.972000 11.101000 338 D A 2 "ASP " " OD2" 8 -1 0 1 150.68 5278 + 5279 43 0.899000 14.319000 13.559000 338 D A 2 "ASP " " H " 1 0 0 1 161.32 5279 + 5280 41 0.729000 11.357000 13.526000 338 D A 2 "ASP " " HA " 1 0 0 1 162.23 5280 + 5281 41 3.363000 11.702000 13.115000 338 D A 2 "ASP " " HB3" 1 0 0 1 159.94 5281 + 5282 41 2.872000 13.291000 12.555000 338 D A 2 "ASP " " HB2" 1 0 0 1 159.94 5282 + 5283 25 0.804000 12.136000 16.061000 339 D A 2 "ASP " " N " 7 0 0 1 160.39 5283 + 5284 3 0.951000 12.263000 17.520000 339 D A 2 "ASP " " CA " 6 0 0 1 159.22 5284 + 5285 2 2.192000 11.520000 18.053000 339 D A 2 "ASP " " C " 6 0 0 1 161.46 5285 + 5286 15 3.204000 12.158000 18.354000 339 D A 2 "ASP " " O " 8 0 0 1 161.86 5286 + 5287 3 -0.363000 11.856000 18.248000 339 D A 2 "ASP " " CB " 6 0 0 1 155.94 5287 + 5288 2 -0.340000 11.900000 19.786000 339 D A 2 "ASP " " CG " 6 0 0 1 155.22 5288 + 5289 15 -1.252000 11.278000 20.373000 339 D A 2 "ASP " " OD1" 8 0 0 1 152.43 5289 + 5290 18 0.536000 12.590000 20.354000 339 D A 2 "ASP " " OD2" 8 -1 0 1 156.72 5290 + 5291 43 -0.140000 11.965000 15.743000 339 D A 2 "ASP " " H " 1 0 0 1 160.39 5291 + 5292 41 1.113000 13.326000 17.711000 339 D A 2 "ASP " " HA " 1 0 0 1 159.22 5292 + 5293 41 -0.627000 10.842000 17.945000 339 D A 2 "ASP " " HB3" 1 0 0 1 155.94 5293 + 5294 41 -1.170000 12.510000 17.916000 339 D A 2 "ASP " " HB2" 1 0 0 1 155.94 5294 + 5295 25 2.086000 10.186000 18.110000 340 D A 2 "ASP " " N " 7 0 0 1 161.12 5295 + 5296 3 3.190000 9.280000 18.405000 340 D A 2 "ASP " " CA " 6 0 0 1 158.53 5296 + 5297 2 3.987000 8.952000 17.129000 340 D A 2 "ASP " " C " 6 0 0 1 154.88 5297 + 5298 15 5.182000 8.679000 17.257000 340 D A 2 "ASP " " O " 8 0 0 1 154.36 5298 + 5299 3 2.750000 7.964000 19.090000 340 D A 2 "ASP " " CB " 6 0 0 1 160.05 5299 + 5300 2 1.696000 7.127000 18.348000 340 D A 2 "ASP " " CG " 6 0 0 1 160.06 5300 + 5301 15 0.787000 7.720000 17.726000 340 D A 2 "ASP " " OD1" 8 0 0 1 157.33 5301 + 5302 18 1.792000 5.888000 18.475000 340 D A 2 "ASP " " OD2" 8 -1 0 1 163.87 5302 + 5303 43 1.214000 9.734000 17.861000 340 D A 2 "ASP " " H " 1 0 0 1 161.12 5303 + 5304 41 3.865000 9.782000 19.098000 340 D A 2 "ASP " " HA " 1 0 0 1 158.53 5304 + 5305 41 2.358000 8.185000 20.084000 340 D A 2 "ASP " " HB3" 1 0 0 1 160.05 5305 + 5306 41 3.633000 7.342000 19.244000 340 D A 2 "ASP " " HB2" 1 0 0 1 160.05 5306 + 5307 25 3.321000 8.965000 15.951000 341 D A 2 "ASP " " N " 7 0 0 1 146.98 5307 + 5308 3 3.888000 8.630000 14.638000 341 D A 2 "ASP " " CA " 6 0 0 1 136.22 5308 + 5309 2 5.230000 9.304000 14.352000 341 D A 2 "ASP " " C " 6 0 0 1 124.1 5309 + 5310 15 5.375000 10.520000 14.491000 341 D A 2 "ASP " " O " 8 0 0 1 114.68 5310 + 5311 3 2.934000 8.829000 13.435000 341 D A 2 "ASP " " CB " 6 0 0 1 141.49 5311 + 5312 2 2.040000 7.636000 13.093000 341 D A 2 "ASP " " CG " 6 0 0 1 144.03 5312 + 5313 15 1.765000 6.816000 13.994000 341 D A 2 "ASP " " OD1" 8 0 0 1 142.16 5313 + 5314 18 1.626000 7.579000 11.915000 341 D A 2 "ASP " " OD2" 8 -1 0 1 144.63 5314 + 5315 43 2.332000 9.168000 15.957000 341 D A 2 "ASP " " H " 1 0 0 1 146.98 5315 + 5316 41 4.094000 7.559000 14.718000 341 D A 2 "ASP " " HA " 1 0 0 1 136.22 5316 + 5317 41 3.502000 9.078000 12.536000 341 D A 2 "ASP " " HB3" 1 0 0 1 141.49 5317 + 5318 41 2.272000 9.664000 13.641000 341 D A 2 "ASP " " HB2" 1 0 0 1 141.49 5318 + 5319 25 6.185000 8.441000 13.992000 342 W A 2 "TRP " " N " 7 0 0 1 110.88 5319 + 5320 3 7.594000 8.753000 13.902000 342 W A 2 "TRP " " CA " 6 0 0 1 99.87 5320 + 5321 2 7.923000 9.318000 12.517000 342 W A 2 "TRP " " C " 6 0 0 1 95.84 5321 + 5322 15 8.323000 8.577000 11.619000 342 W A 2 "TRP " " O " 8 0 0 1 97.02 5322 + 5323 3 8.374000 7.476000 14.261000 342 W A 2 "TRP " " CB " 6 0 0 1 93.33 5323 + 5324 2 9.808000 7.709000 14.603000 342 W A 2 "TRP " " CG " 6 0 0 1 85.72 5324 + 5325 2 10.885000 7.315000 13.888000 342 W A 2 "TRP " " CD1" 6 0 0 1 88.28 5325 + 5326 2 10.327000 8.447000 15.747000 342 W A 2 "TRP " " CD2" 6 0 0 1 86.06 5326 + 5327 25 12.034000 7.739000 14.525000 342 W A 2 "TRP " " NE1" 7 0 0 1 76.47 5327 + 5328 2 11.751000 8.446000 15.676000 342 W A 2 "TRP " " CE2" 6 0 0 1 83.82 5328 + 5329 2 9.734000 9.114000 16.844000 342 W A 2 "TRP " " CE3" 6 0 0 1 92.15 5329 + 5330 2 12.546000 9.075000 16.649000 342 W A 2 "TRP " " CZ2" 6 0 0 1 94.09 5330 + 5331 2 10.519000 9.758000 17.819000 342 W A 2 "TRP " " CZ3" 6 0 0 1 100.62 5331 + 5332 2 11.924000 9.735000 17.723000 342 W A 2 "TRP " " CH2" 6 0 0 1 98.91 5332 + 5333 43 5.944000 7.467000 13.878000 342 W A 2 "TRP " " H " 1 0 0 1 110.88 5333 + 5334 41 7.821000 9.512000 14.654000 342 W A 2 "TRP " " HA " 1 0 0 1 99.87 5334 + 5335 41 8.292000 6.720000 13.478000 342 W A 2 "TRP " " HB3" 1 0 0 1 93.33 5335 + 5336 41 7.931000 7.026000 15.151000 342 W A 2 "TRP " " HB2" 1 0 0 1 93.33 5336 + 5337 41 10.836000 6.757000 12.964000 342 W A 2 "TRP " " HD1" 1 0 0 1 88.28 5337 + 5338 43 12.958000 7.544000 14.166000 342 W A 2 "TRP " " HE1" 1 0 0 1 76.47 5338 + 5339 41 8.659000 9.114000 16.937000 342 W A 2 "TRP " " HE3" 1 0 0 1 92.15 5339 + 5340 41 13.623000 9.058000 16.570000 342 W A 2 "TRP " " HZ2" 1 0 0 1 94.09 5340 + 5341 41 10.046000 10.257000 18.652000 342 W A 2 "TRP " " HZ3" 1 0 0 1 100.62 5341 + 5342 41 12.528000 10.223000 18.471000 342 W A 2 "TRP " " HH2" 1 0 0 1 98.91 5342 + 5343 25 7.728000 10.635000 12.390000 343 N A 2 "ASN " " N " 7 0 0 1 87.71 5343 + 5344 3 8.118000 11.438000 11.234000 343 N A 2 "ASN " " CA " 6 0 0 1 81.07 5344 + 5345 2 9.484000 12.119000 11.510000 343 N A 2 "ASN " " C " 6 0 0 1 78.64 5345 + 5346 15 9.939000 12.095000 12.658000 343 N A 2 "ASN " " O " 8 0 0 1 81.73 5346 + 5347 3 6.958000 12.411000 10.876000 343 N A 2 "ASN " " CB " 6 0 0 1 77.52 5347 + 5348 2 6.638000 13.514000 11.899000 343 N A 2 "ASN " " CG " 6 0 0 1 83.72 5348 + 5349 15 6.818000 13.349000 13.103000 343 N A 2 "ASN " " OD1" 8 0 0 1 93.05 5349 + 5350 25 6.142000 14.653000 11.413000 343 N A 2 "ASN " " ND2" 7 0 0 1 80.47 5350 + 5351 43 7.342000 11.154000 13.168000 343 N A 2 "ASN " " H " 1 0 0 1 87.71 5351 + 5352 41 8.259000 10.774000 10.381000 343 N A 2 "ASN " " HA " 1 0 0 1 81.07 5352 + 5353 41 6.047000 11.832000 10.725000 343 N A 2 "ASN " " HB3" 1 0 0 1 77.52 5353 + 5354 41 7.150000 12.884000 9.916000 343 N A 2 "ASN " " HB2" 1 0 0 1 77.52 5354 + 5355 43 5.887000 15.399000 12.042000 343 N A 2 "ASN " "HD22" 1 0 0 1 80.47 5355 + 5356 43 5.970000 14.755000 10.422000 343 N A 2 "ASN " "HD21" 1 0 0 1 80.47 5356 + 5357 25 10.119000 12.739000 10.483000 344 P A 2 "PRO " " N " 7 0 0 1 73.12 5357 + 5358 3 11.400000 13.455000 10.654000 344 P A 2 "PRO " " CA " 6 0 0 1 72.29 5358 + 5359 2 11.399000 14.583000 11.697000 344 P A 2 "PRO " " C " 6 0 0 1 75.65 5359 + 5360 15 12.437000 14.798000 12.315000 344 P A 2 "PRO " " O " 8 0 0 1 82.26 5360 + 5361 3 11.739000 13.979000 9.249000 344 P A 2 "PRO " " CB " 6 0 0 1 64.51 5361 + 5362 3 11.017000 13.027000 8.316000 344 P A 2 "PRO " " CG " 6 0 0 1 77.47 5362 + 5363 3 9.730000 12.730000 9.073000 344 P A 2 "PRO " " CD " 6 0 0 1 80.24 5363 + 5364 41 12.150000 12.718000 10.939000 344 P A 2 "PRO " " HA " 1 0 0 1 72.29 5364 + 5365 41 12.812000 14.009000 9.059000 344 P A 2 "PRO " " HB3" 1 0 0 1 64.51 5365 + 5366 41 11.348000 14.988000 9.106000 344 P A 2 "PRO " " HB2" 1 0 0 1 64.51 5366 + 5367 41 11.600000 12.111000 8.205000 344 P A 2 "PRO " " HG3" 1 0 0 1 77.47 5367 + 5368 41 10.851000 13.445000 7.323000 344 P A 2 "PRO " " HG2" 1 0 0 1 77.47 5368 + 5369 41 9.012000 13.532000 8.896000 344 P A 2 "PRO " " HD2" 1 0 0 1 80.24 5369 + 5370 41 9.287000 11.792000 8.745000 344 P A 2 "PRO " " HD3" 1 0 0 1 80.24 5370 + 5371 25 10.246000 15.249000 11.893000 345 C A 2 "CYS " " N " 7 0 0 1 78.75 5371 + 5372 3 10.038000 16.312000 12.876000 345 C A 2 "CYS " " CA " 6 0 0 1 80.64 5372 + 5373 2 10.204000 15.821000 14.326000 345 C A 2 "CYS " " C " 6 0 0 1 81.52 5373 + 5374 15 11.008000 16.394000 15.061000 345 C A 2 "CYS " " O " 8 0 0 1 95.18 5374 + 5375 3 8.689000 17.025000 12.647000 345 C A 2 "CYS " " CB " 6 0 0 1 84.59 5375 + 5376 49 8.432000 18.417000 13.782000 345 C A 2 "CYS " " SG " 16 0 0 1 94.7 5376 + 5377 43 9.440000 15.004000 11.335000 345 C A 2 "CYS " " H " 1 0 0 1 78.75 5377 + 5378 41 10.817000 17.056000 12.709000 345 C A 2 "CYS " " HA " 1 0 0 1 80.64 5378 + 5379 41 7.861000 16.327000 12.765000 345 C A 2 "CYS " " HB3" 1 0 0 1 84.59 5379 + 5380 41 8.641000 17.409000 11.629000 345 C A 2 "CYS " " HB2" 1 0 0 1 84.59 5380 + 5381 41 9.369000 19.205000 13.250000 345 C A 2 "CYS " " HG " 1 0 0 1 94.7 5381 + 5382 25 9.467000 14.758000 14.699000 346 K A 2 "LYS " " N " 7 0 1 1 73.3 5382 + 5383 3 9.501000 14.161000 16.038000 346 K A 2 "LYS " " CA " 6 0 1 1 76.32 5383 + 5384 2 10.881000 13.561000 16.386000 346 K A 2 "LYS " " C " 6 0 1 1 77.12 5384 + 5385 15 11.322000 13.687000 17.529000 346 K A 2 "LYS " " O " 8 0 1 1 72.54 5385 + 5386 3 8.360000 13.127000 16.154000 346 K A 2 "LYS " " CB " 6 0 1 1 87.14 5386 + 5387 3 8.078000 12.666000 17.594000 346 K A 2 "LYS " " CG " 6 0 1 1 96.92 5387 + 5388 3 6.953000 11.621000 17.674000 346 K A 2 "LYS " " CD " 6 0 1 1 101.59 5388 + 5389 3 6.665000 11.170000 19.115000 346 K A 2 "LYS " " CE " 6 0 1 1 107.76 5389 + 5390 32 5.843000 12.159000 19.834000 346 K A 2 "LYS " " NZ " 7 1 1 1 105.93 5390 + 5391 43 8.837000 14.327000 14.036000 346 K A 2 "LYS " " H " 1 0 1 1 73.3 5391 + 5392 41 9.304000 14.963000 16.752000 346 K A 2 "LYS " " HA " 1 0 1 1 76.32 5392 + 5393 41 8.568000 12.268000 15.512000 346 K A 2 "LYS " " HB3" 1 0 1 1 87.14 5393 + 5394 41 7.441000 13.572000 15.770000 346 K A 2 "LYS " " HB2" 1 0 1 1 87.14 5394 + 5395 41 7.815000 13.534000 18.199000 346 K A 2 "LYS " " HG3" 1 0 1 1 96.92 5395 + 5396 41 8.983000 12.251000 18.036000 346 K A 2 "LYS " " HG2" 1 0 1 1 96.92 5396 + 5397 41 7.213000 10.756000 17.067000 346 K A 2 "LYS " " HD3" 1 0 1 1 101.59 5397 + 5398 41 6.044000 12.022000 17.223000 346 K A 2 "LYS " " HD2" 1 0 1 1 101.59 5398 + 5399 41 7.593000 10.990000 19.659000 346 K A 2 "LYS " " HE3" 1 0 1 1 107.76 5399 + 5400 41 6.123000 10.228000 19.111000 346 K A 2 "LYS " " HE2" 1 0 1 1 107.76 5400 + 5401 44 4.962000 12.273000 19.346000 346 K A 2 "LYS " " HZ1" 1 0 1 1 105.93 5401 + 5402 44 5.662000 11.835000 20.773000 346 K A 2 "LYS " " HZ2" 1 0 1 1 105.93 5402 + 5403 44 6.323000 13.046000 19.866000 346 K A 2 "LYS " " HZ3" 1 0 1 1 105.93 5403 + 5404 25 11.552000 12.977000 15.377000 347 A A 2 "ALA " " N " 7 0 1 1 76.29 5404 + 5405 3 12.919000 12.465000 15.462000 347 A A 2 "ALA " " CA " 6 0 1 1 73.62 5405 + 5406 2 13.977000 13.567000 15.622000 347 A A 2 "ALA " " C " 6 0 1 1 68.94 5406 + 5407 15 14.899000 13.388000 16.415000 347 A A 2 "ALA " " O " 8 0 1 1 71.49 5407 + 5408 3 13.208000 11.610000 14.222000 347 A A 2 "ALA " " CB " 6 0 1 1 74.74 5408 + 5409 43 11.111000 12.909000 14.469000 347 A A 2 "ALA " " H " 1 0 1 1 76.29 5409 + 5410 41 12.983000 11.828000 16.342000 347 A A 2 "ALA " " HA " 1 0 1 1 73.62 5410 + 5411 41 14.180000 11.121000 14.293000 347 A A 2 "ALA " " HB1" 1 0 1 1 74.74 5411 + 5412 41 12.457000 10.828000 14.109000 347 A A 2 "ALA " " HB2" 1 0 1 1 74.74 5412 + 5413 41 13.202000 12.209000 13.311000 347 A A 2 "ALA " " HB3" 1 0 1 1 74.74 5413 + 5414 25 13.817000 14.685000 14.892000 348 A A 2 "ALA " " N " 7 0 1 1 63.7 5414 + 5415 3 14.679000 15.867000 14.968000 348 A A 2 "ALA " " CA " 6 0 1 1 67.59 5415 + 5416 2 14.609000 16.598000 16.319000 348 A A 2 "ALA " " C " 6 0 1 1 65.47 5416 + 5417 15 15.601000 17.214000 16.707000 348 A A 2 "ALA " " O " 8 0 1 1 70.91 5417 + 5418 3 14.339000 16.833000 13.823000 348 A A 2 "ALA " " CB " 6 0 1 1 64.73 5418 + 5419 43 13.045000 14.746000 14.241000 348 A A 2 "ALA " " H " 1 0 1 1 63.7 5419 + 5420 41 15.707000 15.526000 14.836000 348 A A 2 "ALA " " HA " 1 0 1 1 67.59 5420 + 5421 41 14.890000 17.770000 13.910000 348 A A 2 "ALA " " HB1" 1 0 1 1 64.73 5421 + 5422 41 14.597000 16.397000 12.858000 348 A A 2 "ALA " " HB2" 1 0 1 1 64.73 5422 + 5423 41 13.278000 17.084000 13.804000 348 A A 2 "ALA " " HB3" 1 0 1 1 64.73 5423 + 5424 25 13.463000 16.483000 17.014000 349 G A 2 "GLY " " N " 7 0 1 1 63.98 5424 + 5425 3 13.253000 16.997000 18.364000 349 G A 2 "GLY " " CA " 6 0 1 1 64.07 5425 + 5426 2 14.055000 16.162000 19.368000 349 G A 2 "GLY " " C " 6 0 1 1 70.81 5426 + 5427 15 14.865000 16.724000 20.101000 349 G A 2 "GLY " " O " 8 0 1 1 79.78 5427 + 5428 43 12.695000 15.974000 16.598000 349 G A 2 "GLY " " H " 1 0 1 1 63.98 5428 + 5429 41 12.193000 16.942000 18.610000 349 G A 2 "GLY " " HA3" 1 0 1 1 64.07 5429 + 5430 41 13.547000 18.047000 18.422000 349 G A 2 "GLY " " HA2" 1 0 1 1 64.07 5430 + 5431 25 13.871000 14.827000 19.358000 350 V A 2 "VAL " " N " 7 0 1 1 72.29 5431 + 5432 3 14.599000 13.862000 20.195000 350 V A 2 "VAL " " CA " 6 0 1 1 72.55 5432 + 5433 2 16.129000 13.893000 19.991000 350 V A 2 "VAL " " C " 6 0 1 1 75.78 5433 + 5434 15 16.861000 13.761000 20.971000 350 V A 2 "VAL " " O " 8 0 1 1 83.03 5434 + 5435 3 14.052000 12.416000 19.984000 350 V A 2 "VAL " " CB " 6 0 1 1 73.35 5435 + 5436 3 14.947000 11.264000 20.497000 350 V A 2 "VAL " " CG1" 6 0 1 1 72.63 5436 + 5437 3 12.649000 12.284000 20.605000 350 V A 2 "VAL " " CG2" 6 0 1 1 79.35 5437 + 5438 43 13.196000 14.430000 18.719000 350 V A 2 "VAL " " H " 1 0 1 1 72.29 5438 + 5439 41 14.421000 14.149000 21.232000 350 V A 2 "VAL " " HA " 1 0 1 1 72.55 5439 + 5440 41 13.936000 12.259000 18.910000 350 V A 2 "VAL " " HB " 1 0 1 1 73.35 5440 + 5441 41 14.443000 10.303000 20.396000 350 V A 2 "VAL " "HG11" 1 0 1 1 72.63 5441 + 5442 41 15.878000 11.183000 19.934000 350 V A 2 "VAL " "HG12" 1 0 1 1 72.63 5442 + 5443 41 15.198000 11.396000 21.550000 350 V A 2 "VAL " "HG13" 1 0 1 1 72.63 5443 + 5444 41 12.234000 11.287000 20.463000 350 V A 2 "VAL " "HG21" 1 0 1 1 79.35 5444 + 5445 41 12.676000 12.474000 21.678000 350 V A 2 "VAL " "HG22" 1 0 1 1 79.35 5445 + 5446 41 11.948000 12.991000 20.162000 350 V A 2 "VAL " "HG23" 1 0 1 1 79.35 5446 + 5447 25 16.573000 14.119000 18.743000 351 C A 2 "CYS " " N " 7 0 1 1 73.4 5447 + 5448 3 17.975000 14.293000 18.371000 351 C A 2 "CYS " " CA " 6 0 1 1 72.28 5448 + 5449 2 18.580000 15.590000 18.947000 351 C A 2 "CYS " " C " 6 0 1 1 70.96 5449 + 5450 15 19.715000 15.548000 19.418000 351 C A 2 "CYS " " O " 8 0 1 1 69.6 5450 + 5451 3 18.161000 14.189000 16.845000 351 C A 2 "CYS " " CB " 6 0 1 1 78.1 5451 + 5452 49 19.911000 14.209000 16.342000 351 C A 2 "CYS " " SG " 16 0 1 1 60.4 5452 + 5453 43 15.902000 14.188000 17.988000 351 C A 2 "CYS " " H " 1 0 1 1 73.4 5453 + 5454 41 18.521000 13.456000 18.809000 351 C A 2 "CYS " " HA " 1 0 1 1 72.28 5454 + 5455 41 17.630000 14.994000 16.338000 351 C A 2 "CYS " " HB3" 1 0 1 1 78.1 5455 + 5456 41 17.727000 13.253000 16.494000 351 C A 2 "CYS " " HB2" 1 0 1 1 78.1 5456 + 5457 41 20.160000 15.456000 16.749000 351 C A 2 "CYS " " HG " 1 0 1 1 60.4 5457 + 5458 25 17.811000 16.697000 18.947000 352 L A 2 "LEU " " N " 7 0 1 1 71.04 5458 + 5459 3 18.202000 17.967000 19.573000 352 L A 2 "LEU " " CA " 6 0 1 1 68.19 5459 + 5460 2 18.341000 17.867000 21.102000 352 L A 2 "LEU " " C " 6 0 1 1 72.22 5460 + 5461 15 19.273000 18.462000 21.643000 352 L A 2 "LEU " " O " 8 0 1 1 79.7 5461 + 5462 3 17.220000 19.106000 19.192000 352 L A 2 "LEU " " CB " 6 0 1 1 61.68 5462 + 5463 3 17.805000 20.159000 18.227000 352 L A 2 "LEU " " CG " 6 0 1 1 64.35 5463 + 5464 3 16.737000 21.210000 17.861000 352 L A 2 "LEU " " CD1" 6 0 1 1 69.73 5464 + 5465 3 19.093000 20.819000 18.768000 352 L A 2 "LEU " " CD2" 6 0 1 1 74.32 5465 + 5466 43 16.885000 16.665000 18.543000 352 L A 2 "LEU " " H " 1 0 1 1 71.04 5466 + 5467 41 19.192000 18.204000 19.181000 352 L A 2 "LEU " " HA " 1 0 1 1 68.19 5467 + 5468 41 16.884000 19.636000 20.083000 352 L A 2 "LEU " " HB3" 1 0 1 1 61.68 5468 + 5469 41 16.309000 18.685000 18.766000 352 L A 2 "LEU " " HB2" 1 0 1 1 61.68 5469 + 5470 41 18.069000 19.636000 17.308000 352 L A 2 "LEU " " HG " 1 0 1 1 64.35 5470 + 5471 41 16.645000 21.296000 16.777000 352 L A 2 "LEU " "HD11" 1 0 1 1 69.73 5471 + 5472 41 15.754000 20.944000 18.250000 352 L A 2 "LEU " "HD12" 1 0 1 1 69.73 5472 + 5473 41 16.966000 22.204000 18.248000 352 L A 2 "LEU " "HD13" 1 0 1 1 69.73 5473 + 5474 41 19.110000 21.896000 18.607000 352 L A 2 "LEU " "HD21" 1 0 1 1 74.32 5474 + 5475 41 19.221000 20.654000 19.838000 352 L A 2 "LEU " "HD22" 1 0 1 1 74.32 5475 + 5476 41 19.974000 20.415000 18.267000 352 L A 2 "LEU " "HD23" 1 0 1 1 74.32 5476 + 5477 25 17.451000 17.100000 21.760000 353 M A 2 "MET " " N " 7 0 1 1 69.67 5477 + 5478 3 17.551000 16.782000 23.188000 353 M A 2 "MET " " CA " 6 0 1 1 70.79 5478 + 5479 2 18.795000 15.940000 23.511000 353 M A 2 "MET " " C " 6 0 1 1 73.15 5479 + 5480 15 19.471000 16.237000 24.494000 353 M A 2 "MET " " O " 8 0 1 1 78.42 5480 + 5481 3 16.283000 16.070000 23.703000 353 M A 2 "MET " " CB " 6 0 1 1 74.11 5481 + 5482 3 14.994000 16.893000 23.575000 353 M A 2 "MET " " CG " 6 0 1 1 81.01 5482 + 5483 49 13.646000 16.392000 24.681000 353 M A 2 "MET " " SD " 16 0 1 1 74.16 5483 + 5484 3 13.397000 14.673000 24.162000 353 M A 2 "MET " " CE " 6 0 1 1 81.72 5484 + 5485 43 16.699000 16.657000 21.249000 353 M A 2 "MET " " H " 1 0 1 1 69.67 5485 + 5486 41 17.649000 17.726000 23.730000 353 M A 2 "MET " " HA " 1 0 1 1 70.79 5486 + 5487 41 16.421000 15.798000 24.751000 353 M A 2 "MET " " HB3" 1 0 1 1 74.11 5487 + 5488 41 16.154000 15.130000 23.166000 353 M A 2 "MET " " HB2" 1 0 1 1 74.11 5488 + 5489 41 14.621000 16.866000 22.555000 353 M A 2 "MET " " HG3" 1 0 1 1 81.01 5489 + 5490 41 15.216000 17.934000 23.794000 353 M A 2 "MET " " HG2" 1 0 1 1 81.01 5490 + 5491 41 12.590000 14.223000 24.740000 353 M A 2 "MET " " HE1" 1 0 1 1 81.72 5491 + 5492 41 13.126000 14.633000 23.108000 353 M A 2 "MET " " HE2" 1 0 1 1 81.72 5492 + 5493 41 14.299000 14.082000 24.318000 353 M A 2 "MET " " HE3" 1 0 1 1 81.72 5493 + 5494 25 19.097000 14.944000 22.658000 354 L A 2 "LEU " " N " 7 0 1 1 72.26 5494 + 5495 3 20.295000 14.103000 22.740000 354 L A 2 "LEU " " CA " 6 0 1 1 65.36 5495 + 5496 2 21.601000 14.894000 22.584000 354 L A 2 "LEU " " C " 6 0 1 1 73.3 5496 + 5497 15 22.533000 14.642000 23.342000 354 L A 2 "LEU " " O " 8 0 1 1 85.45 5497 + 5498 3 20.224000 12.972000 21.686000 354 L A 2 "LEU " " CB " 6 0 1 1 57.39 5498 + 5499 3 19.753000 11.618000 22.246000 354 L A 2 "LEU " " CG " 6 0 1 1 70.99 5499 + 5500 3 19.417000 10.628000 21.111000 354 L A 2 "LEU " " CD1" 6 0 1 1 70.85 5500 + 5501 3 20.782000 11.041000 23.239000 354 L A 2 "LEU " " CD2" 6 0 1 1 75.24 5501 + 5502 43 18.477000 14.751000 21.883000 354 L A 2 "LEU " " H " 1 0 1 1 72.26 5502 + 5503 41 20.302000 13.674000 23.743000 354 L A 2 "LEU " " HA " 1 0 1 1 65.36 5503 + 5504 41 21.196000 12.812000 21.214000 354 L A 2 "LEU " " HB3" 1 0 1 1 57.39 5504 + 5505 41 19.568000 13.279000 20.873000 354 L A 2 "LEU " " HB2" 1 0 1 1 57.39 5505 + 5506 41 18.829000 11.803000 22.795000 354 L A 2 "LEU " " HG " 1 0 1 1 70.99 5506 + 5507 41 19.965000 9.688000 21.187000 354 L A 2 "LEU " "HD11" 1 0 1 1 70.85 5507 + 5508 41 18.356000 10.379000 21.120000 354 L A 2 "LEU " "HD12" 1 0 1 1 70.85 5508 + 5509 41 19.639000 11.045000 20.128000 354 L A 2 "LEU " "HD13" 1 0 1 1 70.85 5509 + 5510 41 20.293000 10.688000 24.147000 354 L A 2 "LEU " "HD21" 1 0 1 1 75.24 5510 + 5511 41 21.337000 10.208000 22.815000 354 L A 2 "LEU " "HD22" 1 0 1 1 75.24 5511 + 5512 41 21.532000 11.774000 23.536000 354 L A 2 "LEU " "HD23" 1 0 1 1 75.24 5512 + 5513 25 21.633000 15.846000 21.635000 355 L A 2 "LEU " " N " 7 0 1 1 71.19 5513 + 5514 3 22.741000 16.782000 21.432000 355 L A 2 "LEU " " CA " 6 0 1 1 69.61 5514 + 5515 2 22.951000 17.717000 22.631000 355 L A 2 "LEU " " C " 6 0 1 1 73.54 5515 + 5516 15 24.100000 18.026000 22.936000 355 L A 2 "LEU " " O " 8 0 1 1 75.86 5516 + 5517 3 22.507000 17.616000 20.154000 355 L A 2 "LEU " " CB " 6 0 1 1 61.67 5517 + 5518 3 22.942000 16.923000 18.848000 355 L A 2 "LEU " " CG " 6 0 1 1 59.88 5518 + 5519 3 22.370000 17.649000 17.619000 355 L A 2 "LEU " " CD1" 6 0 1 1 70.72 5519 + 5520 3 24.473000 16.765000 18.741000 355 L A 2 "LEU " " CD2" 6 0 1 1 63.89 5520 + 5521 43 20.833000 15.965000 21.027000 355 L A 2 "LEU " " H " 1 0 1 1 71.19 5521 + 5522 41 23.654000 16.196000 21.318000 355 L A 2 "LEU " " HA " 1 0 1 1 69.61 5522 + 5523 41 23.050000 18.560000 20.209000 355 L A 2 "LEU " " HB3" 1 0 1 1 61.67 5523 + 5524 41 21.454000 17.893000 20.105000 355 L A 2 "LEU " " HB2" 1 0 1 1 61.67 5524 + 5525 41 22.501000 15.925000 18.856000 355 L A 2 "LEU " " HG " 1 0 1 1 59.88 5525 + 5526 41 22.145000 16.925000 16.836000 355 L A 2 "LEU " "HD11" 1 0 1 1 70.72 5526 + 5527 41 21.448000 18.182000 17.849000 355 L A 2 "LEU " "HD12" 1 0 1 1 70.72 5527 + 5528 41 23.066000 18.378000 17.204000 355 L A 2 "LEU " "HD13" 1 0 1 1 70.72 5528 + 5529 41 24.743000 15.719000 18.630000 355 L A 2 "LEU " "HD21" 1 0 1 1 63.89 5529 + 5530 41 24.884000 17.270000 17.870000 355 L A 2 "LEU " "HD22" 1 0 1 1 63.89 5530 + 5531 41 24.998000 17.152000 19.615000 355 L A 2 "LEU " "HD23" 1 0 1 1 63.89 5531 + 5532 25 21.856000 18.130000 23.294000 356 A A 2 "ALA " " N " 7 0 1 1 77.21 5532 + 5533 3 21.900000 18.996000 24.468000 356 A A 2 "ALA " " CA " 6 0 1 1 81.35 5533 + 5534 2 22.509000 18.324000 25.703000 356 A A 2 "ALA " " C " 6 0 1 1 80.53 5534 + 5535 15 23.319000 18.954000 26.380000 356 A A 2 "ALA " " O " 8 0 1 1 91.51 5535 + 5536 3 20.506000 19.570000 24.761000 356 A A 2 "ALA " " CB " 6 0 1 1 90.99 5536 + 5537 43 20.939000 17.840000 22.982000 356 A A 2 "ALA " " H " 1 0 1 1 77.21 5537 + 5538 41 22.563000 19.811000 24.205000 356 A A 2 "ALA " " HA " 1 0 1 1 81.35 5538 + 5539 41 20.555000 20.315000 25.555000 356 A A 2 "ALA " " HB1" 1 0 1 1 90.99 5539 + 5540 41 20.083000 20.055000 23.881000 356 A A 2 "ALA " " HB2" 1 0 1 1 90.99 5540 + 5541 41 19.806000 18.798000 25.079000 356 A A 2 "ALA " " HB3" 1 0 1 1 90.99 5541 + 5542 25 22.152000 17.050000 25.933000 357 T A 2 "THR " " N " 7 0 1 1 72.55 5542 + 5543 3 22.705000 16.207000 26.994000 357 T A 2 "THR " " CA " 6 0 1 1 77.05 5543 + 5544 2 24.079000 15.590000 26.639000 357 T A 2 "THR " " C " 6 0 1 1 81.7 5544 + 5545 15 24.700000 15.010000 27.527000 357 T A 2 "THR " " O " 8 0 1 1 86.86 5545 + 5546 3 21.722000 15.059000 27.355000 357 T A 2 "THR " " CB " 6 0 1 1 78.22 5546 + 5547 16 21.571000 14.117000 26.306000 357 T A 2 "THR " " OG1" 8 0 1 1 81.79 5547 + 5548 3 20.339000 15.566000 27.794000 357 T A 2 "THR " " CG2" 6 0 1 1 82.53 5548 + 5549 43 21.470000 16.606000 25.331000 357 T A 2 "THR " " H " 1 0 1 1 72.55 5549 + 5550 41 22.853000 16.814000 27.888000 357 T A 2 "THR " " HA " 1 0 1 1 77.05 5550 + 5551 41 22.137000 14.506000 28.199000 357 T A 2 "THR " " HB " 1 0 1 1 78.22 5551 + 5552 42 22.414000 13.677000 26.162000 357 T A 2 "THR " " HG1" 1 0 1 1 81.79 5552 + 5553 41 19.687000 14.740000 28.079000 357 T A 2 "THR " "HG21" 1 0 1 1 82.53 5553 + 5554 41 20.436000 16.223000 28.658000 357 T A 2 "THR " "HG22" 1 0 1 1 82.53 5554 + 5555 41 19.834000 16.131000 27.014000 357 T A 2 "THR " "HG23" 1 0 1 1 82.53 5555 + 5556 25 24.531000 15.725000 25.379000 358 C A 2 "CYS " " N " 7 0 1 1 79.31 5556 + 5557 3 25.831000 15.253000 24.890000 358 C A 2 "CYS " " CA " 6 0 1 1 79.95 5557 + 5558 2 26.877000 16.385000 24.859000 358 C A 2 "CYS " " C " 6 0 1 1 81.04 5558 + 5559 15 28.069000 16.099000 24.979000 358 C A 2 "CYS " " O " 8 0 1 1 82.51 5559 + 5560 3 25.670000 14.574000 23.507000 358 C A 2 "CYS " " CB " 6 0 1 1 79.2 5560 + 5561 49 27.208000 13.892000 22.814000 358 C A 2 "CYS " " SG " 16 0 1 1 71.08 5561 + 5562 43 23.947000 16.192000 24.701000 358 C A 2 "CYS " " H " 1 0 1 1 79.31 5562 + 5563 41 26.217000 14.501000 25.577000 358 C A 2 "CYS " " HA " 1 0 1 1 79.95 5563 + 5564 41 25.253000 15.275000 22.785000 358 C A 2 "CYS " " HB3" 1 0 1 1 79.2 5564 + 5565 41 24.965000 13.746000 23.587000 358 C A 2 "CYS " " HB2" 1 0 1 1 79.2 5565 + 5566 41 27.858000 15.057000 22.734000 358 C A 2 "CYS " " HG " 1 0 1 1 71.08 5566 + 5567 25 26.423000 17.638000 24.686000 359 C A 2 "CYS " " N " 7 0 0 1 81.01 5567 + 5568 3 27.258000 18.825000 24.510000 359 C A 2 "CYS " " CA " 6 0 0 1 82.38 5568 + 5569 2 26.732000 19.924000 25.451000 359 C A 2 "CYS " " C " 6 0 0 1 85.47 5569 + 5570 15 26.267000 20.959000 24.971000 359 C A 2 "CYS " " O " 8 0 0 1 84.66 5570 + 5571 3 27.273000 19.303000 23.034000 359 C A 2 "CYS " " CB " 6 0 0 1 79.93 5571 + 5572 49 27.926000 18.038000 21.906000 359 C A 2 "CYS " " SG " 16 0 0 1 82.87 5572 + 5573 43 25.427000 17.792000 24.607000 359 C A 2 "CYS " " H " 1 0 0 1 81.01 5573 + 5574 41 28.286000 18.620000 24.816000 359 C A 2 "CYS " " HA " 1 0 0 1 82.38 5574 + 5575 41 27.895000 20.193000 22.932000 359 C A 2 "CYS " " HB3" 1 0 0 1 79.93 5575 + 5576 41 26.273000 19.576000 22.696000 359 C A 2 "CYS " " HB2" 1 0 0 1 79.93 5576 + 5577 41 26.908000 17.187000 22.059000 359 C A 2 "CYS " " HG " 1 0 0 1 82.87 5577 + 5578 25 26.790000 19.661000 26.770000 360 E A 2 "GLU " " N " 7 0 0 1 92.98 5578 + 5579 3 26.300000 20.506000 27.872000 360 E A 2 "GLU " " CA " 6 0 0 1 102.41 5579 + 5580 2 27.106000 21.815000 28.056000 360 E A 2 "GLU " " C " 6 0 0 1 104.52 5580 + 5581 15 27.762000 21.988000 29.081000 360 E A 2 "GLU " " O " 8 0 0 1 111.28 5581 + 5582 3 26.305000 19.693000 29.193000 360 E A 2 "GLU " " CB " 6 0 0 1 112.4 5582 + 5583 3 25.590000 18.327000 29.172000 360 E A 2 "GLU " " CG " 6 0 0 1 123.42 5583 + 5584 2 26.573000 17.161000 29.085000 360 E A 2 "GLU " " CD " 6 0 0 1 125.77 5584 + 5585 15 27.281000 17.086000 28.058000 360 E A 2 "GLU " " OE1" 8 0 0 1 124.15 5585 + 5586 18 26.611000 16.377000 30.059000 360 E A 2 "GLU " " OE2" 8 -1 0 1 130.53 5586 + 5587 43 27.160000 18.764000 27.066000 360 E A 2 "GLU " " H " 1 0 0 1 92.98 5587 + 5588 41 25.268000 20.780000 27.645000 360 E A 2 "GLU " " HA " 1 0 0 1 102.41 5588 + 5589 41 25.865000 20.305000 29.977000 360 E A 2 "GLU " " HB3" 1 0 0 1 112.4 5589 + 5590 41 27.335000 19.542000 29.522000 360 E A 2 "GLU " " HB2" 1 0 0 1 112.4 5590 + 5591 41 24.874000 18.266000 28.354000 360 E A 2 "GLU " " HG3" 1 0 0 1 123.42 5591 + 5592 41 25.016000 18.202000 30.090000 360 E A 2 "GLU " " HG2" 1 0 0 1 123.42 5592 + 5593 25 27.045000 22.705000 27.059000 361 D A 2 "ASP " " N " 7 0 0 1 108.08 5593 + 5594 3 27.832000 23.929000 26.898000 361 D A 2 "ASP " " CA " 6 0 0 1 110.3 5594 + 5595 2 27.576000 24.429000 25.479000 361 D A 2 "ASP " " C " 6 0 0 1 112.9 5595 + 5596 15 26.861000 25.414000 25.298000 361 D A 2 "ASP " " O " 8 0 0 1 114.57 5596 + 5597 3 29.372000 23.766000 27.117000 361 D A 2 "ASP " " CB " 6 0 0 1 111.7 5597 + 5598 2 29.872000 24.216000 28.487000 361 D A 2 "ASP " " CG " 6 0 0 1 112.84 5598 + 5599 15 29.652000 25.409000 28.793000 361 D A 2 "ASP " " OD1" 8 0 0 1 124.39 5599 + 5600 18 30.557000 23.408000 29.151000 361 D A 2 "ASP " " OD2" 8 -1 0 1 95.12 5600 + 5601 43 26.480000 22.460000 26.256000 361 D A 2 "ASP " " H " 1 0 0 1 108.08 5601 + 5602 41 27.425000 24.667000 27.592000 361 D A 2 "ASP " " HA " 1 0 0 1 110.3 5602 + 5603 41 29.969000 24.310000 26.383000 361 D A 2 "ASP " " HB3" 1 0 0 1 111.7 5603 + 5604 41 29.651000 22.720000 26.976000 361 D A 2 "ASP " " HB2" 1 0 0 1 111.7 5604 + 5605 25 28.195000 23.724000 24.517000 362 D A 2 "ASP " " N " 7 0 0 1 109.13 5605 + 5606 3 28.306000 24.069000 23.102000 362 D A 2 "ASP " " CA " 6 0 0 1 104.07 5606 + 5607 2 26.964000 24.100000 22.361000 362 D A 2 "ASP " " C " 6 0 0 1 97.94 5607 + 5608 15 26.867000 24.816000 21.368000 362 D A 2 "ASP " " O " 8 0 0 1 96.54 5608 + 5609 3 29.301000 23.170000 22.323000 362 D A 2 "ASP " " CB " 6 0 0 1 106.04 5609 + 5610 2 30.585000 22.785000 23.068000 362 D A 2 "ASP " " CG " 6 0 0 1 113.01 5610 + 5611 15 30.472000 22.044000 24.069000 362 D A 2 "ASP " " OD1" 8 0 0 1 107.41 5611 + 5612 18 31.666000 23.173000 22.574000 362 D A 2 "ASP " " OD2" 8 -1 0 1 120.21 5612 + 5613 43 28.762000 22.932000 24.794000 362 D A 2 "ASP " " H " 1 0 0 1 109.13 5613 + 5614 41 28.700000 25.087000 23.072000 362 D A 2 "ASP " " HA " 1 0 0 1 104.07 5614 + 5615 41 29.584000 23.673000 21.397000 362 D A 2 "ASP " " HB3" 1 0 0 1 106.04 5615 + 5616 41 28.829000 22.242000 22.001000 362 D A 2 "ASP " " HB2" 1 0 0 1 106.04 5616 + 5617 25 25.961000 23.346000 22.841000 363 I A 2 "ILE " " N " 7 0 0 1 94.4 5617 + 5618 3 24.629000 23.277000 22.242000 363 I A 2 "ILE " " CA " 6 0 0 1 90.46 5618 + 5619 2 23.891000 24.632000 22.212000 363 I A 2 "ILE " " C " 6 0 0 1 88.27 5619 + 5620 15 23.418000 25.019000 21.145000 363 I A 2 "ILE " " O " 8 0 0 1 85.14 5620 + 5621 3 23.731000 22.213000 22.944000 363 I A 2 "ILE " " CB " 6 0 0 1 91.43 5621 + 5622 3 22.402000 21.964000 22.191000 363 I A 2 "ILE " " CG1" 6 0 0 1 80.16 5622 + 5623 3 23.449000 22.533000 24.430000 363 I A 2 "ILE " " CG2" 6 0 0 1 94.19 5623 + 5624 3 22.584000 21.438000 20.762000 363 I A 2 "ILE " " CD1" 6 0 0 1 71.57 5624 + 5625 43 26.117000 22.771000 23.658000 363 I A 2 "ILE " " H " 1 0 0 1 94.4 5625 + 5626 41 24.781000 22.967000 21.207000 363 I A 2 "ILE " " HA " 1 0 0 1 90.46 5626 + 5627 41 24.290000 21.276000 22.929000 363 I A 2 "ILE " " HB " 1 0 0 1 91.43 5627 + 5628 41 21.809000 22.877000 22.161000 363 I A 2 "ILE " "HG13" 1 0 0 1 80.16 5628 + 5629 41 21.788000 21.252000 22.737000 363 I A 2 "ILE " "HG12" 1 0 0 1 80.16 5629 + 5630 41 23.106000 21.665000 24.984000 363 I A 2 "ILE " "HG21" 1 0 0 1 94.19 5630 + 5631 41 24.341000 22.890000 24.943000 363 I A 2 "ILE " "HG22" 1 0 0 1 94.19 5631 + 5632 41 22.671000 23.288000 24.542000 363 I A 2 "ILE " "HG23" 1 0 0 1 94.19 5632 + 5633 41 21.734000 20.825000 20.462000 363 I A 2 "ILE " "HD11" 1 0 0 1 71.57 5633 + 5634 41 22.673000 22.255000 20.047000 363 I A 2 "ILE " "HD12" 1 0 0 1 71.57 5634 + 5635 41 23.480000 20.824000 20.677000 363 I A 2 "ILE " "HD13" 1 0 0 1 71.57 5635 + 5636 25 23.827000 25.321000 23.367000 364 V A 2 "VAL " " N " 7 0 1 1 83.12 5636 + 5637 3 23.052000 26.542000 23.584000 364 V A 2 "VAL " " CA " 6 0 1 1 75.55 5637 + 5638 2 23.354000 27.672000 22.572000 364 V A 2 "VAL " " C " 6 0 1 1 76.94 5638 + 5639 15 22.393000 28.103000 21.939000 364 V A 2 "VAL " " O " 8 0 1 1 72.15 5639 + 5640 3 23.176000 27.077000 25.044000 364 V A 2 "VAL " " CB " 6 0 1 1 67.76 5640 + 5641 3 22.413000 28.393000 25.311000 364 V A 2 "VAL " " CG1" 6 0 1 1 65.18 5641 + 5642 3 22.740000 26.022000 26.073000 364 V A 2 "VAL " " CG2" 6 0 1 1 66.06 5642 + 5643 43 24.288000 24.945000 24.183000 364 V A 2 "VAL " " H " 1 0 1 1 83.12 5643 + 5644 41 22.010000 26.252000 23.434000 364 V A 2 "VAL " " HA " 1 0 1 1 75.55 5644 + 5645 41 24.225000 27.273000 25.254000 364 V A 2 "VAL " " HB " 1 0 1 1 67.76 5645 + 5646 41 22.462000 28.666000 26.366000 364 V A 2 "VAL " "HG11" 1 0 1 1 65.18 5646 + 5647 41 22.831000 29.232000 24.755000 364 V A 2 "VAL " "HG12" 1 0 1 1 65.18 5647 + 5648 41 21.360000 28.304000 25.043000 364 V A 2 "VAL " "HG13" 1 0 1 1 65.18 5648 + 5649 41 22.805000 26.410000 27.090000 364 V A 2 "VAL " "HG21" 1 0 1 1 66.06 5649 + 5650 41 21.712000 25.699000 25.906000 364 V A 2 "VAL " "HG22" 1 0 1 1 66.06 5650 + 5651 41 23.383000 25.145000 26.031000 364 V A 2 "VAL " "HG23" 1 0 1 1 66.06 5651 + 5652 25 24.633000 28.079000 22.355000 365 P A 2 "PRO " " N " 7 0 1 1 80.65 5652 + 5653 3 24.960000 29.157000 21.399000 365 P A 2 "PRO " " CA " 6 0 1 1 82.53 5653 + 5654 2 24.676000 28.874000 19.911000 365 P A 2 "PRO " " C " 6 0 1 1 88.55 5654 + 5655 15 24.562000 29.840000 19.159000 365 P A 2 "PRO " " O " 8 0 1 1 84.05 5655 + 5656 3 26.452000 29.443000 21.645000 365 P A 2 "PRO " " CB " 6 0 1 1 80.07 5656 + 5657 3 26.998000 28.147000 22.209000 365 P A 2 "PRO " " CG " 6 0 1 1 86.79 5657 + 5658 3 25.844000 27.663000 23.070000 365 P A 2 "PRO " " CD " 6 0 1 1 81.66 5658 + 5659 41 24.385000 30.047000 21.666000 365 P A 2 "PRO " " HA " 1 0 1 1 82.53 5659 + 5660 41 26.549000 30.235000 22.389000 365 P A 2 "PRO " " HB3" 1 0 1 1 80.07 5660 + 5661 41 26.996000 29.769000 20.757000 365 P A 2 "PRO " " HB2" 1 0 1 1 80.07 5661 + 5662 41 27.929000 28.269000 22.763000 365 P A 2 "PRO " " HG3" 1 0 1 1 86.79 5662 + 5663 41 27.178000 27.445000 21.395000 365 P A 2 "PRO " " HG2" 1 0 1 1 86.79 5663 + 5664 41 25.933000 26.597000 23.233000 365 P A 2 "PRO " " HD2" 1 0 1 1 81.66 5664 + 5665 41 25.874000 28.162000 24.039000 365 P A 2 "PRO " " HD3" 1 0 1 1 81.66 5665 + 5666 25 24.549000 27.597000 19.506000 366 H A 2 "HIS " " N " 7 0 1 1 93.67 5666 + 5667 3 24.157000 27.225000 18.142000 366 H A 2 "HIS " " CA " 6 0 1 1 87.77 5667 + 5668 2 22.636000 27.281000 17.926000 366 H A 2 "HIS " " C " 6 0 1 1 84.92 5668 + 5669 15 22.209000 27.615000 16.821000 366 H A 2 "HIS " " O " 8 0 1 1 80.58 5669 + 5670 3 24.694000 25.826000 17.782000 366 H A 2 "HIS " " CB " 6 0 1 1 89.92 5670 + 5671 2 26.190000 25.756000 17.616000 366 H A 2 "HIS " " CG " 6 0 1 1 91.94 5671 + 5672 25 27.047000 25.407000 18.641000 366 H A 2 "HIS " " ND1" 7 0 1 1 94.19 5672 + 5673 2 26.998000 25.965000 16.520000 366 H A 2 "HIS " " CD2" 6 0 1 1 96.69 5673 + 5674 2 28.286000 25.415000 18.149000 366 H A 2 "HIS " " CE1" 6 0 1 1 99.99 5674 + 5675 25 28.334000 25.747000 16.865000 366 H A 2 "HIS " " NE2" 7 0 1 1 103.38 5675 + 5676 43 24.661000 26.841000 20.167000 366 H A 2 "HIS " " H " 1 0 1 1 93.67 5676 + 5677 41 24.599000 27.933000 17.438000 366 H A 2 "HIS " " HA " 1 0 1 1 87.77 5677 + 5678 41 24.256000 25.486000 16.842000 366 H A 2 "HIS " " HB3" 1 0 1 1 89.92 5678 + 5679 41 24.390000 25.097000 18.535000 366 H A 2 "HIS " " HB2" 1 0 1 1 89.92 5679 + 5680 43 26.795000 25.184000 19.599000 366 H A 2 "HIS " " HD1" 1 0 1 1 94.19 5680 + 5681 41 26.721000 26.254000 15.517000 366 H A 2 "HIS " " HD2" 1 0 1 1 96.69 5681 + 5682 41 29.161000 25.176000 18.735000 366 H A 2 "HIS " " HE1" 1 0 1 1 99.99 5682 + 5683 25 21.852000 26.936000 18.961000 367 V A 2 "VAL " " N " 7 0 1 1 80.72 5683 + 5684 3 20.394000 26.817000 18.873000 367 V A 2 "VAL " " CA " 6 0 1 1 80.06 5684 + 5685 2 19.684000 28.161000 19.158000 367 V A 2 "VAL " " C " 6 0 1 1 85.72 5685 + 5686 15 18.686000 28.448000 18.500000 367 V A 2 "VAL " " O " 8 0 1 1 91.29 5686 + 5687 3 19.857000 25.721000 19.841000 367 V A 2 "VAL " " CB " 6 0 1 1 76.87 5687 + 5688 3 18.333000 25.515000 19.756000 367 V A 2 "VAL " " CG1" 6 0 1 1 73.21 5688 + 5689 3 20.514000 24.353000 19.577000 367 V A 2 "VAL " " CG2" 6 0 1 1 83.94 5689 + 5690 43 22.272000 26.670000 19.842000 367 V A 2 "VAL " " H " 1 0 1 1 80.72 5690 + 5691 41 20.124000 26.518000 17.858000 367 V A 2 "VAL " " HA " 1 0 1 1 80.06 5691 + 5692 41 20.107000 26.016000 20.861000 367 V A 2 "VAL " " HB " 1 0 1 1 76.87 5692 + 5693 41 18.003000 24.726000 20.430000 367 V A 2 "VAL " "HG11" 1 0 1 1 73.21 5693 + 5694 41 17.775000 26.406000 20.015000 367 V A 2 "VAL " "HG12" 1 0 1 1 73.21 5694 + 5695 41 18.038000 25.227000 18.747000 367 V A 2 "VAL " "HG13" 1 0 1 1 73.21 5695 + 5696 41 20.224000 23.617000 20.324000 367 V A 2 "VAL " "HG21" 1 0 1 1 83.94 5696 + 5697 41 20.209000 23.959000 18.610000 367 V A 2 "VAL " "HG22" 1 0 1 1 83.94 5697 + 5698 41 21.599000 24.400000 19.573000 367 V A 2 "VAL " "HG23" 1 0 1 1 83.94 5698 + 5699 25 20.224000 28.972000 20.090000 368 L A 2 "LEU " " N " 7 0 1 1 87.26 5699 + 5700 3 19.729000 30.306000 20.470000 368 L A 2 "LEU " " CA " 6 0 1 1 82.78 5700 + 5701 2 19.457000 31.313000 19.333000 368 L A 2 "LEU " " C " 6 0 1 1 86.31 5701 + 5702 15 18.392000 31.928000 19.381000 368 L A 2 "LEU " " O " 8 0 1 1 86.89 5702 + 5703 3 20.643000 30.953000 21.537000 368 L A 2 "LEU " " CB " 6 0 1 1 76.3 5703 + 5704 3 19.901000 31.320000 22.835000 368 L A 2 "LEU " " CG " 6 0 1 1 75.99 5704 + 5705 3 20.901000 31.683000 23.943000 368 L A 2 "LEU " " CD1" 6 0 1 1 76.69 5705 + 5706 3 18.856000 32.431000 22.625000 368 L A 2 "LEU " " CD2" 6 0 1 1 61.89 5706 + 5707 43 21.048000 28.659000 20.587000 368 L A 2 "LEU " " H " 1 0 1 1 87.26 5707 + 5708 41 18.760000 30.125000 20.931000 368 L A 2 "LEU " " HA " 1 0 1 1 82.78 5708 + 5709 41 21.147000 31.840000 21.150000 368 L A 2 "LEU " " HB3" 1 0 1 1 76.3 5709 + 5710 41 21.456000 30.280000 21.782000 368 L A 2 "LEU " " HB2" 1 0 1 1 76.3 5710 + 5711 41 19.373000 30.427000 23.176000 368 L A 2 "LEU " " HG " 1 0 1 1 75.99 5711 + 5712 41 20.691000 31.096000 24.832000 368 L A 2 "LEU " "HD11" 1 0 1 1 76.69 5712 + 5713 41 21.934000 31.478000 23.660000 368 L A 2 "LEU " "HD12" 1 0 1 1 76.69 5713 + 5714 41 20.853000 32.737000 24.214000 368 L A 2 "LEU " "HD13" 1 0 1 1 76.69 5714 + 5715 41 18.742000 33.054000 23.511000 368 L A 2 "LEU " "HD21" 1 0 1 1 61.89 5715 + 5716 41 19.122000 33.083000 21.795000 368 L A 2 "LEU " "HD22" 1 0 1 1 61.89 5716 + 5717 41 17.875000 32.004000 22.411000 368 L A 2 "LEU " "HD23" 1 0 1 1 61.89 5717 + 5718 25 20.361000 31.470000 18.333000 369 P A 2 "PRO " " N " 7 0 1 1 89.05 5718 + 5719 3 20.102000 32.365000 17.189000 369 P A 2 "PRO " " CA " 6 0 1 1 88.52 5719 + 5720 2 18.863000 32.001000 16.352000 369 P A 2 "PRO " " C " 6 0 1 1 87.34 5720 + 5721 15 18.162000 32.919000 15.932000 369 P A 2 "PRO " " O " 8 0 1 1 84.8 5721 + 5722 3 21.403000 32.341000 16.368000 369 P A 2 "PRO " " CB " 6 0 1 1 89.56 5722 + 5723 3 22.121000 31.080000 16.811000 369 P A 2 "PRO " " CG " 6 0 1 1 91.45 5723 + 5724 3 21.739000 30.979000 18.278000 369 P A 2 "PRO " " CD " 6 0 1 1 84.06 5724 + 5725 41 19.949000 33.378000 17.569000 369 P A 2 "PRO " " HA " 1 0 1 1 88.52 5725 + 5726 41 22.005000 33.212000 16.628000 369 P A 2 "PRO " " HB3" 1 0 1 1 89.56 5726 + 5727 41 21.247000 32.369000 15.289000 369 P A 2 "PRO " " HB2" 1 0 1 1 89.56 5727 + 5728 41 23.199000 31.109000 16.646000 369 P A 2 "PRO " " HG3" 1 0 1 1 91.45 5728 + 5729 41 21.719000 30.224000 16.269000 369 P A 2 "PRO " " HG2" 1 0 1 1 91.45 5729 + 5730 41 21.899000 29.965000 18.626000 369 P A 2 "PRO " " HD2" 1 0 1 1 84.06 5730 + 5731 41 22.365000 31.637000 18.882000 369 P A 2 "PRO " " HD3" 1 0 1 1 84.06 5731 + 5732 25 18.577000 30.694000 16.186000 370 F A 2 "PHE " " N " 7 0 1 1 88.34 5732 + 5733 3 17.336000 30.211000 15.576000 370 F A 2 "PHE " " CA " 6 0 1 1 89.42 5733 + 5734 2 16.097000 30.569000 16.416000 370 F A 2 "PHE " " C " 6 0 1 1 90.27 5734 + 5735 15 15.117000 31.052000 15.849000 370 F A 2 "PHE " " O " 8 0 1 1 95.77 5735 + 5736 3 17.418000 28.693000 15.282000 370 F A 2 "PHE " " CB " 6 0 1 1 93.04 5736 + 5737 2 16.168000 28.087000 14.659000 370 F A 2 "PHE " " CG " 6 0 1 1 91.03 5737 + 5738 2 15.081000 27.683000 15.466000 370 F A 2 "PHE " " CD1" 6 0 1 1 82.9 5738 + 5739 2 16.007000 28.095000 13.256000 370 F A 2 "PHE " " CD2" 6 0 1 1 89.97 5739 + 5740 2 13.894000 27.274000 14.876000 370 F A 2 "PHE " " CE1" 6 0 1 1 75.76 5740 + 5741 2 14.815000 27.664000 12.687000 370 F A 2 "PHE " " CE2" 6 0 1 1 86.81 5741 + 5742 2 13.761000 27.260000 13.495000 370 F A 2 "PHE " " CZ " 6 0 1 1 79.59 5742 + 5743 43 19.194000 29.991000 16.569000 370 F A 2 "PHE " " H " 1 0 1 1 88.34 5743 + 5744 41 17.229000 30.719000 14.615000 370 F A 2 "PHE " " HA " 1 0 1 1 89.42 5744 + 5745 41 17.640000 28.141000 16.194000 370 F A 2 "PHE " " HB3" 1 0 1 1 93.04 5745 + 5746 41 18.255000 28.503000 14.609000 370 F A 2 "PHE " " HB2" 1 0 1 1 93.04 5746 + 5747 41 15.162000 27.705000 16.543000 370 F A 2 "PHE " " HD1" 1 0 1 1 82.9 5747 + 5748 41 16.809000 28.438000 12.619000 370 F A 2 "PHE " " HD2" 1 0 1 1 89.97 5748 + 5749 41 13.069000 26.966000 15.494000 370 F A 2 "PHE " " HE1" 1 0 1 1 75.76 5749 + 5750 41 14.702000 27.660000 11.613000 370 F A 2 "PHE " " HE2" 1 0 1 1 86.81 5750 + 5751 41 12.833000 26.939000 13.044000 370 F A 2 "PHE " " HZ " 1 0 1 1 79.59 5751 + 5752 25 16.171000 30.329000 17.740000 371 I A 2 "ILE " " N " 7 0 1 1 84.23 5752 + 5753 3 15.085000 30.593000 18.687000 371 I A 2 "ILE " " CA " 6 0 1 1 85.3 5753 + 5754 2 14.683000 32.078000 18.687000 371 I A 2 "ILE " " C " 6 0 1 1 85.84 5754 + 5755 15 13.519000 32.363000 18.431000 371 I A 2 "ILE " " O " 8 0 1 1 88.77 5755 + 5756 3 15.407000 30.155000 20.149000 371 I A 2 "ILE " " CB " 6 0 1 1 82.29 5756 + 5757 3 15.663000 28.634000 20.244000 371 I A 2 "ILE " " CG1" 6 0 1 1 84.46 5757 + 5758 3 14.319000 30.571000 21.171000 371 I A 2 "ILE " " CG2" 6 0 1 1 78.61 5758 + 5759 3 16.500000 28.218000 21.462000 371 I A 2 "ILE " " CD1" 6 0 1 1 87.85 5759 + 5760 43 17.016000 29.930000 18.127000 371 I A 2 "ILE " " H " 1 0 1 1 84.23 5760 + 5761 41 14.226000 30.013000 18.348000 371 I A 2 "ILE " " HA " 1 0 1 1 85.3 5761 + 5762 41 16.332000 30.650000 20.445000 371 I A 2 "ILE " " HB " 1 0 1 1 82.29 5762 + 5763 41 16.182000 28.279000 19.355000 371 I A 2 "ILE " "HG13" 1 0 1 1 84.46 5763 + 5764 41 14.717000 28.096000 20.251000 371 I A 2 "ILE " "HG12" 1 0 1 1 84.46 5764 + 5765 41 14.557000 30.225000 22.171000 371 I A 2 "ILE " "HG21" 1 0 1 1 78.61 5765 + 5766 41 14.212000 31.652000 21.260000 371 I A 2 "ILE " "HG22" 1 0 1 1 78.61 5766 + 5767 41 13.345000 30.162000 20.903000 371 I A 2 "ILE " "HG23" 1 0 1 1 78.61 5767 + 5768 41 16.400000 27.153000 21.649000 371 I A 2 "ILE " "HD11" 1 0 1 1 87.85 5768 + 5769 41 17.558000 28.392000 21.294000 371 I A 2 "ILE " "HD12" 1 0 1 1 87.85 5769 + 5770 41 16.223000 28.746000 22.370000 371 I A 2 "ILE " "HD13" 1 0 1 1 87.85 5770 + 5771 25 15.647000 32.986000 18.919000 372 K A 2 "LYS " " N " 7 0 1 1 92.02 5771 + 5772 3 15.428000 34.435000 18.929000 372 K A 2 "LYS " " CA " 6 0 1 1 98.67 5772 + 5773 2 14.906000 35.014000 17.603000 372 K A 2 "LYS " " C " 6 0 1 1 98.3 5773 + 5774 15 14.093000 35.937000 17.646000 372 K A 2 "LYS " " O " 8 0 1 1 98.85 5774 + 5775 3 16.710000 35.162000 19.387000 372 K A 2 "LYS " " CB " 6 0 1 1 103.15 5775 + 5776 3 16.875000 35.178000 20.915000 372 K A 2 "LYS " " CG " 6 0 1 1 105.85 5776 + 5777 3 18.107000 35.973000 21.377000 372 K A 2 "LYS " " CD " 6 0 1 1 104.41 5777 + 5778 3 18.121000 36.199000 22.897000 372 K A 2 "LYS " " CE " 6 0 1 1 110.52 5778 + 5779 32 19.344000 36.891000 23.336000 372 K A 2 "LYS " " NZ " 7 1 1 1 110.76 5779 + 5780 43 16.594000 32.672000 19.092000 372 K A 2 "LYS " " H " 1 0 1 1 92.02 5780 + 5781 41 14.648000 34.622000 19.671000 372 K A 2 "LYS " " HA " 1 0 1 1 98.67 5781 + 5782 41 16.667000 36.204000 19.066000 372 K A 2 "LYS " " HB3" 1 0 1 1 103.15 5782 + 5783 41 17.589000 34.737000 18.900000 372 K A 2 "LYS " " HB2" 1 0 1 1 103.15 5783 + 5784 41 16.931000 34.156000 21.289000 372 K A 2 "LYS " " HG3" 1 0 1 1 105.85 5784 + 5785 41 15.982000 35.616000 21.363000 372 K A 2 "LYS " " HG2" 1 0 1 1 105.85 5785 + 5786 41 18.137000 36.936000 20.865000 372 K A 2 "LYS " " HD3" 1 0 1 1 104.41 5786 + 5787 41 19.010000 35.440000 21.075000 372 K A 2 "LYS " " HD2" 1 0 1 1 104.41 5787 + 5788 41 18.050000 35.250000 23.427000 372 K A 2 "LYS " " HE3" 1 0 1 1 110.52 5788 + 5789 41 17.257000 36.794000 23.197000 372 K A 2 "LYS " " HE2" 1 0 1 1 110.52 5789 + 5790 44 19.313000 37.020000 24.338000 372 K A 2 "LYS " " HZ1" 1 0 1 1 110.76 5790 + 5791 44 20.153000 36.336000 23.095000 372 K A 2 "LYS " " HZ2" 1 0 1 1 110.76 5791 + 5792 44 19.407000 37.792000 22.883000 372 K A 2 "LYS " " HZ3" 1 0 1 1 110.76 5792 + 5793 25 15.355000 34.458000 16.465000 373 E A 2 "GLU " " N " 7 0 1 1 98.94 5793 + 5794 3 14.929000 34.881000 15.131000 373 E A 2 "GLU " " CA " 6 0 1 1 99.91 5794 + 5795 2 13.474000 34.499000 14.800000 373 E A 2 "GLU " " C " 6 0 1 1 98.62 5795 + 5796 15 12.804000 35.274000 14.118000 373 E A 2 "GLU " " O " 8 0 1 1 94.46 5796 + 5797 3 15.935000 34.346000 14.088000 373 E A 2 "GLU " " CB " 6 0 1 1 103.38 5797 + 5798 3 15.632000 34.736000 12.628000 373 E A 2 "GLU " " CG " 6 0 1 1 107.95 5798 + 5799 2 16.731000 34.266000 11.677000 373 E A 2 "GLU " " CD " 6 0 1 1 118.54 5799 + 5800 15 16.811000 33.038000 11.454000 373 E A 2 "GLU " " OE1" 8 0 1 1 125.27 5800 + 5801 18 17.476000 35.144000 11.189000 373 E A 2 "GLU " " OE2" 8 -1 1 1 125.24 5801 + 5802 43 16.026000 33.703000 16.502000 373 E A 2 "GLU " " H " 1 0 1 1 98.94 5802 + 5803 41 14.985000 35.971000 15.100000 373 E A 2 "GLU " " HA " 1 0 1 1 99.91 5803 + 5804 41 15.989000 33.258000 14.165000 373 E A 2 "GLU " " HB3" 1 0 1 1 103.38 5804 + 5805 41 16.929000 34.715000 14.345000 373 E A 2 "GLU " " HB2" 1 0 1 1 103.38 5805 + 5806 41 15.522000 35.818000 12.544000 373 E A 2 "GLU " " HG3" 1 0 1 1 107.95 5806 + 5807 41 14.691000 34.299000 12.293000 373 E A 2 "GLU " " HG2" 1 0 1 1 107.95 5807 + 5808 25 13.021000 33.324000 15.273000 374 H A 2 "HIS " " N " 7 0 1 1 102.92 5808 + 5809 3 11.753000 32.722000 14.858000 374 H A 2 "HIS " " CA " 6 0 1 1 106.93 5809 + 5810 2 10.694000 32.602000 15.965000 374 H A 2 "HIS " " C " 6 0 1 1 107.62 5810 + 5811 15 9.595000 32.154000 15.654000 374 H A 2 "HIS " " O " 8 0 1 1 113.26 5811 + 5812 3 12.031000 31.368000 14.177000 374 H A 2 "HIS " " CB " 6 0 1 1 106.03 5812 + 5813 2 12.795000 31.484000 12.886000 374 H A 2 "HIS " " CG " 6 0 1 1 108.41 5813 + 5814 25 12.251000 32.088000 11.750000 374 H A 2 "HIS " " ND1" 7 0 1 1 112.43 5814 + 5815 2 14.080000 31.078000 12.602000 374 H A 2 "HIS " " CD2" 6 0 1 1 109.97 5815 + 5816 2 13.209000 32.023000 10.836000 374 H A 2 "HIS " " CE1" 6 0 1 1 109.31 5816 + 5817 25 14.313000 31.428000 11.285000 374 H A 2 "HIS " " NE2" 7 0 1 1 111.47 5817 + 5818 43 13.629000 32.746000 15.837000 374 H A 2 "HIS " " H " 1 0 1 1 102.92 5818 + 5819 41 11.281000 33.356000 14.108000 374 H A 2 "HIS " " HA " 1 0 1 1 106.93 5819 + 5820 41 11.099000 30.854000 13.950000 374 H A 2 "HIS " " HB3" 1 0 1 1 106.03 5820 + 5821 41 12.593000 30.712000 14.840000 374 H A 2 "HIS " " HB2" 1 0 1 1 106.03 5821 + 5822 41 14.829000 30.603000 13.216000 374 H A 2 "HIS " " HD2" 1 0 1 1 109.97 5822 + 5823 41 13.109000 32.421000 9.837000 374 H A 2 "HIS " " HE1" 1 0 1 1 109.31 5823 + 5824 43 15.186000 31.325000 10.785000 374 H A 2 "HIS " " HE2" 1 0 1 1 111.47 5824 + 5825 25 10.981000 33.024000 17.209000 375 I A 2 "ILE " " N " 7 0 0 1 102.86 5825 + 5826 3 10.026000 33.001000 18.331000 375 I A 2 "ILE " " CA " 6 0 0 1 99.42 5826 + 5827 2 8.797000 33.921000 18.127000 375 I A 2 "ILE " " C " 6 0 0 1 102.7 5827 + 5828 15 7.726000 33.611000 18.648000 375 I A 2 "ILE " " O " 8 0 0 1 99.84 5828 + 5829 3 10.725000 33.333000 19.688000 375 I A 2 "ILE " " CB " 6 0 0 1 94.57 5829 + 5830 3 9.859000 33.101000 20.946000 375 I A 2 "ILE " " CG1" 6 0 0 1 84.43 5830 + 5831 3 11.358000 34.738000 19.729000 375 I A 2 "ILE " " CG2" 6 0 0 1 103.51 5831 + 5832 3 9.435000 31.636000 21.119000 375 I A 2 "ILE " " CD1" 6 0 0 1 70.6 5832 + 5833 43 11.912000 33.359000 17.420000 375 I A 2 "ILE " " H " 1 0 0 1 102.86 5833 + 5834 41 9.645000 31.981000 18.384000 375 I A 2 "ILE " " HA " 1 0 0 1 99.42 5834 + 5835 41 11.542000 32.623000 19.794000 375 I A 2 "ILE " " HB " 1 0 0 1 94.57 5835 + 5836 41 8.983000 33.750000 20.952000 375 I A 2 "ILE " "HG13" 1 0 0 1 84.43 5836 + 5837 41 10.432000 33.385000 21.830000 375 I A 2 "ILE " "HG12" 1 0 0 1 84.43 5837 + 5838 41 11.987000 34.855000 20.611000 375 I A 2 "ILE " "HG21" 1 0 0 1 103.51 5838 + 5839 41 11.989000 34.916000 18.860000 375 I A 2 "ILE " "HG22" 1 0 0 1 103.51 5839 + 5840 41 10.607000 35.523000 19.760000 375 I A 2 "ILE " "HG23" 1 0 0 1 103.51 5840 + 5841 41 9.015000 31.470000 22.111000 375 I A 2 "ILE " "HD11" 1 0 0 1 70.6 5841 + 5842 41 8.683000 31.355000 20.384000 375 I A 2 "ILE " "HD12" 1 0 0 1 70.6 5842 + 5843 41 10.281000 30.958000 21.003000 375 I A 2 "ILE " "HD13" 1 0 0 1 70.6 5843 + 5844 25 8.965000 34.989000 17.327000 376 K A 2 "LYS " " N " 7 0 0 1 104.02 5844 + 5845 3 7.915000 35.919000 16.910000 376 K A 2 "LYS " " CA " 6 0 0 1 110.16 5845 + 5846 2 7.697000 35.863000 15.383000 376 K A 2 "LYS " " C " 6 0 0 1 112.81 5846 + 5847 15 7.404000 36.895000 14.777000 376 K A 2 "LYS " " O " 8 0 0 1 117.18 5847 + 5848 3 8.270000 37.343000 17.397000 376 K A 2 "LYS " " CB " 6 0 0 1 114.67 5848 + 5849 3 8.205000 37.519000 18.921000 376 K A 2 "LYS " " CG " 6 0 0 1 120.88 5849 + 5850 3 8.579000 38.945000 19.348000 376 K A 2 "LYS " " CD " 6 0 0 1 123.26 5850 + 5851 3 8.641000 39.092000 20.870000 376 K A 2 "LYS " " CE " 6 0 0 1 125.35 5851 + 5852 32 8.962000 40.471000 21.271000 376 K A 2 "LYS " " NZ " 7 1 0 1 122.32 5852 + 5853 43 9.878000 35.153000 16.928000 376 K A 2 "LYS " " H " 1 0 0 1 104.02 5853 + 5854 41 6.960000 35.637000 17.356000 376 K A 2 "LYS " " HA " 1 0 0 1 110.16 5854 + 5855 41 7.573000 38.067000 16.971000 376 K A 2 "LYS " " HB3" 1 0 0 1 114.67 5855 + 5856 41 9.259000 37.622000 17.030000 376 K A 2 "LYS " " HB2" 1 0 0 1 114.67 5856 + 5857 41 8.866000 36.808000 19.408000 376 K A 2 "LYS " " HG3" 1 0 0 1 120.88 5857 + 5858 41 7.199000 37.284000 19.272000 376 K A 2 "LYS " " HG2" 1 0 0 1 120.88 5858 + 5859 41 7.850000 39.647000 18.942000 376 K A 2 "LYS " " HD3" 1 0 0 1 123.26 5859 + 5860 41 9.543000 39.215000 18.915000 376 K A 2 "LYS " " HD2" 1 0 0 1 123.26 5860 + 5861 41 9.406000 38.424000 21.267000 376 K A 2 "LYS " " HE3" 1 0 0 1 125.35 5861 + 5862 41 7.686000 38.809000 21.314000 376 K A 2 "LYS " " HE2" 1 0 0 1 125.35 5862 + 5863 44 8.248000 41.097000 20.927000 376 K A 2 "LYS " " HZ1" 1 0 0 1 122.32 5863 + 5864 44 9.001000 40.530000 22.279000 376 K A 2 "LYS " " HZ2" 1 0 0 1 122.32 5864 + 5865 44 9.856000 40.736000 20.883000 376 K A 2 "LYS " " HZ3" 1 0 0 1 122.32 5865 + 5866 25 7.827000 34.670000 14.772000 377 N A 2 "ASN " " N " 7 0 0 1 115.92 5866 + 5867 3 7.573000 34.471000 13.341000 377 N A 2 "ASN " " CA " 6 0 0 1 112.74 5867 + 5868 2 6.048000 34.416000 13.066000 377 N A 2 "ASN " " C " 6 0 0 1 108.39 5868 + 5869 15 5.355000 33.693000 13.785000 377 N A 2 "ASN " " O " 8 0 0 1 101.63 5869 + 5870 3 8.249000 33.164000 12.866000 377 N A 2 "ASN " " CB " 6 0 0 1 114.14 5870 + 5871 2 8.432000 33.134000 11.344000 377 N A 2 "ASN " " CG " 6 0 0 1 112.84 5871 + 5872 15 7.480000 32.901000 10.607000 377 N A 2 "ASN " " OD1" 8 0 0 1 115.99 5872 + 5873 25 9.647000 33.379000 10.855000 377 N A 2 "ASN " " ND2" 7 0 0 1 104.32 5873 + 5874 43 8.077000 33.850000 15.307000 377 N A 2 "ASN " " H " 1 0 0 1 115.92 5874 + 5875 41 8.041000 35.288000 12.796000 377 N A 2 "ASN " " HA " 1 0 0 1 112.74 5875 + 5876 41 7.713000 32.277000 13.209000 377 N A 2 "ASN " " HB3" 1 0 0 1 114.14 5876 + 5877 41 9.245000 33.096000 13.295000 377 N A 2 "ASN " " HB2" 1 0 0 1 114.14 5877 + 5878 43 9.799000 33.368000 9.858000 377 N A 2 "ASN " "HD22" 1 0 0 1 104.32 5878 + 5879 43 10.436000 33.525000 11.471000 377 N A 2 "ASN " "HD21" 1 0 0 1 104.32 5879 + 5880 25 5.547000 35.138000 12.031000 378 P A 2 "PRO " " N " 7 0 0 1 105.7 5880 + 5881 3 4.150000 35.018000 11.556000 378 P A 2 "PRO " " CA " 6 0 0 1 103.63 5881 + 5882 2 3.670000 33.611000 11.152000 378 P A 2 "PRO " " C " 6 0 0 1 103.68 5882 + 5883 15 2.485000 33.330000 11.324000 378 P A 2 "PRO " " O " 8 0 0 1 98.49 5883 + 5884 3 4.076000 35.967000 10.349000 378 P A 2 "PRO " " CB " 6 0 0 1 101.45 5884 + 5885 3 5.171000 36.984000 10.594000 378 P A 2 "PRO " " CG " 6 0 0 1 103.12 5885 + 5886 3 6.261000 36.164000 11.266000 378 P A 2 "PRO " " CD " 6 0 0 1 105.01 5886 + 5887 41 3.509000 35.398000 12.354000 378 P A 2 "PRO " " HA " 1 0 0 1 103.63 5887 + 5888 41 3.096000 36.434000 10.241000 378 P A 2 "PRO " " HB3" 1 0 0 1 101.45 5888 + 5889 41 4.289000 35.434000 9.420000 378 P A 2 "PRO " " HB2" 1 0 0 1 101.45 5889 + 5890 41 4.807000 37.742000 11.289000 378 P A 2 "PRO " " HG3" 1 0 0 1 103.12 5890 + 5891 41 5.505000 37.491000 9.688000 378 P A 2 "PRO " " HG2" 1 0 0 1 103.12 5891 + 5892 41 6.897000 35.681000 10.523000 378 P A 2 "PRO " " HD2" 1 0 0 1 105.01 5892 + 5893 41 6.875000 36.819000 11.885000 378 P A 2 "PRO " " HD3" 1 0 0 1 105.01 5893 + 5894 25 4.574000 32.761000 10.636000 379 D A 2 "ASP " " N " 7 0 0 1 105.54 5894 + 5895 3 4.293000 31.363000 10.320000 379 D A 2 "ASP " " CA " 6 0 0 1 105.93 5895 + 5896 2 4.330000 30.555000 11.625000 379 D A 2 "ASP " " C " 6 0 0 1 105.53 5896 + 5897 15 5.361000 30.549000 12.298000 379 D A 2 "ASP " " O " 8 0 0 1 105.61 5897 + 5898 3 5.294000 30.789000 9.287000 379 D A 2 "ASP " " CB " 6 0 0 1 106.96 5898 + 5899 2 4.941000 29.385000 8.780000 379 D A 2 "ASP " " CG " 6 0 0 1 109.62 5899 + 5900 15 3.736000 29.053000 8.759000 379 D A 2 "ASP " " OD1" 8 0 0 1 111.09 5900 + 5901 18 5.881000 28.682000 8.356000 379 D A 2 "ASP " " OD2" 8 -1 0 1 117.76 5901 + 5902 43 5.539000 33.049000 10.528000 379 D A 2 "ASP " " H " 1 0 0 1 105.54 5902 + 5903 41 3.289000 31.313000 9.892000 379 D A 2 "ASP " " HA " 1 0 0 1 105.93 5903 + 5904 41 6.285000 30.738000 9.740000 379 D A 2 "ASP " " HB3" 1 0 0 1 106.96 5904 + 5905 41 5.366000 31.456000 8.427000 379 D A 2 "ASP " " HB2" 1 0 0 1 106.96 5905 + 5906 25 3.216000 29.866000 11.925000 380 W A 2 "TRP " " N " 7 0 1 1 103.44 5906 + 5907 3 3.049000 29.005000 13.100000 380 W A 2 "TRP " " CA " 6 0 1 1 104.81 5907 + 5908 2 4.064000 27.849000 13.169000 380 W A 2 "TRP " " C " 6 0 1 1 105.4 5908 + 5909 15 4.350000 27.384000 14.268000 380 W A 2 "TRP " " O " 8 0 1 1 108.57 5909 + 5910 3 1.604000 28.465000 13.133000 380 W A 2 "TRP " " CB " 6 0 1 1 103.65 5910 + 5911 2 1.221000 27.470000 12.070000 380 W A 2 "TRP " " CG " 6 0 1 1 105.63 5911 + 5912 2 0.768000 27.776000 10.832000 380 W A 2 "TRP " " CD1" 6 0 1 1 109.6 5912 + 5913 2 1.341000 26.013000 12.099000 380 W A 2 "TRP " " CD2" 6 0 1 1 104.61 5913 + 5914 25 0.559000 26.616000 10.115000 380 W A 2 "TRP " " NE1" 7 0 1 1 110.86 5914 + 5915 2 0.893000 25.495000 10.846000 380 W A 2 "TRP " " CE2" 6 0 1 1 108.27 5915 + 5916 2 1.792000 25.071000 13.056000 380 W A 2 "TRP " " CE3" 6 0 1 1 104.42 5916 + 5917 2 0.868000 24.117000 10.565000 380 W A 2 "TRP " " CZ2" 6 0 1 1 108.19 5917 + 5918 2 1.802000 23.690000 12.772000 380 W A 2 "TRP " " CZ3" 6 0 1 1 101.5 5918 + 5919 2 1.335000 23.210000 11.533000 380 W A 2 "TRP " " CH2" 6 0 1 1 101.05 5919 + 5920 43 2.432000 29.904000 11.290000 380 W A 2 "TRP " " H " 1 0 1 1 103.44 5920 + 5921 41 3.197000 29.635000 13.979000 380 W A 2 "TRP " " HA " 1 0 1 1 104.81 5921 + 5922 41 0.898000 29.296000 13.105000 380 W A 2 "TRP " " HB3" 1 0 1 1 103.65 5922 + 5923 41 1.442000 27.978000 14.095000 380 W A 2 "TRP " " HB2" 1 0 1 1 103.65 5923 + 5924 41 0.597000 28.781000 10.476000 380 W A 2 "TRP " " HD1" 1 0 1 1 109.6 5924 + 5925 43 0.208000 26.621000 9.168000 380 W A 2 "TRP " " HE1" 1 0 1 1 110.86 5925 + 5926 41 2.151000 25.416000 14.015000 380 W A 2 "TRP " " HE3" 1 0 1 1 104.42 5926 + 5927 41 0.508000 23.757000 9.614000 380 W A 2 "TRP " " HZ2" 1 0 1 1 108.19 5927 + 5928 41 2.175000 22.994000 13.507000 380 W A 2 "TRP " " HZ3" 1 0 1 1 101.5 5928 + 5929 41 1.344000 22.150000 11.325000 380 W A 2 "TRP " " HH2" 1 0 1 1 101.05 5929 + 5930 25 4.579000 27.415000 12.005000 381 R A 2 "ARG " " N " 7 0 1 1 102.71 5930 + 5931 3 5.529000 26.318000 11.854000 381 R A 2 "ARG " " CA " 6 0 1 1 100.03 5931 + 5932 2 6.920000 26.681000 12.394000 381 R A 2 "ARG " " C " 6 0 1 1 95.82 5932 + 5933 15 7.428000 25.969000 13.256000 381 R A 2 "ARG " " O " 8 0 1 1 92.95 5933 + 5934 3 5.623000 25.879000 10.381000 381 R A 2 "ARG " " CB " 6 0 1 1 102.16 5934 + 5935 3 4.278000 25.774000 9.644000 381 R A 2 "ARG " " CG " 6 0 1 1 108.24 5935 + 5936 3 4.436000 25.361000 8.177000 381 R A 2 "ARG " " CD " 6 0 1 1 109.56 5936 + 5937 25 4.598000 23.909000 8.038000 381 R A 2 "ARG " " NE " 7 0 1 1 114.44 5937 + 5938 2 3.584000 23.064000 7.790000 381 R A 2 "ARG " " CZ " 6 0 1 1 114.21 5938 + 5939 25 2.334000 23.506000 7.607000 381 R A 2 "ARG " " NH1" 7 0 1 1 113.57 5939 + 5940 31 3.813000 21.751000 7.719000 381 R A 2 "ARG " " NH2" 7 1 1 1 117.5 5940 + 5941 43 4.283000 27.859000 11.147000 381 R A 2 "ARG " " H " 1 0 1 1 102.71 5941 + 5942 41 5.146000 25.480000 12.436000 381 R A 2 "ARG " " HA " 1 0 1 1 100.03 5942 + 5943 41 6.154000 24.931000 10.325000 381 R A 2 "ARG " " HB3" 1 0 1 1 102.16 5943 + 5944 41 6.234000 26.598000 9.838000 381 R A 2 "ARG " " HB2" 1 0 1 1 102.16 5944 + 5945 41 3.687000 26.686000 9.700000 381 R A 2 "ARG " " HG3" 1 0 1 1 108.24 5945 + 5946 41 3.699000 25.012000 10.167000 381 R A 2 "ARG " " HG2" 1 0 1 1 108.24 5946 + 5947 41 5.396000 25.745000 7.833000 381 R A 2 "ARG " " HD3" 1 0 1 1 109.56 5947 + 5948 41 3.697000 25.807000 7.512000 381 R A 2 "ARG " " HD2" 1 0 1 1 109.56 5948 + 5949 43 5.511000 23.532000 8.259000 381 R A 2 "ARG " " HE " 1 0 1 1 114.44 5949 + 5950 43 1.589000 22.831000 7.428000 381 R A 2 "ARG " "HH12" 1 0 1 1 113.57 5950 + 5951 43 2.124000 24.491000 7.653000 381 R A 2 "ARG " "HH11" 1 0 1 1 113.57 5951 + 5952 44 3.041000 21.113000 7.564000 381 R A 2 "ARG " "HH22" 1 0 1 1 117.5 5952 + 5953 44 4.732000 21.374000 7.894000 381 R A 2 "ARG " "HH21" 1 0 1 1 117.5 5953 + 5954 25 7.486000 27.802000 11.909000 382 Y A 2 "TYR " " N " 7 0 1 1 90.72 5954 + 5955 3 8.743000 28.379000 12.400000 382 Y A 2 "TYR " " CA " 6 0 1 1 89.45 5955 + 5956 2 8.639000 28.895000 13.843000 382 Y A 2 "TYR " " C " 6 0 1 1 92.46 5956 + 5957 15 9.630000 28.827000 14.568000 382 Y A 2 "TYR " " O " 8 0 1 1 98.96 5957 + 5958 3 9.214000 29.507000 11.463000 382 Y A 2 "TYR " " CB " 6 0 1 1 83.7 5958 + 5959 2 9.960000 29.023000 10.236000 382 Y A 2 "TYR " " CG " 6 0 1 1 85.21 5959 + 5960 2 9.249000 28.610000 9.094000 382 Y A 2 "TYR " " CD1" 6 0 1 1 88.68 5960 + 5961 2 11.370000 28.983000 10.231000 382 Y A 2 "TYR " " CD2" 6 0 1 1 92.89 5961 + 5962 2 9.938000 28.177000 7.947000 382 Y A 2 "TYR " " CE1" 6 0 1 1 95.86 5962 + 5963 2 12.063000 28.537000 9.088000 382 Y A 2 "TYR " " CE2" 6 0 1 1 99.08 5963 + 5964 2 11.345000 28.131000 7.946000 382 Y A 2 "TYR " " CZ " 6 0 1 1 97 5964 + 5965 16 12.007000 27.685000 6.840000 382 Y A 2 "TYR " " OH " 8 0 1 1 103.13 5965 + 5966 43 7.003000 28.332000 11.196000 382 Y A 2 "TYR " " H " 1 0 1 1 90.72 5966 + 5967 41 9.493000 27.586000 12.387000 382 Y A 2 "TYR " " HA " 1 0 1 1 89.45 5967 + 5968 41 9.897000 30.173000 11.991000 382 Y A 2 "TYR " " HB3" 1 0 1 1 83.7 5968 + 5969 41 8.373000 30.135000 11.166000 382 Y A 2 "TYR " " HB2" 1 0 1 1 83.7 5969 + 5970 41 8.174000 28.633000 9.098000 382 Y A 2 "TYR " " HD1" 1 0 1 1 88.68 5970 + 5971 41 11.926000 29.283000 11.107000 382 Y A 2 "TYR " " HD2" 1 0 1 1 92.89 5971 + 5972 41 9.384000 27.867000 7.074000 382 Y A 2 "TYR " " HE1" 1 0 1 1 95.86 5972 + 5973 41 13.142000 28.499000 9.098000 382 Y A 2 "TYR " " HE2" 1 0 1 1 99.08 5973 + 5974 42 12.953000 27.588000 6.982000 382 Y A 2 "TYR " " HH " 1 0 1 1 103.13 5974 + 5975 25 7.444000 29.366000 14.239000 383 R A 2 "ARG " " N " 7 0 1 1 91.02 5975 + 5976 3 7.143000 29.796000 15.601000 383 R A 2 "ARG " " CA " 6 0 1 1 92.32 5976 + 5977 2 7.204000 28.625000 16.588000 383 R A 2 "ARG " " C " 6 0 1 1 91.7 5977 + 5978 15 7.966000 28.696000 17.548000 383 R A 2 "ARG " " O " 8 0 1 1 93.18 5978 + 5979 3 5.792000 30.528000 15.634000 383 R A 2 "ARG " " CB " 6 0 1 1 97.95 5979 + 5980 3 5.646000 31.503000 16.812000 383 R A 2 "ARG " " CG " 6 0 1 1 100.99 5980 + 5981 3 4.209000 32.005000 17.005000 383 R A 2 "ARG " " CD " 6 0 1 1 100.88 5981 + 5982 25 3.616000 32.481000 15.747000 383 R A 2 "ARG " " NE " 7 0 1 1 96.09 5982 + 5983 2 2.422000 32.120000 15.249000 383 R A 2 "ARG " " CZ " 6 0 1 1 96.37 5983 + 5984 25 1.596000 31.306000 15.908000 383 R A 2 "ARG " " NH1" 7 0 1 1 88.9 5984 + 5985 31 2.035000 32.582000 14.060000 383 R A 2 "ARG " " NH2" 7 1 1 1 93.99 5985 + 5986 43 6.681000 29.410000 13.577000 383 R A 2 "ARG " " H " 1 0 1 1 91.02 5986 + 5987 41 7.909000 30.500000 15.909000 383 R A 2 "ARG " " HA " 1 0 1 1 92.32 5987 + 5988 41 4.971000 29.810000 15.627000 383 R A 2 "ARG " " HB3" 1 0 1 1 97.95 5988 + 5989 41 5.690000 31.117000 14.725000 383 R A 2 "ARG " " HB2" 1 0 1 1 97.95 5989 + 5990 41 6.364000 32.321000 16.772000 383 R A 2 "ARG " " HG3" 1 0 1 1 100.99 5990 + 5991 41 5.887000 30.934000 17.711000 383 R A 2 "ARG " " HG2" 1 0 1 1 100.99 5991 + 5992 41 4.248000 32.906000 17.617000 383 R A 2 "ARG " " HD3" 1 0 1 1 100.88 5992 + 5993 41 3.600000 31.293000 17.558000 383 R A 2 "ARG " " HD2" 1 0 1 1 100.88 5993 + 5994 43 4.198000 33.099000 15.192000 383 R A 2 "ARG " " HE " 1 0 1 1 96.09 5994 + 5995 43 0.695000 31.056000 15.530000 383 R A 2 "ARG " "HH12" 1 0 1 1 88.9 5995 + 5996 43 1.788000 31.059000 16.873000 383 R A 2 "ARG " "HH11" 1 0 1 1 88.9 5996 + 5997 44 1.137000 32.328000 13.676000 383 R A 2 "ARG " "HH22" 1 0 1 1 93.99 5997 + 5998 44 2.645000 33.173000 13.513000 383 R A 2 "ARG " "HH21" 1 0 1 1 93.99 5998 + 5999 25 6.469000 27.546000 16.274000 384 D A 2 "ASP " " N " 7 0 1 1 90.75 5999 + 6000 3 6.466000 26.272000 16.991000 384 D A 2 "ASP " " CA " 6 0 1 1 89.03 6000 + 6001 2 7.867000 25.631000 17.059000 384 D A 2 "ASP " " C " 6 0 1 1 87.02 6001 + 6002 15 8.221000 25.100000 18.109000 384 D A 2 "ASP " " O " 8 0 1 1 82.03 6002 + 6003 3 5.450000 25.302000 16.357000 384 D A 2 "ASP " " CB " 6 0 1 1 88.83 6003 + 6004 2 5.268000 24.002000 17.131000 384 D A 2 "ASP " " CG " 6 0 1 1 90.98 6004 + 6005 15 4.599000 24.089000 18.177000 384 D A 2 "ASP " " OD1" 8 0 1 1 89.48 6005 + 6006 18 5.764000 22.953000 16.665000 384 D A 2 "ASP " " OD2" 8 -1 1 1 95.71 6006 + 6007 43 5.877000 27.578000 15.454000 384 D A 2 "ASP " " H " 1 0 1 1 90.75 6007 + 6008 41 6.146000 26.485000 18.013000 384 D A 2 "ASP " " HA " 1 0 1 1 89.03 6008 + 6009 41 5.729000 25.093000 15.330000 384 D A 2 "ASP " " HB3" 1 0 1 1 88.83 6009 + 6010 41 4.463000 25.748000 16.265000 384 D A 2 "ASP " " HB2" 1 0 1 1 88.83 6010 + 6011 25 8.641000 25.728000 15.962000 385 A A 2 "ALA " " N " 7 0 1 1 84.73 6011 + 6012 3 10.022000 25.258000 15.875000 385 A A 2 "ALA " " CA " 6 0 1 1 83.82 6012 + 6013 2 10.961000 25.963000 16.864000 385 A A 2 "ALA " " C " 6 0 1 1 89.62 6013 + 6014 15 11.776000 25.282000 17.478000 385 A A 2 "ALA " " O " 8 0 1 1 90.48 6014 + 6015 3 10.541000 25.403000 14.436000 385 A A 2 "ALA " " CB " 6 0 1 1 74.9 6015 + 6016 43 8.264000 26.159000 15.128000 385 A A 2 "ALA " " H " 1 0 1 1 84.73 6016 + 6017 41 10.013000 24.195000 16.124000 385 A A 2 "ALA " " HA " 1 0 1 1 83.82 6017 + 6018 41 11.540000 24.978000 14.335000 385 A A 2 "ALA " " HB1" 1 0 1 1 74.9 6018 + 6019 41 9.894000 24.887000 13.728000 385 A A 2 "ALA " " HB2" 1 0 1 1 74.9 6019 + 6020 41 10.602000 26.445000 14.130000 385 A A 2 "ALA " " HB3" 1 0 1 1 74.9 6020 + 6021 25 10.818000 27.292000 17.021000 386 A A 2 "ALA " " N " 7 0 1 1 86.98 6021 + 6022 3 11.580000 28.100000 17.977000 386 A A 2 "ALA " " CA " 6 0 1 1 80.59 6022 + 6023 2 11.235000 27.797000 19.442000 386 A A 2 "ALA " " C " 6 0 1 1 80.89 6023 + 6024 15 12.147000 27.743000 20.266000 386 A A 2 "ALA " " O " 8 0 1 1 87.7 6024 + 6025 3 11.369000 29.587000 17.675000 386 A A 2 "ALA " " CB " 6 0 1 1 83.16 6025 + 6026 43 10.126000 27.785000 16.472000 386 A A 2 "ALA " " H " 1 0 1 1 86.98 6026 + 6027 41 12.640000 27.881000 17.836000 386 A A 2 "ALA " " HA " 1 0 1 1 80.59 6027 + 6028 41 11.812000 30.222000 18.442000 386 A A 2 "ALA " " HB1" 1 0 1 1 83.16 6028 + 6029 41 11.830000 29.851000 16.726000 386 A A 2 "ALA " " HB2" 1 0 1 1 83.16 6029 + 6030 41 10.311000 29.840000 17.610000 386 A A 2 "ALA " " HB3" 1 0 1 1 83.16 6030 + 6031 25 9.942000 27.572000 19.734000 387 V A 2 "VAL " " N " 7 0 1 1 77.05 6031 + 6032 3 9.458000 27.188000 21.062000 387 V A 2 "VAL " " CA " 6 0 1 1 76.75 6032 + 6033 2 9.925000 25.763000 21.441000 387 V A 2 "VAL " " C " 6 0 1 1 83.32 6033 + 6034 15 10.366000 25.566000 22.573000 387 V A 2 "VAL " " O " 8 0 1 1 84.13 6034 + 6035 3 7.906000 27.265000 21.166000 387 V A 2 "VAL " " CB " 6 0 1 1 76.75 6035 + 6036 3 7.352000 26.882000 22.551000 387 V A 2 "VAL " " CG1" 6 0 1 1 69.46 6036 + 6037 3 7.383000 28.677000 20.857000 387 V A 2 "VAL " " CG2" 6 0 1 1 71.61 6037 + 6038 43 9.245000 27.644000 19.004000 387 V A 2 "VAL " " H " 1 0 1 1 77.05 6038 + 6039 41 9.883000 27.885000 21.788000 387 V A 2 "VAL " " HA " 1 0 1 1 76.75 6039 + 6040 41 7.479000 26.585000 20.428000 387 V A 2 "VAL " " HB " 1 0 1 1 76.75 6040 + 6041 41 6.265000 26.934000 22.538000 387 V A 2 "VAL " "HG11" 1 0 1 1 69.46 6041 + 6042 41 7.619000 25.878000 22.868000 387 V A 2 "VAL " "HG12" 1 0 1 1 69.46 6042 + 6043 41 7.707000 27.565000 23.324000 387 V A 2 "VAL " "HG13" 1 0 1 1 69.46 6043 + 6044 41 6.294000 28.696000 20.801000 387 V A 2 "VAL " "HG21" 1 0 1 1 71.61 6044 + 6045 41 7.686000 29.370000 21.641000 387 V A 2 "VAL " "HG22" 1 0 1 1 71.61 6045 + 6046 41 7.764000 29.076000 19.924000 387 V A 2 "VAL " "HG23" 1 0 1 1 71.61 6046 + 6047 25 9.874000 24.825000 20.476000 388 M A 2 "MET " " N " 7 0 1 1 87.18 6047 + 6048 3 10.373000 23.453000 20.592000 388 M A 2 "MET " " CA " 6 0 1 1 84.33 6048 + 6049 2 11.894000 23.404000 20.804000 388 M A 2 "MET " " C " 6 0 1 1 87.2 6049 + 6050 15 12.342000 22.713000 21.716000 388 M A 2 "MET " " O " 8 0 1 1 92.94 6050 + 6051 3 9.949000 22.634000 19.349000 388 M A 2 "MET " " CB " 6 0 1 1 75.31 6051 + 6052 3 10.350000 21.146000 19.360000 388 M A 2 "MET " " CG " 6 0 1 1 78.11 6052 + 6053 49 9.538000 20.131000 20.625000 388 M A 2 "MET " " SD " 16 0 1 1 81.8 6053 + 6054 3 7.916000 19.887000 19.852000 388 M A 2 "MET " " CE " 6 0 1 1 84.23 6054 + 6055 43 9.477000 25.069000 19.577000 388 M A 2 "MET " " H " 1 0 1 1 87.18 6055 + 6056 41 9.896000 23.012000 21.470000 388 M A 2 "MET " " HA " 1 0 1 1 84.33 6056 + 6057 41 10.364000 23.094000 18.451000 388 M A 2 "MET " " HB3" 1 0 1 1 75.31 6057 + 6058 41 8.869000 22.698000 19.225000 388 M A 2 "MET " " HB2" 1 0 1 1 75.31 6058 + 6059 41 11.427000 21.036000 19.482000 388 M A 2 "MET " " HG3" 1 0 1 1 78.11 6059 + 6060 41 10.123000 20.710000 18.388000 388 M A 2 "MET " " HG2" 1 0 1 1 78.11 6060 + 6061 41 7.276000 19.294000 20.505000 388 M A 2 "MET " " HE1" 1 0 1 1 84.23 6061 + 6062 41 7.426000 20.842000 19.668000 388 M A 2 "MET " " HE2" 1 0 1 1 84.23 6062 + 6063 41 8.021000 19.362000 18.902000 388 M A 2 "MET " " HE3" 1 0 1 1 84.23 6063 + 6064 25 12.646000 24.153000 19.977000 389 A A 2 "ALA " " N " 7 0 1 1 84.78 6064 + 6065 3 14.104000 24.278000 20.028000 389 A A 2 "ALA " " CA " 6 0 1 1 81.88 6065 + 6066 2 14.621000 24.824000 21.367000 389 A A 2 "ALA " " C " 6 0 1 1 83.37 6066 + 6067 15 15.629000 24.316000 21.859000 389 A A 2 "ALA " " O " 8 0 1 1 89.17 6067 + 6068 3 14.587000 25.149000 18.858000 389 A A 2 "ALA " " CB " 6 0 1 1 78.73 6068 + 6069 43 12.190000 24.678000 19.241000 389 A A 2 "ALA " " H " 1 0 1 1 84.78 6069 + 6070 41 14.520000 23.277000 19.897000 389 A A 2 "ALA " " HA " 1 0 1 1 81.88 6070 + 6071 41 15.664000 25.302000 18.891000 389 A A 2 "ALA " " HB1" 1 0 1 1 78.73 6071 + 6072 41 14.362000 24.677000 17.901000 389 A A 2 "ALA " " HB2" 1 0 1 1 78.73 6072 + 6073 41 14.115000 26.131000 18.863000 389 A A 2 "ALA " " HB3" 1 0 1 1 78.73 6073 + 6074 25 13.893000 25.794000 21.956000 390 F A 2 "PHE " " N " 7 0 1 1 82.61 6074 + 6075 3 14.142000 26.310000 23.304000 390 F A 2 "PHE " " CA " 6 0 1 1 86.33 6075 + 6076 2 13.938000 25.230000 24.373000 390 F A 2 "PHE " " C " 6 0 1 1 88.77 6076 + 6077 15 14.829000 25.044000 25.197000 390 F A 2 "PHE " " O " 8 0 1 1 98.06 6077 + 6078 3 13.293000 27.572000 23.576000 390 F A 2 "PHE " " CB " 6 0 1 1 89.57 6078 + 6079 2 13.578000 28.260000 24.906000 390 F A 2 "PHE " " CG " 6 0 1 1 96.28 6079 + 6080 2 14.623000 29.204000 25.010000 390 F A 2 "PHE " " CD1" 6 0 1 1 98.1 6080 + 6081 2 12.944000 27.825000 26.089000 390 F A 2 "PHE " " CD2" 6 0 1 1 94.43 6081 + 6082 2 14.978000 29.725000 26.246000 390 F A 2 "PHE " " CE1" 6 0 1 1 95.22 6082 + 6083 2 13.323000 28.343000 27.319000 390 F A 2 "PHE " " CE2" 6 0 1 1 91.36 6083 + 6084 2 14.335000 29.289000 27.395000 390 F A 2 "PHE " " CZ " 6 0 1 1 96.72 6084 + 6085 43 13.083000 26.166000 21.478000 390 F A 2 "PHE " " H " 1 0 1 1 82.61 6085 + 6086 41 15.188000 26.605000 23.366000 390 F A 2 "PHE " " HA " 1 0 1 1 86.33 6086 + 6087 41 12.231000 27.328000 23.525000 390 F A 2 "PHE " " HB3" 1 0 1 1 89.57 6087 + 6088 41 13.465000 28.294000 22.779000 390 F A 2 "PHE " " HB2" 1 0 1 1 89.57 6088 + 6089 41 15.167000 29.522000 24.138000 390 F A 2 "PHE " " HD1" 1 0 1 1 98.1 6089 + 6090 41 12.185000 27.064000 26.044000 390 F A 2 "PHE " " HD2" 1 0 1 1 94.43 6090 + 6091 41 15.776000 30.449000 26.318000 390 F A 2 "PHE " " HE1" 1 0 1 1 95.22 6091 + 6092 41 12.850000 27.991000 28.222000 390 F A 2 "PHE " " HE2" 1 0 1 1 91.36 6092 + 6093 41 14.649000 29.667000 28.354000 390 F A 2 "PHE " " HZ " 1 0 1 1 96.72 6093 + 6094 25 12.796000 24.522000 24.312000 391 G A 2 "GLY " " N " 7 0 1 1 84.06 6094 + 6095 3 12.429000 23.466000 25.254000 391 G A 2 "GLY " " CA " 6 0 1 1 77.48 6095 + 6096 2 13.389000 22.266000 25.216000 391 G A 2 "GLY " " C " 6 0 1 1 84.01 6096 + 6097 15 13.596000 21.636000 26.252000 391 G A 2 "GLY " " O " 8 0 1 1 80.78 6097 + 6098 43 12.128000 24.731000 23.582000 391 G A 2 "GLY " " H " 1 0 1 1 84.06 6098 + 6099 41 11.421000 23.124000 25.025000 391 G A 2 "GLY " " HA3" 1 0 1 1 77.48 6099 + 6100 41 12.397000 23.880000 26.259000 391 G A 2 "GLY " " HA2" 1 0 1 1 77.48 6100 + 6101 25 13.994000 21.971000 24.051000 392 C A 2 "CYS " " N " 7 0 1 1 84.9 6101 + 6102 3 14.941000 20.872000 23.849000 392 C A 2 "CYS " " CA " 6 0 1 1 89.73 6102 + 6103 2 16.262000 21.066000 24.616000 392 C A 2 "CYS " " C " 6 0 1 1 86.81 6103 + 6104 15 16.742000 20.107000 25.221000 392 C A 2 "CYS " " O " 8 0 1 1 89.9 6104 + 6105 3 15.258000 20.629000 22.359000 392 C A 2 "CYS " " CB " 6 0 1 1 93.08 6105 + 6106 49 13.838000 19.902000 21.495000 392 C A 2 "CYS " " SG " 16 0 1 1 98.89 6106 + 6107 43 13.769000 22.519000 23.231000 392 C A 2 "CYS " " H " 1 0 1 1 84.9 6107 + 6108 41 14.468000 19.975000 24.251000 392 C A 2 "CYS " " HA " 1 0 1 1 89.73 6108 + 6109 41 16.090000 19.933000 22.255000 392 C A 2 "CYS " " HB3" 1 0 1 1 93.08 6109 + 6110 41 15.550000 21.553000 21.858000 392 C A 2 "CYS " " HB2" 1 0 1 1 93.08 6110 + 6111 41 13.060000 20.989000 21.573000 392 C A 2 "CYS " " HG " 1 0 1 1 98.89 6111 + 6112 25 16.814000 22.292000 24.580000 393 I A 2 "ILE " " N " 7 0 0 1 77.47 6112 + 6113 3 18.114000 22.629000 25.170000 393 I A 2 "ILE " " CA " 6 0 0 1 79.61 6113 + 6114 2 18.088000 22.903000 26.690000 393 I A 2 "ILE " " C " 6 0 0 1 84.26 6114 + 6115 15 19.152000 23.141000 27.259000 393 I A 2 "ILE " " O " 8 0 0 1 86.17 6115 + 6116 3 18.781000 23.833000 24.445000 393 I A 2 "ILE " " CB " 6 0 0 1 78.73 6116 + 6117 3 18.001000 25.166000 24.553000 393 I A 2 "ILE " " CG1" 6 0 0 1 71.67 6117 + 6118 3 19.080000 23.476000 22.981000 393 I A 2 "ILE " " CG2" 6 0 0 1 78.71 6118 + 6119 3 18.784000 26.393000 24.063000 393 I A 2 "ILE " " CD1" 6 0 0 1 73.85 6119 + 6120 43 16.348000 23.035000 24.078000 393 I A 2 "ILE " " H " 1 0 0 1 77.47 6120 + 6121 41 18.770000 21.770000 25.039000 393 I A 2 "ILE " " HA " 1 0 0 1 79.61 6121 + 6122 41 19.754000 23.997000 24.913000 393 I A 2 "ILE " " HB " 1 0 0 1 78.73 6122 + 6123 41 17.686000 25.355000 25.579000 393 I A 2 "ILE " "HG13" 1 0 0 1 71.67 6123 + 6124 41 17.088000 25.089000 23.967000 393 I A 2 "ILE " "HG12" 1 0 0 1 71.67 6124 + 6125 41 19.709000 24.233000 22.516000 393 I A 2 "ILE " "HG21" 1 0 0 1 78.71 6125 + 6126 41 19.606000 22.524000 22.910000 393 I A 2 "ILE " "HG22" 1 0 0 1 78.71 6126 + 6127 41 18.167000 23.387000 22.394000 393 I A 2 "ILE " "HG23" 1 0 0 1 78.71 6127 + 6128 41 18.336000 27.313000 24.438000 393 I A 2 "ILE " "HD11" 1 0 0 1 73.85 6128 + 6129 41 19.818000 26.366000 24.403000 393 I A 2 "ILE " "HD12" 1 0 0 1 73.85 6129 + 6130 41 18.786000 26.451000 22.974000 393 I A 2 "ILE " "HD13" 1 0 0 1 73.85 6130 + 6131 25 16.906000 22.846000 27.331000 394 L A 2 "LEU " " N " 7 0 0 1 88.99 6131 + 6132 3 16.739000 23.056000 28.776000 394 L A 2 "LEU " " CA " 6 0 0 1 93.12 6132 + 6133 2 17.351000 21.962000 29.669000 394 L A 2 "LEU " " C " 6 0 0 1 94.39 6133 + 6134 15 17.488000 22.210000 30.866000 394 L A 2 "LEU " " O " 8 0 0 1 97.38 6134 + 6135 3 15.243000 23.197000 29.123000 394 L A 2 "LEU " " CB " 6 0 0 1 96.34 6135 + 6136 3 14.575000 24.476000 28.597000 394 L A 2 "LEU " " CG " 6 0 0 1 97.63 6136 + 6137 3 13.071000 24.415000 28.876000 394 L A 2 "LEU " " CD1" 6 0 0 1 103.93 6137 + 6138 3 15.204000 25.771000 29.151000 394 L A 2 "LEU " " CD2" 6 0 0 1 95.8 6138 + 6139 43 16.066000 22.649000 26.806000 394 L A 2 "LEU " " H " 1 0 0 1 88.99 6139 + 6140 41 17.256000 23.981000 29.032000 394 L A 2 "LEU " " HA " 1 0 0 1 93.12 6140 + 6141 41 15.109000 23.184000 30.206000 394 L A 2 "LEU " " HB3" 1 0 0 1 96.34 6141 + 6142 41 14.710000 22.320000 28.751000 394 L A 2 "LEU " " HB2" 1 0 0 1 96.34 6142 + 6143 41 14.691000 24.480000 27.520000 394 L A 2 "LEU " " HG " 1 0 0 1 97.63 6143 + 6144 41 12.541000 25.222000 28.370000 394 L A 2 "LEU " "HD11" 1 0 0 1 103.93 6144 + 6145 41 12.639000 23.473000 28.537000 394 L A 2 "LEU " "HD12" 1 0 0 1 103.93 6145 + 6146 41 12.883000 24.481000 29.947000 394 L A 2 "LEU " "HD13" 1 0 0 1 103.93 6146 + 6147 41 14.449000 26.459000 29.527000 394 L A 2 "LEU " "HD21" 1 0 0 1 95.8 6147 + 6148 41 15.894000 25.578000 29.973000 394 L A 2 "LEU " "HD22" 1 0 0 1 95.8 6148 + 6149 41 15.759000 26.295000 28.372000 394 L A 2 "LEU " "HD23" 1 0 0 1 95.8 6149 + 6150 25 17.692000 20.792000 29.102000 395 E A 2 "GLU " " N " 7 0 0 1 102.35 6150 + 6151 3 18.324000 19.696000 29.830000 395 E A 2 "GLU " " CA " 6 0 0 1 108.81 6151 + 6152 2 19.705000 19.415000 29.237000 395 E A 2 "GLU " " C " 6 0 0 1 106.11 6152 + 6153 15 19.826000 19.229000 28.026000 395 E A 2 "GLU " " O " 8 0 0 1 110.05 6153 + 6154 3 17.420000 18.454000 29.785000 395 E A 2 "GLU " " CB " 6 0 0 1 113.51 6154 + 6155 3 17.946000 17.299000 30.660000 395 E A 2 "GLU " " CG " 6 0 0 1 130.45 6155 + 6156 2 16.958000 16.141000 30.773000 395 E A 2 "GLU " " CD " 6 0 0 1 142.09 6156 + 6157 15 16.233000 15.893000 29.783000 395 E A 2 "GLU " " OE1" 8 0 0 1 145.13 6157 + 6158 18 16.940000 15.528000 31.862000 395 E A 2 "GLU " " OE2" 8 -1 0 1 152.2 6158 + 6159 43 17.578000 20.661000 28.107000 395 E A 2 "GLU " " H " 1 0 0 1 102.35 6159 + 6160 41 18.452000 19.965000 30.881000 395 E A 2 "GLU " " HA " 1 0 0 1 108.81 6160 + 6161 41 17.320000 18.114000 28.753000 395 E A 2 "GLU " " HB3" 1 0 0 1 113.51 6161 + 6162 41 16.416000 18.722000 30.110000 395 E A 2 "GLU " " HB2" 1 0 0 1 113.51 6162 + 6163 41 18.160000 17.669000 31.664000 395 E A 2 "GLU " " HG3" 1 0 0 1 130.45 6163 + 6164 41 18.882000 16.905000 30.266000 395 E A 2 "GLU " " HG2" 1 0 0 1 130.45 6164 + 6165 25 20.705000 19.370000 30.127000 396 G A 2 "GLY " " N " 7 0 0 1 100.62 6165 + 6166 3 22.098000 19.106000 29.802000 396 G A 2 "GLY " " CA " 6 0 0 1 94.44 6166 + 6167 2 22.927000 20.329000 30.203000 396 G A 2 "GLY " " C " 6 0 0 1 97.4 6167 + 6168 15 23.657000 20.214000 31.188000 396 G A 2 "GLY " " O " 8 0 0 1 100.36 6168 + 6169 43 20.500000 19.540000 31.101000 396 G A 2 "GLY " " H " 1 0 0 1 100.62 6169 + 6170 41 22.250000 18.878000 28.749000 396 G A 2 "GLY " " HA3" 1 0 0 1 94.44 6170 + 6171 41 22.430000 18.230000 30.360000 396 G A 2 "GLY " " HA2" 1 0 0 1 94.44 6171 + 6172 25 22.808000 21.493000 29.512000 397 P A 2 "PRO " " N " 7 0 0 1 92.14 6172 + 6173 3 23.520000 22.740000 29.858000 397 P A 2 "PRO " " CA " 6 0 0 1 93.6 6173 + 6174 2 23.346000 23.170000 31.316000 397 P A 2 "PRO " " C " 6 0 0 1 97.21 6174 + 6175 15 22.267000 22.989000 31.882000 397 P A 2 "PRO " " O " 8 0 0 1 95.28 6175 + 6176 3 22.939000 23.783000 28.894000 397 P A 2 "PRO " " CB " 6 0 0 1 88.48 6176 + 6177 3 22.537000 22.965000 27.688000 397 P A 2 "PRO " " CG " 6 0 0 1 92.9 6177 + 6178 3 21.994000 21.696000 28.316000 397 P A 2 "PRO " " CD " 6 0 0 1 88.91 6178 + 6179 41 24.577000 22.583000 29.635000 397 P A 2 "PRO " " HA " 1 0 0 1 93.6 6179 + 6180 41 23.654000 24.564000 28.639000 397 P A 2 "PRO " " HB3" 1 0 0 1 88.48 6180 + 6181 41 22.056000 24.264000 29.317000 397 P A 2 "PRO " " HB2" 1 0 0 1 88.48 6181 + 6182 41 23.434000 22.728000 27.118000 397 P A 2 "PRO " " HG3" 1 0 0 1 92.9 6182 + 6183 41 21.825000 23.461000 27.030000 397 P A 2 "PRO " " HG2" 1 0 0 1 92.9 6183 + 6184 41 20.961000 21.850000 28.627000 397 P A 2 "PRO " " HD2" 1 0 0 1 88.91 6184 + 6185 41 22.028000 20.866000 27.612000 397 P A 2 "PRO " " HD3" 1 0 0 1 88.91 6185 + 6186 25 24.442000 23.686000 31.889000 398 E A 2 "GLU " " N " 7 0 0 1 103.4 6186 + 6187 3 24.579000 24.090000 33.288000 398 E A 2 "GLU " " CA " 6 0 0 1 111.92 6187 + 6188 2 23.440000 25.062000 33.688000 398 E A 2 "GLU " " C " 6 0 0 1 112.15 6188 + 6189 15 23.139000 25.960000 32.904000 398 E A 2 "GLU " " O " 8 0 0 1 115.53 6189 + 6190 3 25.985000 24.719000 33.403000 398 E A 2 "GLU " " CB " 6 0 0 1 120.45 6190 + 6191 3 26.532000 24.767000 34.840000 398 E A 2 "GLU " " CG " 6 0 0 1 130.06 6191 + 6192 2 27.981000 25.260000 34.904000 398 E A 2 "GLU " " CD " 6 0 0 1 138.1 6192 + 6193 15 28.804000 24.748000 34.114000 398 E A 2 "GLU " " OE1" 8 0 0 1 134.56 6193 + 6194 18 28.244000 26.131000 35.762000 398 E A 2 "GLU " " OE2" 8 -1 0 1 146.88 6194 + 6195 43 25.276000 23.791000 31.329000 398 E A 2 "GLU " " H " 1 0 0 1 103.4 6195 + 6196 41 24.544000 23.167000 33.865000 398 E A 2 "GLU " " HA " 1 0 0 1 111.92 6196 + 6197 41 25.978000 25.728000 32.987000 398 E A 2 "GLU " " HB3" 1 0 0 1 120.45 6197 + 6198 41 26.681000 24.151000 32.782000 398 E A 2 "GLU " " HB2" 1 0 0 1 120.45 6198 + 6199 41 26.507000 23.769000 35.279000 398 E A 2 "GLU " " HG3" 1 0 0 1 130.06 6199 + 6200 41 25.901000 25.401000 35.463000 398 E A 2 "GLU " " HG2" 1 0 0 1 130.06 6200 + 6201 25 22.753000 24.830000 34.832000 399 P A 2 "PRO " " N " 7 0 0 1 107.09 6201 + 6202 3 21.527000 25.581000 35.184000 399 P A 2 "PRO " " CA " 6 0 0 1 104.64 6202 + 6203 2 21.727000 27.101000 35.333000 399 P A 2 "PRO " " C " 6 0 0 1 108.96 6203 + 6204 15 20.812000 27.860000 35.020000 399 P A 2 "PRO " " O " 8 0 0 1 110.12 6204 + 6205 3 21.056000 24.926000 36.493000 399 P A 2 "PRO " " CB " 6 0 0 1 105.1 6205 + 6206 3 22.317000 24.327000 37.097000 399 P A 2 "PRO " " CG " 6 0 0 1 110.25 6206 + 6207 3 23.095000 23.862000 35.872000 399 P A 2 "PRO " " CD " 6 0 0 1 106.44 6207 + 6208 41 20.774000 25.422000 34.409000 399 P A 2 "PRO " " HA " 1 0 0 1 104.64 6208 + 6209 41 20.349000 24.128000 36.259000 399 P A 2 "PRO " " HB3" 1 0 0 1 105.1 6209 + 6210 41 20.554000 25.613000 37.175000 399 P A 2 "PRO " " HB2" 1 0 0 1 105.1 6210 + 6211 41 22.120000 23.528000 37.812000 399 P A 2 "PRO " " HG3" 1 0 0 1 110.25 6211 + 6212 41 22.881000 25.107000 37.613000 399 P A 2 "PRO " " HG2" 1 0 0 1 110.25 6212 + 6213 41 24.162000 23.812000 36.086000 399 P A 2 "PRO " " HD2" 1 0 0 1 106.44 6213 + 6214 41 22.760000 22.873000 35.555000 399 P A 2 "PRO " " HD3" 1 0 0 1 106.44 6214 + 6215 25 22.944000 27.501000 35.735000 400 S A 2 "SER " " N " 7 0 0 1 109.44 6215 + 6216 3 23.449000 28.872000 35.776000 400 S A 2 "SER " " CA " 6 0 0 1 109.61 6216 + 6217 2 23.474000 29.582000 34.405000 400 S A 2 "SER " " C " 6 0 0 1 109.11 6217 + 6218 15 23.227000 30.786000 34.362000 400 S A 2 "SER " " O " 8 0 0 1 112.05 6218 + 6219 3 24.844000 28.829000 36.436000 400 S A 2 "SER " " CB " 6 0 0 1 110.12 6219 + 6220 16 25.769000 28.117000 35.633000 400 S A 2 "SER " " OG " 8 0 0 1 101.8 6220 + 6221 43 23.637000 26.796000 35.944000 400 S A 2 "SER " " H " 1 0 0 1 109.44 6221 + 6222 41 22.783000 29.440000 36.427000 400 S A 2 "SER " " HA " 1 0 0 1 109.61 6222 + 6223 41 24.791000 28.361000 37.420000 400 S A 2 "SER " " HB3" 1 0 0 1 110.12 6223 + 6224 41 25.223000 29.840000 36.588000 400 S A 2 "SER " " HB2" 1 0 0 1 110.12 6224 + 6225 42 26.593000 27.996000 36.115000 400 S A 2 "SER " " HG " 1 0 0 1 101.8 6225 + 6226 25 23.741000 28.829000 33.322000 401 Q A 2 "GLN " " N " 7 0 0 1 108.48 6226 + 6227 3 23.714000 29.297000 31.934000 401 Q A 2 "GLN " " CA " 6 0 0 1 111.49 6227 + 6228 2 22.275000 29.490000 31.418000 401 Q A 2 "GLN " " C " 6 0 0 1 108.32 6228 + 6229 15 22.037000 30.446000 30.682000 401 Q A 2 "GLN " " O " 8 0 0 1 101.23 6229 + 6230 3 24.523000 28.309000 31.056000 401 Q A 2 "GLN " " CB " 6 0 0 1 116.29 6230 + 6231 3 24.602000 28.631000 29.546000 401 Q A 2 "GLN " " CG " 6 0 0 1 118.19 6231 + 6232 2 25.322000 27.540000 28.740000 401 Q A 2 "GLN " " CD " 6 0 0 1 118.95 6232 + 6233 15 25.469000 26.405000 29.188000 401 Q A 2 "GLN " " OE1" 8 0 0 1 119.31 6233 + 6234 25 25.753000 27.874000 27.522000 401 Q A 2 "GLN " " NE2" 7 0 0 1 116.66 6234 + 6235 43 23.935000 27.844000 33.446000 401 Q A 2 "GLN " " H " 1 0 0 1 108.48 6235 + 6236 41 24.213000 30.267000 31.894000 401 Q A 2 "GLN " " HA " 1 0 0 1 111.49 6236 + 6237 41 24.093000 27.317000 31.157000 401 Q A 2 "GLN " " HB3" 1 0 0 1 116.29 6237 + 6238 41 25.538000 28.237000 31.451000 401 Q A 2 "GLN " " HB2" 1 0 0 1 116.29 6238 + 6239 41 25.107000 29.586000 29.399000 401 Q A 2 "GLN " " HG3" 1 0 0 1 118.19 6239 + 6240 41 23.604000 28.731000 29.118000 401 Q A 2 "GLN " " HG2" 1 0 0 1 118.19 6240 + 6241 43 26.233000 27.189000 26.955000 401 Q A 2 "GLN " "HE22" 1 0 0 1 116.66 6241 + 6242 43 25.621000 28.810000 27.168000 401 Q A 2 "GLN " "HE21" 1 0 0 1 116.66 6242 + 6243 25 21.353000 28.590000 31.809000 402 L A 2 "LEU " " N " 7 0 0 1 110.46 6243 + 6244 3 19.971000 28.561000 31.322000 402 L A 2 "LEU " " CA " 6 0 0 1 116.81 6244 + 6245 2 19.046000 29.575000 32.010000 402 L A 2 "LEU " " C " 6 0 0 1 122.56 6245 + 6246 15 18.239000 30.183000 31.315000 402 L A 2 "LEU " " O " 8 0 0 1 125.28 6246 + 6247 3 19.383000 27.142000 31.476000 402 L A 2 "LEU " " CB " 6 0 0 1 114.53 6247 + 6248 3 20.068000 26.059000 30.618000 402 L A 2 "LEU " " CG " 6 0 0 1 109.79 6248 + 6249 3 19.518000 24.676000 30.997000 402 L A 2 "LEU " " CD1" 6 0 0 1 98.43 6249 + 6250 3 19.934000 26.328000 29.103000 402 L A 2 "LEU " " CD2" 6 0 0 1 103.49 6250 + 6251 43 21.629000 27.835000 32.421000 402 L A 2 "LEU " " H " 1 0 0 1 110.46 6251 + 6252 41 19.982000 28.819000 30.262000 402 L A 2 "LEU " " HA " 1 0 0 1 116.81 6252 + 6253 41 18.320000 27.158000 31.228000 402 L A 2 "LEU " " HB3" 1 0 0 1 114.53 6253 + 6254 41 19.437000 26.850000 32.527000 402 L A 2 "LEU " " HB2" 1 0 0 1 114.53 6254 + 6255 41 21.133000 26.047000 30.855000 402 L A 2 "LEU " " HG " 1 0 0 1 109.79 6255 + 6256 41 19.700000 23.932000 30.221000 402 L A 2 "LEU " "HD11" 1 0 0 1 98.43 6256 + 6257 41 19.989000 24.311000 31.909000 402 L A 2 "LEU " "HD12" 1 0 0 1 98.43 6257 + 6258 41 18.444000 24.712000 31.181000 402 L A 2 "LEU " "HD13" 1 0 0 1 98.43 6258 + 6259 41 19.591000 25.453000 28.553000 402 L A 2 "LEU " "HD21" 1 0 0 1 103.49 6259 + 6260 41 19.226000 27.128000 28.886000 402 L A 2 "LEU " "HD22" 1 0 0 1 103.49 6260 + 6261 41 20.895000 26.618000 28.677000 402 L A 2 "LEU " "HD23" 1 0 0 1 103.49 6261 + 6262 25 19.159000 29.738000 33.341000 403 K A 2 "LYS " " N " 7 0 1 1 123.98 6262 + 6263 3 18.315000 30.624000 34.156000 403 K A 2 "LYS " " CA " 6 0 1 1 123.87 6263 + 6264 2 18.148000 32.091000 33.700000 403 K A 2 "LYS " " C " 6 0 1 1 124.88 6264 + 6265 15 17.004000 32.548000 33.722000 403 K A 2 "LYS " " O " 8 0 1 1 129.69 6265 + 6266 3 18.710000 30.534000 35.644000 403 K A 2 "LYS " " CB " 6 0 1 1 120.35 6266 + 6267 3 18.124000 29.285000 36.316000 403 K A 2 "LYS " " CG " 6 0 1 1 123.94 6267 + 6268 3 18.598000 29.071000 37.757000 403 K A 2 "LYS " " CD " 6 0 1 1 125.42 6268 + 6269 3 18.000000 27.793000 38.361000 403 K A 2 "LYS " " CE " 6 0 1 1 126.8 6269 + 6270 32 18.512000 27.547000 39.718000 403 K A 2 "LYS " " NZ " 7 1 1 1 121.67 6270 + 6271 43 19.848000 29.195000 33.847000 403 K A 2 "LYS " " H " 1 0 1 1 123.98 6271 + 6272 41 17.317000 30.188000 34.069000 403 K A 2 "LYS " " HA " 1 0 1 1 123.87 6272 + 6273 41 18.333000 31.400000 36.190000 403 K A 2 "LYS " " HB3" 1 0 1 1 120.35 6273 + 6274 41 19.796000 30.563000 35.746000 403 K A 2 "LYS " " HB2" 1 0 1 1 120.35 6274 + 6275 41 18.387000 28.412000 35.724000 403 K A 2 "LYS " " HG3" 1 0 1 1 123.94 6275 + 6276 41 17.035000 29.348000 36.303000 403 K A 2 "LYS " " HG2" 1 0 1 1 123.94 6276 + 6277 41 18.325000 29.934000 38.365000 403 K A 2 "LYS " " HD3" 1 0 1 1 125.42 6277 + 6278 41 19.688000 29.011000 37.772000 403 K A 2 "LYS " " HD2" 1 0 1 1 125.42 6278 + 6279 41 18.251000 26.932000 37.740000 403 K A 2 "LYS " " HE3" 1 0 1 1 126.8 6279 + 6280 41 16.912000 27.859000 38.396000 403 K A 2 "LYS " " HE2" 1 0 1 1 126.8 6280 + 6281 44 19.518000 27.457000 39.689000 403 K A 2 "LYS " " HZ1" 1 0 1 1 121.67 6281 + 6282 44 18.262000 28.320000 40.318000 403 K A 2 "LYS " " HZ2" 1 0 1 1 121.67 6282 + 6283 44 18.110000 26.696000 40.084000 403 K A 2 "LYS " " HZ3" 1 0 1 1 121.67 6283 + 6284 25 19.209000 32.792000 33.227000 404 P A 2 "PRO " " N " 7 0 1 1 122.58 6284 + 6285 3 19.032000 34.129000 32.627000 404 P A 2 "PRO " " CA " 6 0 1 1 120.63 6285 + 6286 2 18.204000 34.121000 31.329000 404 P A 2 "PRO " " C " 6 0 1 1 117.37 6286 + 6287 15 17.311000 34.956000 31.198000 404 P A 2 "PRO " " O " 8 0 1 1 119.72 6287 + 6288 3 20.466000 34.647000 32.415000 404 P A 2 "PRO " " CB " 6 0 1 1 118.64 6288 + 6289 3 21.330000 33.399000 32.373000 404 P A 2 "PRO " " CG " 6 0 1 1 121.25 6289 + 6290 3 20.633000 32.470000 33.355000 404 P A 2 "PRO " " CD " 6 0 1 1 122.29 6290 + 6291 41 18.525000 34.781000 33.341000 404 P A 2 "PRO " " HA " 1 0 1 1 120.63 6291 + 6292 41 20.754000 35.259000 33.271000 404 P A 2 "PRO " " HB3" 1 0 1 1 118.64 6292 + 6293 41 20.586000 35.264000 31.523000 404 P A 2 "PRO " " HB2" 1 0 1 1 118.64 6293 + 6294 41 22.376000 33.583000 32.622000 404 P A 2 "PRO " " HG3" 1 0 1 1 121.25 6294 + 6295 41 21.295000 32.967000 31.372000 404 P A 2 "PRO " " HG2" 1 0 1 1 121.25 6295 + 6296 41 20.907000 31.444000 33.139000 404 P A 2 "PRO " " HD2" 1 0 1 1 122.29 6296 + 6297 41 20.945000 32.688000 34.377000 404 P A 2 "PRO " " HD3" 1 0 1 1 122.29 6297 + 6298 25 18.484000 33.155000 30.435000 405 L A 2 "LEU " " N " 7 0 1 1 116.69 6298 + 6299 3 17.803000 32.942000 29.152000 405 L A 2 "LEU " " CA " 6 0 1 1 117.16 6299 + 6300 2 16.319000 32.568000 29.304000 405 L A 2 "LEU " " C " 6 0 1 1 112.85 6300 + 6301 15 15.513000 32.990000 28.479000 405 L A 2 "LEU " " O " 8 0 1 1 109.56 6301 + 6302 3 18.536000 31.852000 28.341000 405 L A 2 "LEU " " CB " 6 0 1 1 120.25 6302 + 6303 3 20.027000 32.145000 28.076000 405 L A 2 "LEU " " CG " 6 0 1 1 122.32 6303 + 6304 3 20.730000 30.892000 27.525000 405 L A 2 "LEU " " CD1" 6 0 1 1 125.84 6304 + 6305 3 20.214000 33.378000 27.166000 405 L A 2 "LEU " " CD2" 6 0 1 1 117.32 6305 + 6306 43 19.219000 32.496000 30.648000 405 L A 2 "LEU " " H " 1 0 1 1 116.69 6306 + 6307 41 17.855000 33.875000 28.593000 405 L A 2 "LEU " " HA " 1 0 1 1 117.16 6307 + 6308 41 18.027000 31.697000 27.388000 405 L A 2 "LEU " " HB3" 1 0 1 1 120.25 6308 + 6309 41 18.459000 30.900000 28.867000 405 L A 2 "LEU " " HB2" 1 0 1 1 120.25 6309 + 6310 41 20.523000 32.366000 29.021000 405 L A 2 "LEU " " HG " 1 0 1 1 122.32 6310 + 6311 41 21.607000 31.135000 26.926000 405 L A 2 "LEU " "HD11" 1 0 1 1 125.84 6311 + 6312 41 21.075000 30.251000 28.334000 405 L A 2 "LEU " "HD12" 1 0 1 1 125.84 6312 + 6313 41 20.058000 30.288000 26.914000 405 L A 2 "LEU " "HD13" 1 0 1 1 125.84 6313 + 6314 41 21.025000 33.248000 26.452000 405 L A 2 "LEU " "HD21" 1 0 1 1 117.32 6314 + 6315 41 19.313000 33.610000 26.597000 405 L A 2 "LEU " "HD22" 1 0 1 1 117.32 6315 + 6316 41 20.457000 34.258000 27.762000 405 L A 2 "LEU " "HD23" 1 0 1 1 117.32 6316 + 6317 25 15.991000 31.811000 30.364000 406 V A 2 "VAL " " N " 7 0 1 1 109.19 6317 + 6318 3 14.631000 31.469000 30.772000 406 V A 2 "VAL " " CA " 6 0 1 1 110.75 6318 + 6319 2 13.828000 32.716000 31.171000 406 V A 2 "VAL " " C " 6 0 1 1 117.91 6319 + 6320 15 12.774000 32.948000 30.586000 406 V A 2 "VAL " " O " 8 0 1 1 119.68 6320 + 6321 3 14.633000 30.423000 31.929000 406 V A 2 "VAL " " CB " 6 0 1 1 107.31 6321 + 6322 3 13.332000 30.328000 32.753000 406 V A 2 "VAL " " CG1" 6 0 1 1 102.13 6322 + 6323 3 15.000000 29.026000 31.399000 406 V A 2 "VAL " " CG2" 6 0 1 1 105.56 6323 + 6324 43 16.729000 31.476000 30.969000 406 V A 2 "VAL " " H " 1 0 1 1 109.19 6324 + 6325 41 14.119000 31.034000 29.914000 406 V A 2 "VAL " " HA " 1 0 1 1 110.75 6325 + 6326 41 15.420000 30.705000 32.628000 406 V A 2 "VAL " " HB " 1 0 1 1 107.31 6326 + 6327 41 13.408000 29.533000 33.493000 406 V A 2 "VAL " "HG11" 1 0 1 1 102.13 6327 + 6328 41 13.123000 31.238000 33.316000 406 V A 2 "VAL " "HG12" 1 0 1 1 102.13 6328 + 6329 41 12.476000 30.123000 32.112000 406 V A 2 "VAL " "HG13" 1 0 1 1 102.13 6329 + 6330 41 15.092000 28.304000 32.210000 406 V A 2 "VAL " "HG21" 1 0 1 1 105.56 6330 + 6331 41 14.236000 28.656000 30.714000 406 V A 2 "VAL " "HG22" 1 0 1 1 105.56 6331 + 6332 41 15.945000 29.030000 30.858000 406 V A 2 "VAL " "HG23" 1 0 1 1 105.56 6332 + 6333 25 14.348000 33.492000 32.136000 407 I A 2 "ILE " " N " 7 0 0 1 121.69 6333 + 6334 3 13.685000 34.671000 32.694000 407 I A 2 "ILE " " CA " 6 0 0 1 122.34 6334 + 6335 2 13.483000 35.812000 31.673000 407 I A 2 "ILE " " C " 6 0 0 1 122.03 6335 + 6336 15 12.413000 36.422000 31.680000 407 I A 2 "ILE " " O " 8 0 0 1 124.87 6336 + 6337 3 14.433000 35.182000 33.964000 407 I A 2 "ILE " " CB " 6 0 0 1 120.45 6337 + 6338 3 14.344000 34.156000 35.124000 407 I A 2 "ILE " " CG1" 6 0 0 1 116.96 6338 + 6339 3 14.039000 36.593000 34.460000 407 I A 2 "ILE " " CG2" 6 0 0 1 123.85 6339 + 6340 3 12.926000 33.855000 35.639000 407 I A 2 "ILE " " CD1" 6 0 0 1 109.81 6340 + 6341 43 15.233000 33.241000 32.554000 407 I A 2 "ILE " " H " 1 0 0 1 121.69 6341 + 6342 41 12.683000 34.356000 32.991000 407 I A 2 "ILE " " HA " 1 0 0 1 122.34 6342 + 6343 41 15.492000 35.242000 33.704000 407 I A 2 "ILE " " HB " 1 0 0 1 120.45 6343 + 6344 41 14.966000 34.490000 35.955000 407 I A 2 "ILE " "HG13" 1 0 0 1 116.96 6344 + 6345 41 14.781000 33.211000 34.805000 407 I A 2 "ILE " "HG12" 1 0 0 1 116.96 6345 + 6346 41 14.538000 36.830000 35.400000 407 I A 2 "ILE " "HG21" 1 0 0 1 123.85 6346 + 6347 41 14.330000 37.370000 33.752000 407 I A 2 "ILE " "HG22" 1 0 0 1 123.85 6347 + 6348 41 12.966000 36.680000 34.624000 407 I A 2 "ILE " "HG23" 1 0 0 1 123.85 6348 + 6349 41 12.959000 33.497000 36.668000 407 I A 2 "ILE " "HD11" 1 0 0 1 109.81 6349 + 6350 41 12.281000 34.732000 35.621000 407 I A 2 "ILE " "HD12" 1 0 0 1 109.81 6350 + 6351 41 12.449000 33.080000 35.040000 407 I A 2 "ILE " "HD13" 1 0 0 1 109.81 6351 + 6352 25 14.469000 36.038000 30.783000 408 Q A 2 "GLN " " N " 7 0 0 1 121.17 6352 + 6353 3 14.385000 37.039000 29.712000 408 Q A 2 "GLN " " CA " 6 0 0 1 124.17 6353 + 6354 2 13.506000 36.606000 28.515000 408 Q A 2 "GLN " " C " 6 0 0 1 125.33 6354 + 6355 15 13.252000 37.448000 27.654000 408 Q A 2 "GLN " " O " 8 0 0 1 126.88 6355 + 6356 3 15.808000 37.478000 29.280000 408 Q A 2 "GLN " " CB " 6 0 0 1 124.68 6356 + 6357 3 16.643000 36.437000 28.493000 408 Q A 2 "GLN " " CG " 6 0 0 1 130.02 6357 + 6358 2 17.040000 36.854000 27.072000 408 Q A 2 "GLN " " CD " 6 0 0 1 130.96 6358 + 6359 15 18.202000 36.728000 26.688000 408 Q A 2 "GLN " " OE1" 8 0 0 1 126.83 6359 + 6360 25 16.082000 37.334000 26.277000 408 Q A 2 "GLN " " NE2" 7 0 0 1 132.69 6360 + 6361 43 15.323000 35.498000 30.831000 408 Q A 2 "GLN " " H " 1 0 0 1 121.17 6361 + 6362 41 13.905000 37.924000 30.133000 408 Q A 2 "GLN " " HA " 1 0 0 1 124.17 6362 + 6363 41 16.365000 37.759000 30.175000 408 Q A 2 "GLN " " HB3" 1 0 0 1 124.68 6363 + 6364 41 15.730000 38.409000 28.716000 408 Q A 2 "GLN " " HB2" 1 0 0 1 124.68 6364 + 6365 41 16.124000 35.484000 28.440000 408 Q A 2 "GLN " " HG3" 1 0 0 1 130.02 6365 + 6366 41 17.569000 36.251000 29.034000 408 Q A 2 "GLN " " HG2" 1 0 0 1 130.02 6366 + 6367 43 16.297000 37.626000 25.336000 408 Q A 2 "GLN " "HE22" 1 0 0 1 132.69 6367 + 6368 43 15.133000 37.419000 26.618000 408 Q A 2 "GLN " "HE21" 1 0 0 1 132.69 6368 + 6369 25 13.064000 35.335000 28.472000 409 A A 2 "ALA " " N " 7 0 0 1 123.9 6369 + 6370 3 12.196000 34.781000 27.427000 409 A A 2 "ALA " " CA " 6 0 0 1 120.93 6370 + 6371 2 10.789000 34.421000 27.936000 409 A A 2 "ALA " " C " 6 0 0 1 119.3 6371 + 6372 15 9.897000 34.252000 27.106000 409 A A 2 "ALA " " O " 8 0 0 1 122.52 6372 + 6373 3 12.868000 33.537000 26.828000 409 A A 2 "ALA " " CB " 6 0 0 1 124.16 6373 + 6374 43 13.332000 34.695000 29.207000 409 A A 2 "ALA " " H " 1 0 0 1 123.9 6374 + 6375 41 12.064000 35.506000 26.622000 409 A A 2 "ALA " " HA " 1 0 0 1 120.93 6375 + 6376 41 12.277000 33.120000 26.011000 409 A A 2 "ALA " " HB1" 1 0 0 1 124.16 6376 + 6377 41 13.851000 33.779000 26.425000 409 A A 2 "ALA " " HB2" 1 0 0 1 124.16 6377 + 6378 41 12.995000 32.752000 27.575000 409 A A 2 "ALA " " HB3" 1 0 0 1 124.16 6378 + 6379 25 10.601000 34.332000 29.267000 410 M A 2 "MET " " N " 7 0 1 1 116.44 6379 + 6380 3 9.346000 33.960000 29.929000 410 M A 2 "MET " " CA " 6 0 1 1 114.99 6380 + 6381 2 8.079000 34.775000 29.573000 410 M A 2 "MET " " C " 6 0 1 1 117.65 6381 + 6382 15 7.024000 34.143000 29.505000 410 M A 2 "MET " " O " 8 0 1 1 110.34 6382 + 6383 3 9.531000 33.888000 31.468000 410 M A 2 "MET " " CB " 6 0 1 1 119.2 6383 + 6384 3 9.722000 32.466000 32.030000 410 M A 2 "MET " " CG " 6 0 1 1 118.35 6384 + 6385 49 8.440000 31.241000 31.624000 410 M A 2 "MET " " SD " 16 0 1 1 118.24 6385 + 6386 3 6.966000 32.011000 32.347000 410 M A 2 "MET " " CE " 6 0 1 1 119.45 6386 + 6387 43 11.390000 34.479000 29.880000 410 M A 2 "MET " " H " 1 0 1 1 116.44 6387 + 6388 41 9.145000 32.954000 29.562000 410 M A 2 "MET " " HA " 1 0 1 1 114.99 6388 + 6389 41 8.685000 34.340000 31.986000 410 M A 2 "MET " " HB3" 1 0 1 1 119.2 6389 + 6390 41 10.385000 34.498000 31.764000 410 M A 2 "MET " " HB2" 1 0 1 1 119.2 6390 + 6391 41 9.806000 32.518000 33.116000 410 M A 2 "MET " " HG3" 1 0 1 1 118.35 6391 + 6392 41 10.667000 32.058000 31.677000 410 M A 2 "MET " " HG2" 1 0 1 1 118.35 6392 + 6393 41 6.110000 31.346000 32.237000 410 M A 2 "MET " " HE1" 1 0 1 1 119.45 6393 + 6394 41 7.121000 32.204000 33.408000 410 M A 2 "MET " " HE2" 1 0 1 1 119.45 6394 + 6395 41 6.730000 32.952000 31.853000 410 M A 2 "MET " " HE3" 1 0 1 1 119.45 6395 + 6396 25 8.168000 36.106000 29.311000 411 P A 2 "PRO " " N " 7 0 1 1 122.02 6396 + 6397 3 6.999000 36.906000 28.892000 411 P A 2 "PRO " " CA " 6 0 1 1 122.58 6397 + 6398 2 6.315000 36.403000 27.611000 411 P A 2 "PRO " " C " 6 0 1 1 124.07 6398 + 6399 15 5.152000 36.015000 27.661000 411 P A 2 "PRO " " O " 8 0 1 1 125.83 6399 + 6400 3 7.550000 38.338000 28.752000 411 P A 2 "PRO " " CB " 6 0 1 1 119.65 6400 + 6401 3 8.726000 38.377000 29.709000 411 P A 2 "PRO " " CG " 6 0 1 1 119.08 6401 + 6402 3 9.315000 36.982000 29.572000 411 P A 2 "PRO " " CD " 6 0 1 1 121.71 6402 + 6403 41 6.279000 36.884000 29.712000 411 P A 2 "PRO " " HA " 1 0 1 1 122.58 6403 + 6404 41 6.803000 39.097000 28.987000 411 P A 2 "PRO " " HB3" 1 0 1 1 119.65 6404 + 6405 41 7.908000 38.536000 27.740000 411 P A 2 "PRO " " HB2" 1 0 1 1 119.65 6405 + 6406 41 8.361000 38.518000 30.727000 411 P A 2 "PRO " " HG3" 1 0 1 1 119.08 6406 + 6407 41 9.440000 39.173000 29.492000 411 P A 2 "PRO " " HG2" 1 0 1 1 119.08 6407 + 6408 41 9.989000 36.962000 28.716000 411 P A 2 "PRO " " HD2" 1 0 1 1 121.71 6408 + 6409 41 9.876000 36.704000 30.465000 411 P A 2 "PRO " " HD3" 1 0 1 1 121.71 6409 + 6410 25 7.063000 36.361000 26.502000 412 T A 2 "THR " " N " 7 0 1 1 120.72 6410 + 6411 3 6.573000 35.917000 25.199000 412 T A 2 "THR " " CA " 6 0 1 1 114.18 6411 + 6412 2 6.253000 34.406000 25.152000 412 T A 2 "THR " " C " 6 0 1 1 107.96 6412 + 6413 15 5.412000 34.010000 24.352000 412 T A 2 "THR " " O " 8 0 1 1 103.07 6413 + 6414 3 7.610000 36.249000 24.098000 412 T A 2 "THR " " CB " 6 0 1 1 113.23 6414 + 6415 16 8.813000 35.514000 24.246000 412 T A 2 "THR " " OG1" 8 0 1 1 108.21 6415 + 6416 3 7.960000 37.745000 24.058000 412 T A 2 "THR " " CG2" 6 0 1 1 111.3 6416 + 6417 43 8.028000 36.659000 26.533000 412 T A 2 "THR " " H " 1 0 1 1 120.72 6417 + 6418 41 5.651000 36.462000 24.982000 412 T A 2 "THR " " HA " 1 0 1 1 114.18 6418 + 6419 41 7.193000 35.977000 23.126000 412 T A 2 "THR " " HB " 1 0 1 1 113.23 6419 + 6420 42 8.615000 34.577000 24.170000 412 T A 2 "THR " " HG1" 1 0 1 1 108.21 6420 + 6421 41 8.745000 37.935000 23.333000 412 T A 2 "THR " "HG21" 1 0 1 1 111.3 6421 + 6422 41 7.091000 38.347000 23.792000 412 T A 2 "THR " "HG22" 1 0 1 1 111.3 6422 + 6423 41 8.334000 38.106000 25.016000 412 T A 2 "THR " "HG23" 1 0 1 1 111.3 6423 + 6424 25 6.886000 33.606000 26.027000 413 L A 2 "LEU " " N " 7 0 1 1 101.36 6424 + 6425 3 6.672000 32.165000 26.155000 413 L A 2 "LEU " " CA " 6 0 1 1 108.28 6425 + 6426 2 5.311000 31.827000 26.782000 413 L A 2 "LEU " " C " 6 0 1 1 111.24 6426 + 6427 15 4.608000 30.973000 26.242000 413 L A 2 "LEU " " O " 8 0 1 1 110.81 6427 + 6428 3 7.846000 31.579000 26.959000 413 L A 2 "LEU " " CB " 6 0 1 1 111.58 6428 + 6429 3 8.073000 30.057000 26.853000 413 L A 2 "LEU " " CG " 6 0 1 1 112.36 6429 + 6430 3 9.453000 29.733000 27.441000 413 L A 2 "LEU " " CD1" 6 0 1 1 110.43 6430 + 6431 3 6.985000 29.185000 27.515000 413 L A 2 "LEU " " CD2" 6 0 1 1 109.98 6431 + 6432 43 7.562000 34.010000 26.660000 413 L A 2 "LEU " " H " 1 0 1 1 101.36 6432 + 6433 41 6.700000 31.738000 25.150000 413 L A 2 "LEU " " HA " 1 0 1 1 108.28 6433 + 6434 41 7.779000 31.874000 28.006000 413 L A 2 "LEU " " HB3" 1 0 1 1 111.58 6434 + 6435 41 8.747000 32.055000 26.573000 413 L A 2 "LEU " " HB2" 1 0 1 1 111.58 6435 + 6436 41 8.109000 29.802000 25.793000 413 L A 2 "LEU " " HG " 1 0 1 1 112.36 6436 + 6437 41 9.933000 28.913000 26.908000 413 L A 2 "LEU " "HD11" 1 0 1 1 110.43 6437 + 6438 41 10.143000 30.577000 27.407000 413 L A 2 "LEU " "HD12" 1 0 1 1 110.43 6438 + 6439 41 9.352000 29.466000 28.489000 413 L A 2 "LEU " "HD13" 1 0 1 1 110.43 6439 + 6440 41 7.410000 28.301000 27.993000 413 L A 2 "LEU " "HD21" 1 0 1 1 109.98 6440 + 6441 41 6.432000 29.727000 28.282000 413 L A 2 "LEU " "HD22" 1 0 1 1 109.98 6441 + 6442 41 6.270000 28.824000 26.775000 413 L A 2 "LEU " "HD23" 1 0 1 1 109.98 6442 + 6443 25 4.951000 32.493000 27.897000 414 I A 2 "ILE " " N " 7 0 1 1 116.27 6443 + 6444 3 3.666000 32.274000 28.569000 414 I A 2 "ILE " " CA " 6 0 1 1 116.05 6444 + 6445 2 2.476000 32.829000 27.751000 414 I A 2 "ILE " " C " 6 0 1 1 116.13 6445 + 6446 15 1.375000 32.295000 27.863000 414 I A 2 "ILE " " O " 8 0 1 1 111.46 6446 + 6447 3 3.655000 32.831000 30.030000 414 I A 2 "ILE " " CB " 6 0 1 1 115 6447 + 6448 3 2.582000 32.167000 30.925000 414 I A 2 "ILE " " CG1" 6 0 1 1 108.67 6448 + 6449 3 3.528000 34.364000 30.132000 414 I A 2 "ILE " " CG2" 6 0 1 1 114.02 6449 + 6450 3 2.924000 30.732000 31.350000 414 I A 2 "ILE " " CD1" 6 0 1 1 101.14 6450 + 6451 43 5.569000 33.183000 28.303000 414 I A 2 "ILE " " H " 1 0 1 1 116.27 6451 + 6452 41 3.524000 31.196000 28.622000 414 I A 2 "ILE " " HA " 1 0 1 1 116.05 6452 + 6453 41 4.622000 32.582000 30.469000 414 I A 2 "ILE " " HB " 1 0 1 1 115 6453 + 6454 41 1.599000 32.198000 30.455000 414 I A 2 "ILE " "HG13" 1 0 1 1 108.67 6454 + 6455 41 2.476000 32.748000 31.841000 414 I A 2 "ILE " "HG12" 1 0 1 1 108.67 6455 + 6456 41 3.588000 34.691000 31.170000 414 I A 2 "ILE " "HG21" 1 0 1 1 114.02 6456 + 6457 41 4.346000 34.850000 29.614000 414 I A 2 "ILE " "HG22" 1 0 1 1 114.02 6457 + 6458 41 2.588000 34.742000 29.729000 414 I A 2 "ILE " "HG23" 1 0 1 1 114.02 6458 + 6459 41 2.020000 30.177000 31.601000 414 I A 2 "ILE " "HD11" 1 0 1 1 101.14 6459 + 6460 41 3.447000 30.178000 30.573000 414 I A 2 "ILE " "HD12" 1 0 1 1 101.14 6460 + 6461 41 3.563000 30.732000 32.233000 414 I A 2 "ILE " "HD13" 1 0 1 1 101.14 6461 + 6462 25 2.729000 33.833000 26.892000 415 E A 2 "GLU " " N " 7 0 1 1 117.12 6462 + 6463 3 1.777000 34.333000 25.897000 415 E A 2 "GLU " " CA " 6 0 1 1 118.09 6463 + 6464 2 1.522000 33.331000 24.754000 415 E A 2 "GLU " " C " 6 0 1 1 113.22 6464 + 6465 15 0.382000 33.234000 24.298000 415 E A 2 "GLU " " O " 8 0 1 1 105.2 6465 + 6466 3 2.267000 35.685000 25.349000 415 E A 2 "GLU " " CB " 6 0 1 1 125.06 6466 + 6467 3 2.202000 36.820000 26.387000 415 E A 2 "GLU " " CG " 6 0 1 1 135.49 6467 + 6468 2 2.782000 38.121000 25.834000 415 E A 2 "GLU " " CD " 6 0 1 1 146.75 6468 + 6469 15 2.163000 38.658000 24.890000 415 E A 2 "GLU " " OE1" 8 0 1 1 151.77 6469 + 6470 18 3.834000 38.553000 26.353000 415 E A 2 "GLU " " OE2" 8 -1 1 1 153.78 6470 + 6471 43 3.652000 34.243000 26.867000 415 E A 2 "GLU " " H " 1 0 1 1 117.12 6471 + 6472 41 0.820000 34.498000 26.396000 415 E A 2 "GLU " " HA " 1 0 1 1 118.09 6472 + 6473 41 1.669000 35.965000 24.479000 415 E A 2 "GLU " " HB3" 1 0 1 1 125.06 6473 + 6474 41 3.290000 35.584000 24.985000 415 E A 2 "GLU " " HB2" 1 0 1 1 125.06 6474 + 6475 41 2.720000 36.548000 27.305000 415 E A 2 "GLU " " HG3" 1 0 1 1 135.49 6475 + 6476 41 1.164000 36.999000 26.669000 415 E A 2 "GLU " " HG2" 1 0 1 1 135.49 6476 + 6477 25 2.559000 32.569000 24.352000 416 L A 2 "LEU " " N " 7 0 1 1 110 6477 + 6478 3 2.469000 31.497000 23.352000 416 L A 2 "LEU " " CA " 6 0 1 1 107.83 6478 + 6479 2 1.647000 30.276000 23.813000 416 L A 2 "LEU " " C " 6 0 1 1 108.32 6479 + 6480 15 1.243000 29.484000 22.962000 416 L A 2 "LEU " " O " 8 0 1 1 109.35 6480 + 6481 3 3.882000 31.061000 22.899000 416 L A 2 "LEU " " CB " 6 0 1 1 102.33 6481 + 6482 3 4.576000 32.052000 21.942000 416 L A 2 "LEU " " CG " 6 0 1 1 100.9 6482 + 6483 3 6.101000 31.831000 21.906000 416 L A 2 "LEU " " CD1" 6 0 1 1 103.71 6483 + 6484 3 3.947000 32.034000 20.540000 416 L A 2 "LEU " " CD2" 6 0 1 1 97.14 6484 + 6485 43 3.467000 32.706000 24.773000 416 L A 2 "LEU " " H " 1 0 1 1 110 6485 + 6486 41 1.946000 31.919000 22.494000 416 L A 2 "LEU " " HA " 1 0 1 1 107.83 6486 + 6487 41 3.846000 30.090000 22.402000 416 L A 2 "LEU " " HB3" 1 0 1 1 102.33 6487 + 6488 41 4.499000 30.904000 23.781000 416 L A 2 "LEU " " HB2" 1 0 1 1 102.33 6488 + 6489 41 4.408000 33.054000 22.331000 416 L A 2 "LEU " " HG " 1 0 1 1 100.9 6489 + 6490 41 6.629000 32.762000 22.113000 416 L A 2 "LEU " "HD11" 1 0 1 1 103.71 6490 + 6491 41 6.433000 31.107000 22.650000 416 L A 2 "LEU " "HD12" 1 0 1 1 103.71 6491 + 6492 41 6.448000 31.476000 20.937000 416 L A 2 "LEU " "HD13" 1 0 1 1 103.71 6492 + 6493 41 4.640000 31.695000 19.773000 416 L A 2 "LEU " "HD21" 1 0 1 1 97.14 6493 + 6494 41 3.086000 31.371000 20.500000 416 L A 2 "LEU " "HD22" 1 0 1 1 97.14 6494 + 6495 41 3.601000 33.027000 20.253000 416 L A 2 "LEU " "HD23" 1 0 1 1 97.14 6495 + 6496 25 1.368000 30.150000 25.124000 417 M A 2 "MET " " N " 7 0 0 1 106.85 6496 + 6497 3 0.442000 29.150000 25.661000 417 M A 2 "MET " " CA " 6 0 0 1 106.8 6497 + 6498 2 -1.026000 29.373000 25.273000 417 M A 2 "MET " " C " 6 0 0 1 113.46 6498 + 6499 15 -1.795000 28.416000 25.352000 417 M A 2 "MET " " O " 8 0 0 1 109.76 6499 + 6500 3 0.533000 29.091000 27.189000 417 M A 2 "MET " " CB " 6 0 0 1 105.19 6500 + 6501 3 1.870000 28.559000 27.700000 417 M A 2 "MET " " CG " 6 0 0 1 105.9 6501 + 6502 49 1.775000 27.972000 29.404000 417 M A 2 "MET " " SD " 16 0 0 1 112.08 6502 + 6503 3 0.616000 26.589000 29.219000 417 M A 2 "MET " " CE " 6 0 0 1 97.76 6503 + 6504 43 1.737000 30.825000 25.780000 417 M A 2 "MET " " H " 1 0 0 1 106.85 6504 + 6505 41 0.724000 28.172000 25.265000 417 M A 2 "MET " " HA " 1 0 0 1 106.8 6505 + 6506 41 -0.270000 28.460000 27.567000 417 M A 2 "MET " " HB3" 1 0 0 1 105.19 6506 + 6507 41 0.338000 30.072000 27.615000 417 M A 2 "MET " " HB2" 1 0 0 1 105.19 6507 + 6508 41 2.640000 29.325000 27.626000 417 M A 2 "MET " " HG3" 1 0 0 1 105.9 6508 + 6509 41 2.204000 27.726000 27.082000 417 M A 2 "MET " " HG2" 1 0 0 1 105.9 6509 + 6510 41 0.785000 25.853000 30.005000 417 M A 2 "MET " " HE1" 1 0 0 1 97.76 6510 + 6511 41 -0.413000 26.940000 29.295000 417 M A 2 "MET " " HE2" 1 0 0 1 97.76 6511 + 6512 41 0.742000 26.106000 28.252000 417 M A 2 "MET " " HE3" 1 0 0 1 97.76 6512 + 6513 25 -1.387000 30.604000 24.874000 418 K A 2 "LYS " " N " 7 0 0 1 119.95 6513 + 6514 3 -2.717000 30.961000 24.387000 418 K A 2 "LYS " " CA " 6 0 0 1 123.47 6514 + 6515 2 -2.636000 31.541000 22.961000 418 K A 2 "LYS " " C " 6 0 0 1 125.51 6515 + 6516 15 -3.475000 32.354000 22.576000 418 K A 2 "LYS " " O " 8 0 0 1 126.76 6516 + 6517 3 -3.412000 31.881000 25.419000 418 K A 2 "LYS " " CB " 6 0 0 1 126.99 6517 + 6518 3 -4.949000 32.004000 25.292000 418 K A 2 "LYS " " CG " 6 0 0 1 132.02 6518 + 6519 3 -5.766000 30.691000 25.294000 418 K A 2 "LYS " " CD " 6 0 0 1 137.36 6519 + 6520 3 -5.746000 29.893000 26.612000 418 K A 2 "LYS " " CE " 6 0 0 1 133.33 6520 + 6521 32 -4.453000 29.237000 26.875000 418 K A 2 "LYS " " NZ " 7 1 0 1 135.66 6521 + 6522 43 -0.694000 31.341000 24.845000 418 K A 2 "LYS " " H " 1 0 0 1 119.95 6522 + 6523 41 -3.307000 30.056000 24.277000 418 K A 2 "LYS " " HA " 1 0 0 1 123.47 6523 + 6524 41 -2.961000 32.874000 25.383000 418 K A 2 "LYS " " HB3" 1 0 0 1 126.99 6524 + 6525 41 -3.193000 31.518000 26.423000 418 K A 2 "LYS " " HB2" 1 0 0 1 126.99 6525 + 6526 41 -5.197000 32.561000 24.390000 418 K A 2 "LYS " " HG3" 1 0 0 1 132.02 6526 + 6527 41 -5.308000 32.634000 26.107000 418 K A 2 "LYS " " HG2" 1 0 0 1 132.02 6527 + 6528 41 -5.474000 30.051000 24.463000 418 K A 2 "LYS " " HD3" 1 0 0 1 137.36 6528 + 6529 41 -6.803000 30.951000 25.080000 418 K A 2 "LYS " " HD2" 1 0 0 1 137.36 6529 + 6530 41 -6.508000 29.114000 26.575000 418 K A 2 "LYS " " HE3" 1 0 0 1 133.33 6530 + 6531 41 -5.999000 30.542000 27.452000 418 K A 2 "LYS " " HE2" 1 0 0 1 133.33 6531 + 6532 44 -4.230000 28.598000 26.125000 418 K A 2 "LYS " " HZ1" 1 0 0 1 135.66 6532 + 6533 44 -3.726000 29.935000 26.940000 418 K A 2 "LYS " " HZ2" 1 0 0 1 135.66 6533 + 6534 44 -4.503000 28.726000 27.745000 418 K A 2 "LYS " " HZ3" 1 0 0 1 135.66 6534 + 6535 25 -1.641000 31.077000 22.186000 419 D A 2 "ASP " " N " 7 0 0 1 127.82 6535 + 6536 3 -1.439000 31.370000 20.766000 419 D A 2 "ASP " " CA " 6 0 0 1 123.61 6536 + 6537 2 -2.644000 30.878000 19.921000 419 D A 2 "ASP " " C " 6 0 0 1 119.05 6537 + 6538 15 -3.224000 29.848000 20.271000 419 D A 2 "ASP " " O " 8 0 0 1 114.75 6538 + 6539 3 -0.124000 30.692000 20.321000 419 D A 2 "ASP " " CB " 6 0 0 1 123.9 6539 + 6540 2 0.343000 31.041000 18.913000 419 D A 2 "ASP " " CG " 6 0 0 1 121.63 6540 + 6541 15 -0.179000 30.415000 17.968000 419 D A 2 "ASP " " OD1" 8 0 0 1 119.08 6541 + 6542 18 1.222000 31.921000 18.795000 419 D A 2 "ASP " " OD2" 8 -1 0 1 120.87 6542 + 6543 43 -0.984000 30.421000 22.583000 419 D A 2 "ASP " " H " 1 0 0 1 127.82 6543 + 6544 41 -1.332000 32.453000 20.697000 419 D A 2 "ASP " " HA " 1 0 0 1 123.61 6544 + 6545 41 -0.183000 29.606000 20.410000 419 D A 2 "ASP " " HB3" 1 0 0 1 123.9 6545 + 6546 41 0.681000 30.975000 20.991000 419 D A 2 "ASP " " HB2" 1 0 0 1 123.9 6546 + 6547 25 -3.007000 31.591000 18.826000 420 P A 2 "PRO " " N " 7 0 0 1 117.01 6547 + 6548 3 -4.077000 31.146000 17.906000 420 P A 2 "PRO " " CA " 6 0 0 1 117.35 6548 + 6549 2 -3.921000 29.728000 17.314000 420 P A 2 "PRO " " C " 6 0 0 1 120.8 6549 + 6550 15 -4.930000 29.032000 17.193000 420 P A 2 "PRO " " O " 8 0 0 1 123.07 6550 + 6551 3 -4.106000 32.226000 16.807000 420 P A 2 "PRO " " CB " 6 0 0 1 114.09 6551 + 6552 3 -2.751000 32.909000 16.889000 420 P A 2 "PRO " " CG " 6 0 0 1 116.76 6552 + 6553 3 -2.460000 32.876000 18.381000 420 P A 2 "PRO " " CD " 6 0 0 1 117.28 6553 + 6554 41 -5.024000 31.169000 18.447000 420 P A 2 "PRO " " HA " 1 0 0 1 117.35 6554 + 6555 41 -4.891000 32.948000 17.037000 420 P A 2 "PRO " " HB3" 1 0 0 1 114.09 6555 + 6556 41 -4.311000 31.838000 15.808000 420 P A 2 "PRO " " HB2" 1 0 0 1 114.09 6556 + 6557 41 -2.746000 33.914000 16.469000 420 P A 2 "PRO " " HG3" 1 0 0 1 116.76 6557 + 6558 41 -2.005000 32.315000 16.358000 420 P A 2 "PRO " " HG2" 1 0 0 1 116.76 6558 + 6559 41 -1.399000 33.028000 18.562000 420 P A 2 "PRO " " HD2" 1 0 0 1 117.28 6559 + 6560 41 -2.998000 33.674000 18.894000 420 P A 2 "PRO " " HD3" 1 0 0 1 117.28 6560 + 6561 25 -2.681000 29.309000 17.000000 421 S A 2 "SER " " N " 7 0 0 1 122.72 6561 + 6562 3 -2.364000 27.953000 16.550000 421 S A 2 "SER " " CA " 6 0 0 1 121.72 6562 + 6563 2 -2.464000 26.962000 17.718000 421 S A 2 "SER " " C " 6 0 0 1 121.39 6563 + 6564 15 -1.817000 27.167000 18.744000 421 S A 2 "SER " " O " 8 0 0 1 125.88 6564 + 6565 3 -0.958000 27.925000 15.913000 421 S A 2 "SER " " CB " 6 0 0 1 118.77 6565 + 6566 16 -0.594000 26.626000 15.481000 421 S A 2 "SER " " OG " 8 0 0 1 113.99 6566 + 6567 43 -1.884000 29.908000 17.188000 421 S A 2 "SER " " H " 1 0 0 1 122.72 6567 + 6568 41 -3.087000 27.672000 15.781000 421 S A 2 "SER " " HA " 1 0 0 1 121.72 6568 + 6569 41 -0.203000 28.265000 16.618000 421 S A 2 "SER " " HB3" 1 0 0 1 118.77 6569 + 6570 41 -0.918000 28.601000 15.058000 421 S A 2 "SER " " HB2" 1 0 0 1 118.77 6570 + 6571 42 -1.040000 26.440000 14.651000 421 S A 2 "SER " " HG " 1 0 0 1 113.99 6571 + 6572 25 -3.243000 25.889000 17.508000 422 V A 2 "VAL " " N " 7 0 1 1 116.61 6572 + 6573 3 -3.437000 24.794000 18.460000 422 V A 2 "VAL " " CA " 6 0 1 1 112.41 6573 + 6574 2 -2.136000 24.001000 18.719000 422 V A 2 "VAL " " C " 6 0 1 1 114.53 6574 + 6575 15 -1.929000 23.552000 19.845000 422 V A 2 "VAL " " O " 8 0 1 1 113.26 6575 + 6576 3 -4.538000 23.809000 17.963000 422 V A 2 "VAL " " CB " 6 0 1 1 108.47 6576 + 6577 3 -4.826000 22.643000 18.934000 422 V A 2 "VAL " " CG1" 6 0 1 1 106.19 6577 + 6578 3 -5.856000 24.538000 17.633000 422 V A 2 "VAL " " CG2" 6 0 1 1 108.87 6578 + 6579 43 -3.734000 25.799000 16.631000 422 V A 2 "VAL " " H " 1 0 1 1 116.61 6579 + 6580 41 -3.752000 25.223000 19.412000 422 V A 2 "VAL " " HA " 1 0 1 1 112.41 6580 + 6581 41 -4.193000 23.359000 17.030000 422 V A 2 "VAL " " HB " 1 0 1 1 108.47 6581 + 6582 41 -5.668000 22.042000 18.589000 422 V A 2 "VAL " "HG11" 1 0 1 1 106.19 6582 + 6583 41 -3.979000 21.963000 19.026000 422 V A 2 "VAL " "HG12" 1 0 1 1 106.19 6583 + 6584 41 -5.068000 23.008000 19.932000 422 V A 2 "VAL " "HG13" 1 0 1 1 106.19 6584 + 6585 41 -6.626000 23.835000 17.315000 422 V A 2 "VAL " "HG21" 1 0 1 1 108.87 6585 + 6586 41 -6.241000 25.082000 18.493000 422 V A 2 "VAL " "HG22" 1 0 1 1 108.87 6586 + 6587 41 -5.730000 25.253000 16.820000 422 V A 2 "VAL " "HG23" 1 0 1 1 108.87 6587 + 6588 25 -1.270000 23.890000 17.696000 423 V A 2 "VAL " " N " 7 0 1 1 112.86 6588 + 6589 3 0.021000 23.207000 17.782000 423 V A 2 "VAL " " CA " 6 0 1 1 108.78 6589 + 6590 2 1.033000 23.996000 18.642000 423 V A 2 "VAL " " C " 6 0 1 1 105.75 6590 + 6591 15 1.700000 23.385000 19.477000 423 V A 2 "VAL " " O " 8 0 1 1 109 6591 + 6592 3 0.642000 22.944000 16.379000 423 V A 2 "VAL " " CB " 6 0 1 1 105.32 6592 + 6593 3 1.959000 22.142000 16.444000 423 V A 2 "VAL " " CG1" 6 0 1 1 108.68 6593 + 6594 3 -0.344000 22.214000 15.447000 423 V A 2 "VAL " " CG2" 6 0 1 1 104.52 6594 + 6595 43 -1.494000 24.307000 16.804000 423 V A 2 "VAL " " H " 1 0 1 1 112.86 6595 + 6596 41 -0.145000 22.242000 18.267000 423 V A 2 "VAL " " HA " 1 0 1 1 108.78 6596 + 6597 41 0.871000 23.903000 15.912000 423 V A 2 "VAL " " HB " 1 0 1 1 105.32 6597 + 6598 41 2.335000 21.898000 15.451000 423 V A 2 "VAL " "HG11" 1 0 1 1 108.68 6598 + 6599 41 2.749000 22.690000 16.950000 423 V A 2 "VAL " "HG12" 1 0 1 1 108.68 6599 + 6600 41 1.819000 21.201000 16.977000 423 V A 2 "VAL " "HG13" 1 0 1 1 108.68 6600 + 6601 41 0.113000 21.984000 14.484000 423 V A 2 "VAL " "HG21" 1 0 1 1 104.52 6601 + 6602 41 -0.676000 21.272000 15.884000 423 V A 2 "VAL " "HG22" 1 0 1 1 104.52 6602 + 6603 41 -1.229000 22.817000 15.242000 423 V A 2 "VAL " "HG23" 1 0 1 1 104.52 6603 + 6604 25 1.087000 25.332000 18.466000 424 V A 2 "VAL " " N " 7 0 1 1 98.71 6604 + 6605 3 1.950000 26.222000 19.251000 424 V A 2 "VAL " " CA " 6 0 1 1 96.71 6605 + 6606 2 1.546000 26.284000 20.741000 424 V A 2 "VAL " " C " 6 0 1 1 99.37 6606 + 6607 15 2.447000 26.375000 21.572000 424 V A 2 "VAL " " O " 8 0 1 1 102.7 6607 + 6608 3 2.006000 27.671000 18.683000 424 V A 2 "VAL " " CB " 6 0 1 1 94.85 6608 + 6609 3 2.849000 28.649000 19.531000 424 V A 2 "VAL " " CG1" 6 0 1 1 88.7 6609 + 6610 3 2.548000 27.711000 17.243000 424 V A 2 "VAL " " CG2" 6 0 1 1 93.98 6610 + 6611 43 0.501000 25.772000 17.771000 424 V A 2 "VAL " " H " 1 0 1 1 98.71 6611 + 6612 41 2.961000 25.814000 19.210000 424 V A 2 "VAL " " HA " 1 0 1 1 96.71 6612 + 6613 41 0.985000 28.051000 18.653000 424 V A 2 "VAL " " HB " 1 0 1 1 94.85 6613 + 6614 41 2.989000 29.593000 19.007000 424 V A 2 "VAL " "HG11" 1 0 1 1 88.7 6614 + 6615 41 2.378000 28.888000 20.484000 424 V A 2 "VAL " "HG12" 1 0 1 1 88.7 6615 + 6616 41 3.841000 28.244000 19.737000 424 V A 2 "VAL " "HG13" 1 0 1 1 88.7 6616 + 6617 41 2.408000 28.697000 16.799000 424 V A 2 "VAL " "HG21" 1 0 1 1 93.98 6617 + 6618 41 3.616000 27.507000 17.230000 424 V A 2 "VAL " "HG22" 1 0 1 1 93.98 6618 + 6619 41 2.055000 26.991000 16.590000 424 V A 2 "VAL " "HG23" 1 0 1 1 93.98 6619 + 6620 25 0.239000 26.177000 21.066000 425 R A 2 "ARG " " N " 7 0 1 1 102.38 6620 + 6621 3 -0.234000 26.095000 22.456000 425 R A 2 "ARG " " CA " 6 0 1 1 107.54 6621 + 6622 2 0.269000 24.849000 23.199000 425 R A 2 "ARG " " C " 6 0 1 1 105.4 6622 + 6623 15 0.662000 24.981000 24.357000 425 R A 2 "ARG " " O " 8 0 1 1 107.95 6623 + 6624 3 -1.771000 26.139000 22.566000 425 R A 2 "ARG " " CB " 6 0 1 1 112.3 6624 + 6625 3 -2.408000 27.468000 22.148000 425 R A 2 "ARG " " CG " 6 0 1 1 115.09 6625 + 6626 3 -3.788000 27.701000 22.785000 425 R A 2 "ARG " " CD " 6 0 1 1 110.75 6626 + 6627 25 -4.741000 26.631000 22.475000 425 R A 2 "ARG " " NE " 7 0 1 1 113.1 6627 + 6628 2 -5.402000 26.470000 21.320000 425 R A 2 "ARG " " CZ " 6 0 1 1 109.53 6628 + 6629 25 -5.248000 27.327000 20.299000 425 R A 2 "ARG " " NH1" 7 0 1 1 109.98 6629 + 6630 31 -6.235000 25.429000 21.200000 425 R A 2 "ARG " " NH2" 7 1 1 1 107.77 6630 + 6631 43 -0.458000 26.101000 20.339000 425 R A 2 "ARG " " H " 1 0 1 1 102.38 6631 + 6632 41 0.163000 26.965000 22.982000 425 R A 2 "ARG " " HA " 1 0 1 1 107.54 6632 + 6633 41 -2.026000 25.979000 23.616000 425 R A 2 "ARG " " HB3" 1 0 1 1 112.3 6633 + 6634 41 -2.227000 25.313000 22.020000 425 R A 2 "ARG " " HB2" 1 0 1 1 112.3 6634 + 6635 41 -2.444000 27.555000 21.068000 425 R A 2 "ARG " " HG3" 1 0 1 1 115.09 6635 + 6636 41 -1.767000 28.280000 22.488000 425 R A 2 "ARG " " HG2" 1 0 1 1 115.09 6636 + 6637 41 -4.213000 28.649000 22.455000 425 R A 2 "ARG " " HD3" 1 0 1 1 110.75 6637 + 6638 41 -3.697000 27.770000 23.866000 425 R A 2 "ARG " " HD2" 1 0 1 1 110.75 6638 + 6639 43 -4.838000 25.917000 23.182000 425 R A 2 "ARG " " HE " 1 0 1 1 113.1 6639 + 6640 43 -5.749000 27.203000 19.431000 425 R A 2 "ARG " "HH12" 1 0 1 1 109.98 6640 + 6641 43 -4.601000 28.102000 20.382000 425 R A 2 "ARG " "HH11" 1 0 1 1 109.98 6641 + 6642 44 -6.752000 25.283000 20.346000 425 R A 2 "ARG " "HH22" 1 0 1 1 107.77 6642 + 6643 44 -6.347000 24.774000 21.961000 425 R A 2 "ARG " "HH21" 1 0 1 1 107.77 6643 + 6644 25 0.249000 23.682000 22.532000 426 D A 2 "ASP " " N " 7 0 1 1 107.64 6644 + 6645 3 0.682000 22.402000 23.107000 426 D A 2 "ASP " " CA " 6 0 1 1 109.72 6645 + 6646 2 2.200000 22.347000 23.337000 426 D A 2 "ASP " " C " 6 0 1 1 106.56 6646 + 6647 15 2.629000 21.859000 24.382000 426 D A 2 "ASP " " O " 8 0 1 1 105.5 6647 + 6648 3 0.213000 21.157000 22.313000 426 D A 2 "ASP " " CB " 6 0 1 1 114.84 6648 + 6649 2 -1.298000 21.040000 22.061000 426 D A 2 "ASP " " CG " 6 0 1 1 120.86 6649 + 6650 15 -1.671000 20.031000 21.426000 426 D A 2 "ASP " " OD1" 8 0 1 1 120.63 6650 + 6651 18 -2.062000 21.919000 22.519000 426 D A 2 "ASP " " OD2" 8 -1 1 1 131.01 6651 + 6652 43 -0.112000 23.647000 21.589000 426 D A 2 "ASP " " H " 1 0 1 1 107.64 6652 + 6653 41 0.218000 22.333000 24.094000 426 D A 2 "ASP " " HA " 1 0 1 1 109.72 6653 + 6654 41 0.525000 20.261000 22.852000 426 D A 2 "ASP " " HB3" 1 0 1 1 114.84 6654 + 6655 41 0.709000 21.155000 21.341000 426 D A 2 "ASP " " HB2" 1 0 1 1 114.84 6655 + 6656 25 2.981000 22.874000 22.383000 427 T A 2 "THR " " N " 7 0 1 1 102.31 6656 + 6657 3 4.439000 22.956000 22.473000 427 T A 2 "THR " " CA " 6 0 1 1 95.34 6657 + 6658 2 4.912000 24.010000 23.494000 427 T A 2 "THR " " C " 6 0 1 1 91.63 6658 + 6659 15 5.872000 23.740000 24.210000 427 T A 2 "THR " " O " 8 0 1 1 87.17 6659 + 6660 3 5.050000 23.286000 21.095000 427 T A 2 "THR " " CB " 6 0 1 1 91.84 6660 + 6661 16 4.711000 22.242000 20.206000 427 T A 2 "THR " " OG1" 8 0 1 1 99.34 6661 + 6662 3 6.579000 23.438000 21.040000 427 T A 2 "THR " " CG2" 6 0 1 1 92.3 6662 + 6663 43 2.566000 23.227000 21.530000 427 T A 2 "THR " " H " 1 0 1 1 102.31 6663 + 6664 41 4.817000 21.983000 22.792000 427 T A 2 "THR " " HA " 1 0 1 1 95.34 6664 + 6665 41 4.597000 24.206000 20.722000 427 T A 2 "THR " " HB " 1 0 1 1 91.84 6665 + 6666 42 4.738000 22.609000 19.312000 427 T A 2 "THR " " HG1" 1 0 1 1 99.34 6666 + 6667 41 6.910000 23.582000 20.013000 427 T A 2 "THR " "HG21" 1 0 1 1 92.3 6667 + 6668 41 6.925000 24.299000 21.601000 427 T A 2 "THR " "HG22" 1 0 1 1 92.3 6668 + 6669 41 7.084000 22.558000 21.438000 427 T A 2 "THR " "HG23" 1 0 1 1 92.3 6669 + 6670 25 4.206000 25.151000 23.594000 428 A A 2 "ALA " " N " 7 0 1 1 87.03 6670 + 6671 3 4.439000 26.175000 24.617000 428 A A 2 "ALA " " CA " 6 0 1 1 86.21 6671 + 6672 2 4.080000 25.711000 26.036000 428 A A 2 "ALA " " C " 6 0 1 1 88.35 6672 + 6673 15 4.729000 26.157000 26.981000 428 A A 2 "ALA " " O " 8 0 1 1 95.85 6673 + 6674 3 3.676000 27.453000 24.251000 428 A A 2 "ALA " " CB " 6 0 1 1 85.58 6674 + 6675 43 3.435000 25.322000 22.961000 428 A A 2 "ALA " " H " 1 0 1 1 87.03 6675 + 6676 41 5.503000 26.412000 24.628000 428 A A 2 "ALA " " HA " 1 0 1 1 86.21 6676 + 6677 41 3.824000 28.235000 24.996000 428 A A 2 "ALA " " HB1" 1 0 1 1 85.58 6677 + 6678 41 4.014000 27.849000 23.294000 428 A A 2 "ALA " " HB2" 1 0 1 1 85.58 6678 + 6679 41 2.606000 27.263000 24.172000 428 A A 2 "ALA " " HB3" 1 0 1 1 85.58 6679 + 6680 25 3.101000 24.797000 26.159000 429 A A 2 "ALA " " N " 7 0 1 1 86.35 6680 + 6681 3 2.760000 24.118000 27.409000 429 A A 2 "ALA " " CA " 6 0 1 1 86.88 6681 + 6682 2 3.832000 23.103000 27.834000 429 A A 2 "ALA " " C " 6 0 1 1 90.25 6682 + 6683 15 4.150000 23.037000 29.020000 429 A A 2 "ALA " " O " 8 0 1 1 90.68 6683 + 6684 3 1.388000 23.439000 27.274000 429 A A 2 "ALA " " CB " 6 0 1 1 84.58 6684 + 6685 43 2.592000 24.500000 25.338000 429 A A 2 "ALA " " H " 1 0 1 1 86.35 6685 + 6686 41 2.694000 24.871000 28.195000 429 A A 2 "ALA " " HA " 1 0 1 1 86.88 6686 + 6687 41 1.073000 23.001000 28.221000 429 A A 2 "ALA " " HB1" 1 0 1 1 84.58 6687 + 6688 41 0.620000 24.152000 26.974000 429 A A 2 "ALA " " HB2" 1 0 1 1 84.58 6688 + 6689 41 1.398000 22.642000 26.532000 429 A A 2 "ALA " " HB3" 1 0 1 1 84.58 6689 + 6690 25 4.386000 22.359000 26.861000 430 W A 2 "TRP " " N " 7 0 1 1 93.77 6690 + 6691 3 5.478000 21.403000 27.054000 430 W A 2 "TRP " " CA " 6 0 1 1 88.97 6691 + 6692 2 6.799000 22.081000 27.458000 430 W A 2 "TRP " " C " 6 0 1 1 85.59 6692 + 6693 15 7.458000 21.604000 28.381000 430 W A 2 "TRP " " O " 8 0 1 1 85.45 6693 + 6694 3 5.628000 20.544000 25.782000 430 W A 2 "TRP " " CB " 6 0 1 1 91.34 6694 + 6695 2 6.780000 19.580000 25.733000 430 W A 2 "TRP " " CG " 6 0 1 1 89.88 6695 + 6696 2 6.796000 18.350000 26.295000 430 W A 2 "TRP " " CD1" 6 0 1 1 89.5 6696 + 6697 2 8.109000 19.772000 25.154000 430 W A 2 "TRP " " CD2" 6 0 1 1 91.93 6697 + 6698 25 8.016000 17.751000 26.060000 430 W A 2 "TRP " " NE1" 7 0 1 1 91.46 6698 + 6699 2 8.865000 18.577000 25.353000 430 W A 2 "TRP " " CE2" 6 0 1 1 93.88 6699 + 6700 2 8.754000 20.832000 24.473000 430 W A 2 "TRP " " CE3" 6 0 1 1 87.85 6700 + 6701 2 10.186000 18.436000 24.887000 430 W A 2 "TRP " " CZ2" 6 0 1 1 93.36 6701 + 6702 2 10.085000 20.710000 24.024000 430 W A 2 "TRP " " CZ3" 6 0 1 1 87.81 6702 + 6703 2 10.801000 19.515000 24.227000 430 W A 2 "TRP " " CH2" 6 0 1 1 94.8 6703 + 6704 43 4.050000 22.460000 25.912000 430 W A 2 "TRP " " H " 1 0 1 1 93.77 6704 + 6705 41 5.201000 20.737000 27.873000 430 W A 2 "TRP " " HA " 1 0 1 1 88.97 6705 + 6706 41 5.728000 21.194000 24.913000 430 W A 2 "TRP " " HB3" 1 0 1 1 91.34 6706 + 6707 41 4.709000 19.979000 25.620000 430 W A 2 "TRP " " HB2" 1 0 1 1 91.34 6707 + 6708 41 5.966000 17.913000 26.830000 430 W A 2 "TRP " " HD1" 1 0 1 1 89.5 6708 + 6709 43 8.234000 16.818000 26.382000 430 W A 2 "TRP " " HE1" 1 0 1 1 91.46 6709 + 6710 41 8.215000 21.750000 24.293000 430 W A 2 "TRP " " HE3" 1 0 1 1 87.85 6710 + 6711 41 10.731000 17.519000 25.055000 430 W A 2 "TRP " " HZ2" 1 0 1 1 93.36 6711 + 6712 41 10.552000 21.533000 23.504000 430 W A 2 "TRP " " HZ3" 1 0 1 1 87.81 6712 + 6713 41 11.819000 19.426000 23.876000 430 W A 2 "TRP " " HH2" 1 0 1 1 94.8 6713 + 6714 25 7.144000 23.183000 26.773000 431 T A 2 "THR " " N " 7 0 1 1 82.71 6714 + 6715 3 8.352000 23.967000 27.018000 431 T A 2 "THR " " CA " 6 0 1 1 88.2 6715 + 6716 2 8.332000 24.666000 28.389000 431 T A 2 "THR " " C " 6 0 1 1 93.82 6716 + 6717 15 9.349000 24.605000 29.077000 431 T A 2 "THR " " O " 8 0 1 1 98.76 6717 + 6718 3 8.576000 25.022000 25.904000 431 T A 2 "THR " " CB " 6 0 1 1 89.5 6718 + 6719 16 8.854000 24.332000 24.703000 431 T A 2 "THR " " OG1" 8 0 1 1 89.51 6719 + 6720 3 9.718000 26.022000 26.140000 431 T A 2 "THR " " CG2" 6 0 1 1 91.82 6720 + 6721 43 6.567000 23.490000 26.000000 431 T A 2 "THR " " H " 1 0 1 1 82.71 6721 + 6722 41 9.198000 23.276000 27.010000 431 T A 2 "THR " " HA " 1 0 1 1 88.2 6722 + 6723 41 7.654000 25.583000 25.745000 431 T A 2 "THR " " HB " 1 0 1 1 89.5 6723 + 6724 42 9.217000 24.951000 24.061000 431 T A 2 "THR " " HG1" 1 0 1 1 89.51 6724 + 6725 41 9.889000 26.643000 25.260000 431 T A 2 "THR " "HG21" 1 0 1 1 91.82 6725 + 6726 41 9.498000 26.693000 26.969000 431 T A 2 "THR " "HG22" 1 0 1 1 91.82 6726 + 6727 41 10.643000 25.498000 26.373000 431 T A 2 "THR " "HG23" 1 0 1 1 91.82 6727 + 6728 25 7.188000 25.254000 28.793000 432 V A 2 "VAL " " N " 7 0 1 1 97.77 6728 + 6729 3 7.037000 25.842000 30.130000 432 V A 2 "VAL " " CA " 6 0 1 1 101.42 6729 + 6730 2 6.993000 24.768000 31.238000 432 V A 2 "VAL " " C " 6 0 1 1 103.68 6730 + 6731 15 7.507000 25.017000 32.327000 432 V A 2 "VAL " " O " 8 0 1 1 105.72 6731 + 6732 3 5.804000 26.797000 30.247000 432 V A 2 "VAL " " CB " 6 0 1 1 99.69 6732 + 6733 3 4.515000 26.202000 30.862000 432 V A 2 "VAL " " CG1" 6 0 1 1 99.9 6733 + 6734 3 6.177000 28.084000 31.001000 432 V A 2 "VAL " " CG2" 6 0 1 1 96.38 6734 + 6735 43 6.376000 25.273000 28.190000 432 V A 2 "VAL " " H " 1 0 1 1 97.77 6735 + 6736 41 7.937000 26.435000 30.309000 432 V A 2 "VAL " " HA " 1 0 1 1 101.42 6736 + 6737 41 5.538000 27.117000 29.240000 432 V A 2 "VAL " " HB " 1 0 1 1 99.69 6737 + 6738 41 3.744000 26.962000 30.935000 432 V A 2 "VAL " "HG11" 1 0 1 1 99.9 6738 + 6739 41 4.122000 25.388000 30.255000 432 V A 2 "VAL " "HG12" 1 0 1 1 99.9 6739 + 6740 41 4.655000 25.841000 31.880000 432 V A 2 "VAL " "HG13" 1 0 1 1 99.9 6740 + 6741 41 5.346000 28.788000 31.026000 432 V A 2 "VAL " "HG21" 1 0 1 1 96.38 6741 + 6742 41 6.463000 27.870000 32.031000 432 V A 2 "VAL " "HG22" 1 0 1 1 96.38 6742 + 6743 41 7.015000 28.594000 30.525000 432 V A 2 "VAL " "HG23" 1 0 1 1 96.38 6743 + 6744 25 6.422000 23.589000 30.927000 433 G A 2 "GLY " " N " 7 0 1 1 103.75 6744 + 6745 3 6.350000 22.435000 31.823000 433 G A 2 "GLY " " CA " 6 0 1 1 106.21 6745 + 6746 2 7.741000 21.840000 32.097000 433 G A 2 "GLY " " C " 6 0 1 1 108.44 6746 + 6747 15 7.958000 21.294000 33.177000 433 G A 2 "GLY " " O " 8 0 1 1 109.03 6747 + 6748 43 6.006000 23.473000 30.013000 433 G A 2 "GLY " " H " 1 0 1 1 103.75 6748 + 6749 41 5.722000 21.671000 31.364000 433 G A 2 "GLY " " HA3" 1 0 1 1 106.21 6749 + 6750 41 5.876000 22.724000 32.763000 433 G A 2 "GLY " " HA2" 1 0 1 1 106.21 6750 + 6751 25 8.685000 21.988000 31.149000 434 R A 2 "ARG " " N " 7 0 1 1 110.02 6751 + 6752 3 10.094000 21.626000 31.302000 434 R A 2 "ARG " " CA " 6 0 1 1 107.89 6752 + 6753 2 10.886000 22.669000 32.097000 434 R A 2 "ARG " " C " 6 0 1 1 103.8 6753 + 6754 15 11.699000 22.256000 32.919000 434 R A 2 "ARG " " O " 8 0 1 1 107.95 6754 + 6755 3 10.725000 21.383000 29.921000 434 R A 2 "ARG " " CB " 6 0 1 1 103.55 6755 + 6756 3 10.350000 20.001000 29.374000 434 R A 2 "ARG " " CG " 6 0 1 1 100.3 6756 + 6757 3 10.854000 19.736000 27.953000 434 R A 2 "ARG " " CD " 6 0 1 1 103.23 6757 + 6758 25 12.319000 19.684000 27.848000 434 R A 2 "ARG " " NE " 7 0 1 1 103.56 6758 + 6759 2 13.120000 18.675000 28.228000 434 R A 2 "ARG " " CZ " 6 0 1 1 105.55 6759 + 6760 25 12.635000 17.571000 28.812000 434 R A 2 "ARG " " NH1" 7 0 1 1 95.87 6760 + 6761 31 14.437000 18.772000 28.008000 434 R A 2 "ARG " " NH2" 7 1 1 1 104.37 6761 + 6762 43 8.434000 22.424000 30.273000 434 R A 2 "ARG " " H " 1 0 1 1 110.02 6762 + 6763 41 10.140000 20.691000 31.866000 434 R A 2 "ARG " " HA " 1 0 1 1 107.89 6763 + 6764 41 11.813000 21.437000 29.987000 434 R A 2 "ARG " " HB3" 1 0 1 1 103.55 6764 + 6765 41 10.424000 22.167000 29.225000 434 R A 2 "ARG " " HB2" 1 0 1 1 103.55 6765 + 6766 41 9.273000 19.836000 29.402000 434 R A 2 "ARG " " HG3" 1 0 1 1 100.3 6766 + 6767 41 10.779000 19.258000 30.047000 434 R A 2 "ARG " " HG2" 1 0 1 1 100.3 6767 + 6768 41 10.546000 20.570000 27.321000 434 R A 2 "ARG " " HD3" 1 0 1 1 103.23 6768 + 6769 41 10.393000 18.841000 27.545000 434 R A 2 "ARG " " HD2" 1 0 1 1 103.23 6769 + 6770 43 12.751000 20.487000 27.405000 434 R A 2 "ARG " " HE " 1 0 1 1 103.56 6770 + 6771 43 13.257000 16.827000 29.097000 434 R A 2 "ARG " "HH12" 1 0 1 1 95.87 6771 + 6772 43 11.644000 17.484000 28.985000 434 R A 2 "ARG " "HH11" 1 0 1 1 95.87 6772 + 6773 44 15.056000 18.022000 28.289000 434 R A 2 "ARG " "HH22" 1 0 1 1 104.37 6773 + 6774 44 14.820000 19.583000 27.543000 434 R A 2 "ARG " "HH21" 1 0 1 1 104.37 6774 + 6775 25 10.625000 23.974000 31.893000 435 I A 2 "ILE " " N " 7 0 1 1 97.76 6775 + 6776 3 11.236000 25.064000 32.674000 435 I A 2 "ILE " " CA " 6 0 1 1 95.64 6776 + 6777 2 10.958000 24.942000 34.186000 435 I A 2 "ILE " " C " 6 0 1 1 100.79 6777 + 6778 15 11.843000 25.240000 34.986000 435 I A 2 "ILE " " O " 8 0 1 1 106.79 6778 + 6779 3 10.781000 26.472000 32.178000 435 I A 2 "ILE " " CB " 6 0 1 1 86.08 6779 + 6780 3 11.367000 26.751000 30.785000 435 I A 2 "ILE " " CG1" 6 0 1 1 85.49 6780 + 6781 3 11.124000 27.647000 33.123000 435 I A 2 "ILE " " CG2" 6 0 1 1 76.21 6781 + 6782 3 10.762000 27.959000 30.073000 435 I A 2 "ILE " " CD1" 6 0 1 1 87.72 6782 + 6783 43 9.949000 24.246000 31.192000 435 I A 2 "ILE " " H " 1 0 1 1 97.76 6783 + 6784 41 12.317000 24.989000 32.537000 435 I A 2 "ILE " " HA " 1 0 1 1 95.64 6784 + 6785 41 9.696000 26.451000 32.076000 435 I A 2 "ILE " " HB " 1 0 1 1 86.08 6785 + 6786 41 11.199000 25.892000 30.146000 435 I A 2 "ILE " "HG13" 1 0 1 1 85.49 6786 + 6787 41 12.448000 26.873000 30.857000 435 I A 2 "ILE " "HG12" 1 0 1 1 85.49 6787 + 6788 41 10.849000 28.605000 32.686000 435 I A 2 "ILE " "HG21" 1 0 1 1 76.21 6788 + 6789 41 10.587000 27.591000 34.070000 435 I A 2 "ILE " "HG22" 1 0 1 1 76.21 6789 + 6790 41 12.191000 27.662000 33.342000 435 I A 2 "ILE " "HG23" 1 0 1 1 76.21 6790 + 6791 41 10.661000 27.737000 29.012000 435 I A 2 "ILE " "HD11" 1 0 1 1 87.72 6791 + 6792 41 9.773000 28.207000 30.458000 435 I A 2 "ILE " "HD12" 1 0 1 1 87.72 6792 + 6793 41 11.396000 28.841000 30.175000 435 I A 2 "ILE " "HD13" 1 0 1 1 87.72 6793 + 6794 25 9.754000 24.458000 34.528000 436 C A 2 "CYS " " N " 7 0 1 1 105.01 6794 + 6795 3 9.325000 24.148000 35.887000 436 C A 2 "CYS " " CA " 6 0 1 1 112.16 6795 + 6796 2 10.080000 22.926000 36.436000 436 C A 2 "CYS " " C " 6 0 1 1 114.87 6796 + 6797 15 10.845000 23.067000 37.390000 436 C A 2 "CYS " " O " 8 0 1 1 117.26 6797 + 6798 3 7.802000 23.907000 35.953000 436 C A 2 "CYS " " CB " 6 0 1 1 119.09 6798 + 6799 49 6.892000 25.406000 35.490000 436 C A 2 "CYS " " SG " 16 0 1 1 136.03 6799 + 6800 43 9.088000 24.250000 33.798000 436 C A 2 "CYS " " H " 1 0 1 1 105.01 6800 + 6801 41 9.565000 25.003000 36.524000 436 C A 2 "CYS " " HA " 1 0 1 1 112.16 6801 + 6802 41 7.498000 23.621000 36.961000 436 C A 2 "CYS " " HB3" 1 0 1 1 119.09 6802 + 6803 41 7.494000 23.103000 35.285000 436 C A 2 "CYS " " HB2" 1 0 1 1 119.09 6803 + 6804 41 7.207000 25.370000 34.190000 436 C A 2 "CYS " " HG " 1 0 1 1 136.03 6804 + 6805 25 9.836000 21.758000 35.814000 437 E A 2 "GLU " " N " 7 0 1 1 118.75 6805 + 6806 3 10.282000 20.433000 36.248000 437 E A 2 "GLU " " CA " 6 0 1 1 124.37 6806 + 6807 2 11.812000 20.256000 36.327000 437 E A 2 "GLU " " C " 6 0 1 1 124.6 6807 + 6808 15 12.277000 19.539000 37.213000 437 E A 2 "GLU " " O " 8 0 1 1 122.78 6808 + 6809 3 9.598000 19.387000 35.340000 437 E A 2 "GLU " " CB " 6 0 1 1 128.28 6809 + 6810 3 9.879000 17.910000 35.682000 437 E A 2 "GLU " " CG " 6 0 1 1 136.63 6810 + 6811 2 9.128000 16.955000 34.752000 437 E A 2 "GLU " " CD " 6 0 1 1 143.95 6811 + 6812 15 7.884000 17.066000 34.693000 437 E A 2 "GLU " " OE1" 8 0 1 1 144.27 6812 + 6813 18 9.813000 16.127000 34.113000 437 E A 2 "GLU " " OE2" 8 -1 1 1 147.57 6813 + 6814 43 9.221000 21.756000 35.011000 437 E A 2 "GLU " " H " 1 0 1 1 118.75 6814 + 6815 41 9.897000 20.291000 37.260000 437 E A 2 "GLU " " HA " 1 0 1 1 124.37 6815 + 6816 41 9.891000 19.571000 34.304000 437 E A 2 "GLU " " HB3" 1 0 1 1 128.28 6816 + 6817 41 8.520000 19.557000 35.375000 437 E A 2 "GLU " " HB2" 1 0 1 1 128.28 6817 + 6818 41 9.578000 17.699000 36.708000 437 E A 2 "GLU " " HG3" 1 0 1 1 136.63 6818 + 6819 41 10.946000 17.693000 35.615000 437 E A 2 "GLU " " HG2" 1 0 1 1 136.63 6819 + 6820 25 12.561000 20.916000 35.427000 438 L A 2 "LEU " " N " 7 0 1 1 126.3 6820 + 6821 3 14.023000 20.852000 35.382000 438 L A 2 "LEU " " CA " 6 0 1 1 125.74 6821 + 6822 2 14.710000 21.870000 36.313000 438 L A 2 "LEU " " C " 6 0 1 1 123.52 6822 + 6823 15 15.819000 21.575000 36.758000 438 L A 2 "LEU " " O " 8 0 1 1 127.09 6823 + 6824 3 14.519000 21.046000 33.931000 438 L A 2 "LEU " " CB " 6 0 1 1 128.28 6824 + 6825 3 14.196000 19.885000 32.970000 438 L A 2 "LEU " " CG " 6 0 1 1 126.84 6825 + 6826 3 14.406000 20.322000 31.513000 438 L A 2 "LEU " " CD1" 6 0 1 1 129.16 6826 + 6827 3 15.007000 18.616000 33.300000 438 L A 2 "LEU " " CD2" 6 0 1 1 126.51 6827 + 6828 43 12.113000 21.482000 34.717000 438 L A 2 "LEU " " H " 1 0 1 1 126.3 6828 + 6829 41 14.341000 19.863000 35.715000 438 L A 2 "LEU " " HA " 1 0 1 1 125.74 6829 + 6830 41 15.600000 21.197000 33.920000 438 L A 2 "LEU " " HB3" 1 0 1 1 128.28 6830 + 6831 41 14.097000 21.967000 33.539000 438 L A 2 "LEU " " HB2" 1 0 1 1 128.28 6831 + 6832 41 13.136000 19.647000 33.071000 438 L A 2 "LEU " " HG " 1 0 1 1 126.84 6832 + 6833 41 13.960000 19.609000 30.820000 438 L A 2 "LEU " "HD11" 1 0 1 1 129.16 6833 + 6834 41 13.953000 21.293000 31.316000 438 L A 2 "LEU " "HD12" 1 0 1 1 129.16 6834 + 6835 41 15.466000 20.405000 31.281000 438 L A 2 "LEU " "HD13" 1 0 1 1 129.16 6835 + 6836 41 15.539000 18.236000 32.429000 438 L A 2 "LEU " "HD21" 1 0 1 1 126.51 6836 + 6837 41 15.750000 18.788000 34.078000 438 L A 2 "LEU " "HD22" 1 0 1 1 126.51 6837 + 6838 41 14.350000 17.818000 33.648000 438 L A 2 "LEU " "HD23" 1 0 1 1 126.51 6838 + 6839 25 14.092000 23.039000 36.575000 439 L A 2 "LEU " " N " 7 0 0 1 116.14 6839 + 6840 3 14.733000 24.130000 37.319000 439 L A 2 "LEU " " CA " 6 0 0 1 114.6 6840 + 6841 2 13.712000 25.076000 37.996000 439 L A 2 "LEU " " C " 6 0 0 1 120.13 6841 + 6842 15 13.411000 26.130000 37.436000 439 L A 2 "LEU " " O " 8 0 0 1 116.41 6842 + 6843 3 15.818000 24.858000 36.468000 439 L A 2 "LEU " " CB " 6 0 0 1 104.37 6843 + 6844 3 15.412000 25.500000 35.111000 439 L A 2 "LEU " " CG " 6 0 0 1 92.62 6844 + 6845 3 16.426000 26.591000 34.710000 439 L A 2 "LEU " " CD1" 6 0 0 1 93 6845 + 6846 3 15.257000 24.464000 33.982000 439 L A 2 "LEU " " CD2" 6 0 0 1 87.84 6846 + 6847 43 13.172000 23.225000 36.200000 439 L A 2 "LEU " " H " 1 0 0 1 116.14 6847 + 6848 41 15.311000 23.679000 38.124000 439 L A 2 "LEU " " HA " 1 0 0 1 114.6 6848 + 6849 41 16.664000 24.189000 36.302000 439 L A 2 "LEU " " HB3" 1 0 0 1 104.37 6849 + 6850 41 16.219000 25.648000 37.105000 439 L A 2 "LEU " " HB2" 1 0 0 1 104.37 6850 + 6851 41 14.453000 26.004000 35.209000 439 L A 2 "LEU " " HG " 1 0 0 1 92.62 6851 + 6852 41 16.676000 26.584000 33.649000 439 L A 2 "LEU " "HD11" 1 0 0 1 93 6852 + 6853 41 16.031000 27.582000 34.932000 439 L A 2 "LEU " "HD12" 1 0 0 1 93 6853 + 6854 41 17.367000 26.475000 35.248000 439 L A 2 "LEU " "HD13" 1 0 0 1 93 6854 + 6855 41 15.584000 24.832000 33.009000 439 L A 2 "LEU " "HD21" 1 0 0 1 87.84 6855 + 6856 41 15.832000 23.562000 34.184000 439 L A 2 "LEU " "HD22" 1 0 0 1 87.84 6856 + 6857 41 14.211000 24.185000 33.869000 439 L A 2 "LEU " "HD23" 1 0 0 1 87.84 6857 + 6858 25 13.206000 24.731000 39.210000 440 P A 2 "PRO " " N " 7 0 0 1 125.9 6858 + 6859 3 12.302000 25.618000 39.975000 440 P A 2 "PRO " " CA " 6 0 0 1 124.94 6859 + 6860 2 12.953000 26.862000 40.560000 440 P A 2 "PRO " " C " 6 0 0 1 127.04 6860 + 6861 15 12.429000 27.552000 41.433000 440 P A 2 "PRO " " O " 8 0 0 1 127.56 6861 + 6862 3 11.720000 24.675000 41.048000 440 P A 2 "PRO " " CB " 6 0 0 1 122.7 6862 + 6863 3 12.839000 23.685000 41.321000 440 P A 2 "PRO " " CG " 6 0 0 1 125.49 6863 + 6864 3 13.463000 23.484000 39.943000 440 P A 2 "PRO " " CD " 6 0 0 1 125.36 6864 + 6865 41 11.481000 25.947000 39.334000 440 P A 2 "PRO " " HA " 1 0 0 1 124.94 6865 + 6866 41 13.932000 27.112000 40.150000 440 P A 2 "PRO " " HXT" 1 0 0 1 127.04 6866 + 6867 41 10.864000 24.140000 40.632000 440 P A 2 "PRO " " HB3" 1 0 0 1 122.7 6867 + 6868 41 11.371000 25.170000 41.956000 440 P A 2 "PRO " " HB2" 1 0 0 1 122.7 6868 + 6869 41 12.496000 22.756000 41.778000 440 P A 2 "PRO " " HG3" 1 0 0 1 125.49 6869 + 6870 41 13.570000 24.140000 41.992000 440 P A 2 "PRO " " HG2" 1 0 0 1 125.49 6870 + 6871 41 14.520000 23.243000 40.049000 440 P A 2 "PRO " " HD2" 1 0 0 1 125.36 6871 + 6872 41 12.974000 22.664000 39.414000 440 P A 2 "PRO " " HD3" 1 0 0 1 125.36 6872 + ::: + } + m_bond[6936] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 9 1 + 3 1 10 1 + 4 1 11 1 + 5 2 3 1 + 6 2 5 1 + 7 2 12 1 + 8 3 4 2 + 9 3 20 1 + 10 5 6 1 + 11 5 13 1 + 12 5 14 1 + 13 6 7 1 + 14 6 15 1 + 15 6 16 1 + 16 7 8 1 + 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/Users/ramso/Yandex.Disk.localized/Work/biocad/protein-protein-docking-benchmark/dataset/difficult/1IBR_OG/pw/1IBR_l_u.pdb + 1 + 2 + m_atom[6872] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + r_m_pdb_tfactor + i_pdb_PDB_serial + ::: + 1 32 -10.610000 -33.461000 -2.911000 1 M A 2 "MET " " N " 7 1 0 1 127.84 1 + 2 3 -10.103000 -32.072000 -3.167000 1 M A 2 "MET " " CA " 6 0 0 1 115.87 2 + 3 2 -8.567000 -32.200000 -3.206000 1 M A 2 "MET " " C " 6 0 0 1 107.71 3 + 4 15 -7.977000 -32.870000 -2.354000 1 M A 2 "MET " " O " 8 0 0 1 102.24 4 + 5 3 -10.539000 -31.103000 -2.042000 1 M A 2 "MET " " CB " 6 0 0 1 116.29 5 + 6 3 -12.045000 -30.795000 -1.978000 1 M A 2 "MET " " CG " 6 0 0 1 124.01 6 + 7 49 -12.533000 -29.231000 -2.757000 1 M A 2 "MET " " SD " 16 0 0 1 133.22 7 + 8 3 -12.065000 -28.052000 -1.461000 1 M A 2 "MET " " CE " 6 0 0 1 128.62 8 + 9 44 -11.618000 -33.440000 -2.855000 1 M A 2 "MET " " H1 " 1 0 0 1 127.84 9 + 10 44 -10.322000 -34.062000 -3.669000 1 M A 2 "MET " " H2 " 1 0 0 1 127.84 10 + 11 44 -10.223000 -33.790000 -2.037000 1 M A 2 "MET " " H3 " 1 0 0 1 127.84 11 + 12 41 -10.509000 -31.779000 -4.137000 1 M A 2 "MET " " HA " 1 0 0 1 115.87 12 + 13 41 -10.018000 -30.158000 -2.191000 1 M A 2 "MET " " HB3" 1 0 0 1 116.29 13 + 14 41 -10.210000 -31.478000 -1.071000 1 M A 2 "MET " " HB2" 1 0 0 1 116.29 14 + 15 41 -12.369000 -30.767000 -0.937000 1 M A 2 "MET " " HG3" 1 0 0 1 124.01 15 + 16 41 -12.617000 -31.596000 -2.445000 1 M A 2 "MET " " HG2" 1 0 0 1 124.01 16 + 17 41 -12.414000 -27.053000 -1.719000 1 M A 2 "MET " " HE1" 1 0 0 1 128.62 17 + 18 41 -12.505000 -28.332000 -0.504000 1 M A 2 "MET " " HE2" 1 0 0 1 128.62 18 + 19 41 -10.983000 -28.016000 -1.353000 1 M A 2 "MET " " HE3" 1 0 0 1 128.62 19 + 20 25 -7.943000 -31.504000 -4.172000 2 E A 2 "GLU " " N " 7 0 0 1 99.18 20 + 21 3 -6.502000 -31.253000 -4.207000 2 E A 2 "GLU " " CA " 6 0 0 1 97.54 21 + 22 2 -6.133000 -30.241000 -3.116000 2 E A 2 "GLU " " C " 6 0 0 1 91.3 22 + 23 15 -6.935000 -29.351000 -2.833000 2 E A 2 "GLU " " O " 8 0 0 1 90.67 23 + 24 3 -6.064000 -30.685000 -5.580000 2 E A 2 "GLU " " CB " 6 0 0 1 100.41 24 + 25 3 -6.353000 -31.577000 -6.807000 2 E A 2 "GLU " " CG " 6 0 0 1 110.35 25 + 26 2 -7.677000 -31.284000 -7.526000 2 E A 2 "GLU " " CD " 6 0 0 1 126.35 26 + 27 15 -8.662000 -30.925000 -6.843000 2 E A 2 "GLU " " OE1" 8 0 0 1 132.85 27 + 28 18 -7.677000 -31.428000 -8.767000 2 E A 2 "GLU " " OE2" 8 -1 0 1 133.45 28 + 29 43 -8.479000 -31.037000 -4.895000 2 E A 2 "GLU " " H " 1 0 0 1 99.18 29 + 30 41 -5.974000 -32.191000 -4.025000 2 E A 2 "GLU " " HA " 1 0 0 1 97.54 30 + 31 41 -4.987000 -30.510000 -5.550000 2 E A 2 "GLU " " HB3" 1 0 0 1 100.41 31 + 32 41 -6.500000 -29.695000 -5.730000 2 E A 2 "GLU " " HB2" 1 0 0 1 100.41 32 + 33 41 -6.320000 -32.631000 -6.532000 2 E A 2 "GLU " " HG3" 1 0 0 1 110.35 33 + 34 41 -5.552000 -31.432000 -7.533000 2 E A 2 "GLU " " HG2" 1 0 0 1 110.35 34 + 35 25 -4.906000 -30.352000 -2.575000 3 L A 2 "LEU " " N " 7 0 1 1 84.1 35 + 36 3 -4.355000 -29.411000 -1.590000 3 L A 2 "LEU " " CA " 6 0 1 1 74.92 36 + 37 2 -4.351000 -27.958000 -2.111000 3 L A 2 "LEU " " C " 6 0 1 1 74.54 37 + 38 15 -4.679000 -27.054000 -1.347000 3 L A 2 "LEU " " O " 8 0 1 1 68.18 38 + 39 3 -2.931000 -29.854000 -1.172000 3 L A 2 "LEU " " CB " 6 0 1 1 64.11 39 + 40 3 -2.621000 -29.746000 0.341000 3 L A 2 "LEU " " CG " 6 0 1 1 51.95 40 + 41 3 -1.157000 -30.119000 0.623000 3 L A 2 "LEU " " CD1" 6 0 1 1 70.29 41 + 42 3 -2.932000 -28.374000 0.949000 3 L A 2 "LEU " " CD2" 6 0 1 1 63.05 42 + 43 43 -4.302000 -31.110000 -2.856000 3 L A 2 "LEU " " H " 1 0 1 1 84.1 43 + 44 41 -5.013000 -29.462000 -0.721000 3 L A 2 "LEU " " HA " 1 0 1 1 74.92 44 + 45 41 -2.185000 -29.298000 -1.743000 3 L A 2 "LEU " " HB3" 1 0 1 1 64.11 45 + 46 41 -2.777000 -30.897000 -1.453000 3 L A 2 "LEU " " HB2" 1 0 1 1 64.11 46 + 47 41 -3.252000 -30.471000 0.858000 3 L A 2 "LEU " " HG " 1 0 1 1 51.95 47 + 48 41 -1.107000 -31.039000 1.205000 3 L A 2 "LEU " "HD11" 1 0 1 1 70.29 48 + 49 41 -0.595000 -30.263000 -0.298000 3 L A 2 "LEU " "HD12" 1 0 1 1 70.29 49 + 50 41 -0.625000 -29.356000 1.190000 3 L A 2 "LEU " "HD13" 1 0 1 1 70.29 50 + 51 41 -2.535000 -28.281000 1.958000 3 L A 2 "LEU " "HD21" 1 0 1 1 63.05 51 + 52 41 -2.468000 -27.599000 0.348000 3 L A 2 "LEU " "HD22" 1 0 1 1 63.05 52 + 53 41 -4.003000 -28.186000 1.011000 3 L A 2 "LEU " "HD23" 1 0 1 1 63.05 53 + 54 25 -4.064000 -27.792000 -3.417000 4 I A 2 "ILE " " N " 7 0 1 1 66.93 54 + 55 3 -4.089000 -26.537000 -4.175000 4 I A 2 "ILE " " CA " 6 0 1 1 64.39 55 + 56 2 -5.406000 -25.756000 -3.991000 4 I A 2 "ILE " " C " 6 0 1 1 64.83 56 + 57 15 -5.356000 -24.561000 -3.710000 4 I A 2 "ILE " " O " 8 0 1 1 66.5 57 + 58 3 -3.917000 -26.785000 -5.710000 4 I A 2 "ILE " " CB " 6 0 1 1 68.44 58 + 59 3 -2.747000 -27.735000 -6.054000 4 I A 2 "ILE " " CG1" 6 0 1 1 74.66 59 + 60 3 -3.804000 -25.479000 -6.531000 4 I A 2 "ILE " " CG2" 6 0 1 1 71.51 60 + 61 3 -1.388000 -27.271000 -5.530000 4 I A 2 "ILE " " CD1" 6 0 1 1 85.53 61 + 62 43 -3.829000 -28.611000 -3.958000 4 I A 2 "ILE " " H " 1 0 1 1 66.93 62 + 63 41 -3.271000 -25.912000 -3.812000 4 I A 2 "ILE " " HA " 1 0 1 1 64.39 63 + 64 41 -4.811000 -27.297000 -6.070000 4 I A 2 "ILE " " HB " 1 0 1 1 68.44 64 + 65 41 -2.689000 -27.868000 -7.135000 4 I A 2 "ILE " "HG13" 1 0 1 1 74.66 65 + 66 41 -2.952000 -28.731000 -5.659000 4 I A 2 "ILE " "HG12" 1 0 1 1 74.66 66 + 67 41 -3.632000 -25.692000 -7.586000 4 I A 2 "ILE " "HG21" 1 0 1 1 71.51 67 + 68 41 -4.713000 -24.879000 -6.482000 4 I A 2 "ILE " "HG22" 1 0 1 1 71.51 68 + 69 41 -2.983000 -24.854000 -6.183000 4 I A 2 "ILE " "HG23" 1 0 1 1 71.51 69 + 70 41 -0.587000 -27.909000 -5.904000 4 I A 2 "ILE " "HD11" 1 0 1 1 85.53 70 + 71 41 -1.165000 -26.250000 -5.834000 4 I A 2 "ILE " "HD12" 1 0 1 1 85.53 71 + 72 41 -1.368000 -27.302000 -4.443000 4 I A 2 "ILE " "HD13" 1 0 1 1 85.53 72 + 73 25 -6.546000 -26.461000 -4.111000 5 T A 2 "THR " " N " 7 0 1 1 63.91 73 + 74 3 -7.888000 -25.900000 -3.968000 5 T A 2 "THR " " CA " 6 0 1 1 68.92 74 + 75 2 -8.174000 -25.375000 -2.548000 5 T A 2 "THR " " C " 6 0 1 1 71.45 75 + 76 15 -8.737000 -24.288000 -2.435000 5 T A 2 "THR " " O " 8 0 1 1 79.08 76 + 77 3 -8.985000 -26.930000 -4.347000 5 T A 2 "THR " " CB " 6 0 1 1 66.78 77 + 78 16 -8.760000 -27.371000 -5.672000 5 T A 2 "THR " " OG1" 8 0 1 1 57.41 78 + 79 3 -10.433000 -26.411000 -4.260000 5 T A 2 "THR " " CG2" 6 0 1 1 60.47 79 + 80 43 -6.505000 -27.447000 -4.326000 5 T A 2 "THR " " H " 1 0 1 1 63.91 80 + 81 41 -7.959000 -25.053000 -4.654000 5 T A 2 "THR " " HA " 1 0 1 1 68.92 81 + 82 41 -8.901000 -27.805000 -3.702000 5 T A 2 "THR " " HB " 1 0 1 1 66.78 82 + 83 42 -9.453000 -27.989000 -5.919000 5 T A 2 "THR " " HG1" 1 0 1 1 57.41 83 + 84 41 -11.140000 -27.156000 -4.625000 5 T A 2 "THR " "HG21" 1 0 1 1 60.47 84 + 85 41 -10.718000 -26.173000 -3.236000 5 T A 2 "THR " "HG22" 1 0 1 1 60.47 85 + 86 41 -10.563000 -25.510000 -4.860000 5 T A 2 "THR " "HG23" 1 0 1 1 60.47 86 + 87 25 -7.750000 -26.109000 -1.499000 6 I A 2 "ILE " " N " 7 0 1 1 70.15 87 + 88 3 -7.910000 -25.656000 -0.114000 6 I A 2 "ILE " " CA " 6 0 1 1 65.75 88 + 89 2 -7.003000 -24.451000 0.218000 6 I A 2 "ILE " " C " 6 0 1 1 64.29 89 + 90 15 -7.485000 -23.525000 0.868000 6 I A 2 "ILE " " O " 8 0 1 1 67.36 90 + 91 3 -7.706000 -26.767000 0.964000 6 I A 2 "ILE " " CB " 6 0 1 1 69.79 91 + 92 3 -8.779000 -27.874000 0.868000 6 I A 2 "ILE " " CG1" 6 0 1 1 68.25 92 + 93 3 -7.760000 -26.179000 2.385000 6 I A 2 "ILE " " CG2" 6 0 1 1 72.6 93 + 94 3 -8.458000 -28.957000 -0.158000 6 I A 2 "ILE " " CD1" 6 0 1 1 81.42 94 + 95 43 -7.266000 -26.984000 -1.646000 6 I A 2 "ILE " " H " 1 0 1 1 70.15 95 + 96 41 -8.940000 -25.305000 -0.015000 6 I A 2 "ILE " " HA " 1 0 1 1 65.75 96 + 97 41 -6.724000 -27.224000 0.833000 6 I A 2 "ILE " " HB " 1 0 1 1 69.79 97 + 98 41 -9.756000 -27.436000 0.664000 6 I A 2 "ILE " "HG13" 1 0 1 1 68.25 98 + 99 41 -8.889000 -28.381000 1.827000 6 I A 2 "ILE " "HG12" 1 0 1 1 68.25 99 + 100 41 -7.883000 -26.928000 3.158000 6 I A 2 "ILE " "HG21" 1 0 1 1 72.6 100 + 101 41 -6.857000 -25.624000 2.622000 6 I A 2 "ILE " "HG22" 1 0 1 1 72.6 101 + 102 41 -8.599000 -25.496000 2.459000 6 I A 2 "ILE " "HG23" 1 0 1 1 72.6 102 + 103 41 -9.005000 -29.870000 0.070000 6 I A 2 "ILE " "HD11" 1 0 1 1 81.42 103 + 104 41 -8.734000 -28.632000 -1.159000 6 I A 2 "ILE " "HD12" 1 0 1 1 81.42 104 + 105 41 -7.398000 -29.209000 -0.160000 6 I A 2 "ILE " "HD13" 1 0 1 1 81.42 105 + 106 25 -5.742000 -24.461000 -0.254000 7 L A 2 "LEU " " N " 7 0 1 1 66.05 106 + 107 3 -4.787000 -23.356000 -0.092000 7 L A 2 "LEU " " CA " 6 0 1 1 67.18 107 + 108 2 -5.306000 -22.032000 -0.674000 7 L A 2 "LEU " " C " 6 0 1 1 72.16 108 + 109 15 -5.129000 -20.993000 -0.041000 7 L A 2 "LEU " " O " 8 0 1 1 75.02 109 + 110 3 -3.435000 -23.712000 -0.744000 7 L A 2 "LEU " " CB " 6 0 1 1 53.87 110 + 111 3 -2.642000 -24.806000 -0.011000 7 L A 2 "LEU " " CG " 6 0 1 1 56.06 111 + 112 3 -1.483000 -25.307000 -0.892000 7 L A 2 "LEU " " CD1" 6 0 1 1 46.6 112 + 113 3 -2.170000 -24.375000 1.392000 7 L A 2 "LEU " " CD2" 6 0 1 1 41.83 113 + 114 43 -5.414000 -25.262000 -0.779000 7 L A 2 "LEU " " H " 1 0 1 1 66.05 114 + 115 41 -4.644000 -23.201000 0.979000 7 L A 2 "LEU " " HA " 1 0 1 1 67.18 115 + 116 41 -2.804000 -22.828000 -0.819000 7 L A 2 "LEU " " HB3" 1 0 1 1 53.87 116 + 117 41 -3.613000 -24.026000 -1.773000 7 L A 2 "LEU " " HB2" 1 0 1 1 53.87 117 + 118 41 -3.322000 -25.636000 0.149000 7 L A 2 "LEU " " HG " 1 0 1 1 56.06 118 + 119 41 -0.626000 -25.644000 -0.309000 7 L A 2 "LEU " "HD11" 1 0 1 1 46.6 119 + 120 41 -1.803000 -26.151000 -1.504000 7 L A 2 "LEU " "HD12" 1 0 1 1 46.6 120 + 121 41 -1.140000 -24.526000 -1.569000 7 L A 2 "LEU " "HD13" 1 0 1 1 46.6 121 + 122 41 -1.102000 -24.507000 1.537000 7 L A 2 "LEU " "HD21" 1 0 1 1 41.83 122 + 123 41 -2.389000 -23.328000 1.600000 7 L A 2 "LEU " "HD22" 1 0 1 1 41.83 123 + 124 41 -2.664000 -24.971000 2.158000 7 L A 2 "LEU " "HD23" 1 0 1 1 41.83 124 + 125 25 -5.976000 -22.103000 -1.834000 8 E A 2 "GLU " " N " 7 0 1 1 75.3 125 + 126 3 -6.636000 -20.972000 -2.483000 8 E A 2 "GLU " " CA " 6 0 1 1 76.06 126 + 127 2 -7.870000 -20.451000 -1.723000 8 E A 2 "GLU " " C " 6 0 1 1 71 127 + 128 15 -8.106000 -19.243000 -1.744000 8 E A 2 "GLU " " O " 8 0 1 1 65.09 128 + 129 3 -6.975000 -21.353000 -3.936000 8 E A 2 "GLU " " CB " 6 0 1 1 70.6 129 + 130 3 -5.717000 -21.455000 -4.825000 8 E A 2 "GLU " " CG " 6 0 1 1 87.03 130 + 131 2 -5.987000 -21.940000 -6.252000 8 E A 2 "GLU " " CD " 6 0 1 1 97.98 131 + 132 15 -5.002000 -21.957000 -7.024000 8 E A 2 "GLU " " OE1" 8 0 1 1 99.57 132 + 133 18 -7.151000 -22.280000 -6.557000 8 E A 2 "GLU " " OE2" 8 -1 1 1 106.47 133 + 134 43 -6.064000 -22.995000 -2.303000 8 E A 2 "GLU " " H " 1 0 1 1 75.3 134 + 135 41 -5.927000 -20.145000 -2.507000 8 E A 2 "GLU " " HA " 1 0 1 1 76.06 135 + 136 41 -7.657000 -20.618000 -4.366000 8 E A 2 "GLU " " HB3" 1 0 1 1 70.6 136 + 137 41 -7.511000 -22.303000 -3.943000 8 E A 2 "GLU " " HB2" 1 0 1 1 70.6 137 + 138 41 -4.983000 -22.122000 -4.376000 8 E A 2 "GLU " " HG3" 1 0 1 1 87.03 138 + 139 41 -5.238000 -20.478000 -4.889000 8 E A 2 "GLU " " HG2" 1 0 1 1 87.03 139 + 140 25 -8.606000 -21.342000 -1.035000 9 K A 2 "LYS " " N " 7 0 1 1 68.47 140 + 141 3 -9.771000 -20.989000 -0.217000 9 K A 2 "LYS " " CA " 6 0 1 1 70.94 141 + 142 2 -9.444000 -20.285000 1.117000 9 K A 2 "LYS " " C " 6 0 1 1 72.76 142 + 143 15 -10.367000 -19.742000 1.724000 9 K A 2 "LYS " " O " 8 0 1 1 79.04 143 + 144 3 -10.676000 -22.221000 -0.021000 9 K A 2 "LYS " " CB " 6 0 1 1 73.73 144 + 145 3 -11.473000 -22.587000 -1.282000 9 K A 2 "LYS " " CG " 6 0 1 1 78.8 145 + 146 3 -12.498000 -23.697000 -1.023000 9 K A 2 "LYS " " CD " 6 0 1 1 89.64 146 + 147 3 -13.279000 -24.077000 -2.289000 9 K A 2 "LYS " " CE " 6 0 1 1 95.93 147 + 148 32 -14.568000 -24.701000 -1.949000 9 K A 2 "LYS " " NZ " 7 1 1 1 97.85 148 + 149 43 -8.352000 -22.320000 -1.054000 9 K A 2 "LYS " " H " 1 0 1 1 68.47 149 + 150 41 -10.344000 -20.263000 -0.792000 9 K A 2 "LYS " " HA " 1 0 1 1 70.94 150 + 151 41 -11.405000 -22.008000 0.763000 9 K A 2 "LYS " " HB3" 1 0 1 1 73.73 151 + 152 41 -10.095000 -23.076000 0.322000 9 K A 2 "LYS " " HB2" 1 0 1 1 73.73 152 + 153 41 -10.800000 -22.881000 -2.085000 9 K A 2 "LYS " " HG3" 1 0 1 1 78.8 153 + 154 41 -12.000000 -21.702000 -1.642000 9 K A 2 "LYS " " HG2" 1 0 1 1 78.8 154 + 155 41 -13.185000 -23.366000 -0.242000 9 K A 2 "LYS " " HD3" 1 0 1 1 89.64 155 + 156 41 -11.992000 -24.579000 -0.628000 9 K A 2 "LYS " " HD2" 1 0 1 1 89.64 156 + 157 41 -12.692000 -24.746000 -2.918000 9 K A 2 "LYS " " HE3" 1 0 1 1 95.93 157 + 158 41 -13.490000 -23.191000 -2.887000 9 K A 2 "LYS " " HE2" 1 0 1 1 95.93 158 + 159 44 -15.109000 -24.038000 -1.402000 9 K A 2 "LYS " " HZ1" 1 0 1 1 97.85 159 + 160 44 -15.074000 -24.920000 -2.795000 9 K A 2 "LYS " " HZ2" 1 0 1 1 97.85 160 + 161 44 -14.419000 -25.539000 -1.408000 9 K A 2 "LYS " " HZ3" 1 0 1 1 97.85 161 + 162 25 -8.161000 -20.239000 1.524000 10 T A 2 "THR " " N " 7 0 0 1 70.32 162 + 163 3 -7.697000 -19.434000 2.665000 10 T A 2 "THR " " CA " 6 0 0 1 70.62 163 + 164 2 -7.672000 -17.911000 2.379000 10 T A 2 "THR " " C " 6 0 0 1 75.34 164 + 165 15 -7.544000 -17.135000 3.325000 10 T A 2 "THR " " O " 8 0 0 1 78.94 165 + 166 3 -6.283000 -19.857000 3.157000 10 T A 2 "THR " " CB " 6 0 0 1 68.44 166 + 167 16 -5.232000 -19.432000 2.306000 10 T A 2 "THR " " OG1" 8 0 0 1 62.83 167 + 168 3 -6.144000 -21.360000 3.430000 10 T A 2 "THR " " CG2" 6 0 0 1 61.76 168 + 169 43 -7.448000 -20.709000 0.986000 10 T A 2 "THR " " H " 1 0 0 1 70.32 169 + 170 41 -8.393000 -19.601000 3.487000 10 T A 2 "THR " " HA " 1 0 0 1 70.62 170 + 171 41 -6.106000 -19.356000 4.110000 10 T A 2 "THR " " HB " 1 0 0 1 68.44 171 + 172 42 -5.236000 -19.975000 1.510000 10 T A 2 "THR " " HG1" 1 0 0 1 62.83 172 + 173 41 -5.166000 -21.588000 3.855000 10 T A 2 "THR " "HG21" 1 0 0 1 61.76 173 + 174 41 -6.898000 -21.701000 4.141000 10 T A 2 "THR " "HG22" 1 0 0 1 61.76 174 + 175 41 -6.250000 -21.948000 2.520000 10 T A 2 "THR " "HG23" 1 0 0 1 61.76 175 + 176 25 -7.801000 -17.516000 1.099000 11 V A 2 "VAL " " N " 7 0 0 1 80.09 176 + 177 3 -7.806000 -16.127000 0.632000 11 V A 2 "VAL " " CA " 6 0 0 1 80.74 177 + 178 2 -9.205000 -15.696000 0.126000 11 V A 2 "VAL " " C " 6 0 0 1 87.77 178 + 179 15 -9.426000 -14.498000 -0.058000 11 V A 2 "VAL " " O " 8 0 0 1 95.85 179 + 180 3 -6.734000 -15.944000 -0.490000 11 V A 2 "VAL " " CB " 6 0 0 1 72.67 180 + 181 3 -6.713000 -14.568000 -1.190000 11 V A 2 "VAL " " CG1" 6 0 0 1 91.4 181 + 182 3 -5.324000 -16.244000 0.056000 11 V A 2 "VAL " " CG2" 6 0 0 1 52.21 182 + 183 43 -7.882000 -18.220000 0.379000 11 V A 2 "VAL " " H " 1 0 0 1 80.09 183 + 184 41 -7.555000 -15.454000 1.454000 11 V A 2 "VAL " " HA " 1 0 0 1 80.74 184 + 185 41 -6.930000 -16.684000 -1.268000 11 V A 2 "VAL " " HB " 1 0 0 1 72.67 185 + 186 41 -5.847000 -14.472000 -1.845000 11 V A 2 "VAL " "HG11" 1 0 0 1 91.4 186 + 187 41 -7.587000 -14.417000 -1.822000 11 V A 2 "VAL " "HG12" 1 0 0 1 91.4 187 + 188 41 -6.669000 -13.755000 -0.465000 11 V A 2 "VAL " "HG13" 1 0 0 1 91.4 188 + 189 41 -4.557000 -16.086000 -0.703000 11 V A 2 "VAL " "HG21" 1 0 0 1 52.21 189 + 190 41 -5.084000 -15.602000 0.904000 11 V A 2 "VAL " "HG22" 1 0 0 1 52.21 190 + 191 41 -5.230000 -17.279000 0.386000 11 V A 2 "VAL " "HG23" 1 0 0 1 52.21 191 + 192 25 -10.138000 -16.656000 -0.045000 12 S A 2 "SER " " N " 7 0 0 1 87.46 192 + 193 3 -11.519000 -16.451000 -0.502000 12 S A 2 "SER " " CA " 6 0 0 1 87.96 193 + 194 2 -12.276000 -15.378000 0.321000 12 S A 2 "SER " " C " 6 0 0 1 95.36 194 + 195 15 -12.190000 -15.412000 1.551000 12 S A 2 "SER " " O " 8 0 0 1 92.47 195 + 196 3 -12.258000 -17.802000 -0.420000 12 S A 2 "SER " " CB " 6 0 0 1 87.19 196 + 197 16 -13.591000 -17.696000 -0.883000 12 S A 2 "SER " " OG " 8 0 0 1 80.58 197 + 198 43 -9.890000 -17.611000 0.169000 12 S A 2 "SER " " H " 1 0 0 1 87.46 198 + 199 41 -11.432000 -16.167000 -1.549000 12 S A 2 "SER " " HA " 1 0 0 1 87.96 199 + 200 41 -12.272000 -18.176000 0.604000 12 S A 2 "SER " " HB3" 1 0 0 1 87.19 200 + 201 41 -11.751000 -18.546000 -1.032000 12 S A 2 "SER " " HB2" 1 0 0 1 87.19 201 + 202 42 -14.002000 -18.564000 -0.837000 12 S A 2 "SER " " HG " 1 0 0 1 80.58 202 + 203 25 -12.989000 -14.446000 -0.360000 13 P A 2 "PRO " " N " 7 0 0 1 103.13 203 + 204 3 -13.732000 -13.369000 0.318000 13 P A 2 "PRO " " CA " 6 0 0 1 106.23 204 + 205 2 -14.969000 -13.850000 1.098000 13 P A 2 "PRO " " C " 6 0 0 1 110.3 205 + 206 15 -15.343000 -13.194000 2.071000 13 P A 2 "PRO " " O " 8 0 0 1 108.86 206 + 207 3 -14.119000 -12.422000 -0.828000 13 P A 2 "PRO " " CB " 6 0 0 1 103.2 207 + 208 3 -14.261000 -13.334000 -2.035000 13 P A 2 "PRO " " CG " 6 0 0 1 101.57 208 + 209 3 -13.161000 -14.366000 -1.814000 13 P A 2 "PRO " " CD " 6 0 0 1 101.83 209 + 210 41 -13.077000 -12.845000 1.017000 13 P A 2 "PRO " " HA " 1 0 0 1 106.23 210 + 211 41 -13.307000 -11.713000 -0.997000 13 P A 2 "PRO " " HB3" 1 0 0 1 103.2 211 + 212 41 -15.022000 -11.841000 -0.635000 13 P A 2 "PRO " " HB2" 1 0 0 1 103.2 212 + 213 41 -14.176000 -12.810000 -2.987000 13 P A 2 "PRO " " HG3" 1 0 0 1 101.57 213 + 214 41 -15.235000 -13.825000 -2.010000 13 P A 2 "PRO " " HG2" 1 0 0 1 101.57 214 + 215 41 -13.432000 -15.321000 -2.267000 13 P A 2 "PRO " " HD2" 1 0 0 1 101.83 215 + 216 41 -12.225000 -14.024000 -2.258000 13 P A 2 "PRO " " HD3" 1 0 0 1 101.83 216 + 217 25 -15.556000 -14.988000 0.680000 14 D A 2 "ASP " " N " 7 0 0 1 109.07 217 + 218 3 -16.619000 -15.690000 1.395000 14 D A 2 "ASP " " CA " 6 0 0 1 109.41 218 + 219 2 -16.043000 -16.207000 2.720000 14 D A 2 "ASP " " C " 6 0 0 1 109.3 219 + 220 15 -15.023000 -16.897000 2.727000 14 D A 2 "ASP " " O " 8 0 0 1 108.92 220 + 221 3 -17.230000 -16.817000 0.528000 14 D A 2 "ASP " " CB " 6 0 0 1 114.3 221 + 222 2 -18.487000 -17.514000 1.082000 14 D A 2 "ASP " " CG " 6 0 0 1 120.18 222 + 223 15 -18.678000 -17.548000 2.317000 14 D A 2 "ASP " " OD1" 8 0 0 1 123.34 223 + 224 18 -19.224000 -18.069000 0.239000 14 D A 2 "ASP " " OD2" 8 -1 0 1 122.7 224 + 225 43 -15.179000 -15.470000 -0.124000 14 D A 2 "ASP " " H " 1 0 0 1 109.07 225 + 226 41 -17.408000 -14.963000 1.605000 14 D A 2 "ASP " " HA " 1 0 0 1 109.41 226 + 227 41 -16.473000 -17.572000 0.337000 14 D A 2 "ASP " " HB3" 1 0 0 1 114.3 227 + 228 41 -17.498000 -16.382000 -0.436000 14 D A 2 "ASP " " HB2" 1 0 0 1 114.3 228 + 229 25 -16.714000 -15.823000 3.813000 15 R A 2 "ARG " " N " 7 0 1 1 110.58 229 + 230 3 -16.292000 -16.124000 5.171000 15 R A 2 "ARG " " CA " 6 0 1 1 111.59 230 + 231 2 -16.351000 -17.635000 5.470000 15 R A 2 "ARG " " C " 6 0 1 1 110.99 231 + 232 15 -15.411000 -18.123000 6.089000 15 R A 2 "ARG " " O " 8 0 1 1 110.47 232 + 233 3 -17.095000 -15.235000 6.144000 15 R A 2 "ARG " " CB " 6 0 1 1 116.14 233 + 234 3 -16.393000 -14.940000 7.484000 15 R A 2 "ARG " " CG " 6 0 1 1 120.88 234 + 235 3 -16.627000 -15.966000 8.599000 15 R A 2 "ARG " " CD " 6 0 1 1 129.5 235 + 236 25 -18.018000 -15.931000 9.068000 15 R A 2 "ARG " " NE " 7 0 1 1 139.34 236 + 237 2 -18.517000 -16.656000 10.081000 15 R A 2 "ARG " " CZ " 6 0 1 1 142.7 237 + 238 25 -17.735000 -17.464000 10.809000 15 R A 2 "ARG " " NH1" 7 0 1 1 147.01 238 + 239 31 -19.822000 -16.568000 10.366000 15 R A 2 "ARG " " NH2" 7 1 1 1 142.84 239 + 240 43 -17.553000 -15.271000 3.713000 15 R A 2 "ARG " " H " 1 0 1 1 110.58 240 + 241 41 -15.243000 -15.828000 5.246000 15 R A 2 "ARG " " HA " 1 0 1 1 111.59 241 + 242 41 -18.106000 -15.619000 6.292000 15 R A 2 "ARG " " HB3" 1 0 1 1 116.14 242 + 243 41 -17.224000 -14.264000 5.662000 15 R A 2 "ARG " " HB2" 1 0 1 1 116.14 243 + 244 41 -16.859000 -14.020000 7.842000 15 R A 2 "ARG " " HG3" 1 0 1 1 120.88 244 + 245 41 -15.338000 -14.687000 7.370000 15 R A 2 "ARG " " HG2" 1 0 1 1 120.88 245 + 246 41 -15.893000 -15.861000 9.399000 15 R A 2 "ARG " " HD3" 1 0 1 1 129.5 246 + 247 41 -16.510000 -16.972000 8.202000 15 R A 2 "ARG " " HD2" 1 0 1 1 129.5 247 + 248 43 -18.645000 -15.340000 8.542000 15 R A 2 "ARG " " HE " 1 0 1 1 139.34 248 + 249 43 -18.112000 -18.015000 11.567000 15 R A 2 "ARG " "HH12" 1 0 1 1 147.01 249 + 250 43 -16.751000 -17.556000 10.587000 15 R A 2 "ARG " "HH11" 1 0 1 1 147.01 250 + 251 44 -20.217000 -17.106000 11.123000 15 R A 2 "ARG " "HH22" 1 0 1 1 142.84 251 + 252 44 -20.424000 -15.964000 9.825000 15 R A 2 "ARG " "HH21" 1 0 1 1 142.84 252 + 253 25 -17.371000 -18.347000 4.943000 16 L A 2 "LEU " " N " 7 0 1 1 111.28 253 + 254 3 -17.542000 -19.806000 5.044000 16 L A 2 "LEU " " CA " 6 0 1 1 107.23 254 + 255 2 -16.407000 -20.606000 4.387000 16 L A 2 "LEU " " C " 6 0 1 1 104.09 255 + 256 15 -15.939000 -21.574000 4.986000 16 L A 2 "LEU " " O " 8 0 1 1 107.19 256 + 257 3 -18.877000 -20.254000 4.402000 16 L A 2 "LEU " " CB " 6 0 1 1 106.32 257 + 258 3 -20.162000 -19.679000 5.030000 16 L A 2 "LEU " " CG " 6 0 1 1 99.81 258 + 259 3 -21.401000 -20.148000 4.235000 16 L A 2 "LEU " " CD1" 6 0 1 1 96.96 259 + 260 3 -20.281000 -19.998000 6.534000 16 L A 2 "LEU " " CD2" 6 0 1 1 90.05 260 + 261 43 -18.048000 -17.873000 4.358000 16 L A 2 "LEU " " H " 1 0 1 1 111.28 261 + 262 41 -17.550000 -20.063000 6.104000 16 L A 2 "LEU " " HA " 1 0 1 1 107.23 262 + 263 41 -18.942000 -21.343000 4.441000 16 L A 2 "LEU " " HB3" 1 0 1 1 106.32 263 + 264 41 -18.861000 -20.001000 3.341000 16 L A 2 "LEU " " HB2" 1 0 1 1 106.32 264 + 265 41 -20.119000 -18.594000 4.928000 16 L A 2 "LEU " " HG " 1 0 1 1 99.81 265 + 266 41 -22.010000 -19.296000 3.934000 16 L A 2 "LEU " "HD11" 1 0 1 1 96.96 266 + 267 41 -21.127000 -20.680000 3.323000 16 L A 2 "LEU " "HD12" 1 0 1 1 96.96 267 + 268 41 -22.040000 -20.819000 4.810000 16 L A 2 "LEU " "HD13" 1 0 1 1 96.96 268 + 269 41 -21.301000 -20.243000 6.831000 16 L A 2 "LEU " "HD21" 1 0 1 1 90.05 269 + 270 41 -19.652000 -20.840000 6.824000 16 L A 2 "LEU " "HD22" 1 0 1 1 90.05 270 + 271 41 -19.974000 -19.141000 7.133000 16 L A 2 "LEU " "HD23" 1 0 1 1 90.05 271 + 272 25 -15.981000 -20.184000 3.181000 17 E A 2 "GLU " " N " 7 0 1 1 99.05 272 + 273 3 -14.846000 -20.754000 2.444000 17 E A 2 "GLU " " CA " 6 0 1 1 96.85 273 + 274 2 -13.542000 -20.678000 3.250000 17 E A 2 "GLU " " C " 6 0 1 1 93.04 274 + 275 15 -12.801000 -21.660000 3.295000 17 E A 2 "GLU " " O " 8 0 1 1 92.36 275 + 276 3 -14.675000 -20.009000 1.104000 17 E A 2 "GLU " " CB " 6 0 1 1 100.62 276 + 277 3 -15.784000 -20.253000 0.063000 17 E A 2 "GLU " " CG " 6 0 1 1 111.31 277 + 278 2 -15.602000 -21.569000 -0.686000 17 E A 2 "GLU " " CD " 6 0 1 1 117.58 278 + 279 15 -15.891000 -22.632000 -0.097000 17 E A 2 "GLU " " OE1" 8 0 1 1 123.45 279 + 280 18 -15.144000 -21.494000 -1.847000 17 E A 2 "GLU " " OE2" 8 -1 1 1 118.94 280 + 281 43 -16.431000 -19.386000 2.753000 17 E A 2 "GLU " " H " 1 0 1 1 99.05 281 + 282 41 -15.054000 -21.808000 2.257000 17 E A 2 "GLU " " HA " 1 0 1 1 96.85 282 + 283 41 -13.710000 -20.269000 0.662000 17 E A 2 "GLU " " HB3" 1 0 1 1 100.62 283 + 284 41 -14.616000 -18.941000 1.301000 17 E A 2 "GLU " " HB2" 1 0 1 1 100.62 284 + 285 41 -15.773000 -19.453000 -0.677000 17 E A 2 "GLU " " HG3" 1 0 1 1 111.31 285 + 286 41 -16.772000 -20.225000 0.523000 17 E A 2 "GLU " " HG2" 1 0 1 1 111.31 286 + 287 25 -13.338000 -19.525000 3.911000 18 L A 2 "LEU " " N " 7 0 1 1 92.21 287 + 288 3 -12.244000 -19.264000 4.837000 18 L A 2 "LEU " " CA " 6 0 1 1 87.65 288 + 289 2 -12.271000 -20.209000 6.055000 18 L A 2 "LEU " " C " 6 0 1 1 91.43 289 + 290 15 -11.223000 -20.783000 6.340000 18 L A 2 "LEU " " O " 8 0 1 1 99.77 290 + 291 3 -12.241000 -17.767000 5.237000 18 L A 2 "LEU " " CB " 6 0 1 1 79.24 291 + 292 3 -10.887000 -17.059000 5.006000 18 L A 2 "LEU " " CG " 6 0 1 1 83.7 292 + 293 3 -11.009000 -15.540000 5.246000 18 L A 2 "LEU " " CD1" 6 0 1 1 93.24 293 + 294 3 -9.746000 -17.683000 5.834000 18 L A 2 "LEU " " CD2" 6 0 1 1 88.99 294 + 295 43 -14.010000 -18.777000 3.805000 18 L A 2 "LEU " " H " 1 0 1 1 92.21 295 + 296 41 -11.329000 -19.478000 4.281000 18 L A 2 "LEU " " HA " 1 0 1 1 87.65 296 + 297 41 -12.554000 -17.638000 6.275000 18 L A 2 "LEU " " HB3" 1 0 1 1 79.24 297 + 298 41 -12.994000 -17.237000 4.651000 18 L A 2 "LEU " " HB2" 1 0 1 1 79.24 298 + 299 41 -10.631000 -17.187000 3.953000 18 L A 2 "LEU " " HG " 1 0 1 1 83.7 299 + 300 41 -10.691000 -14.986000 4.362000 18 L A 2 "LEU " "HD11" 1 0 1 1 93.24 300 + 301 41 -12.035000 -15.239000 5.460000 18 L A 2 "LEU " "HD12" 1 0 1 1 93.24 301 + 302 41 -10.400000 -15.196000 6.082000 18 L A 2 "LEU " "HD13" 1 0 1 1 93.24 302 + 303 41 -9.017000 -16.944000 6.167000 18 L A 2 "LEU " "HD21" 1 0 1 1 88.99 303 + 304 41 -10.120000 -18.190000 6.724000 18 L A 2 "LEU " "HD22" 1 0 1 1 88.99 304 + 305 41 -9.198000 -18.422000 5.252000 18 L A 2 "LEU " "HD23" 1 0 1 1 88.99 305 + 306 25 -13.448000 -20.412000 6.695000 19 E A 2 "GLU " " N " 7 0 1 1 96.95 306 + 307 3 -13.648000 -21.342000 7.826000 19 E A 2 "GLU " " CA " 6 0 1 1 102.69 307 + 308 2 -13.196000 -22.775000 7.499000 19 E A 2 "GLU " " C " 6 0 1 1 97.54 308 + 309 15 -12.355000 -23.324000 8.211000 19 E A 2 "GLU " " O " 8 0 1 1 95.44 309 + 310 3 -15.130000 -21.433000 8.293000 19 E A 2 "GLU " " CB " 6 0 1 1 116.82 310 + 311 3 -15.861000 -20.156000 8.728000 19 E A 2 "GLU " " CG " 6 0 1 1 131.07 311 + 312 2 -15.214000 -19.426000 9.897000 19 E A 2 "GLU " " CD " 6 0 1 1 137.82 312 + 313 15 -15.452000 -19.871000 11.040000 19 E A 2 "GLU " " OE1" 8 0 1 1 142.51 313 + 314 18 -14.547000 -18.402000 9.637000 19 E A 2 "GLU " " OE2" 8 -1 1 1 136.62 314 + 315 43 -14.265000 -19.897000 6.395000 19 E A 2 "GLU " " H " 1 0 1 1 96.95 315 + 316 41 -13.041000 -20.977000 8.657000 19 E A 2 "GLU " " HA " 1 0 1 1 102.69 316 + 317 41 -15.185000 -22.137000 9.125000 19 E A 2 "GLU " " HB3" 1 0 1 1 116.82 317 + 318 41 -15.739000 -21.889000 7.513000 19 E A 2 "GLU " " HB2" 1 0 1 1 116.82 318 + 319 41 -16.878000 -20.417000 9.021000 19 E A 2 "GLU " " HG3" 1 0 1 1 131.07 319 + 320 41 -15.976000 -19.478000 7.897000 19 E A 2 "GLU " " HG2" 1 0 1 1 131.07 320 + 321 25 -13.788000 -23.336000 6.428000 20 A A 2 "ALA " " N " 7 0 1 1 91.82 321 + 322 3 -13.598000 -24.709000 5.965000 20 A A 2 "ALA " " CA " 6 0 1 1 90.32 322 + 323 2 -12.142000 -25.020000 5.610000 20 A A 2 "ALA " " C " 6 0 1 1 95.09 323 + 324 15 -11.620000 -26.041000 6.057000 20 A A 2 "ALA " " O " 8 0 1 1 104.53 324 + 325 3 -14.516000 -24.966000 4.760000 20 A A 2 "ALA " " CB " 6 0 1 1 81.86 325 + 326 43 -14.456000 -22.787000 5.904000 20 A A 2 "ALA " " H " 1 0 1 1 91.82 326 + 327 41 -13.898000 -25.376000 6.776000 20 A A 2 "ALA " " HA " 1 0 1 1 90.32 327 + 328 41 -14.404000 -25.985000 4.387000 20 A A 2 "ALA " " HB1" 1 0 1 1 81.86 328 + 329 41 -15.563000 -24.833000 5.033000 20 A A 2 "ALA " " HB2" 1 0 1 1 81.86 329 + 330 41 -14.302000 -24.283000 3.937000 20 A A 2 "ALA " " HB3" 1 0 1 1 81.86 330 + 331 25 -11.514000 -24.104000 4.854000 21 A A 2 "ALA " " N " 7 0 1 1 94.46 331 + 332 3 -10.114000 -24.185000 4.468000 21 A A 2 "ALA " " CA " 6 0 1 1 92.27 332 + 333 2 -9.149000 -24.148000 5.656000 21 A A 2 "ALA " " C " 6 0 1 1 90.41 333 + 334 15 -8.172000 -24.894000 5.647000 21 A A 2 "ALA " " O " 8 0 1 1 88.18 334 + 335 3 -9.791000 -23.058000 3.479000 21 A A 2 "ALA " " CB " 6 0 1 1 89.32 335 + 336 43 -12.018000 -23.285000 4.539000 21 A A 2 "ALA " " H " 1 0 1 1 94.46 336 + 337 41 -9.998000 -25.149000 3.977000 21 A A 2 "ALA " " HA " 1 0 1 1 92.27 337 + 338 41 -8.753000 -23.099000 3.151000 21 A A 2 "ALA " " HB1" 1 0 1 1 89.32 338 + 339 41 -10.421000 -23.141000 2.597000 21 A A 2 "ALA " " HB2" 1 0 1 1 89.32 339 + 340 41 -9.961000 -22.073000 3.917000 21 A A 2 "ALA " " HB3" 1 0 1 1 89.32 340 + 341 25 -9.457000 -23.314000 6.663000 22 Q A 2 "GLN " " N " 7 0 1 1 89.88 341 + 342 3 -8.626000 -23.157000 7.850000 22 Q A 2 "GLN " " CA " 6 0 1 1 95.13 342 + 343 2 -8.691000 -24.395000 8.758000 22 Q A 2 "GLN " " C " 6 0 1 1 92.78 343 + 344 15 -7.630000 -24.887000 9.129000 22 Q A 2 "GLN " " O " 8 0 1 1 93.82 344 + 345 3 -9.004000 -21.859000 8.602000 22 Q A 2 "GLN " " CB " 6 0 1 1 104.48 345 + 346 3 -7.806000 -21.175000 9.284000 22 Q A 2 "GLN " " CG " 6 0 1 1 120.42 346 + 347 2 -6.821000 -20.608000 8.254000 22 Q A 2 "GLN " " CD " 6 0 1 1 130.38 347 + 348 15 -7.134000 -19.649000 7.551000 22 Q A 2 "GLN " " OE1" 8 0 1 1 131.72 348 + 349 25 -5.634000 -21.208000 8.151000 22 Q A 2 "GLN " " NE2" 7 0 1 1 129.46 349 + 350 43 -10.280000 -22.729000 6.606000 22 Q A 2 "GLN " " H " 1 0 1 1 89.88 350 + 351 41 -7.598000 -23.081000 7.492000 22 Q A 2 "GLN " " HA " 1 0 1 1 95.13 351 + 352 41 -9.790000 -22.052000 9.334000 22 Q A 2 "GLN " " HB3" 1 0 1 1 104.48 352 + 353 41 -9.429000 -21.135000 7.913000 22 Q A 2 "GLN " " HB2" 1 0 1 1 104.48 353 + 354 41 -7.303000 -21.868000 9.960000 22 Q A 2 "GLN " " HG3" 1 0 1 1 120.42 354 + 355 41 -8.162000 -20.348000 9.899000 22 Q A 2 "GLN " " HG2" 1 0 1 1 120.42 355 + 356 43 -4.953000 -20.876000 7.483000 22 Q A 2 "GLN " "HE22" 1 0 1 1 129.46 356 + 357 43 -5.404000 -21.997000 8.738000 22 Q A 2 "GLN " "HE21" 1 0 1 1 129.46 357 + 358 25 -9.902000 -24.911000 9.047000 23 K A 2 "LYS " " N " 7 0 1 1 87.73 358 + 359 3 -10.102000 -26.129000 9.843000 23 K A 2 "LYS " " CA " 6 0 1 1 85.92 359 + 360 2 -9.558000 -27.415000 9.201000 23 K A 2 "LYS " " C " 6 0 1 1 85.02 360 + 361 15 -9.069000 -28.268000 9.941000 23 K A 2 "LYS " " O " 8 0 1 1 84.68 361 + 362 3 -11.580000 -26.290000 10.261000 23 K A 2 "LYS " " CB " 6 0 1 1 87.24 362 + 363 3 -11.881000 -25.650000 11.626000 23 K A 2 "LYS " " CG " 6 0 1 1 100.39 363 + 364 3 -13.298000 -25.954000 12.131000 23 K A 2 "LYS " " CD " 6 0 1 1 112.69 364 + 365 3 -13.516000 -25.472000 13.571000 23 K A 2 "LYS " " CE " 6 0 1 1 118.39 365 + 366 32 -14.893000 -25.736000 14.021000 23 K A 2 "LYS " " NZ " 7 1 1 1 121.04 366 + 367 43 -10.736000 -24.455000 8.698000 23 K A 2 "LYS " " H " 1 0 1 1 87.73 367 + 368 41 -9.517000 -25.984000 10.753000 23 K A 2 "LYS " " HA " 1 0 1 1 85.92 368 + 369 41 -11.812000 -27.351000 10.365000 23 K A 2 "LYS " " HB3" 1 0 1 1 87.24 369 + 370 41 -12.251000 -25.919000 9.484000 23 K A 2 "LYS " " HB2" 1 0 1 1 87.24 370 + 371 41 -11.736000 -24.570000 11.560000 23 K A 2 "LYS " " HG3" 1 0 1 1 100.39 371 + 372 41 -11.159000 -26.011000 12.360000 23 K A 2 "LYS " " HG2" 1 0 1 1 100.39 372 + 373 41 -13.488000 -27.027000 12.071000 23 K A 2 "LYS " " HD3" 1 0 1 1 112.69 373 + 374 41 -14.022000 -25.476000 11.470000 23 K A 2 "LYS " " HD2" 1 0 1 1 112.69 374 + 375 41 -13.322000 -24.401000 13.647000 23 K A 2 "LYS " " HE3" 1 0 1 1 118.39 375 + 376 41 -12.824000 -25.974000 14.248000 23 K A 2 "LYS " " HE2" 1 0 1 1 118.39 376 + 377 44 -15.543000 -25.244000 13.423000 23 K A 2 "LYS " " HZ1" 1 0 1 1 121.04 377 + 378 44 -15.079000 -26.728000 13.976000 23 K A 2 "LYS " " HZ2" 1 0 1 1 121.04 378 + 379 44 -15.004000 -25.415000 14.973000 23 K A 2 "LYS " " HZ3" 1 0 1 1 121.04 379 + 380 25 -9.620000 -27.525000 7.861000 24 F A 2 "PHE " " N " 7 0 1 1 77.08 380 + 381 3 -9.029000 -28.635000 7.108000 24 F A 2 "PHE " " CA " 6 0 1 1 69.1 381 + 382 2 -7.502000 -28.704000 7.271000 24 F A 2 "PHE " " C " 6 0 1 1 69.17 382 + 383 15 -6.985000 -29.763000 7.622000 24 F A 2 "PHE " " O " 8 0 1 1 69.09 383 + 384 3 -9.455000 -28.577000 5.622000 24 F A 2 "PHE " " CB " 6 0 1 1 71.04 384 + 385 2 -8.814000 -29.625000 4.718000 24 F A 2 "PHE " " CG " 6 0 1 1 69.73 385 + 386 2 -7.532000 -29.410000 4.163000 24 F A 2 "PHE " " CD1" 6 0 1 1 68.12 386 + 387 2 -9.404000 -30.899000 4.580000 24 F A 2 "PHE " " CD2" 6 0 1 1 69.6 387 + 388 2 -6.906000 -30.407000 3.431000 24 F A 2 "PHE " " CE1" 6 0 1 1 66.06 388 + 389 2 -8.760000 -31.888000 3.847000 24 F A 2 "PHE " " CE2" 6 0 1 1 65.86 389 + 390 2 -7.522000 -31.640000 3.267000 24 F A 2 "PHE " " CZ " 6 0 1 1 62.67 390 + 391 43 -10.053000 -26.791000 7.316000 24 F A 2 "PHE " " H " 1 0 1 1 77.08 391 + 392 41 -9.435000 -29.560000 7.523000 24 F A 2 "PHE " " HA " 1 0 1 1 69.1 392 + 393 41 -9.231000 -27.590000 5.216000 24 F A 2 "PHE " " HB3" 1 0 1 1 71.04 393 + 394 41 -10.538000 -28.688000 5.555000 24 F A 2 "PHE " " HB2" 1 0 1 1 71.04 394 + 395 41 -7.015000 -28.479000 4.325000 24 F A 2 "PHE " " HD1" 1 0 1 1 68.12 395 + 396 41 -10.357000 -31.110000 5.043000 24 F A 2 "PHE " " HD2" 1 0 1 1 69.6 396 + 397 41 -5.930000 -30.228000 3.002000 24 F A 2 "PHE " " HE1" 1 0 1 1 66.06 397 + 398 41 -9.221000 -32.858000 3.732000 24 F A 2 "PHE " " HE2" 1 0 1 1 65.86 398 + 399 41 -7.027000 -32.416000 2.701000 24 F A 2 "PHE " " HZ " 1 0 1 1 62.67 399 + 400 25 -6.823000 -27.570000 7.019000 25 L A 2 "LEU " " N " 7 0 1 1 75.12 400 + 401 3 -5.367000 -27.435000 7.120000 25 L A 2 "LEU " " CA " 6 0 1 1 77.29 401 + 402 2 -4.854000 -27.517000 8.568000 25 L A 2 "LEU " " C " 6 0 1 1 75.73 402 + 403 15 -3.718000 -27.942000 8.774000 25 L A 2 "LEU " " O " 8 0 1 1 68.77 403 + 404 3 -4.917000 -26.102000 6.480000 25 L A 2 "LEU " " CB " 6 0 1 1 70.43 404 + 405 3 -5.168000 -25.947000 4.962000 25 L A 2 "LEU " " CG " 6 0 1 1 79.62 405 + 406 3 -4.919000 -24.498000 4.503000 25 L A 2 "LEU " " CD1" 6 0 1 1 75.36 406 + 407 3 -4.406000 -26.953000 4.083000 25 L A 2 "LEU " " CD2" 6 0 1 1 84.73 407 + 408 43 -7.327000 -26.739000 6.738000 25 L A 2 "LEU " " H " 1 0 1 1 75.12 408 + 409 41 -4.914000 -28.268000 6.585000 25 L A 2 "LEU " " HA " 1 0 1 1 77.29 409 + 410 41 -3.853000 -25.950000 6.662000 25 L A 2 "LEU " " HB3" 1 0 1 1 70.43 410 + 411 41 -5.423000 -25.290000 7.007000 25 L A 2 "LEU " " HB2" 1 0 1 1 70.43 411 + 412 41 -6.222000 -26.156000 4.804000 25 L A 2 "LEU " " HG " 1 0 1 1 79.62 412 + 413 41 -5.719000 -24.152000 3.850000 25 L A 2 "LEU " "HD11" 1 0 1 1 75.36 413 + 414 41 -4.884000 -23.803000 5.341000 25 L A 2 "LEU " "HD12" 1 0 1 1 75.36 414 + 415 41 -3.983000 -24.389000 3.957000 25 L A 2 "LEU " "HD13" 1 0 1 1 75.36 415 + 416 41 -4.869000 -27.030000 3.099000 25 L A 2 "LEU " "HD21" 1 0 1 1 84.73 416 + 417 41 -3.369000 -26.651000 3.933000 25 L A 2 "LEU " "HD22" 1 0 1 1 84.73 417 + 418 41 -4.408000 -27.955000 4.504000 25 L A 2 "LEU " "HD23" 1 0 1 1 84.73 418 + 419 25 -5.699000 -27.126000 9.536000 26 E A 2 "GLU " " N " 7 0 1 1 77.08 419 + 420 3 -5.414000 -27.171000 10.966000 26 E A 2 "GLU " " CA " 6 0 1 1 77.45 420 + 421 2 -5.501000 -28.600000 11.530000 26 E A 2 "GLU " " C " 6 0 1 1 74.72 421 + 422 15 -4.623000 -28.976000 12.304000 26 E A 2 "GLU " " O " 8 0 1 1 78.78 422 + 423 3 -6.333000 -26.157000 11.673000 26 E A 2 "GLU " " CB " 6 0 1 1 93.54 423 + 424 3 -6.127000 -25.995000 13.188000 26 E A 2 "GLU " " CG " 6 0 1 1 111.57 424 + 425 2 -7.014000 -24.881000 13.747000 26 E A 2 "GLU " " CD " 6 0 1 1 123.52 425 + 426 15 -6.883000 -23.739000 13.254000 26 E A 2 "GLU " " OE1" 8 0 1 1 122.62 426 + 427 18 -7.815000 -25.192000 14.655000 26 E A 2 "GLU " " OE2" 8 -1 1 1 125.78 427 + 428 43 -6.605000 -26.756000 9.279000 26 E A 2 "GLU " " H " 1 0 1 1 77.08 428 + 429 41 -4.387000 -26.829000 11.110000 26 E A 2 "GLU " " HA " 1 0 1 1 77.45 429 + 430 41 -7.373000 -26.423000 11.484000 26 E A 2 "GLU " " HB3" 1 0 1 1 93.54 430 + 431 41 -6.176000 -25.186000 11.203000 26 E A 2 "GLU " " HB2" 1 0 1 1 93.54 431 + 432 41 -5.087000 -25.749000 13.402000 26 E A 2 "GLU " " HG3" 1 0 1 1 111.57 432 + 433 41 -6.345000 -26.929000 13.708000 26 E A 2 "GLU " " HG2" 1 0 1 1 111.57 433 + 434 25 -6.494000 -29.392000 11.079000 27 R A 2 "ARG " " N " 7 0 1 1 73.16 434 + 435 3 -6.576000 -30.833000 11.345000 27 R A 2 "ARG " " CA " 6 0 1 1 68.68 435 + 436 2 -5.431000 -31.605000 10.674000 27 R A 2 "ARG " " C " 6 0 1 1 62.81 436 + 437 15 -4.852000 -32.460000 11.336000 27 R A 2 "ARG " " O " 8 0 1 1 58.74 437 + 438 3 -7.949000 -31.398000 10.915000 27 R A 2 "ARG " " CB " 6 0 1 1 65.94 438 + 439 3 -9.006000 -31.334000 12.032000 27 R A 2 "ARG " " CG " 6 0 1 1 81.45 439 + 440 3 -10.451000 -31.598000 11.564000 27 R A 2 "ARG " " CD " 6 0 1 1 95.99 440 + 441 25 -10.600000 -32.816000 10.748000 27 R A 2 "ARG " " NE " 7 0 1 1 114.29 441 + 442 2 -10.338000 -34.084000 11.110000 27 R A 2 "ARG " " CZ " 6 0 1 1 124.84 442 + 443 25 -9.966000 -34.396000 12.358000 27 R A 2 "ARG " " NH1" 7 0 1 1 125.12 443 + 444 31 -10.439000 -35.057000 10.196000 27 R A 2 "ARG " " NH2" 7 1 1 1 130.96 444 + 445 43 -7.191000 -29.012000 10.452000 27 R A 2 "ARG " " H " 1 0 1 1 73.16 445 + 446 41 -6.471000 -30.968000 12.424000 27 R A 2 "ARG " " HA " 1 0 1 1 68.68 446 + 447 41 -7.847000 -32.450000 10.640000 27 R A 2 "ARG " " HB3" 1 0 1 1 65.94 447 + 448 41 -8.299000 -30.892000 10.014000 27 R A 2 "ARG " " HB2" 1 0 1 1 65.94 448 + 449 41 -8.998000 -30.296000 12.369000 27 R A 2 "ARG " " HG3" 1 0 1 1 81.45 449 + 450 41 -8.738000 -31.925000 12.908000 27 R A 2 "ARG " " HG2" 1 0 1 1 81.45 450 + 451 41 -10.886000 -30.718000 11.089000 27 R A 2 "ARG " " HD3" 1 0 1 1 95.99 451 + 452 41 -11.061000 -31.796000 12.446000 27 R A 2 "ARG " " HD2" 1 0 1 1 95.99 452 + 453 43 -10.875000 -32.653000 9.790000 27 R A 2 "ARG " " HE " 1 0 1 1 114.29 453 + 454 43 -9.602000 -35.319000 12.570000 27 R A 2 "ARG " "HH12" 1 0 1 1 125.12 454 + 455 43 -9.897000 -33.676000 13.060000 27 R A 2 "ARG " "HH11" 1 0 1 1 125.12 455 + 456 44 -10.137000 -35.992000 10.435000 27 R A 2 "ARG " "HH22" 1 0 1 1 130.96 456 + 457 44 -10.710000 -34.852000 9.246000 27 R A 2 "ARG " "HH21" 1 0 1 1 130.96 457 + 458 25 -5.095000 -31.275000 9.414000 28 A A 2 "ALA " " N " 7 0 1 1 62.95 458 + 459 3 -4.017000 -31.907000 8.645000 28 A A 2 "ALA " " CA " 6 0 1 1 65.47 459 + 460 2 -2.625000 -31.792000 9.296000 28 A A 2 "ALA " " C " 6 0 1 1 74.8 460 + 461 15 -1.862000 -32.753000 9.240000 28 A A 2 "ALA " " O " 8 0 1 1 83.69 461 + 462 3 -4.000000 -31.331000 7.222000 28 A A 2 "ALA " " CB " 6 0 1 1 53.85 462 + 463 43 -5.625000 -30.562000 8.930000 28 A A 2 "ALA " " H " 1 0 1 1 62.95 463 + 464 41 -4.257000 -32.970000 8.571000 28 A A 2 "ALA " " HA " 1 0 1 1 65.47 464 + 465 41 -3.265000 -31.845000 6.601000 28 A A 2 "ALA " " HB1" 1 0 1 1 53.85 465 + 466 41 -4.969000 -31.448000 6.735000 28 A A 2 "ALA " " HB2" 1 0 1 1 53.85 466 + 467 41 -3.750000 -30.271000 7.220000 28 A A 2 "ALA " " HB3" 1 0 1 1 53.85 467 + 468 25 -2.344000 -30.648000 9.943000 29 A A 2 "ALA " " N " 7 0 0 1 75.08 468 + 469 3 -1.114000 -30.389000 10.697000 29 A A 2 "ALA " " CA " 6 0 0 1 68.99 469 + 470 2 -1.042000 -31.087000 12.070000 29 A A 2 "ALA " " C " 6 0 0 1 72.19 470 + 471 15 0.027000 -31.078000 12.679000 29 A A 2 "ALA " " O " 8 0 0 1 71.99 471 + 472 3 -0.979000 -28.870000 10.885000 29 A A 2 "ALA " " CB " 6 0 0 1 71.57 472 + 473 43 -3.025000 -29.901000 9.938000 29 A A 2 "ALA " " H " 1 0 0 1 75.08 473 + 474 41 -0.267000 -30.742000 10.108000 29 A A 2 "ALA " " HA " 1 0 0 1 68.99 474 + 475 41 -0.037000 -28.609000 11.370000 29 A A 2 "ALA " " HB1" 1 0 0 1 71.57 475 + 476 41 -1.005000 -28.350000 9.930000 29 A A 2 "ALA " " HB2" 1 0 0 1 71.57 476 + 477 41 -1.790000 -28.470000 11.495000 29 A A 2 "ALA " " HB3" 1 0 0 1 71.57 477 + 478 25 -2.167000 -31.639000 12.548000 30 V A 2 "VAL " " N " 7 0 0 1 70.08 478 + 479 3 -2.327000 -32.225000 13.883000 30 V A 2 "VAL " " CA " 6 0 0 1 71.69 479 + 480 2 -2.702000 -33.730000 13.799000 30 V A 2 "VAL " " C " 6 0 0 1 74.84 480 + 481 15 -2.873000 -34.374000 14.832000 30 V A 2 "VAL " " O " 8 0 0 1 87.65 481 + 482 3 -3.397000 -31.399000 14.677000 30 V A 2 "VAL " " CB " 6 0 0 1 70.09 482 + 483 3 -3.823000 -31.955000 16.053000 30 V A 2 "VAL " " CG1" 6 0 0 1 82.85 483 + 484 3 -2.927000 -29.944000 14.881000 30 V A 2 "VAL " " CG2" 6 0 0 1 88.34 484 + 485 43 -3.008000 -31.600000 11.988000 30 V A 2 "VAL " " H " 1 0 0 1 70.08 485 + 486 41 -1.386000 -32.180000 14.433000 30 V A 2 "VAL " " HA " 1 0 0 1 71.69 486 + 487 41 -4.298000 -31.352000 14.064000 30 V A 2 "VAL " " HB " 1 0 0 1 70.09 487 + 488 41 -4.400000 -31.219000 16.614000 30 V A 2 "VAL " "HG11" 1 0 0 1 82.85 488 + 489 41 -4.468000 -32.828000 15.958000 30 V A 2 "VAL " "HG12" 1 0 0 1 82.85 489 + 490 41 -2.960000 -32.227000 16.660000 30 V A 2 "VAL " "HG13" 1 0 0 1 82.85 490 + 491 41 -3.702000 -29.341000 15.354000 30 V A 2 "VAL " "HG21" 1 0 0 1 88.34 491 + 492 41 -2.042000 -29.904000 15.516000 30 V A 2 "VAL " "HG22" 1 0 0 1 88.34 492 + 493 41 -2.675000 -29.451000 13.944000 30 V A 2 "VAL " "HG23" 1 0 0 1 88.34 493 + 494 25 -2.793000 -34.286000 12.577000 31 E A 2 "GLU " " N " 7 0 0 1 74.94 494 + 495 3 -3.342000 -35.622000 12.326000 31 E A 2 "GLU " " CA " 6 0 0 1 65.48 495 + 496 2 -2.639000 -36.352000 11.165000 31 E A 2 "GLU " " C " 6 0 0 1 65.55 496 + 497 15 -2.809000 -37.564000 11.034000 31 E A 2 "GLU " " O " 8 0 0 1 75.25 497 + 498 3 -4.856000 -35.443000 12.087000 31 E A 2 "GLU " " CB " 6 0 0 1 64.57 498 + 499 3 -5.714000 -36.714000 12.118000 31 E A 2 "GLU " " CG " 6 0 0 1 76.74 499 + 500 2 -7.189000 -36.337000 11.993000 31 E A 2 "GLU " " CD " 6 0 0 1 90.46 500 + 501 15 -7.612000 -36.046000 10.853000 31 E A 2 "GLU " " OE1" 8 0 0 1 89.36 501 + 502 18 -7.869000 -36.311000 13.043000 31 E A 2 "GLU " " OE2" 8 -1 0 1 99.7 502 + 503 43 -2.641000 -33.706000 11.765000 31 E A 2 "GLU " " H " 1 0 0 1 74.94 503 + 504 41 -3.198000 -36.247000 13.209000 31 E A 2 "GLU " " HA " 1 0 0 1 65.48 504 + 505 41 -4.998000 -34.971000 11.114000 31 E A 2 "GLU " " HB3" 1 0 0 1 64.57 505 + 506 41 -5.257000 -34.742000 12.822000 31 E A 2 "GLU " " HB2" 1 0 0 1 64.57 506 + 507 41 -5.554000 -37.259000 13.049000 31 E A 2 "GLU " " HG3" 1 0 0 1 76.74 507 + 508 41 -5.451000 -37.387000 11.302000 31 E A 2 "GLU " " HG2" 1 0 0 1 76.74 508 + 509 25 -1.859000 -35.624000 10.349000 32 N A 2 "ASN " " N " 7 0 0 1 62.6 509 + 510 3 -1.166000 -36.160000 9.179000 32 N A 2 "ASN " " CA " 6 0 0 1 58.48 510 + 511 2 0.070000 -35.297000 8.856000 32 N A 2 "ASN " " C " 6 0 0 1 58.36 511 + 512 15 0.381000 -35.113000 7.682000 32 N A 2 "ASN " " O " 8 0 0 1 53.48 512 + 513 3 -2.159000 -36.256000 7.983000 32 N A 2 "ASN " " CB " 6 0 0 1 49.32 513 + 514 2 -1.813000 -37.313000 6.927000 32 N A 2 "ASN " " CG " 6 0 0 1 65.14 514 + 515 15 -1.070000 -38.259000 7.180000 32 N A 2 "ASN " " OD1" 8 0 0 1 70.58 515 + 516 25 -2.365000 -37.155000 5.722000 32 N A 2 "ASN " " ND2" 7 0 0 1 58.82 516 + 517 43 -1.766000 -34.629000 10.492000 32 N A 2 "ASN " " H " 1 0 0 1 62.6 517 + 518 41 -0.736000 -37.137000 9.405000 32 N A 2 "ASN " " HA " 1 0 0 1 58.48 518 + 519 41 -2.310000 -35.278000 7.523000 32 N A 2 "ASN " " HB3" 1 0 0 1 49.32 519 + 520 41 -3.139000 -36.558000 8.354000 32 N A 2 "ASN " " HB2" 1 0 0 1 49.32 520 + 521 43 -2.178000 -37.822000 4.988000 32 N A 2 "ASN " "HD22" 1 0 0 1 58.82 521 + 522 43 -2.972000 -36.371000 5.533000 32 N A 2 "ASN " "HD21" 1 0 0 1 58.82 522 + 523 25 0.735000 -34.758000 9.897000 33 L A 2 "LEU " " N " 7 0 1 1 53.56 523 + 524 3 1.786000 -33.739000 9.792000 33 L A 2 "LEU " " CA " 6 0 1 1 52.62 524 + 525 2 2.983000 -34.054000 8.866000 33 L A 2 "LEU " " C " 6 0 1 1 45.19 525 + 526 15 3.337000 -33.158000 8.101000 33 L A 2 "LEU " " O " 8 0 1 1 50.18 526 + 527 3 2.236000 -33.300000 11.207000 33 L A 2 "LEU " " CB " 6 0 1 1 54.32 527 + 528 3 3.286000 -32.161000 11.295000 33 L A 2 "LEU " " CG " 6 0 1 1 58.1 528 + 529 3 2.825000 -30.828000 10.667000 33 L A 2 "LEU " " CD1" 6 0 1 1 39.38 529 + 530 3 3.748000 -31.951000 12.743000 33 L A 2 "LEU " " CD2" 6 0 1 1 57.96 530 + 531 43 0.430000 -34.979000 10.834000 33 L A 2 "LEU " " H " 1 0 1 1 53.56 531 + 532 41 1.270000 -32.888000 9.348000 33 L A 2 "LEU " " HA " 1 0 1 1 52.62 532 + 533 41 2.631000 -34.167000 11.735000 33 L A 2 "LEU " " HB3" 1 0 1 1 54.32 533 + 534 41 1.355000 -33.009000 11.775000 33 L A 2 "LEU " " HB2" 1 0 1 1 54.32 534 + 535 41 4.167000 -32.495000 10.748000 33 L A 2 "LEU " " HG " 1 0 1 1 58.1 535 + 536 41 3.680000 -30.213000 10.390000 33 L A 2 "LEU " "HD11" 1 0 1 1 39.38 536 + 537 41 2.231000 -30.966000 9.767000 33 L A 2 "LEU " "HD12" 1 0 1 1 39.38 537 + 538 41 2.227000 -30.238000 11.362000 33 L A 2 "LEU " "HD13" 1 0 1 1 39.38 538 + 539 41 4.790000 -31.632000 12.775000 33 L A 2 "LEU " "HD21" 1 0 1 1 57.96 539 + 540 41 3.149000 -31.189000 13.237000 33 L A 2 "LEU " "HD22" 1 0 1 1 57.96 540 + 541 41 3.667000 -32.860000 13.339000 33 L A 2 "LEU " "HD23" 1 0 1 1 57.96 541 + 542 25 3.568000 -35.279000 8.889000 34 P A 2 "PRO " " N " 7 0 1 1 35.37 542 + 543 3 4.686000 -35.622000 7.987000 34 P A 2 "PRO " " CA " 6 0 1 1 41.41 543 + 544 2 4.301000 -35.575000 6.500000 34 P A 2 "PRO " " C " 6 0 1 1 49.17 544 + 545 15 5.009000 -34.941000 5.720000 34 P A 2 "PRO " " O " 8 0 1 1 52.07 545 + 546 3 5.128000 -37.029000 8.432000 34 P A 2 "PRO " " CB " 6 0 1 1 32.04 546 + 547 3 4.598000 -37.169000 9.848000 34 P A 2 "PRO " " CG " 6 0 1 1 39.93 547 + 548 3 3.292000 -36.390000 9.800000 34 P A 2 "PRO " " CD " 6 0 1 1 41.48 548 + 549 41 5.497000 -34.915000 8.177000 34 P A 2 "PRO " " HA " 1 0 1 1 41.41 549 + 550 41 6.209000 -37.163000 8.381000 34 P A 2 "PRO " " HB3" 1 0 1 1 32.04 550 + 551 41 4.677000 -37.801000 7.806000 34 P A 2 "PRO " " HB2" 1 0 1 1 32.04 551 + 552 41 5.284000 -36.682000 10.543000 34 P A 2 "PRO " " HG3" 1 0 1 1 39.93 552 + 553 41 4.475000 -38.205000 10.165000 34 P A 2 "PRO " " HG2" 1 0 1 1 39.93 553 + 554 41 2.500000 -37.005000 9.372000 34 P A 2 "PRO " " HD2" 1 0 1 1 41.48 554 + 555 41 2.988000 -36.092000 10.801000 34 P A 2 "PRO " " HD3" 1 0 1 1 41.48 555 + 556 25 3.153000 -36.188000 6.166000 35 T A 2 "THR " " N " 7 0 1 1 54 556 + 557 3 2.551000 -36.182000 4.835000 35 T A 2 "THR " " CA " 6 0 1 1 51.47 557 + 558 2 2.139000 -34.770000 4.386000 35 T A 2 "THR " " C " 6 0 1 1 53.73 558 + 559 15 2.447000 -34.390000 3.260000 35 T A 2 "THR " " O " 8 0 1 1 46.37 559 + 560 3 1.285000 -37.076000 4.788000 35 T A 2 "THR " " CB " 6 0 1 1 52.57 560 + 561 16 1.602000 -38.370000 5.261000 35 T A 2 "THR " " OG1" 8 0 1 1 60.64 561 + 562 3 0.626000 -37.214000 3.404000 35 T A 2 "THR " " CG2" 6 0 1 1 54.35 562 + 563 43 2.632000 -36.688000 6.872000 35 T A 2 "THR " " H " 1 0 1 1 54 563 + 564 41 3.287000 -36.569000 4.128000 35 T A 2 "THR " " HA " 1 0 1 1 51.47 564 + 565 41 0.544000 -36.673000 5.475000 35 T A 2 "THR " " HB " 1 0 1 1 52.57 565 + 566 42 0.807000 -38.907000 5.236000 35 T A 2 "THR " " HG1" 1 0 1 1 60.64 566 + 567 41 -0.191000 -37.936000 3.427000 35 T A 2 "THR " "HG21" 1 0 1 1 54.35 567 + 568 41 0.202000 -36.270000 3.062000 35 T A 2 "THR " "HG22" 1 0 1 1 54.35 568 + 569 41 1.343000 -37.548000 2.654000 35 T A 2 "THR " "HG23" 1 0 1 1 54.35 569 + 570 25 1.494000 -34.013000 5.291000 36 F A 2 "PHE " " N " 7 0 1 1 48.05 570 + 571 3 1.027000 -32.648000 5.067000 36 F A 2 "PHE " " CA " 6 0 1 1 48.37 571 + 572 2 2.165000 -31.680000 4.712000 36 F A 2 "PHE " " C " 6 0 1 1 55.4 572 + 573 15 2.044000 -30.986000 3.706000 36 F A 2 "PHE " " O " 8 0 1 1 55.15 573 + 574 3 0.186000 -32.173000 6.272000 36 F A 2 "PHE " " CB " 6 0 1 1 49.98 574 + 575 2 -0.393000 -30.772000 6.162000 36 F A 2 "PHE " " CG " 6 0 1 1 56.23 575 + 576 2 -1.223000 -30.439000 5.071000 36 F A 2 "PHE " " CD1" 6 0 1 1 51.24 576 + 577 2 -0.140000 -29.803000 7.155000 36 F A 2 "PHE " " CD2" 6 0 1 1 59.4 577 + 578 2 -1.770000 -29.170000 4.980000 36 F A 2 "PHE " " CE1" 6 0 1 1 57.69 578 + 579 2 -0.708000 -28.538000 7.047000 36 F A 2 "PHE " " CE2" 6 0 1 1 57.51 579 + 580 2 -1.520000 -28.224000 5.966000 36 F A 2 "PHE " " CZ " 6 0 1 1 51.29 580 + 581 43 1.278000 -34.407000 6.199000 36 F A 2 "PHE " " H " 1 0 1 1 48.05 581 + 582 41 0.366000 -32.696000 4.199000 36 F A 2 "PHE " " HA " 1 0 1 1 48.37 582 + 583 41 0.781000 -32.244000 7.182000 36 F A 2 "PHE " " HB3" 1 0 1 1 49.98 583 + 584 41 -0.657000 -32.852000 6.413000 36 F A 2 "PHE " " HB2" 1 0 1 1 49.98 584 + 585 41 -1.436000 -31.167000 4.302000 36 F A 2 "PHE " " HD1" 1 0 1 1 51.24 585 + 586 41 0.494000 -30.035000 7.998000 36 F A 2 "PHE " " HD2" 1 0 1 1 59.4 586 + 587 41 -2.391000 -28.924000 4.135000 36 F A 2 "PHE " " HE1" 1 0 1 1 57.69 587 + 588 41 -0.507000 -27.790000 7.799000 36 F A 2 "PHE " " HE2" 1 0 1 1 57.51 588 + 589 41 -1.948000 -27.236000 5.887000 36 F A 2 "PHE " " HZ " 1 0 1 1 51.29 589 + 590 25 3.266000 -31.700000 5.486000 37 L A 2 "LEU " " N " 7 0 1 1 52.22 590 + 591 3 4.473000 -30.912000 5.215000 37 L A 2 "LEU " " CA " 6 0 1 1 54.63 591 + 592 2 5.131000 -31.256000 3.869000 37 L A 2 "LEU " " C " 6 0 1 1 57.59 592 + 593 15 5.559000 -30.330000 3.181000 37 L A 2 "LEU " " O " 8 0 1 1 63.95 593 + 594 3 5.502000 -31.069000 6.357000 37 L A 2 "LEU " " CB " 6 0 1 1 50.12 594 + 595 3 5.126000 -30.377000 7.684000 37 L A 2 "LEU " " CG " 6 0 1 1 44.06 595 + 596 3 6.158000 -30.722000 8.777000 37 L A 2 "LEU " " CD1" 6 0 1 1 34.67 596 + 597 3 4.930000 -28.853000 7.533000 37 L A 2 "LEU " " CD2" 6 0 1 1 14.4 597 + 598 43 3.301000 -32.310000 6.293000 37 L A 2 "LEU " " H " 1 0 1 1 52.22 598 + 599 41 4.166000 -29.867000 5.153000 37 L A 2 "LEU " " HA " 1 0 1 1 54.63 599 + 600 41 6.462000 -30.659000 6.038000 37 L A 2 "LEU " " HB3" 1 0 1 1 50.12 600 + 601 41 5.677000 -32.133000 6.530000 37 L A 2 "LEU " " HB2" 1 0 1 1 50.12 601 + 602 41 4.169000 -30.782000 8.009000 37 L A 2 "LEU " " HG " 1 0 1 1 44.06 602 + 603 41 5.676000 -31.138000 9.659000 37 L A 2 "LEU " "HD11" 1 0 1 1 34.67 603 + 604 41 6.882000 -31.464000 8.439000 37 L A 2 "LEU " "HD12" 1 0 1 1 34.67 604 + 605 41 6.725000 -29.851000 9.103000 37 L A 2 "LEU " "HD13" 1 0 1 1 34.67 605 + 606 41 5.369000 -28.286000 8.353000 37 L A 2 "LEU " "HD21" 1 0 1 1 14.4 606 + 607 41 5.373000 -28.474000 6.612000 37 L A 2 "LEU " "HD22" 1 0 1 1 14.4 607 + 608 41 3.869000 -28.602000 7.511000 37 L A 2 "LEU " "HD23" 1 0 1 1 14.4 608 + 609 25 5.179000 -32.552000 3.505000 38 V A 2 "VAL " " N " 7 0 1 1 54.2 609 + 610 3 5.693000 -33.024000 2.215000 38 V A 2 "VAL " " CA " 6 0 1 1 52.12 610 + 611 2 4.847000 -32.512000 1.036000 38 V A 2 "VAL " " C " 6 0 1 1 57.39 611 + 612 15 5.420000 -31.954000 0.103000 38 V A 2 "VAL " " O " 8 0 1 1 53.96 612 + 613 3 5.824000 -34.574000 2.153000 38 V A 2 "VAL " " CB " 6 0 1 1 45.14 613 + 614 3 6.036000 -35.162000 0.739000 38 V A 2 "VAL " " CG1" 6 0 1 1 51.28 614 + 615 3 6.960000 -35.061000 3.069000 38 V A 2 "VAL " " CG2" 6 0 1 1 45.56 615 + 616 43 4.810000 -33.261000 4.126000 38 V A 2 "VAL " " H " 1 0 1 1 54.2 616 + 617 41 6.693000 -32.611000 2.086000 38 V A 2 "VAL " " HA " 1 0 1 1 52.12 617 + 618 41 4.901000 -35.004000 2.544000 38 V A 2 "VAL " " HB " 1 0 1 1 45.14 618 + 619 41 6.212000 -36.236000 0.790000 38 V A 2 "VAL " "HG11" 1 0 1 1 51.28 619 + 620 41 5.165000 -35.027000 0.097000 38 V A 2 "VAL " "HG12" 1 0 1 1 51.28 620 + 621 41 6.896000 -34.708000 0.244000 38 V A 2 "VAL " "HG13" 1 0 1 1 51.28 621 + 622 41 6.931000 -36.144000 3.191000 38 V A 2 "VAL " "HG21" 1 0 1 1 45.56 622 + 623 41 7.936000 -34.805000 2.655000 38 V A 2 "VAL " "HG22" 1 0 1 1 45.56 623 + 624 41 6.907000 -34.621000 4.063000 38 V A 2 "VAL " "HG23" 1 0 1 1 45.56 624 + 625 25 3.514000 -32.661000 1.120000 39 E A 2 "GLU " " N " 7 0 1 1 60.79 625 + 626 3 2.570000 -32.179000 0.113000 39 E A 2 "GLU " " CA " 6 0 1 1 69.47 626 + 627 2 2.619000 -30.651000 -0.073000 39 E A 2 "GLU " " C " 6 0 1 1 71.84 627 + 628 15 2.750000 -30.217000 -1.213000 39 E A 2 "GLU " " O " 8 0 1 1 71.98 628 + 629 3 1.147000 -32.659000 0.438000 39 E A 2 "GLU " " CB " 6 0 1 1 68.6 629 + 630 3 0.937000 -34.179000 0.302000 39 E A 2 "GLU " " CG " 6 0 1 1 82.65 630 + 631 2 -0.487000 -34.626000 0.647000 39 E A 2 "GLU " " CD " 6 0 1 1 95.13 631 + 632 15 -1.187000 -33.883000 1.371000 39 E A 2 "GLU " " OE1" 8 0 1 1 102.92 632 + 633 18 -0.852000 -35.726000 0.180000 39 E A 2 "GLU " " OE2" 8 -1 1 1 87.53 633 + 634 43 3.110000 -33.132000 1.921000 39 E A 2 "GLU " " H " 1 0 1 1 60.79 634 + 635 41 2.861000 -32.625000 -0.841000 39 E A 2 "GLU " " HA " 1 0 1 1 69.47 635 + 636 41 0.451000 -32.179000 -0.246000 39 E A 2 "GLU " " HB3" 1 0 1 1 68.6 636 + 637 41 0.884000 -32.335000 1.446000 39 E A 2 "GLU " " HB2" 1 0 1 1 68.6 637 + 638 41 1.632000 -34.733000 0.929000 39 E A 2 "GLU " " HG3" 1 0 1 1 82.65 638 + 639 41 1.151000 -34.480000 -0.724000 39 E A 2 "GLU " " HG2" 1 0 1 1 82.65 639 + 640 25 2.597000 -29.879000 1.032000 40 L A 2 "LEU " " N " 7 0 1 1 72.19 640 + 641 3 2.770000 -28.418000 1.053000 40 L A 2 "LEU " " CA " 6 0 1 1 61.7 641 + 642 2 4.069000 -27.957000 0.372000 40 L A 2 "LEU " " C " 6 0 1 1 64.47 642 + 643 15 4.023000 -27.043000 -0.450000 40 L A 2 "LEU " " O " 8 0 1 1 72.46 643 + 644 3 2.790000 -27.901000 2.506000 40 L A 2 "LEU " " CB " 6 0 1 1 54.01 644 + 645 3 1.445000 -27.912000 3.251000 40 L A 2 "LEU " " CG " 6 0 1 1 44.39 645 + 646 3 1.712000 -27.764000 4.763000 40 L A 2 "LEU " " CD1" 6 0 1 1 35.25 646 + 647 3 0.472000 -26.847000 2.707000 40 L A 2 "LEU " " CD2" 6 0 1 1 42.86 647 + 648 43 2.486000 -30.322000 1.936000 40 L A 2 "LEU " " H " 1 0 1 1 72.19 648 + 649 41 1.930000 -27.971000 0.517000 40 L A 2 "LEU " " HA " 1 0 1 1 61.7 649 + 650 41 3.169000 -26.878000 2.529000 40 L A 2 "LEU " " HB3" 1 0 1 1 54.01 650 + 651 41 3.516000 -28.492000 3.067000 40 L A 2 "LEU " " HB2" 1 0 1 1 54.01 651 + 652 41 0.956000 -28.872000 3.100000 40 L A 2 "LEU " " HG " 1 0 1 1 44.39 652 + 653 41 0.972000 -27.147000 5.261000 40 L A 2 "LEU " "HD11" 1 0 1 1 35.25 653 + 654 41 1.690000 -28.737000 5.251000 40 L A 2 "LEU " "HD12" 1 0 1 1 35.25 654 + 655 41 2.688000 -27.327000 4.973000 40 L A 2 "LEU " "HD13" 1 0 1 1 35.25 655 + 656 41 0.038000 -26.227000 3.489000 40 L A 2 "LEU " "HD21" 1 0 1 1 42.86 656 + 657 41 0.961000 -26.183000 1.997000 40 L A 2 "LEU " "HD22" 1 0 1 1 42.86 657 + 658 41 -0.361000 -27.310000 2.183000 40 L A 2 "LEU " "HD23" 1 0 1 1 42.86 658 + 659 25 5.198000 -28.601000 0.717000 41 S A 2 "SER " " N " 7 0 1 1 56.8 659 + 660 3 6.511000 -28.305000 0.140000 41 S A 2 "SER " " CA " 6 0 1 1 57.02 660 + 661 2 6.589000 -28.601000 -1.370000 41 S A 2 "SER " " C " 6 0 1 1 60.75 661 + 662 15 7.257000 -27.845000 -2.074000 41 S A 2 "SER " " O " 8 0 1 1 61.09 662 + 663 3 7.624000 -28.984000 0.966000 41 S A 2 "SER " " CB " 6 0 1 1 54.5 663 + 664 16 7.766000 -30.360000 0.683000 41 S A 2 "SER " " OG " 8 0 1 1 39.54 664 + 665 43 5.165000 -29.334000 1.414000 41 S A 2 "SER " " H " 1 0 1 1 56.8 665 + 666 41 6.657000 -27.230000 0.256000 41 S A 2 "SER " " HA " 1 0 1 1 57.02 666 + 667 41 7.461000 -28.846000 2.034000 41 S A 2 "SER " " HB3" 1 0 1 1 54.5 667 + 668 41 8.580000 -28.513000 0.738000 41 S A 2 "SER " " HB2" 1 0 1 1 54.5 668 + 669 42 6.936000 -30.805000 0.879000 41 S A 2 "SER " " HG " 1 0 1 1 39.54 669 + 670 25 5.859000 -29.628000 -1.850000 42 R A 2 "ARG " " N " 7 0 1 1 62.11 670 + 671 3 5.698000 -29.919000 -3.276000 42 R A 2 "ARG " " CA " 6 0 1 1 60.8 671 + 672 2 4.897000 -28.847000 -4.035000 42 R A 2 "ARG " " C " 6 0 1 1 58.13 672 + 673 15 5.272000 -28.547000 -5.168000 42 R A 2 "ARG " " O " 8 0 1 1 61.04 673 + 674 3 5.059000 -31.304000 -3.503000 42 R A 2 "ARG " " CB " 6 0 1 1 68.18 674 + 675 3 5.985000 -32.492000 -3.200000 42 R A 2 "ARG " " CG " 6 0 1 1 91.19 675 + 676 3 5.599000 -33.761000 -3.974000 42 R A 2 "ARG " " CD " 6 0 1 1 103.75 676 + 677 25 5.898000 -33.602000 -5.407000 42 R A 2 "ARG " " NE " 7 0 1 1 126.25 677 + 678 2 5.221000 -34.118000 -6.446000 42 R A 2 "ARG " " CZ " 6 0 1 1 130.41 678 + 679 25 4.148000 -34.901000 -6.271000 42 R A 2 "ARG " " NH1" 7 0 1 1 136.49 679 + 680 31 5.630000 -33.833000 -7.690000 42 R A 2 "ARG " " NH2" 7 1 1 1 125.72 680 + 681 43 5.332000 -30.208000 -1.210000 42 R A 2 "ARG " " H " 1 0 1 1 62.11 681 + 682 41 6.699000 -29.931000 -3.712000 42 R A 2 "ARG " " HA " 1 0 1 1 60.8 682 + 683 41 4.784000 -31.361000 -4.558000 42 R A 2 "ARG " " HB3" 1 0 1 1 68.18 683 + 684 41 4.123000 -31.411000 -2.960000 42 R A 2 "ARG " " HB2" 1 0 1 1 68.18 684 + 685 41 6.151000 -32.679000 -2.143000 42 R A 2 "ARG " " HG3" 1 0 1 1 91.19 685 + 686 41 6.955000 -32.191000 -3.592000 42 R A 2 "ARG " " HG2" 1 0 1 1 91.19 686 + 687 41 4.513000 -33.825000 -3.920000 42 R A 2 "ARG " " HD3" 1 0 1 1 103.75 687 + 688 41 5.981000 -34.683000 -3.533000 42 R A 2 "ARG " " HD2" 1 0 1 1 103.75 688 + 689 43 6.743000 -33.085000 -5.608000 42 R A 2 "ARG " " HE " 1 0 1 1 126.25 689 + 690 43 3.649000 -35.282000 -7.062000 42 R A 2 "ARG " "HH12" 1 0 1 1 136.49 690 + 691 43 3.836000 -35.124000 -5.336000 42 R A 2 "ARG " "HH11" 1 0 1 1 136.49 691 + 692 44 5.139000 -34.209000 -8.489000 42 R A 2 "ARG " "HH22" 1 0 1 1 125.72 692 + 693 44 6.437000 -33.245000 -7.840000 42 R A 2 "ARG " "HH21" 1 0 1 1 125.72 693 + 694 25 3.839000 -28.282000 -3.417000 43 V A 2 "VAL " " N " 7 0 1 1 44.72 694 + 695 3 3.052000 -27.186000 -4.003000 43 V A 2 "VAL " " CA " 6 0 1 1 48.72 695 + 696 2 3.909000 -25.922000 -4.192000 43 V A 2 "VAL " " C " 6 0 1 1 45.66 696 + 697 15 3.916000 -25.357000 -5.286000 43 V A 2 "VAL " " O " 8 0 1 1 49.68 697 + 698 3 1.803000 -26.790000 -3.159000 43 V A 2 "VAL " " CB " 6 0 1 1 48.77 698 + 699 3 1.042000 -25.570000 -3.730000 43 V A 2 "VAL " " CG1" 6 0 1 1 32.69 699 + 700 3 0.839000 -27.970000 -2.968000 43 V A 2 "VAL " " CG2" 6 0 1 1 49.83 700 + 701 43 3.575000 -28.585000 -2.489000 43 V A 2 "VAL " " H " 1 0 1 1 44.72 701 + 702 41 2.711000 -27.513000 -4.988000 43 V A 2 "VAL " " HA " 1 0 1 1 48.72 702 + 703 41 2.127000 -26.508000 -2.158000 43 V A 2 "VAL " " HB " 1 0 1 1 48.77 703 + 704 41 0.060000 -25.455000 -3.274000 43 V A 2 "VAL " "HG11" 1 0 1 1 32.69 704 + 705 41 1.575000 -24.636000 -3.555000 43 V A 2 "VAL " "HG12" 1 0 1 1 32.69 705 + 706 41 0.892000 -25.667000 -4.805000 43 V A 2 "VAL " "HG13" 1 0 1 1 32.69 706 + 707 41 -0.090000 -27.660000 -2.490000 43 V A 2 "VAL " "HG21" 1 0 1 1 49.83 707 + 708 41 0.598000 -28.448000 -3.916000 43 V A 2 "VAL " "HG22" 1 0 1 1 49.83 708 + 709 41 1.267000 -28.730000 -2.328000 43 V A 2 "VAL " "HG23" 1 0 1 1 49.83 709 + 710 25 4.645000 -25.549000 -3.130000 44 L A 2 "LEU " " N " 7 0 1 1 53.6 710 + 711 3 5.607000 -24.449000 -3.099000 44 L A 2 "LEU " " CA " 6 0 1 1 58.47 711 + 712 2 6.711000 -24.582000 -4.169000 44 L A 2 "LEU " " C " 6 0 1 1 56.38 712 + 713 15 7.107000 -23.565000 -4.736000 44 L A 2 "LEU " " O " 8 0 1 1 53.18 713 + 714 3 6.170000 -24.344000 -1.657000 44 L A 2 "LEU " " CB " 6 0 1 1 61.11 714 + 715 3 7.278000 -23.292000 -1.411000 44 L A 2 "LEU " " CG " 6 0 1 1 60.45 715 + 716 3 6.803000 -21.852000 -1.674000 44 L A 2 "LEU " " CD1" 6 0 1 1 62.27 716 + 717 3 7.897000 -23.419000 -0.009000 44 L A 2 "LEU " " CD2" 6 0 1 1 55.99 717 + 718 43 4.569000 -26.087000 -2.277000 44 L A 2 "LEU " " H " 1 0 1 1 53.6 718 + 719 41 5.047000 -23.538000 -3.317000 44 L A 2 "LEU " " HA " 1 0 1 1 58.47 719 + 720 41 6.565000 -25.320000 -1.376000 44 L A 2 "LEU " " HB3" 1 0 1 1 61.11 720 + 721 41 5.346000 -24.154000 -0.968000 44 L A 2 "LEU " " HB2" 1 0 1 1 61.11 721 + 722 41 8.087000 -23.512000 -2.102000 44 L A 2 "LEU " " HG " 1 0 1 1 60.45 722 + 723 41 7.636000 -21.151000 -1.612000 44 L A 2 "LEU " "HD11" 1 0 1 1 62.27 723 + 724 41 6.361000 -21.737000 -2.663000 44 L A 2 "LEU " "HD12" 1 0 1 1 62.27 724 + 725 41 6.062000 -21.545000 -0.937000 44 L A 2 "LEU " "HD13" 1 0 1 1 62.27 725 + 726 41 8.971000 -23.601000 -0.073000 44 L A 2 "LEU " "HD21" 1 0 1 1 55.99 726 + 727 41 7.760000 -22.510000 0.576000 44 L A 2 "LEU " "HD22" 1 0 1 1 55.99 727 + 728 41 7.462000 -24.240000 0.560000 44 L A 2 "LEU " "HD23" 1 0 1 1 55.99 728 + 729 25 7.162000 -25.819000 -4.441000 45 A A 2 "ALA " " N " 7 0 1 1 53.08 729 + 730 3 8.235000 -26.129000 -5.384000 45 A A 2 "ALA " " CA " 6 0 1 1 55.06 730 + 731 2 7.861000 -26.007000 -6.867000 45 A A 2 "ALA " " C " 6 0 1 1 56.79 731 + 732 15 8.711000 -25.566000 -7.639000 45 A A 2 "ALA " " O " 8 0 1 1 64.84 732 + 733 3 8.793000 -27.525000 -5.075000 45 A A 2 "ALA " " CB " 6 0 1 1 51.02 733 + 734 43 6.785000 -26.603000 -3.927000 45 A A 2 "ALA " " H " 1 0 1 1 53.08 734 + 735 41 9.040000 -25.416000 -5.228000 45 A A 2 "ALA " " HA " 1 0 1 1 55.06 735 + 736 41 9.621000 -27.781000 -5.737000 45 A A 2 "ALA " " HB1" 1 0 1 1 51.02 736 + 737 41 9.171000 -27.567000 -4.056000 45 A A 2 "ALA " " HB2" 1 0 1 1 51.02 737 + 738 41 8.032000 -28.299000 -5.178000 45 A A 2 "ALA " " HB3" 1 0 1 1 51.02 738 + 739 25 6.633000 -26.405000 -7.241000 46 N A 2 "ASN " " N " 7 0 0 1 54.15 739 + 740 3 6.173000 -26.477000 -8.630000 46 N A 2 "ASN " " CA " 6 0 0 1 50.79 740 + 741 2 5.831000 -25.064000 -9.166000 46 N A 2 "ASN " " C " 6 0 0 1 56.08 741 + 742 15 4.858000 -24.479000 -8.685000 46 N A 2 "ASN " " O " 8 0 0 1 65.06 742 + 743 3 4.963000 -27.440000 -8.658000 46 N A 2 "ASN " " CB " 6 0 0 1 61.03 743 + 744 2 4.365000 -27.709000 -10.050000 46 N A 2 "ASN " " CG " 6 0 0 1 73.24 744 + 745 15 4.908000 -27.306000 -11.077000 46 N A 2 "ASN " " OD1" 8 0 0 1 83.31 745 + 746 25 3.234000 -28.414000 -10.086000 46 N A 2 "ASN " " ND2" 7 0 0 1 77.41 746 + 747 43 5.985000 -26.735000 -6.539000 46 N A 2 "ASN " " H " 1 0 0 1 54.15 747 + 748 41 6.956000 -26.970000 -9.203000 46 N A 2 "ASN " " HA " 1 0 0 1 50.79 748 + 749 41 4.186000 -27.078000 -7.988000 46 N A 2 "ASN " " HB3" 1 0 0 1 61.03 749 + 750 41 5.272000 -28.407000 -8.258000 46 N A 2 "ASN " " HB2" 1 0 0 1 61.03 750 + 751 43 2.799000 -28.628000 -10.971000 46 N A 2 "ASN " "HD22" 1 0 0 1 77.41 751 + 752 43 2.796000 -28.723000 -9.229000 46 N A 2 "ASN " "HD21" 1 0 0 1 77.41 752 + 753 25 6.589000 -24.551000 -10.171000 47 P A 2 "PRO " " N " 7 0 0 1 53.78 753 + 754 3 6.285000 -23.257000 -10.822000 47 P A 2 "PRO " " CA " 6 0 0 1 47.13 754 + 755 2 4.979000 -23.199000 -11.638000 47 P A 2 "PRO " " C " 6 0 0 1 52.78 755 + 756 15 4.565000 -22.100000 -12.004000 47 P A 2 "PRO " " O " 8 0 0 1 53.8 756 + 757 3 7.509000 -22.974000 -11.718000 47 P A 2 "PRO " " CB " 6 0 0 1 37.88 757 + 758 3 8.587000 -23.923000 -11.232000 47 P A 2 "PRO " " CG " 6 0 0 1 35.68 758 + 759 3 7.794000 -25.131000 -10.767000 47 P A 2 "PRO " " CD " 6 0 0 1 41.06 759 + 760 41 6.231000 -22.505000 -10.038000 47 P A 2 "PRO " " HA " 1 0 0 1 47.13 760 + 761 41 7.830000 -21.933000 -11.669000 47 P A 2 "PRO " " HB3" 1 0 0 1 37.88 761 + 762 41 7.288000 -23.197000 -12.764000 47 P A 2 "PRO " " HB2" 1 0 0 1 37.88 762 + 763 41 9.092000 -23.482000 -10.373000 47 P A 2 "PRO " " HG3" 1 0 0 1 35.68 763 + 764 41 9.339000 -24.155000 -11.986000 47 P A 2 "PRO " " HG2" 1 0 0 1 35.68 764 + 765 41 7.503000 -25.757000 -11.612000 47 P A 2 "PRO " " HD2" 1 0 0 1 41.06 765 + 766 41 8.409000 -25.730000 -10.100000 47 P A 2 "PRO " " HD3" 1 0 0 1 41.06 766 + 767 25 4.354000 -24.361000 -11.900000 48 G A 2 "GLY " " N " 7 0 0 1 60.02 767 + 768 3 3.085000 -24.481000 -12.617000 48 G A 2 "GLY " " CA " 6 0 0 1 65.1 768 + 769 2 1.873000 -24.062000 -11.765000 48 G A 2 "GLY " " C " 6 0 0 1 59.81 769 + 770 15 0.786000 -23.912000 -12.320000 48 G A 2 "GLY " " O " 8 0 0 1 61.79 770 + 771 43 4.766000 -25.225000 -11.574000 48 G A 2 "GLY " " H " 1 0 0 1 60.02 771 + 772 41 2.955000 -25.519000 -12.920000 48 G A 2 "GLY " " HA3" 1 0 0 1 65.1 772 + 773 41 3.112000 -23.885000 -13.530000 48 G A 2 "GLY " " HA2" 1 0 0 1 65.1 773 + 774 25 2.044000 -23.869000 -10.444000 49 N A 2 "ASN " " N " 7 0 0 1 60.42 774 + 775 3 1.003000 -23.390000 -9.532000 49 N A 2 "ASN " " CA " 6 0 0 1 62.03 775 + 776 2 0.967000 -21.855000 -9.490000 49 N A 2 "ASN " " C " 6 0 0 1 64.18 776 + 777 15 1.983000 -21.195000 -9.711000 49 N A 2 "ASN " " O " 8 0 0 1 50.27 777 + 778 3 1.249000 -23.986000 -8.127000 49 N A 2 "ASN " " CB " 6 0 0 1 72.94 778 + 779 2 1.028000 -25.499000 -8.050000 49 N A 2 "ASN " " CG " 6 0 0 1 76.29 779 + 780 15 1.908000 -26.236000 -7.619000 49 N A 2 "ASN " " OD1" 8 0 0 1 88.01 780 + 781 25 -0.154000 -25.974000 -8.448000 49 N A 2 "ASN " " ND2" 7 0 0 1 73.38 781 + 782 43 2.961000 -24.003000 -10.040000 49 N A 2 "ASN " " H " 1 0 0 1 60.42 782 + 783 41 0.041000 -23.749000 -9.904000 49 N A 2 "ASN " " HA " 1 0 0 1 62.03 783 + 784 41 0.582000 -23.527000 -7.395000 49 N A 2 "ASN " " HB3" 1 0 0 1 72.94 784 + 785 41 2.266000 -23.769000 -7.802000 49 N A 2 "ASN " " HB2" 1 0 0 1 72.94 785 + 786 43 -0.339000 -26.965000 -8.405000 49 N A 2 "ASN " "HD22" 1 0 0 1 73.38 786 + 787 43 -0.872000 -25.352000 -8.791000 49 N A 2 "ASN " "HD21" 1 0 0 1 73.38 787 + 788 25 -0.228000 -21.329000 -9.173000 50 S A 2 "SER " " N " 7 0 0 1 64.54 788 + 789 3 -0.528000 -19.908000 -8.978000 50 S A 2 "SER " " CA " 6 0 0 1 67.69 789 + 790 2 0.291000 -19.284000 -7.833000 50 S A 2 "SER " " C " 6 0 0 1 69.28 790 + 791 15 0.654000 -20.002000 -6.900000 50 S A 2 "SER " " O " 8 0 0 1 67.79 791 + 792 3 -2.052000 -19.785000 -8.734000 50 S A 2 "SER " " CB " 6 0 0 1 71.93 792 + 793 16 -2.451000 -20.320000 -7.484000 50 S A 2 "SER " " OG " 8 0 0 1 64.03 793 + 794 43 -1.001000 -21.952000 -8.986000 50 S A 2 "SER " " H " 1 0 0 1 64.54 794 + 795 41 -0.278000 -19.389000 -9.905000 50 S A 2 "SER " " HA " 1 0 0 1 67.69 795 + 796 41 -2.613000 -20.281000 -9.528000 50 S A 2 "SER " " HB3" 1 0 0 1 71.93 796 + 797 41 -2.348000 -18.735000 -8.758000 50 S A 2 "SER " " HB2" 1 0 0 1 71.93 797 + 798 42 -3.368000 -20.612000 -7.539000 50 S A 2 "SER " " HG " 1 0 0 1 64.03 798 + 799 25 0.516000 -17.954000 -7.889000 51 Q A 2 "GLN " " N " 7 0 1 1 74.91 799 + 800 3 1.106000 -17.184000 -6.782000 51 Q A 2 "GLN " " CA " 6 0 1 1 74.41 800 + 801 2 0.376000 -17.417000 -5.451000 51 Q A 2 "GLN " " C " 6 0 1 1 75.43 801 + 802 15 1.040000 -17.653000 -4.448000 51 Q A 2 "GLN " " O " 8 0 1 1 73.7 802 + 803 3 1.209000 -15.674000 -7.124000 51 Q A 2 "GLN " " CB " 6 0 1 1 77.97 803 + 804 3 1.556000 -14.773000 -5.904000 51 Q A 2 "GLN " " CG " 6 0 1 1 86.21 804 + 805 2 1.782000 -13.287000 -6.187000 51 Q A 2 "GLN " " CD " 6 0 1 1 96.35 805 + 806 15 2.024000 -12.527000 -5.253000 51 Q A 2 "GLN " " OE1" 8 0 1 1 90.21 806 + 807 25 1.733000 -12.857000 -7.449000 51 Q A 2 "GLN " " NE2" 7 0 1 1 107.22 807 + 808 43 0.197000 -17.422000 -8.686000 51 Q A 2 "GLN " " H " 1 0 1 1 74.91 808 + 809 41 2.124000 -17.559000 -6.653000 51 Q A 2 "GLN " " HA " 1 0 1 1 74.41 809 + 810 41 0.267000 -15.336000 -7.558000 51 Q A 2 "GLN " " HB3" 1 0 1 1 77.97 810 + 811 41 1.968000 -15.552000 -7.898000 51 Q A 2 "GLN " " HB2" 1 0 1 1 77.97 811 + 812 41 2.454000 -15.154000 -5.416000 51 Q A 2 "GLN " " HG3" 1 0 1 1 86.21 812 + 813 41 0.761000 -14.811000 -5.158000 51 Q A 2 "GLN " " HG2" 1 0 1 1 86.21 813 + 814 43 1.876000 -11.878000 -7.653000 51 Q A 2 "GLN " "HE22" 1 0 1 1 107.22 814 + 815 43 1.535000 -13.498000 -8.203000 51 Q A 2 "GLN " "HE21" 1 0 1 1 107.22 815 + 816 25 -0.965000 -17.383000 -5.497000 52 V A 2 "VAL " " N " 7 0 1 1 72.22 816 + 817 3 -1.864000 -17.602000 -4.368000 52 V A 2 "VAL " " CA " 6 0 1 1 66.65 817 + 818 2 -1.616000 -18.952000 -3.663000 52 V A 2 "VAL " " C " 6 0 1 1 68.12 818 + 819 15 -1.412000 -18.952000 -2.450000 52 V A 2 "VAL " " O " 8 0 1 1 73.19 819 + 820 3 -3.354000 -17.520000 -4.815000 52 V A 2 "VAL " " CB " 6 0 1 1 63.54 820 + 821 3 -4.370000 -17.817000 -3.692000 52 V A 2 "VAL " " CG1" 6 0 1 1 53.45 821 + 822 3 -3.675000 -16.149000 -5.441000 52 V A 2 "VAL " " CG2" 6 0 1 1 74.17 822 + 823 43 -1.417000 -17.202000 -6.381000 52 V A 2 "VAL " " H " 1 0 1 1 72.22 823 + 824 41 -1.674000 -16.807000 -3.644000 52 V A 2 "VAL " " HA " 1 0 1 1 66.65 824 + 825 41 -3.518000 -18.267000 -5.593000 52 V A 2 "VAL " " HB " 1 0 1 1 63.54 825 + 826 41 -5.395000 -17.707000 -4.046000 52 V A 2 "VAL " "HG11" 1 0 1 1 53.45 826 + 827 41 -4.278000 -18.833000 -3.312000 52 V A 2 "VAL " "HG12" 1 0 1 1 53.45 827 + 828 41 -4.236000 -17.136000 -2.852000 52 V A 2 "VAL " "HG13" 1 0 1 1 53.45 828 + 829 41 -4.721000 -16.089000 -5.743000 52 V A 2 "VAL " "HG21" 1 0 1 1 74.17 829 + 830 41 -3.488000 -15.340000 -4.735000 52 V A 2 "VAL " "HG22" 1 0 1 1 74.17 830 + 831 41 -3.075000 -15.960000 -6.331000 52 V A 2 "VAL " "HG23" 1 0 1 1 74.17 831 + 832 25 -1.600000 -20.055000 -4.435000 53 A A 2 "ALA " " N " 7 0 1 1 65.16 832 + 833 3 -1.383000 -21.412000 -3.932000 53 A A 2 "ALA " " CA " 6 0 1 1 68 833 + 834 2 0.039000 -21.658000 -3.405000 53 A A 2 "ALA " " C " 6 0 1 1 69.06 834 + 835 15 0.167000 -22.238000 -2.329000 53 A A 2 "ALA " " O " 8 0 1 1 71.21 835 + 836 3 -1.736000 -22.435000 -5.021000 53 A A 2 "ALA " " CB " 6 0 1 1 78.99 836 + 837 43 -1.759000 -19.972000 -5.431000 53 A A 2 "ALA " " H " 1 0 1 1 65.16 837 + 838 41 -2.075000 -21.567000 -3.101000 53 A A 2 "ALA " " HA " 1 0 1 1 68 838 + 839 41 -1.602000 -23.456000 -4.661000 53 A A 2 "ALA " " HB1" 1 0 1 1 78.99 839 + 840 41 -2.776000 -22.335000 -5.330000 53 A A 2 "ALA " " HB2" 1 0 1 1 78.99 840 + 841 41 -1.114000 -22.309000 -5.907000 53 A A 2 "ALA " " HB3" 1 0 1 1 78.99 841 + 842 25 1.071000 -21.204000 -4.143000 54 R A 2 "ARG " " N " 7 0 1 1 64.18 842 + 843 3 2.481000 -21.329000 -3.747000 54 R A 2 "ARG " " CA " 6 0 1 1 58.99 843 + 844 2 2.819000 -20.529000 -2.479000 54 R A 2 "ARG " " C " 6 0 1 1 55.73 844 + 845 15 3.552000 -21.042000 -1.634000 54 R A 2 "ARG " " O " 8 0 1 1 64.2 845 + 846 3 3.417000 -20.918000 -4.902000 54 R A 2 "ARG " " CB " 6 0 1 1 50.23 846 + 847 3 3.306000 -21.818000 -6.142000 54 R A 2 "ARG " " CG " 6 0 1 1 56.43 847 + 848 3 4.329000 -21.496000 -7.243000 54 R A 2 "ARG " " CD " 6 0 1 1 48.12 848 + 849 25 5.686000 -21.915000 -6.874000 54 R A 2 "ARG " " NE " 7 0 1 1 55.7 849 + 850 2 6.826000 -21.516000 -7.460000 54 R A 2 "ARG " " CZ " 6 0 1 1 58.58 850 + 851 25 6.839000 -20.574000 -8.412000 54 R A 2 "ARG " " NH1" 7 0 1 1 67.19 851 + 852 31 7.973000 -22.087000 -7.089000 54 R A 2 "ARG " " NH2" 7 1 1 1 60.95 852 + 853 43 0.889000 -20.730000 -5.019000 54 R A 2 "ARG " " H " 1 0 1 1 64.18 853 + 854 41 2.664000 -22.383000 -3.526000 54 R A 2 "ARG " " HA " 1 0 1 1 58.99 854 + 855 41 4.447000 -20.956000 -4.549000 54 R A 2 "ARG " " HB3" 1 0 1 1 50.23 855 + 856 41 3.224000 -19.881000 -5.182000 54 R A 2 "ARG " " HB2" 1 0 1 1 50.23 856 + 857 41 2.299000 -21.845000 -6.551000 54 R A 2 "ARG " " HG3" 1 0 1 1 56.43 857 + 858 41 3.507000 -22.831000 -5.796000 54 R A 2 "ARG " " HG2" 1 0 1 1 56.43 858 + 859 41 4.379000 -20.412000 -7.323000 54 R A 2 "ARG " " HD3" 1 0 1 1 48.12 859 + 860 41 4.027000 -21.860000 -8.224000 54 R A 2 "ARG " " HD2" 1 0 1 1 48.12 860 + 861 43 5.749000 -22.651000 -6.183000 54 R A 2 "ARG " " HE " 1 0 1 1 55.7 861 + 862 43 7.711000 -20.321000 -8.864000 54 R A 2 "ARG " "HH12" 1 0 1 1 67.19 862 + 863 43 5.976000 -20.149000 -8.716000 54 R A 2 "ARG " "HH11" 1 0 1 1 67.19 863 + 864 44 8.852000 -21.851000 -7.535000 54 R A 2 "ARG " "HH22" 1 0 1 1 60.95 864 + 865 44 7.966000 -22.774000 -6.344000 54 R A 2 "ARG " "HH21" 1 0 1 1 60.95 865 + 866 25 2.254000 -19.315000 -2.353000 55 V A 2 "VAL " " N " 7 0 1 1 46.84 866 + 867 3 2.413000 -18.449000 -1.184000 55 V A 2 "VAL " " CA " 6 0 1 1 47.9 867 + 868 2 1.688000 -18.993000 0.059000 55 V A 2 "VAL " " C " 6 0 1 1 49.91 868 + 869 15 2.286000 -19.002000 1.135000 55 V A 2 "VAL " " O " 8 0 1 1 51.8 869 + 870 3 1.970000 -16.982000 -1.470000 55 V A 2 "VAL " " CB " 6 0 1 1 44.06 870 + 871 3 1.748000 -16.088000 -0.230000 55 V A 2 "VAL " " CG1" 6 0 1 1 40.18 871 + 872 3 2.969000 -16.283000 -2.414000 55 V A 2 "VAL " " CG2" 6 0 1 1 34.86 872 + 873 43 1.673000 -18.951000 -3.097000 55 V A 2 "VAL " " H " 1 0 1 1 46.84 873 + 874 41 3.474000 -18.448000 -0.954000 55 V A 2 "VAL " " HA " 1 0 1 1 47.9 874 + 875 41 1.010000 -17.023000 -1.986000 55 V A 2 "VAL " " HB " 1 0 1 1 44.06 875 + 876 41 1.553000 -15.056000 -0.522000 55 V A 2 "VAL " "HG11" 1 0 1 1 40.18 876 + 877 41 0.891000 -16.409000 0.363000 55 V A 2 "VAL " "HG12" 1 0 1 1 40.18 877 + 878 41 2.626000 -16.084000 0.417000 55 V A 2 "VAL " "HG13" 1 0 1 1 40.18 878 + 879 41 2.577000 -15.328000 -2.765000 55 V A 2 "VAL " "HG21" 1 0 1 1 34.86 879 + 880 41 3.916000 -16.083000 -1.913000 55 V A 2 "VAL " "HG22" 1 0 1 1 34.86 880 + 881 41 3.195000 -16.885000 -3.293000 55 V A 2 "VAL " "HG23" 1 0 1 1 34.86 881 + 882 25 0.441000 -19.467000 -0.116000 56 A A 2 "ALA " " N " 7 0 1 1 54.07 882 + 883 3 -0.357000 -20.101000 0.934000 56 A A 2 "ALA " " CA " 6 0 1 1 60.43 883 + 884 2 0.265000 -21.408000 1.456000 56 A A 2 "ALA " " C " 6 0 1 1 56.75 884 + 885 15 0.177000 -21.671000 2.654000 56 A A 2 "ALA " " O " 8 0 1 1 59.99 885 + 886 3 -1.784000 -20.332000 0.417000 56 A A 2 "ALA " " CB " 6 0 1 1 67.74 886 + 887 43 0.010000 -19.412000 -1.030000 56 A A 2 "ALA " " H " 1 0 1 1 54.07 887 + 888 41 -0.413000 -19.407000 1.775000 56 A A 2 "ALA " " HA " 1 0 1 1 60.43 888 + 889 41 -2.393000 -20.876000 1.140000 56 A A 2 "ALA " " HB1" 1 0 1 1 67.74 889 + 890 41 -2.285000 -19.383000 0.222000 56 A A 2 "ALA " " HB2" 1 0 1 1 67.74 890 + 891 41 -1.778000 -20.895000 -0.515000 56 A A 2 "ALA " " HB3" 1 0 1 1 67.74 891 + 892 25 0.926000 -22.167000 0.564000 57 A A 2 "ALA " " N " 7 0 1 1 53.3 892 + 893 3 1.683000 -23.373000 0.891000 57 A A 2 "ALA " " CA " 6 0 1 1 57.86 893 + 894 2 2.922000 -23.100000 1.754000 57 A A 2 "ALA " " C " 6 0 1 1 59.1 894 + 895 15 3.127000 -23.811000 2.737000 57 A A 2 "ALA " " O " 8 0 1 1 59.91 895 + 896 3 2.076000 -24.102000 -0.399000 57 A A 2 "ALA " " CB " 6 0 1 1 59.93 896 + 897 43 0.935000 -21.889000 -0.409000 57 A A 2 "ALA " " H " 1 0 1 1 53.3 897 + 898 41 1.028000 -24.024000 1.464000 57 A A 2 "ALA " " HA " 1 0 1 1 57.86 898 + 899 41 2.553000 -25.051000 -0.168000 57 A A 2 "ALA " " HB1" 1 0 1 1 59.93 899 + 900 41 1.206000 -24.321000 -1.013000 57 A A 2 "ALA " " HB2" 1 0 1 1 59.93 900 + 901 41 2.769000 -23.521000 -1.009000 57 A A 2 "ALA " " HB3" 1 0 1 1 59.93 901 + 902 25 3.699000 -22.064000 1.393000 58 G A 2 "GLY " " N " 7 0 1 1 59.05 902 + 903 3 4.898000 -21.658000 2.127000 58 G A 2 "GLY " " CA " 6 0 1 1 53.3 903 + 904 2 4.554000 -21.049000 3.497000 58 G A 2 "GLY " " C " 6 0 1 1 41.89 904 + 905 15 5.314000 -21.234000 4.447000 58 G A 2 "GLY " " O " 8 0 1 1 56.47 905 + 906 43 3.462000 -21.530000 0.568000 58 G A 2 "GLY " " H " 1 0 1 1 59.05 906 + 907 41 5.448000 -20.925000 1.540000 58 G A 2 "GLY " " HA3" 1 0 1 1 53.3 907 + 908 41 5.554000 -22.520000 2.255000 58 G A 2 "GLY " " HA2" 1 0 1 1 53.3 908 + 909 25 3.398000 -20.371000 3.615000 59 L A 2 "LEU " " N " 7 0 1 1 48.39 909 + 910 3 2.875000 -19.834000 4.872000 59 L A 2 "LEU " " CA " 6 0 1 1 43.35 910 + 911 2 2.483000 -20.943000 5.866000 59 L A 2 "LEU " " C " 6 0 1 1 44.27 911 + 912 15 2.831000 -20.832000 7.040000 59 L A 2 "LEU " " O " 8 0 1 1 53.84 912 + 913 3 1.707000 -18.867000 4.570000 59 L A 2 "LEU " " CB " 6 0 1 1 45.91 913 + 914 3 1.079000 -18.173000 5.803000 59 L A 2 "LEU " " CG " 6 0 1 1 52.31 914 + 915 3 2.117000 -17.366000 6.612000 59 L A 2 "LEU " " CD1" 6 0 1 1 56.68 915 + 916 3 -0.136000 -17.316000 5.394000 59 L A 2 "LEU " " CD2" 6 0 1 1 41.18 916 + 917 43 2.818000 -20.235000 2.798000 59 L A 2 "LEU " " H " 1 0 1 1 48.39 917 + 918 41 3.683000 -19.260000 5.329000 59 L A 2 "LEU " " HA " 1 0 1 1 43.35 918 + 919 41 0.927000 -19.415000 4.039000 59 L A 2 "LEU " " HB3" 1 0 1 1 45.91 919 + 920 41 2.054000 -18.101000 3.875000 59 L A 2 "LEU " " HB2" 1 0 1 1 45.91 920 + 921 41 0.685000 -18.948000 6.461000 59 L A 2 "LEU " " HG " 1 0 1 1 52.31 921 + 922 41 1.701000 -16.446000 7.023000 59 L A 2 "LEU " "HD11" 1 0 1 1 56.68 922 + 923 41 2.486000 -17.952000 7.454000 59 L A 2 "LEU " "HD12" 1 0 1 1 56.68 923 + 924 41 2.980000 -17.089000 6.007000 59 L A 2 "LEU " "HD13" 1 0 1 1 56.68 924 + 925 41 -1.017000 -17.594000 5.972000 59 L A 2 "LEU " "HD21" 1 0 1 1 41.18 925 + 926 41 0.032000 -16.250000 5.549000 59 L A 2 "LEU " "HD22" 1 0 1 1 41.18 926 + 927 41 -0.391000 -17.444000 4.341000 59 L A 2 "LEU " "HD23" 1 0 1 1 41.18 927 + 928 25 1.815000 -22.002000 5.376000 60 Q A 2 "GLN " " N " 7 0 1 1 52.75 928 + 929 3 1.437000 -23.180000 6.163000 60 Q A 2 "GLN " " CA " 6 0 1 1 51.28 929 + 930 2 2.626000 -23.978000 6.730000 60 Q A 2 "GLN " " C " 6 0 1 1 51.47 930 + 931 15 2.502000 -24.529000 7.825000 60 Q A 2 "GLN " " O " 8 0 1 1 56.54 931 + 932 3 0.521000 -24.094000 5.321000 60 Q A 2 "GLN " " CB " 6 0 1 1 51.37 932 + 933 3 -0.939000 -23.614000 5.179000 60 Q A 2 "GLN " " CG " 6 0 1 1 58.17 933 + 934 2 -1.760000 -23.603000 6.476000 60 Q A 2 "GLN " " CD " 6 0 1 1 58.33 934 + 935 15 -2.750000 -22.883000 6.562000 60 Q A 2 "GLN " " OE1" 8 0 1 1 60.89 935 + 936 25 -1.382000 -24.395000 7.483000 60 Q A 2 "GLN " " NE2" 7 0 1 1 69.65 936 + 937 43 1.557000 -22.018000 4.399000 60 Q A 2 "GLN " " H " 1 0 1 1 52.75 937 + 938 41 0.881000 -22.813000 7.027000 60 Q A 2 "GLN " " HA " 1 0 1 1 51.28 938 + 939 41 0.507000 -25.095000 5.747000 60 Q A 2 "GLN " " HB3" 1 0 1 1 51.37 939 + 940 41 0.950000 -24.210000 4.326000 60 Q A 2 "GLN " " HB2" 1 0 1 1 51.37 940 + 941 41 -1.458000 -24.256000 4.468000 60 Q A 2 "GLN " " HG3" 1 0 1 1 58.17 941 + 942 41 -0.961000 -22.610000 4.758000 60 Q A 2 "GLN " " HG2" 1 0 1 1 58.17 942 + 943 43 -1.916000 -24.408000 8.340000 60 Q A 2 "GLN " "HE22" 1 0 1 1 69.65 943 + 944 43 -0.566000 -24.984000 7.396000 60 Q A 2 "GLN " "HE21" 1 0 1 1 69.65 944 + 945 25 3.751000 -23.997000 5.996000 61 I A 2 "ILE " " N " 7 0 1 1 48.05 945 + 946 3 5.014000 -24.589000 6.437000 61 I A 2 "ILE " " CA " 6 0 1 1 55.17 946 + 947 2 5.672000 -23.745000 7.548000 61 I A 2 "ILE " " C " 6 0 1 1 67.38 947 + 948 15 6.057000 -24.319000 8.565000 61 I A 2 "ILE " " O " 8 0 1 1 78.98 948 + 949 3 6.000000 -24.793000 5.249000 61 I A 2 "ILE " " CB " 6 0 1 1 50.41 949 + 950 3 5.457000 -25.842000 4.254000 61 I A 2 "ILE " " CG1" 6 0 1 1 46.13 950 + 951 3 7.446000 -25.162000 5.651000 61 I A 2 "ILE " " CG2" 6 0 1 1 36.42 951 + 952 3 6.144000 -25.800000 2.880000 61 I A 2 "ILE " " CD1" 6 0 1 1 42.8 952 + 953 43 3.765000 -23.533000 5.097000 61 I A 2 "ILE " " H " 1 0 1 1 48.05 953 + 954 41 4.792000 -25.573000 6.858000 61 I A 2 "ILE " " HA " 1 0 1 1 55.17 954 + 955 41 6.041000 -23.846000 4.713000 61 I A 2 "ILE " " HB " 1 0 1 1 50.41 955 + 956 41 4.389000 -25.698000 4.104000 61 I A 2 "ILE " "HG13" 1 0 1 1 46.13 956 + 957 41 5.557000 -26.841000 4.680000 61 I A 2 "ILE " "HG12" 1 0 1 1 46.13 957 + 958 41 8.054000 -25.414000 4.783000 61 I A 2 "ILE " "HG21" 1 0 1 1 36.42 958 + 959 41 7.951000 -24.328000 6.137000 61 I A 2 "ILE " "HG22" 1 0 1 1 36.42 959 + 960 41 7.465000 -26.021000 6.322000 61 I A 2 "ILE " "HG23" 1 0 1 1 36.42 960 + 961 41 5.415000 -25.896000 2.076000 61 I A 2 "ILE " "HD11" 1 0 1 1 42.8 961 + 962 41 6.673000 -24.862000 2.718000 61 I A 2 "ILE " "HD12" 1 0 1 1 42.8 962 + 963 41 6.867000 -26.609000 2.778000 61 I A 2 "ILE " "HD13" 1 0 1 1 42.8 963 + 964 25 5.728000 -22.409000 7.369000 62 K A 2 "LYS " " N " 7 0 1 1 61.26 964 + 965 3 6.237000 -21.453000 8.363000 62 K A 2 "LYS " " CA " 6 0 1 1 58.01 965 + 966 2 5.471000 -21.525000 9.698000 62 K A 2 "LYS " " C " 6 0 1 1 56.52 966 + 967 15 6.105000 -21.621000 10.747000 62 K A 2 "LYS " " O " 8 0 1 1 64.5 967 + 968 3 6.205000 -20.017000 7.789000 62 K A 2 "LYS " " CB " 6 0 1 1 69.03 968 + 969 3 6.848000 -18.953000 8.709000 62 K A 2 "LYS " " CG " 6 0 1 1 83.32 969 + 970 3 6.282000 -17.547000 8.489000 62 K A 2 "LYS " " CD " 6 0 1 1 84.47 970 + 971 3 6.998000 -16.492000 9.345000 62 K A 2 "LYS " " CE " 6 0 1 1 92.33 971 + 972 32 6.452000 -15.147000 9.101000 62 K A 2 "LYS " " NZ " 7 1 1 1 105.46 972 + 973 43 5.385000 -22.011000 6.505000 62 K A 2 "LYS " " H " 1 0 1 1 61.26 973 + 974 41 7.279000 -21.717000 8.559000 62 K A 2 "LYS " " HA " 1 0 1 1 58.01 974 + 975 41 5.169000 -19.743000 7.591000 62 K A 2 "LYS " " HB3" 1 0 1 1 69.03 975 + 976 41 6.706000 -19.989000 6.820000 62 K A 2 "LYS " " HB2" 1 0 1 1 69.03 976 + 977 41 7.926000 -18.950000 8.541000 62 K A 2 "LYS " " HG3" 1 0 1 1 83.32 977 + 978 41 6.719000 -19.196000 9.761000 62 K A 2 "LYS " " HG2" 1 0 1 1 83.32 978 + 979 41 5.218000 -17.548000 8.729000 62 K A 2 "LYS " " HD3" 1 0 1 1 84.47 979 + 980 41 6.353000 -17.292000 7.435000 62 K A 2 "LYS " " HD2" 1 0 1 1 84.47 980 + 981 41 8.064000 -16.480000 9.114000 62 K A 2 "LYS " " HE3" 1 0 1 1 92.33 981 + 982 41 6.899000 -16.728000 10.405000 62 K A 2 "LYS " " HE2" 1 0 1 1 92.33 982 + 983 44 6.569000 -14.914000 8.123000 62 K A 2 "LYS " " HZ1" 1 0 1 1 105.46 983 + 984 44 5.470000 -15.128000 9.334000 62 K A 2 "LYS " " HZ2" 1 0 1 1 105.46 984 + 985 44 6.949000 -14.472000 9.665000 62 K A 2 "LYS " " HZ3" 1 0 1 1 105.46 985 + 986 25 4.128000 -21.509000 9.631000 63 N A 2 "ASN " " N " 7 0 0 1 58.1 986 + 987 3 3.227000 -21.571000 10.790000 63 N A 2 "ASN " " CA " 6 0 0 1 60.63 987 + 988 2 3.241000 -22.925000 11.531000 63 N A 2 "ASN " " C " 6 0 0 1 61.81 988 + 989 15 2.656000 -23.000000 12.609000 63 N A 2 "ASN " " O " 8 0 0 1 68.44 989 + 990 3 1.784000 -21.206000 10.354000 63 N A 2 "ASN " " CB " 6 0 0 1 60.33 990 + 991 2 1.575000 -19.776000 9.831000 63 N A 2 "ASN " " CG " 6 0 0 1 68.86 991 + 992 15 0.616000 -19.529000 9.104000 63 N A 2 "ASN " " OD1" 8 0 0 1 74.65 992 + 993 25 2.435000 -18.822000 10.198000 63 N A 2 "ASN " " ND2" 7 0 0 1 72.57 993 + 994 43 3.681000 -21.432000 8.726000 63 N A 2 "ASN " " H " 1 0 0 1 58.1 994 + 995 41 3.580000 -20.826000 11.506000 63 N A 2 "ASN " " HA " 1 0 0 1 60.63 995 + 996 41 1.103000 -21.318000 11.199000 63 N A 2 "ASN " " HB3" 1 0 0 1 60.33 996 + 997 41 1.440000 -21.909000 9.593000 63 N A 2 "ASN " " HB2" 1 0 0 1 60.33 997 + 998 43 2.299000 -17.876000 9.875000 63 N A 2 "ASN " "HD22" 1 0 0 1 72.57 998 + 999 43 3.214000 -19.038000 10.803000 63 N A 2 "ASN " "HD21" 1 0 0 1 72.57 999 + 1000 25 3.917000 -23.946000 10.975000 64 S A 2 "SER " " N " 7 0 0 1 62.09 1000 + 1001 3 4.135000 -25.249000 11.606000 64 S A 2 "SER " " CA " 6 0 0 1 60.92 1001 + 1002 2 5.561000 -25.419000 12.174000 64 S A 2 "SER " " C " 6 0 0 1 51.33 1002 + 1003 15 5.835000 -26.471000 12.754000 64 S A 2 "SER " " O " 8 0 0 1 55.98 1003 + 1004 3 3.803000 -26.356000 10.583000 64 S A 2 "SER " " CB " 6 0 0 1 58.26 1004 + 1005 16 2.402000 -26.510000 10.482000 64 S A 2 "SER " " OG " 8 0 0 1 77.09 1005 + 1006 43 4.364000 -23.811000 10.079000 64 S A 2 "SER " " H " 1 0 0 1 62.09 1006 + 1007 41 3.469000 -25.364000 12.463000 64 S A 2 "SER " " HA " 1 0 0 1 60.92 1007 + 1008 41 4.207000 -27.322000 10.889000 64 S A 2 "SER " " HB3" 1 0 0 1 58.26 1008 + 1009 41 4.223000 -26.136000 9.601000 64 S A 2 "SER " " HB2" 1 0 0 1 58.26 1009 + 1010 42 2.057000 -25.774000 9.969000 64 S A 2 "SER " " HG " 1 0 0 1 77.09 1010 + 1011 25 6.435000 -24.412000 12.003000 65 L A 2 "LEU " " N " 7 0 0 1 59.38 1011 + 1012 3 7.854000 -24.465000 12.370000 65 L A 2 "LEU " " CA " 6 0 0 1 62.67 1012 + 1013 2 8.289000 -23.332000 13.308000 65 L A 2 "LEU " " C " 6 0 0 1 65.96 1013 + 1014 15 9.361000 -23.443000 13.904000 65 L A 2 "LEU " " O " 8 0 0 1 71.11 1014 + 1015 3 8.695000 -24.394000 11.083000 65 L A 2 "LEU " " CB " 6 0 0 1 54.04 1015 + 1016 3 8.619000 -25.658000 10.213000 65 L A 2 "LEU " " CG " 6 0 0 1 49.38 1016 + 1017 3 9.248000 -25.377000 8.847000 65 L A 2 "LEU " " CD1" 6 0 0 1 58.12 1017 + 1018 3 9.273000 -26.867000 10.902000 65 L A 2 "LEU " " CD2" 6 0 0 1 56.73 1018 + 1019 43 6.138000 -23.579000 11.511000 65 L A 2 "LEU " " H " 1 0 0 1 59.38 1019 + 1020 41 8.077000 -25.389000 12.904000 65 L A 2 "LEU " " HA " 1 0 0 1 62.67 1020 + 1021 41 9.741000 -24.215000 11.328000 65 L A 2 "LEU " " HB3" 1 0 0 1 54.04 1021 + 1022 41 8.377000 -23.528000 10.499000 65 L A 2 "LEU " " HB2" 1 0 0 1 54.04 1022 + 1023 41 7.574000 -25.910000 10.035000 65 L A 2 "LEU " " HG " 1 0 0 1 49.38 1023 + 1024 41 9.490000 -26.293000 8.309000 65 L A 2 "LEU " "HD11" 1 0 0 1 58.12 1024 + 1025 41 8.567000 -24.805000 8.226000 65 L A 2 "LEU " "HD12" 1 0 0 1 58.12 1025 + 1026 41 10.150000 -24.778000 8.952000 65 L A 2 "LEU " "HD13" 1 0 0 1 58.12 1026 + 1027 41 10.087000 -27.273000 10.304000 65 L A 2 "LEU " "HD21" 1 0 0 1 56.73 1027 + 1028 41 9.703000 -26.618000 11.872000 65 L A 2 "LEU " "HD22" 1 0 0 1 56.73 1028 + 1029 41 8.542000 -27.659000 11.061000 65 L A 2 "LEU " "HD23" 1 0 0 1 56.73 1029 + 1030 25 7.481000 -22.271000 13.424000 66 T A 2 "THR " " N " 7 0 0 1 58.9 1030 + 1031 3 7.788000 -21.129000 14.272000 66 T A 2 "THR " " CA " 6 0 0 1 66.12 1031 + 1032 2 6.495000 -20.425000 14.706000 66 T A 2 "THR " " C " 6 0 0 1 70.48 1032 + 1033 15 5.463000 -20.525000 14.038000 66 T A 2 "THR " " O " 8 0 0 1 68.84 1033 + 1034 3 8.763000 -20.129000 13.572000 66 T A 2 "THR " " CB " 6 0 0 1 66.05 1034 + 1035 16 9.189000 -19.111000 14.457000 66 T A 2 "THR " " OG1" 8 0 0 1 61.59 1035 + 1036 3 8.206000 -19.424000 12.321000 66 T A 2 "THR " " CG2" 6 0 0 1 61.41 1036 + 1037 43 6.618000 -22.218000 12.899000 66 T A 2 "THR " " H " 1 0 0 1 58.9 1037 + 1038 41 8.262000 -21.501000 15.183000 66 T A 2 "THR " " HA " 1 0 0 1 66.12 1038 + 1039 41 9.664000 -20.671000 13.281000 66 T A 2 "THR " " HB " 1 0 0 1 66.05 1039 + 1040 42 9.655000 -18.442000 13.950000 66 T A 2 "THR " " HG1" 1 0 0 1 61.59 1040 + 1041 41 8.928000 -18.712000 11.919000 66 T A 2 "THR " "HG21" 1 0 0 1 61.41 1041 + 1042 41 8.014000 -20.150000 11.533000 66 T A 2 "THR " "HG22" 1 0 0 1 61.41 1042 + 1043 41 7.283000 -18.880000 12.518000 66 T A 2 "THR " "HG23" 1 0 0 1 61.41 1043 + 1044 25 6.610000 -19.717000 15.833000 67 S A 2 "SER " " N " 7 0 0 1 78.41 1044 + 1045 3 5.601000 -18.835000 16.390000 67 S A 2 "SER " " CA " 6 0 0 1 81.01 1045 + 1046 2 6.315000 -17.607000 16.970000 67 S A 2 "SER " " C " 6 0 0 1 85.89 1046 + 1047 15 7.533000 -17.616000 17.164000 67 S A 2 "SER " " O " 8 0 0 1 88.19 1047 + 1048 3 4.779000 -19.616000 17.436000 67 S A 2 "SER " " CB " 6 0 0 1 78.47 1048 + 1049 16 3.741000 -18.840000 18.004000 67 S A 2 "SER " " OG " 8 0 0 1 76.75 1049 + 1050 43 7.509000 -19.675000 16.292000 67 S A 2 "SER " " H " 1 0 0 1 78.41 1050 + 1051 41 4.938000 -18.488000 15.595000 67 S A 2 "SER " " HA " 1 0 0 1 81.01 1051 + 1052 41 5.424000 -19.976000 18.238000 67 S A 2 "SER " " HB3" 1 0 0 1 78.47 1052 + 1053 41 4.328000 -20.493000 16.970000 67 S A 2 "SER " " HB2" 1 0 0 1 78.47 1053 + 1054 42 3.252000 -19.390000 18.621000 67 S A 2 "SER " " HG " 1 0 0 1 76.75 1054 + 1055 25 5.525000 -16.563000 17.238000 68 K A 2 "LYS " " N " 7 0 0 1 89.53 1055 + 1056 3 5.974000 -15.336000 17.894000 68 K A 2 "LYS " " CA " 6 0 0 1 87.17 1056 + 1057 2 6.096000 -15.541000 19.416000 68 K A 2 "LYS " " C " 6 0 0 1 87.61 1057 + 1058 15 6.941000 -14.901000 20.038000 68 K A 2 "LYS " " O " 8 0 0 1 92.45 1058 + 1059 3 5.004000 -14.191000 17.532000 68 K A 2 "LYS " " CB " 6 0 0 1 87 1059 + 1060 3 4.717000 -14.137000 16.017000 68 K A 2 "LYS " " CG " 6 0 0 1 98.84 1060 + 1061 3 4.015000 -12.864000 15.539000 68 K A 2 "LYS " " CD " 6 0 0 1 108.4 1061 + 1062 3 3.628000 -12.974000 14.057000 68 K A 2 "LYS " " CE " 6 0 0 1 111.02 1062 + 1063 32 3.125000 -11.696000 13.531000 68 K A 2 "LYS " " NZ " 7 1 0 1 111.13 1063 + 1064 43 4.533000 -16.638000 17.062000 68 K A 2 "LYS " " H " 1 0 0 1 89.53 1064 + 1065 41 6.964000 -15.073000 17.514000 68 K A 2 "LYS " " HA " 1 0 0 1 87.17 1065 + 1066 41 5.428000 -13.245000 17.871000 68 K A 2 "LYS " " HB3" 1 0 0 1 87 1066 + 1067 41 4.058000 -14.312000 18.061000 68 K A 2 "LYS " " HB2" 1 0 0 1 87 1067 + 1068 41 4.098000 -14.990000 15.738000 68 K A 2 "LYS " " HG3" 1 0 0 1 98.84 1068 + 1069 41 5.654000 -14.250000 15.470000 68 K A 2 "LYS " " HG2" 1 0 0 1 98.84 1069 + 1070 41 4.678000 -12.010000 15.690000 68 K A 2 "LYS " " HD3" 1 0 0 1 108.4 1070 + 1071 41 3.128000 -12.680000 16.146000 68 K A 2 "LYS " " HD2" 1 0 0 1 108.4 1071 + 1072 41 2.865000 -13.742000 13.920000 68 K A 2 "LYS " " HE3" 1 0 0 1 111.02 1072 + 1073 41 4.492000 -13.268000 13.460000 68 K A 2 "LYS " " HE2" 1 0 0 1 111.02 1073 + 1074 44 3.843000 -10.990000 13.614000 68 K A 2 "LYS " " HZ1" 1 0 0 1 111.13 1074 + 1075 44 2.871000 -11.803000 12.559000 68 K A 2 "LYS " " HZ2" 1 0 0 1 111.13 1075 + 1076 44 2.313000 -11.410000 14.059000 68 K A 2 "LYS " " HZ3" 1 0 0 1 111.13 1076 + 1077 25 5.288000 -16.473000 19.957000 69 D A 2 "ASP " " N " 7 0 0 1 85.46 1077 + 1078 3 5.336000 -17.003000 21.318000 69 D A 2 "ASP " " CA " 6 0 0 1 87.55 1078 + 1079 2 6.534000 -17.981000 21.413000 69 D A 2 "ASP " " C " 6 0 0 1 89.54 1079 + 1080 15 6.495000 -19.007000 20.731000 69 D A 2 "ASP " " O " 8 0 0 1 99.61 1080 + 1081 3 3.987000 -17.710000 21.615000 69 D A 2 "ASP " " CB " 6 0 0 1 90.36 1081 + 1082 2 3.800000 -18.269000 23.034000 69 D A 2 "ASP " " CG " 6 0 0 1 93.17 1082 + 1083 15 4.795000 -18.387000 23.782000 69 D A 2 "ASP " " OD1" 8 0 0 1 92.94 1083 + 1084 18 2.639000 -18.622000 23.331000 69 D A 2 "ASP " " OD2" 8 -1 0 1 89.89 1084 + 1085 43 4.643000 -16.951000 19.344000 69 D A 2 "ASP " " H " 1 0 0 1 85.46 1085 + 1086 41 5.411000 -16.165000 22.008000 69 D A 2 "ASP " " HA " 1 0 0 1 87.55 1086 + 1087 41 3.838000 -18.526000 20.909000 69 D A 2 "ASP " " HB3" 1 0 0 1 90.36 1087 + 1088 41 3.188000 -16.987000 21.447000 69 D A 2 "ASP " " HB2" 1 0 0 1 90.36 1088 + 1089 25 7.561000 -17.669000 22.245000 70 P A 2 "PRO " " N " 7 0 0 1 85.18 1089 + 1090 3 8.729000 -18.551000 22.460000 70 P A 2 "PRO " " CA " 6 0 0 1 81.67 1090 + 1091 2 8.439000 -19.996000 22.909000 70 P A 2 "PRO " " C " 6 0 0 1 82.07 1091 + 1092 15 9.166000 -20.895000 22.483000 70 P A 2 "PRO " " O " 8 0 0 1 74.97 1092 + 1093 3 9.575000 -17.809000 23.509000 70 P A 2 "PRO " " CB " 6 0 0 1 85.55 1093 + 1094 3 9.200000 -16.351000 23.333000 70 P A 2 "PRO " " CG " 6 0 0 1 92.68 1094 + 1095 3 7.717000 -16.425000 23.004000 70 P A 2 "PRO " " CD " 6 0 0 1 88.22 1095 + 1096 41 9.279000 -18.576000 21.518000 70 P A 2 "PRO " " HA " 1 0 0 1 81.67 1096 + 1097 41 10.644000 -17.978000 23.383000 70 P A 2 "PRO " " HB3" 1 0 0 1 85.55 1097 + 1098 41 9.308000 -18.127000 24.519000 70 P A 2 "PRO " " HB2" 1 0 0 1 85.55 1098 + 1099 41 9.741000 -15.937000 22.480000 70 P A 2 "PRO " " HG3" 1 0 0 1 92.68 1099 + 1100 41 9.420000 -15.734000 24.205000 70 P A 2 "PRO " " HG2" 1 0 0 1 92.68 1100 + 1101 41 7.120000 -16.494000 23.914000 70 P A 2 "PRO " " HD2" 1 0 0 1 88.22 1101 + 1102 41 7.419000 -15.528000 22.465000 70 P A 2 "PRO " " HD3" 1 0 0 1 88.22 1102 + 1103 25 7.393000 -20.200000 23.732000 71 D A 2 "ASP " " N " 7 0 0 1 84.59 1103 + 1104 3 6.974000 -21.524000 24.211000 71 D A 2 "ASP " " CA " 6 0 0 1 89.23 1104 + 1105 2 6.400000 -22.401000 23.089000 71 D A 2 "ASP " " C " 6 0 0 1 87.36 1105 + 1106 15 6.767000 -23.572000 23.009000 71 D A 2 "ASP " " O " 8 0 0 1 85.79 1106 + 1107 3 6.006000 -21.489000 25.420000 71 D A 2 "ASP " " CB " 6 0 0 1 100.13 1107 + 1108 2 6.515000 -20.723000 26.648000 71 D A 2 "ASP " " CG " 6 0 0 1 108 1108 + 1109 15 7.740000 -20.487000 26.737000 71 D A 2 "ASP " " OD1" 8 0 0 1 104.75 1109 + 1110 18 5.668000 -20.465000 27.531000 71 D A 2 "ASP " " OD2" 8 -1 0 1 118.07 1110 + 1111 43 6.826000 -19.419000 24.035000 71 D A 2 "ASP " " H " 1 0 0 1 84.59 1111 + 1112 41 7.881000 -22.028000 24.554000 71 D A 2 "ASP " " HA " 1 0 0 1 89.23 1112 + 1113 41 5.781000 -22.509000 25.733000 71 D A 2 "ASP " " HB3" 1 0 0 1 100.13 1113 + 1114 41 5.073000 -21.023000 25.100000 71 D A 2 "ASP " " HB2" 1 0 0 1 100.13 1114 + 1115 25 5.549000 -21.819000 22.224000 72 I A 2 "ILE " " N " 7 0 1 1 83.15 1115 + 1116 3 4.993000 -22.499000 21.049000 72 I A 2 "ILE " " CA " 6 0 1 1 73.62 1116 + 1117 2 6.057000 -22.728000 19.955000 72 I A 2 "ILE " " C " 6 0 1 1 69.11 1117 + 1118 15 6.027000 -23.777000 19.314000 72 I A 2 "ILE " " O " 8 0 1 1 69.38 1118 + 1119 3 3.787000 -21.731000 20.430000 72 I A 2 "ILE " " CB " 6 0 1 1 73.09 1119 + 1120 3 2.630000 -21.612000 21.447000 72 I A 2 "ILE " " CG1" 6 0 1 1 71.51 1120 + 1121 3 3.254000 -22.351000 19.116000 72 I A 2 "ILE " " CG2" 6 0 1 1 75.41 1121 + 1122 3 1.480000 -20.706000 20.982000 72 I A 2 "ILE " " CD1" 6 0 1 1 62.84 1122 + 1123 43 5.293000 -20.849000 22.353000 72 I A 2 "ILE " " H " 1 0 1 1 83.15 1123 + 1124 41 4.633000 -23.477000 21.373000 72 I A 2 "ILE " " HA " 1 0 1 1 73.62 1124 + 1125 41 4.127000 -20.721000 20.204000 72 I A 2 "ILE " " HB " 1 0 1 1 73.09 1125 + 1126 41 2.998000 -21.231000 22.399000 72 I A 2 "ILE " "HG13" 1 0 1 1 71.51 1126 + 1127 41 2.236000 -22.606000 21.663000 72 I A 2 "ILE " "HG12" 1 0 1 1 71.51 1127 + 1128 41 2.406000 -21.796000 18.717000 72 I A 2 "ILE " "HG21" 1 0 1 1 75.41 1128 + 1129 41 3.997000 -22.362000 18.322000 72 I A 2 "ILE " "HG22" 1 0 1 1 75.41 1129 + 1130 41 2.927000 -23.379000 19.275000 72 I A 2 "ILE " "HG23" 1 0 1 1 75.41 1130 + 1131 41 0.948000 -20.288000 21.837000 72 I A 2 "ILE " "HD11" 1 0 1 1 62.84 1131 + 1132 41 1.839000 -19.870000 20.382000 72 I A 2 "ILE " "HD12" 1 0 1 1 62.84 1132 + 1133 41 0.755000 -21.262000 20.387000 72 I A 2 "ILE " "HD13" 1 0 1 1 62.84 1133 + 1134 25 6.986000 -21.768000 19.779000 73 K A 2 "LYS " " N " 7 0 1 1 60.21 1134 + 1135 3 8.113000 -21.865000 18.848000 73 K A 2 "LYS " " CA " 6 0 1 1 58.84 1135 + 1136 2 9.002000 -23.079000 19.154000 73 K A 2 "LYS " " C " 6 0 1 1 60.5 1136 + 1137 15 9.269000 -23.858000 18.243000 73 K A 2 "LYS " " O " 8 0 1 1 53.99 1137 + 1138 3 8.906000 -20.539000 18.827000 73 K A 2 "LYS " " CB " 6 0 1 1 63.39 1138 + 1139 3 10.134000 -20.538000 17.892000 73 K A 2 "LYS " " CG " 6 0 1 1 52.53 1139 + 1140 3 10.832000 -19.172000 17.813000 73 K A 2 "LYS " " CD " 6 0 1 1 59.53 1140 + 1141 3 12.097000 -19.212000 16.942000 73 K A 2 "LYS " " CE " 6 0 1 1 73.76 1141 + 1142 32 12.756000 -17.896000 16.873000 73 K A 2 "LYS " " NZ " 7 1 1 1 74.98 1142 + 1143 43 6.937000 -20.923000 20.333000 73 K A 2 "LYS " " H " 1 0 1 1 60.21 1143 + 1144 41 7.688000 -22.011000 17.852000 73 K A 2 "LYS " " HA " 1 0 1 1 58.84 1144 + 1145 41 9.236000 -20.296000 19.836000 73 K A 2 "LYS " " HB3" 1 0 1 1 63.39 1145 + 1146 41 8.231000 -19.737000 18.532000 73 K A 2 "LYS " " HB2" 1 0 1 1 63.39 1146 + 1147 41 9.831000 -20.849000 16.892000 73 K A 2 "LYS " " HG3" 1 0 1 1 52.53 1147 + 1148 41 10.860000 -21.275000 18.234000 73 K A 2 "LYS " " HG2" 1 0 1 1 52.53 1148 + 1149 41 11.086000 -18.836000 18.819000 73 K A 2 "LYS " " HD3" 1 0 1 1 59.53 1149 + 1150 41 10.136000 -18.436000 17.410000 73 K A 2 "LYS " " HD2" 1 0 1 1 59.53 1150 + 1151 41 11.851000 -19.537000 15.929000 73 K A 2 "LYS " " HE3" 1 0 1 1 73.76 1151 + 1152 41 12.809000 -19.930000 17.349000 73 K A 2 "LYS " " HE2" 1 0 1 1 73.76 1152 + 1153 44 13.585000 -17.956000 16.297000 73 K A 2 "LYS " " HZ1" 1 0 1 1 74.98 1153 + 1154 44 12.121000 -17.220000 16.473000 73 K A 2 "LYS " " HZ2" 1 0 1 1 74.98 1154 + 1155 44 13.018000 -17.600000 17.802000 73 K A 2 "LYS " " HZ3" 1 0 1 1 74.98 1155 + 1156 25 9.377000 -23.246000 20.435000 74 A A 2 "ALA " " N " 7 0 1 1 66.06 1156 + 1157 3 10.115000 -24.403000 20.939000 74 A A 2 "ALA " " CA " 6 0 1 1 63.03 1157 + 1158 2 9.370000 -25.731000 20.726000 74 A A 2 "ALA " " C " 6 0 1 1 67.26 1158 + 1159 15 9.990000 -26.668000 20.231000 74 A A 2 "ALA " " O " 8 0 1 1 70.81 1159 + 1160 3 10.463000 -24.189000 22.419000 74 A A 2 "ALA " " CB " 6 0 1 1 58.12 1160 + 1161 43 9.108000 -22.557000 21.126000 74 A A 2 "ALA " " H " 1 0 1 1 66.06 1161 + 1162 41 11.053000 -24.455000 20.380000 74 A A 2 "ALA " " HA " 1 0 1 1 63.03 1162 + 1163 41 11.029000 -25.031000 22.819000 74 A A 2 "ALA " " HB1" 1 0 1 1 58.12 1163 + 1164 41 11.071000 -23.294000 22.551000 74 A A 2 "ALA " " HB2" 1 0 1 1 58.12 1164 + 1165 41 9.566000 -24.070000 23.029000 74 A A 2 "ALA " " HB3" 1 0 1 1 58.12 1165 + 1166 25 8.058000 -25.775000 21.033000 75 Q A 2 "GLN " " N " 7 0 1 1 67.27 1166 + 1167 3 7.185000 -26.932000 20.786000 75 Q A 2 "GLN " " CA " 6 0 1 1 71.59 1167 + 1168 2 7.152000 -27.390000 19.319000 75 Q A 2 "GLN " " C " 6 0 1 1 74.65 1168 + 1169 15 7.256000 -28.589000 19.076000 75 Q A 2 "GLN " " O " 8 0 1 1 81.22 1169 + 1170 3 5.747000 -26.654000 21.265000 75 Q A 2 "GLN " " CB " 6 0 1 1 76.92 1170 + 1171 3 5.558000 -26.691000 22.789000 75 Q A 2 "GLN " " CG " 6 0 1 1 95.74 1171 + 1172 2 4.135000 -26.277000 23.170000 75 Q A 2 "GLN " " CD " 6 0 1 1 106.15 1172 + 1173 15 3.164000 -26.817000 22.642000 75 Q A 2 "GLN " " OE1" 8 0 1 1 107.49 1173 + 1174 25 4.002000 -25.324000 24.094000 75 Q A 2 "GLN " " NE2" 7 0 1 1 107.93 1174 + 1175 43 7.615000 -24.959000 21.434000 75 Q A 2 "GLN " " H " 1 0 1 1 67.27 1175 + 1176 41 7.584000 -27.762000 21.372000 75 Q A 2 "GLN " " HA " 1 0 1 1 71.59 1176 + 1177 41 5.070000 -27.390000 20.826000 75 Q A 2 "GLN " " HB3" 1 0 1 1 76.92 1177 + 1178 41 5.416000 -25.691000 20.881000 75 Q A 2 "GLN " " HB2" 1 0 1 1 76.92 1178 + 1179 41 6.284000 -26.047000 23.283000 75 Q A 2 "GLN " " HG3" 1 0 1 1 95.74 1179 + 1180 41 5.739000 -27.699000 23.163000 75 Q A 2 "GLN " " HG2" 1 0 1 1 95.74 1180 + 1181 43 3.083000 -25.020000 24.379000 75 Q A 2 "GLN " "HE22" 1 0 1 1 107.93 1181 + 1182 43 4.818000 -24.891000 24.502000 75 Q A 2 "GLN " "HE21" 1 0 1 1 107.93 1182 + 1183 25 7.029000 -26.435000 18.381000 76 Y A 2 "TYR " " N " 7 0 1 1 72.18 1183 + 1184 3 7.024000 -26.681000 16.937000 76 Y A 2 "TYR " " CA " 6 0 1 1 66.94 1184 + 1185 2 8.379000 -27.159000 16.402000 76 Y A 2 "TYR " " C " 6 0 1 1 65.25 1185 + 1186 15 8.393000 -28.040000 15.545000 76 Y A 2 "TYR " " O " 8 0 1 1 69.93 1186 + 1187 3 6.576000 -25.411000 16.187000 76 Y A 2 "TYR " " CB " 6 0 1 1 70.35 1187 + 1188 2 5.114000 -25.001000 16.288000 76 Y A 2 "TYR " " CG " 6 0 1 1 69.09 1188 + 1189 2 4.141000 -25.793000 16.943000 76 Y A 2 "TYR " " CD1" 6 0 1 1 58.06 1189 + 1190 2 4.720000 -23.795000 15.674000 76 Y A 2 "TYR " " CD2" 6 0 1 1 74.13 1190 + 1191 2 2.794000 -25.383000 16.970000 76 Y A 2 "TYR " " CE1" 6 0 1 1 61.79 1191 + 1192 2 3.375000 -23.383000 15.705000 76 Y A 2 "TYR " " CE2" 6 0 1 1 68.66 1192 + 1193 2 2.410000 -24.182000 16.347000 76 Y A 2 "TYR " " CZ " 6 0 1 1 64.84 1193 + 1194 16 1.104000 -23.789000 16.373000 76 Y A 2 "TYR " " OH " 8 0 1 1 72.11 1194 + 1195 43 6.928000 -25.470000 18.669000 76 Y A 2 "TYR " " H " 1 0 1 1 72.18 1195 + 1196 41 6.315000 -27.482000 16.728000 76 Y A 2 "TYR " " HA " 1 0 1 1 66.94 1196 + 1197 41 6.768000 -25.543000 15.122000 76 Y A 2 "TYR " " HB3" 1 0 1 1 70.35 1197 + 1198 41 7.193000 -24.564000 16.492000 76 Y A 2 "TYR " " HB2" 1 0 1 1 70.35 1198 + 1199 41 4.399000 -26.720000 17.430000 76 Y A 2 "TYR " " HD1" 1 0 1 1 58.06 1199 + 1200 41 5.451000 -23.184000 15.168000 76 Y A 2 "TYR " " HD2" 1 0 1 1 74.13 1200 + 1201 41 2.057000 -25.994000 17.469000 76 Y A 2 "TYR " " HE1" 1 0 1 1 61.79 1201 + 1202 41 3.091000 -22.455000 15.230000 76 Y A 2 "TYR " " HE2" 1 0 1 1 68.66 1202 + 1203 42 0.948000 -22.967000 15.903000 76 Y A 2 "TYR " " HH " 1 0 1 1 72.11 1203 + 1204 25 9.480000 -26.599000 16.928000 77 Q A 2 "GLN " " N " 7 0 1 1 57.55 1204 + 1205 3 10.847000 -27.010000 16.610000 77 Q A 2 "GLN " " CA " 6 0 1 1 59.66 1205 + 1206 2 11.174000 -28.430000 17.103000 77 Q A 2 "GLN " " C " 6 0 1 1 64.42 1206 + 1207 15 11.820000 -29.173000 16.369000 77 Q A 2 "GLN " " O " 8 0 1 1 61.88 1207 + 1208 3 11.840000 -25.977000 17.168000 77 Q A 2 "GLN " " CB " 6 0 1 1 44.83 1208 + 1209 3 11.802000 -24.641000 16.403000 77 Q A 2 "GLN " " CG " 6 0 1 1 58.59 1209 + 1210 2 12.678000 -23.558000 17.031000 77 Q A 2 "GLN " " CD " 6 0 1 1 64.23 1210 + 1211 15 13.067000 -23.634000 18.194000 77 Q A 2 "GLN " " OE1" 8 0 1 1 69.06 1211 + 1212 25 12.976000 -22.520000 16.252000 77 Q A 2 "GLN " " NE2" 7 0 1 1 74.06 1212 + 1213 43 9.386000 -25.862000 17.615000 77 Q A 2 "GLN " " H " 1 0 1 1 57.55 1213 + 1214 41 10.946000 -27.019000 15.523000 77 Q A 2 "GLN " " HA " 1 0 1 1 59.66 1214 + 1215 41 12.856000 -26.375000 17.123000 77 Q A 2 "GLN " " HB3" 1 0 1 1 44.83 1215 + 1216 41 11.625000 -25.813000 18.225000 77 Q A 2 "GLN " " HB2" 1 0 1 1 44.83 1216 + 1217 41 10.786000 -24.258000 16.330000 77 Q A 2 "GLN " " HG3" 1 0 1 1 58.59 1217 + 1218 41 12.124000 -24.797000 15.375000 77 Q A 2 "GLN " " HG2" 1 0 1 1 58.59 1218 + 1219 43 13.571000 -21.786000 16.605000 77 Q A 2 "GLN " "HE22" 1 0 1 1 74.06 1219 + 1220 43 12.633000 -22.479000 15.303000 77 Q A 2 "GLN " "HE21" 1 0 1 1 74.06 1220 + 1221 25 10.680000 -28.797000 18.299000 78 Q A 2 "GLN " " N " 7 0 1 1 61.31 1221 + 1222 3 10.777000 -30.150000 18.851000 78 Q A 2 "GLN " " CA " 6 0 1 1 68.58 1222 + 1223 2 9.894000 -31.163000 18.113000 78 Q A 2 "GLN " " C " 6 0 1 1 66.01 1223 + 1224 15 10.368000 -32.261000 17.826000 78 Q A 2 "GLN " " O " 8 0 1 1 66.36 1224 + 1225 3 10.454000 -30.142000 20.364000 78 Q A 2 "GLN " " CB " 6 0 1 1 69.82 1225 + 1226 3 11.507000 -29.455000 21.257000 78 Q A 2 "GLN " " CG " 6 0 1 1 78.51 1226 + 1227 2 12.920000 -30.005000 21.063000 78 Q A 2 "GLN " " CD " 6 0 1 1 90.47 1227 + 1228 15 13.164000 -31.189000 21.279000 78 Q A 2 "GLN " " OE1" 8 0 1 1 106.66 1228 + 1229 25 13.854000 -29.147000 20.647000 78 Q A 2 "GLN " " NE2" 7 0 1 1 91.43 1229 + 1230 43 10.176000 -28.120000 18.858000 78 Q A 2 "GLN " " H " 1 0 1 1 61.31 1230 + 1231 41 11.802000 -30.491000 18.700000 78 Q A 2 "GLN " " HA " 1 0 1 1 68.58 1231 + 1232 41 10.337000 -31.170000 20.712000 78 Q A 2 "GLN " " HB3" 1 0 1 1 69.82 1232 + 1233 41 9.486000 -29.667000 20.530000 78 Q A 2 "GLN " " HB2" 1 0 1 1 69.82 1233 + 1234 41 11.231000 -29.572000 22.305000 78 Q A 2 "GLN " " HG3" 1 0 1 1 78.51 1234 + 1235 41 11.523000 -28.384000 21.068000 78 Q A 2 "GLN " " HG2" 1 0 1 1 78.51 1235 + 1236 43 14.801000 -29.464000 20.505000 78 Q A 2 "GLN " "HE22" 1 0 1 1 91.43 1236 + 1237 43 13.622000 -28.179000 20.473000 78 Q A 2 "GLN " "HE21" 1 0 1 1 91.43 1237 + 1238 25 8.651000 -30.762000 17.789000 79 R A 2 "ARG " " N " 7 0 1 1 59.01 1238 + 1239 3 7.701000 -31.537000 16.990000 79 R A 2 "ARG " " CA " 6 0 1 1 59.83 1239 + 1240 2 8.253000 -31.851000 15.594000 79 R A 2 "ARG " " C " 6 0 1 1 61.26 1240 + 1241 15 8.118000 -32.992000 15.163000 79 R A 2 "ARG " " O " 8 0 1 1 55.78 1241 + 1242 3 6.348000 -30.798000 16.930000 79 R A 2 "ARG " " CB " 6 0 1 1 48.66 1242 + 1243 3 5.246000 -31.518000 16.126000 79 R A 2 "ARG " " CG " 6 0 1 1 43.27 1243 + 1244 3 3.946000 -30.710000 16.032000 79 R A 2 "ARG " " CD " 6 0 1 1 47.28 1244 + 1245 25 4.099000 -29.538000 15.157000 79 R A 2 "ARG " " NE " 7 0 1 1 49.3 1245 + 1246 2 3.096000 -28.781000 14.683000 79 R A 2 "ARG " " CZ " 6 0 1 1 56.62 1246 + 1247 25 1.815000 -29.057000 14.968000 79 R A 2 "ARG " " NH1" 7 0 1 1 57.89 1247 + 1248 31 3.378000 -27.732000 13.904000 79 R A 2 "ARG " " NH2" 7 1 1 1 61.51 1248 + 1249 43 8.333000 -29.850000 18.090000 79 R A 2 "ARG " " H " 1 0 1 1 59.01 1249 + 1250 41 7.545000 -32.484000 17.510000 79 R A 2 "ARG " " HA " 1 0 1 1 59.83 1250 + 1251 41 6.504000 -29.805000 16.511000 79 R A 2 "ARG " " HB3" 1 0 1 1 48.66 1251 + 1252 41 5.986000 -30.646000 17.947000 79 R A 2 "ARG " " HB2" 1 0 1 1 48.66 1252 + 1253 41 5.049000 -32.521000 16.507000 79 R A 2 "ARG " " HG3" 1 0 1 1 43.27 1253 + 1254 41 5.607000 -31.654000 15.107000 79 R A 2 "ARG " " HG2" 1 0 1 1 43.27 1254 + 1255 41 3.695000 -30.304000 17.013000 79 R A 2 "ARG " " HD3" 1 0 1 1 47.28 1255 + 1256 41 3.117000 -31.355000 15.738000 79 R A 2 "ARG " " HD2" 1 0 1 1 47.28 1256 + 1257 43 5.048000 -29.274000 14.932000 79 R A 2 "ARG " " HE " 1 0 1 1 49.3 1257 + 1258 43 1.069000 -28.489000 14.593000 79 R A 2 "ARG " "HH12" 1 0 1 1 57.89 1258 + 1259 43 1.586000 -29.854000 15.543000 79 R A 2 "ARG " "HH11" 1 0 1 1 57.89 1259 + 1260 44 2.634000 -27.160000 13.530000 79 R A 2 "ARG " "HH22" 1 0 1 1 61.51 1260 + 1261 44 4.337000 -27.502000 13.672000 79 R A 2 "ARG " "HH21" 1 0 1 1 61.51 1261 + 1262 25 8.904000 -30.857000 14.960000 80 W A 2 "TRP " " N " 7 0 1 1 57.65 1262 + 1263 3 9.659000 -31.004000 13.720000 80 W A 2 "TRP " " CA " 6 0 1 1 53.39 1263 + 1264 2 10.791000 -32.030000 13.850000 80 W A 2 "TRP " " C " 6 0 1 1 53.85 1264 + 1265 15 10.731000 -33.036000 13.155000 80 W A 2 "TRP " " O " 8 0 1 1 64.21 1265 + 1266 3 10.142000 -29.635000 13.199000 80 W A 2 "TRP " " CB " 6 0 1 1 39.42 1266 + 1267 2 11.106000 -29.676000 12.046000 80 W A 2 "TRP " " CG " 6 0 1 1 40.63 1267 + 1268 2 12.450000 -29.624000 12.172000 80 W A 2 "TRP " " CD1" 6 0 1 1 38.62 1268 + 1269 2 10.846000 -29.893000 10.622000 80 W A 2 "TRP " " CD2" 6 0 1 1 45.47 1269 + 1270 25 13.032000 -29.776000 10.936000 80 W A 2 "TRP " " NE1" 7 0 1 1 48.33 1270 + 1271 2 12.098000 -29.933000 9.940000 80 W A 2 "TRP " " CE2" 6 0 1 1 51.89 1271 + 1272 2 9.687000 -30.064000 9.827000 80 W A 2 "TRP " " CE3" 6 0 1 1 45.35 1272 + 1273 2 12.203000 -30.125000 8.553000 80 W A 2 "TRP " " CZ2" 6 0 1 1 44.57 1273 + 1274 2 9.776000 -30.233000 8.429000 80 W A 2 "TRP " " CZ3" 6 0 1 1 52.54 1274 + 1275 2 11.032000 -30.267000 7.793000 80 W A 2 "TRP " " CH2" 6 0 1 1 46.1 1275 + 1276 43 8.943000 -29.943000 15.391000 80 W A 2 "TRP " " H " 1 0 1 1 57.65 1276 + 1277 41 8.972000 -31.397000 12.971000 80 W A 2 "TRP " " HA " 1 0 1 1 53.39 1277 + 1278 41 10.621000 -29.079000 14.004000 80 W A 2 "TRP " " HB3" 1 0 1 1 39.42 1278 + 1279 41 9.278000 -29.040000 12.903000 80 W A 2 "TRP " " HB2" 1 0 1 1 39.42 1279 + 1280 41 12.975000 -29.514000 13.110000 80 W A 2 "TRP " " HD1" 1 0 1 1 38.62 1280 + 1281 43 14.035000 -29.839000 10.797000 80 W A 2 "TRP " " HE1" 1 0 1 1 48.33 1281 + 1282 41 8.718000 -30.047000 10.303000 80 W A 2 "TRP " " HE3" 1 0 1 1 45.35 1282 + 1283 41 13.172000 -30.167000 8.077000 80 W A 2 "TRP " " HZ2" 1 0 1 1 44.57 1283 + 1284 41 8.880000 -30.345000 7.838000 80 W A 2 "TRP " " HZ3" 1 0 1 1 52.54 1284 + 1285 41 11.105000 -30.411000 6.728000 80 W A 2 "TRP " " HH2" 1 0 1 1 46.1 1285 + 1286 25 11.762000 -31.797000 14.752000 81 L A 2 "LEU " " N " 7 0 1 1 59.15 1286 + 1287 3 12.924000 -32.674000 14.977000 81 L A 2 "LEU " " CA " 6 0 1 1 55.66 1287 + 1288 2 12.574000 -34.148000 15.280000 81 L A 2 "LEU " " C " 6 0 1 1 55.24 1288 + 1289 15 13.373000 -35.025000 14.950000 81 L A 2 "LEU " " O " 8 0 1 1 56.72 1289 + 1290 3 13.806000 -32.084000 16.102000 81 L A 2 "LEU " " CB " 6 0 1 1 51.63 1290 + 1291 3 14.591000 -30.815000 15.700000 81 L A 2 "LEU " " CG " 6 0 1 1 50.7 1291 + 1292 3 15.263000 -30.160000 16.926000 81 L A 2 "LEU " " CD1" 6 0 1 1 53.32 1292 + 1293 3 15.588000 -31.093000 14.562000 81 L A 2 "LEU " " CD2" 6 0 1 1 45.06 1293 + 1294 43 11.728000 -30.956000 15.313000 81 L A 2 "LEU " " H " 1 0 1 1 59.15 1294 + 1295 41 13.490000 -32.689000 14.044000 81 L A 2 "LEU " " HA " 1 0 1 1 55.66 1295 + 1296 41 14.525000 -32.831000 16.443000 81 L A 2 "LEU " " HB3" 1 0 1 1 51.63 1296 + 1297 41 13.174000 -31.869000 16.965000 81 L A 2 "LEU " " HB2" 1 0 1 1 51.63 1297 + 1298 41 13.885000 -30.086000 15.310000 81 L A 2 "LEU " " HG " 1 0 1 1 50.7 1298 + 1299 41 16.350000 -30.136000 16.847000 81 L A 2 "LEU " "HD11" 1 0 1 1 53.32 1299 + 1300 41 14.925000 -29.130000 17.043000 81 L A 2 "LEU " "HD12" 1 0 1 1 53.32 1300 + 1301 41 15.025000 -30.683000 17.852000 81 L A 2 "LEU " "HD13" 1 0 1 1 53.32 1301 + 1302 41 16.485000 -30.479000 14.631000 81 L A 2 "LEU " "HD21" 1 0 1 1 45.06 1302 + 1303 41 15.900000 -32.137000 14.537000 81 L A 2 "LEU " "HD22" 1 0 1 1 45.06 1303 + 1304 41 15.122000 -30.872000 13.602000 81 L A 2 "LEU " "HD23" 1 0 1 1 45.06 1304 + 1305 25 11.380000 -34.386000 15.848000 82 A A 2 "ALA " " N " 7 0 0 1 55.47 1305 + 1306 3 10.813000 -35.701000 16.139000 82 A A 2 "ALA " " CA " 6 0 0 1 58.24 1306 + 1307 2 10.113000 -36.392000 14.947000 82 A A 2 "ALA " " C " 6 0 0 1 65.46 1307 + 1308 15 9.812000 -37.579000 15.072000 82 A A 2 "ALA " " O " 8 0 0 1 66.91 1308 + 1309 3 9.848000 -35.552000 17.325000 82 A A 2 "ALA " " CB " 6 0 0 1 66.05 1309 + 1310 43 10.795000 -33.597000 16.092000 82 A A 2 "ALA " " H " 1 0 0 1 55.47 1310 + 1311 41 11.624000 -36.359000 16.455000 82 A A 2 "ALA " " HA " 1 0 0 1 58.24 1311 + 1312 41 9.418000 -36.511000 17.614000 82 A A 2 "ALA " " HB1" 1 0 0 1 66.05 1312 + 1313 41 10.362000 -35.151000 18.199000 82 A A 2 "ALA " " HB2" 1 0 0 1 66.05 1313 + 1314 41 9.024000 -34.877000 17.088000 82 A A 2 "ALA " " HB3" 1 0 0 1 66.05 1314 + 1315 25 9.881000 -35.691000 13.818000 83 I A 2 "ILE " " N " 7 0 0 1 71.27 1315 + 1316 3 9.411000 -36.285000 12.553000 83 I A 2 "ILE " " CA " 6 0 0 1 62.5 1316 + 1317 2 10.529000 -37.150000 11.933000 83 I A 2 "ILE " " C " 6 0 0 1 64.29 1317 + 1318 15 11.710000 -36.871000 12.162000 83 I A 2 "ILE " " O " 8 0 0 1 67.68 1318 + 1319 3 8.973000 -35.204000 11.498000 83 I A 2 "ILE " " CB " 6 0 0 1 55.65 1319 + 1320 3 7.799000 -34.346000 12.014000 83 I A 2 "ILE " " CG1" 6 0 0 1 57.47 1320 + 1321 3 8.581000 -35.751000 10.103000 83 I A 2 "ILE " " CG2" 6 0 0 1 52.06 1321 + 1322 3 7.549000 -33.064000 11.203000 83 I A 2 "ILE " " CD1" 6 0 0 1 52.3 1322 + 1323 43 10.142000 -34.714000 13.776000 83 I A 2 "ILE " " H " 1 0 0 1 71.27 1323 + 1324 41 8.555000 -36.926000 12.772000 83 I A 2 "ILE " " HA " 1 0 0 1 62.5 1324 + 1325 41 9.821000 -34.539000 11.340000 83 I A 2 "ILE " " HB " 1 0 0 1 55.65 1325 + 1326 41 7.977000 -34.064000 13.043000 83 I A 2 "ILE " "HG13" 1 0 0 1 57.47 1326 + 1327 41 6.889000 -34.946000 12.031000 83 I A 2 "ILE " "HG12" 1 0 0 1 57.47 1327 + 1328 41 8.199000 -34.968000 9.448000 83 I A 2 "ILE " "HG21" 1 0 0 1 52.06 1328 + 1329 41 9.427000 -36.176000 9.572000 83 I A 2 "ILE " "HG22" 1 0 0 1 52.06 1329 + 1330 41 7.809000 -36.517000 10.181000 83 I A 2 "ILE " "HG23" 1 0 0 1 52.06 1330 + 1331 41 7.090000 -32.294000 11.824000 83 I A 2 "ILE " "HD11" 1 0 0 1 52.3 1331 + 1332 41 8.475000 -32.655000 10.796000 83 I A 2 "ILE " "HD12" 1 0 0 1 52.3 1332 + 1333 41 6.871000 -33.255000 10.372000 83 I A 2 "ILE " "HD13" 1 0 0 1 52.3 1333 + 1334 25 10.125000 -38.159000 11.140000 84 D A 2 "ASP " " N " 7 0 0 1 62.2 1334 + 1335 3 10.973000 -39.007000 10.296000 84 D A 2 "ASP " " CA " 6 0 0 1 61.15 1335 + 1336 2 12.003000 -38.176000 9.498000 84 D A 2 "ASP " " C " 6 0 0 1 63.52 1336 + 1337 15 11.626000 -37.212000 8.831000 84 D A 2 "ASP " " O " 8 0 0 1 63.36 1337 + 1338 3 10.084000 -39.892000 9.385000 84 D A 2 "ASP " " CB " 6 0 0 1 68.93 1338 + 1339 2 10.832000 -40.861000 8.462000 84 D A 2 "ASP " " CG " 6 0 0 1 75.9 1339 + 1340 15 10.752000 -42.081000 8.716000 84 D A 2 "ASP " " OD1" 8 0 0 1 87.89 1340 + 1341 18 11.438000 -40.374000 7.485000 84 D A 2 "ASP " " OD2" 8 -1 0 1 90.96 1341 + 1342 43 9.134000 -38.315000 11.034000 84 D A 2 "ASP " " H " 1 0 0 1 62.2 1342 + 1343 41 11.518000 -39.666000 10.974000 84 D A 2 "ASP " " HA " 1 0 0 1 61.15 1343 + 1344 41 9.422000 -39.281000 8.770000 84 D A 2 "ASP " " HB3" 1 0 0 1 68.93 1344 + 1345 41 9.407000 -40.479000 10.006000 84 D A 2 "ASP " " HB2" 1 0 0 1 68.93 1345 + 1346 25 13.283000 -38.564000 9.605000 85 A A 2 "ALA " " N " 7 0 1 1 59.86 1346 + 1347 3 14.414000 -37.857000 9.002000 85 A A 2 "ALA " " CA " 6 0 1 1 60.09 1347 + 1348 2 14.369000 -37.778000 7.468000 85 A A 2 "ALA " " C " 6 0 1 1 65.92 1348 + 1349 15 14.821000 -36.774000 6.927000 85 A A 2 "ALA " " O " 8 0 1 1 79.35 1349 + 1350 3 15.722000 -38.508000 9.471000 85 A A 2 "ALA " " CB " 6 0 1 1 62.75 1350 + 1351 43 13.510000 -39.376000 10.160000 85 A A 2 "ALA " " H " 1 0 1 1 59.86 1351 + 1352 41 14.392000 -36.833000 9.379000 85 A A 2 "ALA " " HA " 1 0 1 1 60.09 1352 + 1353 41 16.591000 -37.987000 9.066000 85 A A 2 "ALA " " HB1" 1 0 1 1 62.75 1353 + 1354 41 15.806000 -38.480000 10.558000 85 A A 2 "ALA " " HB2" 1 0 1 1 62.75 1354 + 1355 41 15.784000 -39.552000 9.159000 85 A A 2 "ALA " " HB3" 1 0 1 1 62.75 1355 + 1356 25 13.803000 -38.805000 6.810000 86 N A 2 "ASN " " N " 7 0 1 1 60.22 1356 + 1357 3 13.624000 -38.880000 5.356000 86 N A 2 "ASN " " CA " 6 0 1 1 65.96 1357 + 1358 2 12.501000 -37.952000 4.871000 86 N A 2 "ASN " " C " 6 0 1 1 65.41 1358 + 1359 15 12.672000 -37.310000 3.838000 86 N A 2 "ASN " " O " 8 0 1 1 71.95 1359 + 1360 3 13.325000 -40.321000 4.871000 86 N A 2 "ASN " " CB " 6 0 1 1 77.02 1360 + 1361 2 14.242000 -41.390000 5.471000 86 N A 2 "ASN " " CG " 6 0 1 1 82.18 1361 + 1362 15 15.398000 -41.518000 5.077000 86 N A 2 "ASN " " OD1" 8 0 1 1 85.13 1362 + 1363 25 13.724000 -42.161000 6.429000 86 N A 2 "ASN " " ND2" 7 0 1 1 81.51 1363 + 1364 43 13.387000 -39.562000 7.338000 86 N A 2 "ASN " " H " 1 0 1 1 60.22 1364 + 1365 41 14.532000 -38.537000 4.856000 86 N A 2 "ASN " " HA " 1 0 1 1 65.96 1365 + 1366 41 13.410000 -40.366000 3.785000 86 N A 2 "ASN " " HB3" 1 0 1 1 77.02 1366 + 1367 41 12.293000 -40.595000 5.091000 86 N A 2 "ASN " " HB2" 1 0 1 1 77.02 1367 + 1368 43 14.275000 -42.891000 6.854000 86 N A 2 "ASN " "HD22" 1 0 1 1 81.51 1368 + 1369 43 12.775000 -42.003000 6.752000 86 N A 2 "ASN " "HD21" 1 0 1 1 81.51 1369 + 1370 25 11.392000 -37.875000 5.633000 87 A A 2 "ALA " " N " 7 0 1 1 54 1370 + 1371 3 10.278000 -36.955000 5.384000 87 A A 2 "ALA " " CA " 6 0 1 1 44.34 1371 + 1372 2 10.690000 -35.481000 5.532000 87 A A 2 "ALA " " C " 6 0 1 1 50.72 1372 + 1373 15 10.259000 -34.657000 4.729000 87 A A 2 "ALA " " O " 8 0 1 1 43.46 1373 + 1374 3 9.105000 -37.296000 6.316000 87 A A 2 "ALA " " CB " 6 0 1 1 37.7 1374 + 1375 43 11.317000 -38.463000 6.453000 87 A A 2 "ALA " " H " 1 0 1 1 54 1375 + 1376 41 9.944000 -37.108000 4.356000 87 A A 2 "ALA " " HA " 1 0 1 1 44.34 1376 + 1377 41 8.245000 -36.654000 6.118000 87 A A 2 "ALA " " HB1" 1 0 1 1 37.7 1377 + 1378 41 8.782000 -38.327000 6.175000 87 A A 2 "ALA " " HB2" 1 0 1 1 37.7 1378 + 1379 41 9.375000 -37.175000 7.365000 87 A A 2 "ALA " " HB3" 1 0 1 1 37.7 1379 + 1380 25 11.565000 -35.187000 6.510000 88 R A 2 "ARG " " N " 7 0 1 1 52.37 1380 + 1381 3 12.200000 -33.880000 6.674000 88 R A 2 "ARG " " CA " 6 0 1 1 48.63 1381 + 1382 2 13.249000 -33.569000 5.601000 88 R A 2 "ARG " " C " 6 0 1 1 51.54 1382 + 1383 15 13.395000 -32.400000 5.261000 88 R A 2 "ARG " " O " 8 0 1 1 59.41 1383 + 1384 3 12.842000 -33.774000 8.062000 88 R A 2 "ARG " " CB " 6 0 1 1 50.11 1384 + 1385 3 11.805000 -33.652000 9.179000 88 R A 2 "ARG " " CG " 6 0 1 1 61.16 1385 + 1386 3 12.453000 -33.259000 10.503000 88 R A 2 "ARG " " CD " 6 0 1 1 63.27 1386 + 1387 25 13.082000 -34.404000 11.178000 88 R A 2 "ARG " " NE " 7 0 1 1 61.47 1387 + 1388 2 14.396000 -34.647000 11.315000 88 R A 2 "ARG " " CZ " 6 0 1 1 67.54 1388 + 1389 25 15.335000 -33.829000 10.817000 88 R A 2 "ARG " " NH1" 7 0 1 1 73.31 1389 + 1390 31 14.779000 -35.738000 11.987000 88 R A 2 "ARG " " NH2" 7 1 1 1 63.45 1390 + 1391 43 11.862000 -35.917000 7.144000 88 R A 2 "ARG " " H " 1 0 1 1 52.37 1391 + 1392 41 11.421000 -33.118000 6.597000 88 R A 2 "ARG " " HA " 1 0 1 1 48.63 1392 + 1393 41 13.454000 -32.870000 8.083000 88 R A 2 "ARG " " HB3" 1 0 1 1 50.11 1393 + 1394 41 13.523000 -34.605000 8.250000 88 R A 2 "ARG " " HB2" 1 0 1 1 50.11 1394 + 1395 41 11.311000 -34.617000 9.283000 88 R A 2 "ARG " " HG3" 1 0 1 1 61.16 1395 + 1396 41 11.019000 -32.936000 8.939000 88 R A 2 "ARG " " HG2" 1 0 1 1 61.16 1396 + 1397 41 11.756000 -32.694000 11.104000 88 R A 2 "ARG " " HD3" 1 0 1 1 63.27 1397 + 1398 41 13.251000 -32.548000 10.308000 88 R A 2 "ARG " " HD2" 1 0 1 1 63.27 1398 + 1399 43 12.440000 -35.085000 11.567000 88 R A 2 "ARG " " HE " 1 0 1 1 61.47 1399 + 1400 43 16.310000 -34.005000 11.019000 88 R A 2 "ARG " "HH12" 1 0 1 1 73.31 1400 + 1401 43 15.080000 -32.957000 10.365000 88 R A 2 "ARG " "HH11" 1 0 1 1 73.31 1401 + 1402 44 15.759000 -35.920000 12.147000 88 R A 2 "ARG " "HH22" 1 0 1 1 63.45 1402 + 1403 44 14.082000 -36.349000 12.394000 88 R A 2 "ARG " "HH21" 1 0 1 1 63.45 1403 + 1404 25 13.949000 -34.595000 5.090000 89 R A 2 "ARG " " N " 7 0 1 1 51.28 1404 + 1405 3 14.923000 -34.476000 4.002000 89 R A 2 "ARG " " CA " 6 0 1 1 55.8 1405 + 1406 2 14.242000 -34.172000 2.662000 89 R A 2 "ARG " " C " 6 0 1 1 63.35 1406 + 1407 15 14.738000 -33.340000 1.907000 89 R A 2 "ARG " " O " 8 0 1 1 77.2 1407 + 1408 3 15.801000 -35.740000 3.965000 89 R A 2 "ARG " " CB " 6 0 1 1 63.03 1408 + 1409 3 17.096000 -35.607000 3.145000 89 R A 2 "ARG " " CG " 6 0 1 1 79.02 1409 + 1410 3 17.959000 -36.882000 3.152000 89 R A 2 "ARG " " CD " 6 0 1 1 94.44 1410 + 1411 25 18.193000 -37.403000 4.512000 89 R A 2 "ARG " " NE " 7 0 1 1 105.87 1411 + 1412 2 17.784000 -38.596000 4.980000 89 R A 2 "ARG " " CZ " 6 0 1 1 111.13 1412 + 1413 25 17.214000 -39.498000 4.172000 89 R A 2 "ARG " " NH1" 7 0 1 1 119.11 1413 + 1414 31 17.946000 -38.892000 6.276000 89 R A 2 "ARG " " NH2" 7 1 1 1 101.47 1414 + 1415 43 13.791000 -35.528000 5.444000 89 R A 2 "ARG " " H " 1 0 1 1 51.28 1415 + 1416 41 15.578000 -33.636000 4.208000 89 R A 2 "ARG " " HA " 1 0 1 1 55.8 1416 + 1417 41 15.228000 -36.601000 3.622000 89 R A 2 "ARG " " HB3" 1 0 1 1 63.03 1417 + 1418 41 16.099000 -35.954000 4.988000 89 R A 2 "ARG " " HB2" 1 0 1 1 63.03 1418 + 1419 41 17.685000 -34.734000 3.427000 89 R A 2 "ARG " " HG3" 1 0 1 1 79.02 1419 + 1420 41 16.784000 -35.440000 2.113000 89 R A 2 "ARG " " HG2" 1 0 1 1 79.02 1420 + 1421 41 18.959000 -36.570000 2.851000 89 R A 2 "ARG " " HD3" 1 0 1 1 94.44 1421 + 1422 41 17.656000 -37.617000 2.406000 89 R A 2 "ARG " " HD2" 1 0 1 1 94.44 1422 + 1423 43 18.659000 -36.771000 5.148000 89 R A 2 "ARG " " HE " 1 0 1 1 105.87 1423 + 1424 43 16.849000 -40.370000 4.538000 89 R A 2 "ARG " "HH12" 1 0 1 1 119.11 1424 + 1425 43 17.097000 -39.294000 3.190000 89 R A 2 "ARG " "HH11" 1 0 1 1 119.11 1425 + 1426 44 17.642000 -39.787000 6.634000 89 R A 2 "ARG " "HH22" 1 0 1 1 101.47 1426 + 1427 44 18.375000 -38.228000 6.903000 89 R A 2 "ARG " "HH21" 1 0 1 1 101.47 1427 + 1428 25 13.086000 -34.810000 2.439000 90 E A 2 "GLU " " N " 7 0 1 1 60.91 1428 + 1429 3 12.186000 -34.599000 1.315000 90 E A 2 "GLU " " CA " 6 0 1 1 62.17 1429 + 1430 2 11.603000 -33.172000 1.299000 90 E A 2 "GLU " " C " 6 0 1 1 64.22 1430 + 1431 15 11.675000 -32.519000 0.259000 90 E A 2 "GLU " " O " 8 0 1 1 63.66 1431 + 1432 3 11.137000 -35.727000 1.357000 90 E A 2 "GLU " " CB " 6 0 1 1 63.2 1432 + 1433 3 10.090000 -35.718000 0.236000 90 E A 2 "GLU " " CG " 6 0 1 1 88.52 1433 + 1434 2 9.234000 -36.985000 0.272000 90 E A 2 "GLU " " CD " 6 0 1 1 101.56 1434 + 1435 15 8.653000 -37.257000 1.345000 90 E A 2 "GLU " " OE1" 8 0 1 1 113.28 1435 + 1436 18 9.184000 -37.668000 -0.774000 90 E A 2 "GLU " " OE2" 8 -1 1 1 107.06 1436 + 1437 43 12.772000 -35.494000 3.117000 90 E A 2 "GLU " " H " 1 0 1 1 60.91 1437 + 1438 41 12.770000 -34.722000 0.401000 90 E A 2 "GLU " " HA " 1 0 1 1 62.17 1438 + 1439 41 10.624000 -35.704000 2.319000 90 E A 2 "GLU " " HB3" 1 0 1 1 63.2 1439 + 1440 41 11.663000 -36.683000 1.330000 90 E A 2 "GLU " " HB2" 1 0 1 1 63.2 1440 + 1441 41 10.584000 -35.641000 -0.734000 90 E A 2 "GLU " " HG3" 1 0 1 1 88.52 1441 + 1442 41 9.435000 -34.852000 0.335000 90 E A 2 "GLU " " HG2" 1 0 1 1 88.52 1442 + 1443 25 11.123000 -32.691000 2.463000 91 V A 2 "VAL " " N " 7 0 1 1 63.3 1443 + 1444 3 10.656000 -31.314000 2.667000 91 V A 2 "VAL " " CA " 6 0 1 1 58.99 1444 + 1445 2 11.769000 -30.266000 2.489000 91 V A 2 "VAL " " C " 6 0 1 1 56.16 1445 + 1446 15 11.542000 -29.286000 1.779000 91 V A 2 "VAL " " O " 8 0 1 1 54.19 1446 + 1447 3 9.990000 -31.117000 4.061000 91 V A 2 "VAL " " CB " 6 0 1 1 58.26 1447 + 1448 3 9.736000 -29.647000 4.477000 91 V A 2 "VAL " " CG1" 6 0 1 1 47.15 1448 + 1449 3 8.657000 -31.867000 4.128000 91 V A 2 "VAL " " CG2" 6 0 1 1 54.08 1449 + 1450 43 11.088000 -33.296000 3.272000 91 V A 2 "VAL " " H " 1 0 1 1 63.3 1450 + 1451 41 9.907000 -31.121000 1.899000 91 V A 2 "VAL " " HA " 1 0 1 1 58.99 1451 + 1452 41 10.644000 -31.568000 4.807000 91 V A 2 "VAL " " HB " 1 0 1 1 58.26 1452 + 1453 41 9.139000 -29.592000 5.388000 91 V A 2 "VAL " "HG11" 1 0 1 1 47.15 1453 + 1454 41 10.661000 -29.108000 4.678000 91 V A 2 "VAL " "HG12" 1 0 1 1 47.15 1454 + 1455 41 9.195000 -29.104000 3.702000 91 V A 2 "VAL " "HG13" 1 0 1 1 47.15 1455 + 1456 41 8.267000 -31.900000 5.145000 91 V A 2 "VAL " "HG21" 1 0 1 1 54.08 1456 + 1457 41 7.928000 -31.364000 3.500000 91 V A 2 "VAL " "HG22" 1 0 1 1 54.08 1457 + 1458 41 8.742000 -32.890000 3.773000 91 V A 2 "VAL " "HG23" 1 0 1 1 54.08 1458 + 1459 25 12.944000 -30.502000 3.106000 92 K A 2 "LYS " " N " 7 0 1 1 56.65 1459 + 1460 3 14.136000 -29.656000 2.982000 92 K A 2 "LYS " " CA " 6 0 1 1 48.68 1460 + 1461 2 14.600000 -29.459000 1.535000 92 K A 2 "LYS " " C " 6 0 1 1 52.48 1461 + 1462 15 14.981000 -28.342000 1.197000 92 K A 2 "LYS " " O " 8 0 1 1 55.85 1462 + 1463 3 15.298000 -30.200000 3.841000 92 K A 2 "LYS " " CB " 6 0 1 1 50.7 1463 + 1464 3 15.258000 -29.732000 5.304000 92 K A 2 "LYS " " CG " 6 0 1 1 49.71 1464 + 1465 3 16.461000 -30.217000 6.128000 92 K A 2 "LYS " " CD " 6 0 1 1 41.69 1465 + 1466 3 16.399000 -31.693000 6.532000 92 K A 2 "LYS " " CE " 6 0 1 1 39.52 1466 + 1467 32 17.640000 -32.123000 7.193000 92 K A 2 "LYS " " NZ " 7 1 1 1 39.44 1467 + 1468 43 13.043000 -31.323000 3.689000 92 K A 2 "LYS " " H " 1 0 1 1 56.65 1468 + 1469 41 13.856000 -28.672000 3.364000 92 K A 2 "LYS " " HA " 1 0 1 1 48.68 1469 + 1470 41 16.244000 -29.831000 3.438000 92 K A 2 "LYS " " HB3" 1 0 1 1 50.7 1470 + 1471 41 15.356000 -31.285000 3.761000 92 K A 2 "LYS " " HB2" 1 0 1 1 50.7 1471 + 1472 41 14.327000 -30.036000 5.781000 92 K A 2 "LYS " " HG3" 1 0 1 1 49.71 1472 + 1473 41 15.254000 -28.643000 5.315000 92 K A 2 "LYS " " HG2" 1 0 1 1 49.71 1473 + 1474 41 16.557000 -29.591000 7.015000 92 K A 2 "LYS " " HD3" 1 0 1 1 41.69 1474 + 1475 41 17.369000 -30.064000 5.549000 92 K A 2 "LYS " " HD2" 1 0 1 1 41.69 1475 + 1476 41 16.274000 -32.312000 5.655000 92 K A 2 "LYS " " HE3" 1 0 1 1 39.52 1476 + 1477 41 15.552000 -31.875000 7.193000 92 K A 2 "LYS " " HE2" 1 0 1 1 39.52 1477 + 1478 44 17.753000 -31.567000 8.039000 92 K A 2 "LYS " " HZ1" 1 0 1 1 39.44 1478 + 1479 44 17.583000 -33.098000 7.443000 92 K A 2 "LYS " " HZ2" 1 0 1 1 39.44 1479 + 1480 44 18.433000 -31.967000 6.588000 92 K A 2 "LYS " " HZ3" 1 0 1 1 39.44 1480 + 1481 25 14.532000 -30.520000 0.711000 93 N A 2 "ASN " " N " 7 0 1 1 54.31 1481 + 1482 3 14.883000 -30.472000 -0.708000 93 N A 2 "ASN " " CA " 6 0 1 1 64.28 1482 + 1483 2 13.875000 -29.671000 -1.536000 93 N A 2 "ASN " " C " 6 0 1 1 65.13 1483 + 1484 15 14.331000 -28.789000 -2.254000 93 N A 2 "ASN " " O " 8 0 1 1 66.88 1484 + 1485 3 15.090000 -31.897000 -1.263000 93 N A 2 "ASN " " CB " 6 0 1 1 72.93 1485 + 1486 2 16.503000 -32.425000 -0.996000 93 N A 2 "ASN " " CG " 6 0 1 1 86.26 1486 + 1487 15 17.483000 -31.811000 -1.412000 93 N A 2 "ASN " " OD1" 8 0 1 1 95.11 1487 + 1488 25 16.621000 -33.573000 -0.330000 93 N A 2 "ASN " " ND2" 7 0 1 1 88.13 1488 + 1489 43 14.210000 -31.410000 1.067000 93 N A 2 "ASN " " H " 1 0 1 1 54.31 1489 + 1490 41 15.840000 -29.946000 -0.724000 93 N A 2 "ASN " " HA " 1 0 1 1 64.28 1490 + 1491 41 14.992000 -31.884000 -2.350000 93 N A 2 "ASN " " HB3" 1 0 1 1 72.93 1491 + 1492 41 14.323000 -32.583000 -0.900000 93 N A 2 "ASN " " HB2" 1 0 1 1 72.93 1492 + 1493 43 17.536000 -33.959000 -0.151000 93 N A 2 "ASN " "HD22" 1 0 1 1 88.13 1493 + 1494 43 15.800000 -34.042000 0.028000 93 N A 2 "ASN " "HD21" 1 0 1 1 88.13 1494 + 1495 25 12.559000 -29.935000 -1.424000 94 Y A 2 "TYR " " N " 7 0 1 1 61.19 1495 + 1496 3 11.535000 -29.192000 -2.178000 94 Y A 2 "TYR " " CA " 6 0 1 1 58.65 1496 + 1497 2 11.536000 -27.679000 -1.889000 94 Y A 2 "TYR " " C " 6 0 1 1 61.3 1497 + 1498 15 11.456000 -26.898000 -2.835000 94 Y A 2 "TYR " " O " 8 0 1 1 68.98 1498 + 1499 3 10.134000 -29.789000 -1.943000 94 Y A 2 "TYR " " CB " 6 0 1 1 59.2 1499 + 1500 2 9.855000 -31.121000 -2.616000 94 Y A 2 "TYR " " CG " 6 0 1 1 69.76 1500 + 1501 2 9.986000 -31.252000 -4.015000 94 Y A 2 "TYR " " CD1" 6 0 1 1 71.34 1501 + 1502 2 9.428000 -32.226000 -1.851000 94 Y A 2 "TYR " " CD2" 6 0 1 1 73.73 1502 + 1503 2 9.727000 -32.487000 -4.639000 94 Y A 2 "TYR " " CE1" 6 0 1 1 73.74 1503 + 1504 2 9.174000 -33.462000 -2.474000 94 Y A 2 "TYR " " CE2" 6 0 1 1 81.42 1504 + 1505 2 9.327000 -33.595000 -3.867000 94 Y A 2 "TYR " " CZ " 6 0 1 1 79.51 1505 + 1506 16 9.067000 -34.790000 -4.471000 94 Y A 2 "TYR " " OH " 8 0 1 1 94.01 1506 + 1507 43 12.233000 -30.674000 -0.815000 94 Y A 2 "TYR " " H " 1 0 1 1 61.19 1507 + 1508 41 11.786000 -29.305000 -3.233000 94 Y A 2 "TYR " " HA " 1 0 1 1 58.65 1508 + 1509 41 9.388000 -29.109000 -2.345000 94 Y A 2 "TYR " " HB3" 1 0 1 1 59.2 1509 + 1510 41 9.935000 -29.857000 -0.873000 94 Y A 2 "TYR " " HB2" 1 0 1 1 59.2 1510 + 1511 41 10.288000 -30.407000 -4.617000 94 Y A 2 "TYR " " HD1" 1 0 1 1 71.34 1511 + 1512 41 9.293000 -32.133000 -0.784000 94 Y A 2 "TYR " " HD2" 1 0 1 1 73.73 1512 + 1513 41 9.836000 -32.583000 -5.709000 94 Y A 2 "TYR " " HE1" 1 0 1 1 73.74 1513 + 1514 41 8.843000 -34.303000 -1.883000 94 Y A 2 "TYR " " HE2" 1 0 1 1 81.42 1514 + 1515 42 8.860000 -35.490000 -3.846000 94 Y A 2 "TYR " " HH " 1 0 1 1 94.01 1515 + 1516 25 11.700000 -27.302000 -0.609000 95 V A 2 "VAL " " N " 7 0 1 1 60.23 1516 + 1517 3 11.884000 -25.922000 -0.151000 95 V A 2 "VAL " " CA " 6 0 1 1 57.6 1517 + 1518 2 13.141000 -25.254000 -0.749000 95 V A 2 "VAL " " C " 6 0 1 1 57.82 1518 + 1519 15 13.044000 -24.142000 -1.264000 95 V A 2 "VAL " " O " 8 0 1 1 57.34 1519 + 1520 3 11.941000 -25.867000 1.408000 95 V A 2 "VAL " " CB " 6 0 1 1 50.85 1520 + 1521 3 12.582000 -24.607000 2.022000 95 V A 2 "VAL " " CG1" 6 0 1 1 43.35 1521 + 1522 3 10.542000 -26.076000 2.013000 95 V A 2 "VAL " " CG2" 6 0 1 1 47.23 1522 + 1523 43 11.764000 -28.014000 0.107000 95 V A 2 "VAL " " H " 1 0 1 1 60.23 1523 + 1524 41 11.018000 -25.348000 -0.489000 95 V A 2 "VAL " " HA " 1 0 1 1 57.6 1524 + 1525 41 12.550000 -26.708000 1.746000 95 V A 2 "VAL " " HB " 1 0 1 1 50.85 1525 + 1526 41 12.455000 -24.586000 3.104000 95 V A 2 "VAL " "HG11" 1 0 1 1 43.35 1526 + 1527 41 13.656000 -24.578000 1.840000 95 V A 2 "VAL " "HG12" 1 0 1 1 43.35 1527 + 1528 41 12.141000 -23.696000 1.615000 95 V A 2 "VAL " "HG13" 1 0 1 1 43.35 1528 + 1529 41 10.586000 -26.136000 3.101000 95 V A 2 "VAL " "HG21" 1 0 1 1 47.23 1529 + 1530 41 9.870000 -25.257000 1.752000 95 V A 2 "VAL " "HG22" 1 0 1 1 47.23 1530 + 1531 41 10.088000 -27.000000 1.660000 95 V A 2 "VAL " "HG23" 1 0 1 1 47.23 1531 + 1532 25 14.288000 -25.947000 -0.681000 96 L A 2 "LEU " " N " 7 0 1 1 58.98 1532 + 1533 3 15.587000 -25.443000 -1.133000 96 L A 2 "LEU " " CA " 6 0 1 1 58.01 1533 + 1534 2 15.730000 -25.417000 -2.673000 96 L A 2 "LEU " " C " 6 0 1 1 64 1534 + 1535 15 16.514000 -24.616000 -3.180000 96 L A 2 "LEU " " O " 8 0 1 1 68.91 1535 + 1536 3 16.673000 -26.271000 -0.411000 96 L A 2 "LEU " " CB " 6 0 1 1 45.98 1536 + 1537 3 18.102000 -25.695000 -0.386000 96 L A 2 "LEU " " CG " 6 0 1 1 46.5 1537 + 1538 3 18.164000 -24.337000 0.346000 96 L A 2 "LEU " " CD1" 6 0 1 1 40.23 1538 + 1539 3 19.064000 -26.726000 0.243000 96 L A 2 "LEU " " CD2" 6 0 1 1 42.46 1539 + 1540 43 14.294000 -26.863000 -0.252000 96 L A 2 "LEU " " H " 1 0 1 1 58.98 1540 + 1541 41 15.663000 -24.409000 -0.794000 96 L A 2 "LEU " " HA " 1 0 1 1 58.01 1541 + 1542 41 16.688000 -27.279000 -0.830000 96 L A 2 "LEU " " HB3" 1 0 1 1 45.98 1542 + 1543 41 16.378000 -26.380000 0.632000 96 L A 2 "LEU " " HB2" 1 0 1 1 45.98 1543 + 1544 41 18.433000 -25.534000 -1.413000 96 L A 2 "LEU " " HG " 1 0 1 1 46.5 1544 + 1545 41 18.988000 -24.274000 1.054000 96 L A 2 "LEU " "HD11" 1 0 1 1 40.23 1545 + 1546 41 18.315000 -23.534000 -0.371000 96 L A 2 "LEU " "HD12" 1 0 1 1 40.23 1546 + 1547 41 17.252000 -24.118000 0.902000 96 L A 2 "LEU " "HD13" 1 0 1 1 40.23 1547 + 1548 41 19.823000 -26.275000 0.883000 96 L A 2 "LEU " "HD21" 1 0 1 1 42.46 1548 + 1549 41 18.536000 -27.464000 0.847000 96 L A 2 "LEU " "HD22" 1 0 1 1 42.46 1549 + 1550 41 19.587000 -27.282000 -0.535000 96 L A 2 "LEU " "HD23" 1 0 1 1 42.46 1550 + 1551 25 14.930000 -26.235000 -3.386000 97 H A 2 "HIS " " N " 7 0 1 1 69.45 1551 + 1552 3 14.772000 -26.215000 -4.845000 97 H A 2 "HIS " " CA " 6 0 1 1 69.27 1552 + 1553 2 13.945000 -25.019000 -5.337000 97 H A 2 "HIS " " C " 6 0 1 1 66.45 1553 + 1554 15 14.214000 -24.540000 -6.437000 97 H A 2 "HIS " " O " 8 0 1 1 71.04 1554 + 1555 3 14.100000 -27.515000 -5.344000 97 H A 2 "HIS " " CB " 6 0 1 1 85.44 1555 + 1556 2 14.916000 -28.780000 -5.258000 97 H A 2 "HIS " " CG " 6 0 1 1 112.47 1556 + 1557 25 14.424000 -30.003000 -5.725000 97 H A 2 "HIS " " ND1" 7 0 1 1 125.71 1557 + 1558 2 16.184000 -28.978000 -4.749000 97 H A 2 "HIS " " CD2" 6 0 1 1 121.37 1558 + 1559 2 15.389000 -30.877000 -5.475000 97 H A 2 "HIS " " CE1" 6 0 1 1 130.68 1559 + 1560 25 16.453000 -30.327000 -4.891000 97 H A 2 "HIS " " NE2" 7 0 1 1 133.98 1560 + 1561 43 14.345000 -26.895000 -2.891000 97 H A 2 "HIS " " H " 1 0 1 1 69.45 1561 + 1562 41 15.759000 -26.135000 -5.304000 97 H A 2 "HIS " " HA " 1 0 1 1 69.27 1562 + 1563 41 13.816000 -27.404000 -6.392000 97 H A 2 "HIS " " HB3" 1 0 1 1 85.44 1563 + 1564 41 13.169000 -27.684000 -4.802000 97 H A 2 "HIS " " HB2" 1 0 1 1 85.44 1564 + 1565 41 16.886000 -28.293000 -4.296000 97 H A 2 "HIS " " HD2" 1 0 1 1 121.37 1565 + 1566 41 15.317000 -31.928000 -5.714000 97 H A 2 "HIS " " HE1" 1 0 1 1 130.68 1566 + 1567 43 17.297000 -30.805000 -4.606000 97 H A 2 "HIS " " HE2" 1 0 1 1 133.98 1567 + 1568 25 12.965000 -24.567000 -4.529000 98 T A 2 "THR " " N " 7 0 1 1 60.16 1568 + 1569 3 12.057000 -23.456000 -4.842000 98 T A 2 "THR " " CA " 6 0 1 1 43.79 1569 + 1570 2 12.778000 -22.114000 -5.079000 98 T A 2 "THR " " C " 6 0 1 1 41.37 1570 + 1571 15 12.269000 -21.293000 -5.842000 98 T A 2 "THR " " O " 8 0 1 1 45.18 1571 + 1572 3 11.025000 -23.201000 -3.709000 98 T A 2 "THR " " CB " 6 0 1 1 42.99 1572 + 1573 16 10.308000 -24.375000 -3.406000 98 T A 2 "THR " " OG1" 8 0 1 1 45.99 1573 + 1574 3 9.985000 -22.113000 -4.023000 98 T A 2 "THR " " CG2" 6 0 1 1 43.94 1574 + 1575 43 12.826000 -25.015000 -3.635000 98 T A 2 "THR " " H " 1 0 1 1 60.16 1575 + 1576 41 11.520000 -23.718000 -5.755000 98 T A 2 "THR " " HA " 1 0 1 1 43.79 1576 + 1577 41 11.548000 -22.909000 -2.802000 98 T A 2 "THR " " HB " 1 0 1 1 42.99 1577 + 1578 42 10.922000 -25.063000 -3.129000 98 T A 2 "THR " " HG1" 1 0 1 1 45.99 1578 + 1579 41 9.209000 -22.056000 -3.265000 98 T A 2 "THR " "HG21" 1 0 1 1 43.94 1579 + 1580 41 10.439000 -21.128000 -4.059000 98 T A 2 "THR " "HG22" 1 0 1 1 43.94 1580 + 1581 41 9.507000 -22.297000 -4.981000 98 T A 2 "THR " "HG23" 1 0 1 1 43.94 1581 + 1582 25 13.948000 -21.924000 -4.441000 99 L A 2 "LEU " " N " 7 0 0 1 46.63 1582 + 1583 3 14.791000 -20.743000 -4.601000 99 L A 2 "LEU " " CA " 6 0 0 1 47.05 1583 + 1584 2 15.183000 -20.535000 -6.077000 99 L A 2 "LEU " " C " 6 0 0 1 47.99 1584 + 1585 15 15.775000 -21.427000 -6.686000 99 L A 2 "LEU " " O " 8 0 0 1 49.5 1585 + 1586 3 16.058000 -20.864000 -3.723000 99 L A 2 "LEU " " CB " 6 0 0 1 47.83 1586 + 1587 3 15.880000 -21.067000 -2.201000 99 L A 2 "LEU " " CG " 6 0 0 1 48.45 1587 + 1588 3 17.254000 -21.203000 -1.534000 99 L A 2 "LEU " " CD1" 6 0 0 1 36.84 1588 + 1589 3 15.050000 -19.987000 -1.486000 99 L A 2 "LEU " " CD2" 6 0 0 1 43.72 1589 + 1590 43 14.311000 -22.652000 -3.843000 99 L A 2 "LEU " " H " 1 0 0 1 46.63 1590 + 1591 41 14.201000 -19.885000 -4.281000 99 L A 2 "LEU " " HA " 1 0 0 1 47.05 1591 + 1592 41 16.667000 -19.971000 -3.869000 99 L A 2 "LEU " " HB3" 1 0 0 1 47.83 1592 + 1593 41 16.648000 -21.702000 -4.095000 99 L A 2 "LEU " " HB2" 1 0 0 1 47.83 1593 + 1594 41 15.360000 -22.017000 -2.064000 99 L A 2 "LEU " " HG " 1 0 0 1 48.45 1594 + 1595 41 17.147000 -21.498000 -0.490000 99 L A 2 "LEU " "HD11" 1 0 0 1 36.84 1595 + 1596 41 17.867000 -21.953000 -2.035000 99 L A 2 "LEU " "HD12" 1 0 0 1 36.84 1596 + 1597 41 17.802000 -20.261000 -1.557000 99 L A 2 "LEU " "HD13" 1 0 0 1 36.84 1597 + 1598 41 14.498000 -20.426000 -0.654000 99 L A 2 "LEU " "HD21" 1 0 0 1 43.72 1598 + 1599 41 15.680000 -19.202000 -1.068000 99 L A 2 "LEU " "HD22" 1 0 0 1 43.72 1599 + 1600 41 14.315000 -19.512000 -2.129000 99 L A 2 "LEU " "HD23" 1 0 0 1 43.72 1600 + 1601 25 14.822000 -19.362000 -6.616000 100 G A 2 "GLY " " N " 7 0 0 1 56.41 1601 + 1602 3 15.087000 -18.976000 -7.999000 100 G A 2 "GLY " " CA " 6 0 0 1 63.14 1602 + 1603 2 13.994000 -19.395000 -8.986000 100 G A 2 "GLY " " C " 6 0 0 1 66 1603 + 1604 15 14.124000 -19.073000 -10.167000 100 G A 2 "GLY " " O " 8 0 0 1 57.05 1604 + 1605 43 14.337000 -18.683000 -6.044000 100 G A 2 "GLY " " H " 1 0 0 1 56.41 1605 + 1606 41 16.051000 -19.354000 -8.341000 100 G A 2 "GLY " " HA3" 1 0 0 1 63.14 1606 + 1607 41 15.125000 -17.895000 -8.028000 100 G A 2 "GLY " " HA2" 1 0 0 1 63.14 1607 + 1608 25 12.931000 -20.076000 -8.526000 101 T A 2 "THR " " N " 7 0 0 1 62.18 1608 + 1609 3 11.816000 -20.552000 -9.350000 101 T A 2 "THR " " CA " 6 0 0 1 53.91 1609 + 1610 2 10.505000 -19.772000 -9.084000 101 T A 2 "THR " " C " 6 0 0 1 62.46 1610 + 1611 15 9.465000 -20.142000 -9.633000 101 T A 2 "THR " " O " 8 0 0 1 64.7 1611 + 1612 3 11.594000 -22.087000 -9.173000 101 T A 2 "THR " " CB " 6 0 0 1 48.7 1612 + 1613 16 10.685000 -22.464000 -8.155000 101 T A 2 "THR " " OG1" 8 0 0 1 45.66 1613 + 1614 3 12.884000 -22.913000 -9.038000 101 T A 2 "THR " " CG2" 6 0 0 1 64.56 1614 + 1615 43 12.886000 -20.326000 -7.546000 101 T A 2 "THR " " H " 1 0 0 1 62.18 1615 + 1616 41 12.040000 -20.387000 -10.405000 101 T A 2 "THR " " HA " 1 0 0 1 53.91 1616 + 1617 41 11.129000 -22.427000 -10.098000 101 T A 2 "THR " " HB " 1 0 0 1 48.7 1617 + 1618 42 10.744000 -23.415000 -8.034000 101 T A 2 "THR " " HG1" 1 0 0 1 45.66 1618 + 1619 41 12.668000 -23.981000 -9.011000 101 T A 2 "THR " "HG21" 1 0 0 1 64.56 1619 + 1620 41 13.552000 -22.733000 -9.880000 101 T A 2 "THR " "HG22" 1 0 0 1 64.56 1620 + 1621 41 13.427000 -22.665000 -8.126000 101 T A 2 "THR " "HG23" 1 0 0 1 64.56 1621 + 1622 25 10.573000 -18.708000 -8.265000 102 E A 2 "GLU " " N " 7 0 0 1 66.51 1622 + 1623 3 9.435000 -17.881000 -7.863000 102 E A 2 "GLU " " CA " 6 0 0 1 64.27 1623 + 1624 2 9.322000 -16.633000 -8.747000 102 E A 2 "GLU " " C " 6 0 0 1 67.12 1624 + 1625 15 10.305000 -15.913000 -8.931000 102 E A 2 "GLU " " O " 8 0 0 1 65.06 1625 + 1626 3 9.585000 -17.515000 -6.377000 102 E A 2 "GLU " " CB " 6 0 0 1 63.05 1626 + 1627 3 9.461000 -18.757000 -5.475000 102 E A 2 "GLU " " CG " 6 0 0 1 59.71 1627 + 1628 2 9.778000 -18.446000 -4.018000 102 E A 2 "GLU " " CD " 6 0 0 1 61.92 1628 + 1629 15 10.968000 -18.174000 -3.756000 102 E A 2 "GLU " " OE1" 8 0 0 1 50.73 1629 + 1630 18 8.846000 -18.520000 -3.187000 102 E A 2 "GLU " " OE2" 8 -1 0 1 56.71 1630 + 1631 43 11.463000 -18.456000 -7.861000 102 E A 2 "GLU " " H " 1 0 0 1 66.51 1631 + 1632 41 8.511000 -18.453000 -7.962000 102 E A 2 "GLU " " HA " 1 0 0 1 64.27 1632 + 1633 41 8.823000 -16.787000 -6.092000 102 E A 2 "GLU " " HB3" 1 0 0 1 63.05 1633 + 1634 41 10.547000 -17.027000 -6.214000 102 E A 2 "GLU " " HB2" 1 0 0 1 63.05 1634 + 1635 41 10.153000 -19.533000 -5.798000 102 E A 2 "GLU " " HG3" 1 0 0 1 59.71 1635 + 1636 41 8.463000 -19.187000 -5.558000 102 E A 2 "GLU " " HG2" 1 0 0 1 59.71 1636 + 1637 25 8.105000 -16.416000 -9.268000 103 T A 2 "THR " " N " 7 0 0 1 71.87 1637 + 1638 3 7.742000 -15.291000 -10.130000 103 T A 2 "THR " " CA " 6 0 0 1 72.72 1638 + 1639 2 7.467000 -14.016000 -9.311000 103 T A 2 "THR " " C " 6 0 0 1 72.75 1639 + 1640 15 7.971000 -12.944000 -9.649000 103 T A 2 "THR " " O " 8 0 0 1 72.5 1640 + 1641 3 6.460000 -15.609000 -10.948000 103 T A 2 "THR " " CB " 6 0 0 1 71.28 1641 + 1642 16 6.582000 -16.879000 -11.560000 103 T A 2 "THR " " OG1" 8 0 0 1 77.92 1642 + 1643 3 6.130000 -14.581000 -12.044000 103 T A 2 "THR " " CG2" 6 0 0 1 77.21 1643 + 1644 43 7.366000 -17.080000 -9.090000 103 T A 2 "THR " " H " 1 0 0 1 71.87 1644 + 1645 41 8.565000 -15.093000 -10.820000 103 T A 2 "THR " " HA " 1 0 0 1 72.72 1645 + 1646 41 5.602000 -15.682000 -10.277000 103 T A 2 "THR " " HB " 1 0 0 1 71.28 1646 + 1647 42 5.864000 -16.987000 -12.189000 103 T A 2 "THR " " HG1" 1 0 0 1 77.92 1647 + 1648 41 5.262000 -14.891000 -12.626000 103 T A 2 "THR " "HG21" 1 0 0 1 77.21 1648 + 1649 41 5.899000 -13.603000 -11.623000 103 T A 2 "THR " "HG22" 1 0 0 1 77.21 1649 + 1650 41 6.965000 -14.456000 -12.734000 103 T A 2 "THR " "HG23" 1 0 0 1 77.21 1650 + 1651 25 6.694000 -14.191000 -8.227000 104 Y A 2 "TYR " " N " 7 0 0 1 64.13 1651 + 1652 3 6.382000 -13.200000 -7.201000 104 Y A 2 "TYR " " CA " 6 0 0 1 63.73 1652 + 1653 2 7.627000 -12.850000 -6.373000 104 Y A 2 "TYR " " C " 6 0 0 1 68.03 1653 + 1654 15 8.444000 -13.731000 -6.097000 104 Y A 2 "TYR " " O " 8 0 0 1 56.47 1654 + 1655 3 5.234000 -13.755000 -6.333000 104 Y A 2 "TYR " " CB " 6 0 0 1 55.32 1655 + 1656 2 5.444000 -15.142000 -5.743000 104 Y A 2 "TYR " " CG " 6 0 0 1 63.87 1656 + 1657 2 5.044000 -16.287000 -6.466000 104 Y A 2 "TYR " " CD1" 6 0 0 1 65.7 1657 + 1658 2 6.051000 -15.294000 -4.480000 104 Y A 2 "TYR " " CD2" 6 0 0 1 73.71 1658 + 1659 2 5.274000 -17.572000 -5.940000 104 Y A 2 "TYR " " CE1" 6 0 0 1 64.57 1659 + 1660 2 6.287000 -16.579000 -3.958000 104 Y A 2 "TYR " " CE2" 6 0 0 1 67.59 1660 + 1661 2 5.904000 -17.720000 -4.691000 104 Y A 2 "TYR " " CZ " 6 0 0 1 66.83 1661 + 1662 16 6.160000 -18.966000 -4.201000 104 Y A 2 "TYR " " OH " 8 0 0 1 72.46 1662 + 1663 43 6.360000 -15.122000 -8.023000 104 Y A 2 "TYR " " H " 1 0 0 1 64.13 1663 + 1664 41 6.031000 -12.297000 -7.705000 104 Y A 2 "TYR " " HA " 1 0 0 1 63.73 1664 + 1665 41 4.349000 -13.807000 -6.963000 104 Y A 2 "TYR " " HB3" 1 0 0 1 55.32 1665 + 1666 41 4.992000 -13.055000 -5.531000 104 Y A 2 "TYR " " HB2" 1 0 0 1 55.32 1666 + 1667 41 4.568000 -16.184000 -7.430000 104 Y A 2 "TYR " " HD1" 1 0 0 1 65.7 1667 + 1668 41 6.357000 -14.424000 -3.919000 104 Y A 2 "TYR " " HD2" 1 0 0 1 73.71 1668 + 1669 41 4.979000 -18.442000 -6.503000 104 Y A 2 "TYR " " HE1" 1 0 0 1 64.57 1669 + 1670 41 6.767000 -16.682000 -2.997000 104 Y A 2 "TYR " " HE2" 1 0 0 1 67.59 1670 + 1671 42 6.852000 -18.956000 -3.530000 104 Y A 2 "TYR " " HH " 1 0 0 1 72.46 1671 + 1672 25 7.756000 -11.561000 -6.022000 105 R A 2 "ARG " " N " 7 0 0 1 66.63 1672 + 1673 3 8.955000 -11.016000 -5.385000 105 R A 2 "ARG " " CA " 6 0 0 1 69.84 1673 + 1674 2 9.231000 -11.476000 -3.940000 105 R A 2 "ARG " " C " 6 0 0 1 82.1 1674 + 1675 15 10.350000 -11.938000 -3.720000 105 R A 2 "ARG " " O " 8 0 0 1 102.79 1675 + 1676 3 8.980000 -9.477000 -5.516000 105 R A 2 "ARG " " CB " 6 0 0 1 61.41 1676 + 1677 3 9.803000 -8.986000 -6.718000 105 R A 2 "ARG " " CG " 6 0 0 1 64.53 1677 + 1678 3 11.310000 -9.264000 -6.554000 105 R A 2 "ARG " " CD " 6 0 0 1 62.75 1678 + 1679 25 12.105000 -8.797000 -7.692000 105 R A 2 "ARG " " NE " 7 0 0 1 68.63 1679 + 1680 2 12.155000 -9.312000 -8.930000 105 R A 2 "ARG " " CZ " 6 0 0 1 81.22 1680 + 1681 25 11.395000 -10.354000 -9.294000 105 R A 2 "ARG " " NH1" 7 0 0 1 85.26 1681 + 1682 31 12.992000 -8.766000 -9.821000 105 R A 2 "ARG " " NH2" 7 1 0 1 92.14 1682 + 1683 43 7.038000 -10.897000 -6.272000 105 R A 2 "ARG " " H " 1 0 0 1 66.63 1683 + 1684 41 9.771000 -11.424000 -5.980000 105 R A 2 "ARG " " HA " 1 0 0 1 69.84 1684 + 1685 41 9.414000 -9.027000 -4.621000 105 R A 2 "ARG " " HB3" 1 0 0 1 61.41 1685 + 1686 41 7.964000 -9.084000 -5.573000 105 R A 2 "ARG " " HB2" 1 0 0 1 61.41 1686 + 1687 41 9.675000 -7.903000 -6.746000 105 R A 2 "ARG " " HG3" 1 0 0 1 64.53 1687 + 1688 41 9.416000 -9.357000 -7.667000 105 R A 2 "ARG " " HG2" 1 0 0 1 64.53 1688 + 1689 41 11.556000 -10.292000 -6.291000 105 R A 2 "ARG " " HD3" 1 0 0 1 62.75 1689 + 1690 41 11.656000 -8.653000 -5.721000 105 R A 2 "ARG " " HD2" 1 0 0 1 62.75 1690 + 1691 43 12.733000 -8.036000 -7.479000 105 R A 2 "ARG " " HE " 1 0 0 1 68.63 1691 + 1692 43 11.471000 -10.745000 -10.223000 105 R A 2 "ARG " "HH12" 1 0 0 1 85.26 1692 + 1693 43 10.782000 -10.790000 -8.621000 105 R A 2 "ARG " "HH11" 1 0 0 1 85.26 1693 + 1694 44 13.065000 -9.144000 -10.754000 105 R A 2 "ARG " "HH22" 1 0 0 1 92.14 1694 + 1695 44 13.571000 -7.977000 -9.563000 105 R A 2 "ARG " "HH21" 1 0 0 1 92.14 1695 + 1696 25 8.273000 -11.359000 -2.987000 106 P A 2 "PRO " " N " 7 0 0 1 69.87 1696 + 1697 3 8.515000 -11.819000 -1.608000 106 P A 2 "PRO " " CA " 6 0 0 1 49.27 1697 + 1698 2 8.534000 -13.356000 -1.544000 106 P A 2 "PRO " " C " 6 0 0 1 55.35 1698 + 1699 15 7.472000 -13.979000 -1.591000 106 P A 2 "PRO " " O " 8 0 0 1 64.88 1699 + 1700 3 7.379000 -11.172000 -0.799000 106 P A 2 "PRO " " CB " 6 0 0 1 22.71 1700 + 1701 3 6.243000 -10.994000 -1.795000 106 P A 2 "PRO " " CG " 6 0 0 1 51.73 1701 + 1702 3 6.962000 -10.712000 -3.110000 106 P A 2 "PRO " " CD " 6 0 0 1 35.83 1702 + 1703 41 9.470000 -11.440000 -1.235000 106 P A 2 "PRO " " HA " 1 0 0 1 49.27 1703 + 1704 41 7.706000 -10.194000 -0.443000 106 P A 2 "PRO " " HB3" 1 0 0 1 22.71 1704 + 1705 41 7.078000 -11.750000 0.077000 106 P A 2 "PRO " " HB2" 1 0 0 1 22.71 1705 + 1706 41 5.534000 -10.216000 -1.512000 106 P A 2 "PRO " " HG3" 1 0 0 1 51.73 1706 + 1707 41 5.690000 -11.931000 -1.881000 106 P A 2 "PRO " " HG2" 1 0 0 1 51.73 1707 + 1708 41 6.367000 -11.079000 -3.944000 106 P A 2 "PRO " " HD2" 1 0 0 1 35.83 1708 + 1709 41 7.110000 -9.640000 -3.236000 106 P A 2 "PRO " " HD3" 1 0 0 1 35.83 1709 + 1710 25 9.753000 -13.921000 -1.505000 107 S A 2 "SER " " N " 7 0 0 1 51.12 1710 + 1711 3 10.026000 -15.356000 -1.549000 107 S A 2 "SER " " CA " 6 0 0 1 49.02 1711 + 1712 2 9.369000 -16.091000 -0.370000 107 S A 2 "SER " " C " 6 0 0 1 50.02 1712 + 1713 15 9.727000 -15.848000 0.782000 107 S A 2 "SER " " O " 8 0 0 1 65.37 1713 + 1714 3 11.554000 -15.573000 -1.600000 107 S A 2 "SER " " CB " 6 0 0 1 53.05 1714 + 1715 16 11.913000 -16.940000 -1.557000 107 S A 2 "SER " " OG " 8 0 0 1 42.53 1715 + 1716 43 10.571000 -13.325000 -1.463000 107 S A 2 "SER " " H " 1 0 0 1 51.12 1716 + 1717 41 9.602000 -15.738000 -2.480000 107 S A 2 "SER " " HA " 1 0 0 1 49.02 1717 + 1718 41 12.031000 -15.085000 -0.754000 107 S A 2 "SER " " HB3" 1 0 0 1 53.05 1718 + 1719 41 11.974000 -15.127000 -2.502000 107 S A 2 "SER " " HB2" 1 0 0 1 53.05 1719 + 1720 42 11.587000 -17.370000 -2.361000 107 S A 2 "SER " " HG " 1 0 0 1 42.53 1720 + 1721 25 8.424000 -16.983000 -0.696000 108 S A 2 "SER " " N " 7 0 1 1 47.11 1721 + 1722 3 7.751000 -17.853000 0.266000 108 S A 2 "SER " " CA " 6 0 1 1 55.65 1722 + 1723 2 8.624000 -19.037000 0.713000 108 S A 2 "SER " " C " 6 0 1 1 59.09 1723 + 1724 15 8.347000 -19.614000 1.764000 108 S A 2 "SER " " O " 8 0 1 1 58.93 1724 + 1725 3 6.406000 -18.311000 -0.320000 108 S A 2 "SER " " CB " 6 0 1 1 60.84 1725 + 1726 16 5.458000 -17.289000 -0.107000 108 S A 2 "SER " " OG " 8 0 1 1 68.14 1726 + 1727 43 8.214000 -17.151000 -1.672000 108 S A 2 "SER " " H " 1 0 1 1 47.11 1727 + 1728 41 7.553000 -17.280000 1.175000 108 S A 2 "SER " " HA " 1 0 1 1 55.65 1728 + 1729 41 6.036000 -19.205000 0.181000 108 S A 2 "SER " " HB3" 1 0 1 1 60.84 1729 + 1730 41 6.479000 -18.549000 -1.382000 108 S A 2 "SER " " HB2" 1 0 1 1 60.84 1730 + 1731 42 5.257000 -17.244000 0.831000 108 S A 2 "SER " " HG " 1 0 1 1 68.14 1731 + 1732 25 9.680000 -19.342000 -0.061000 109 A A 2 "ALA " " N " 7 0 1 1 58.84 1732 + 1733 3 10.715000 -20.312000 0.278000 109 A A 2 "ALA " " CA " 6 0 1 1 62.11 1733 + 1734 2 11.654000 -19.834000 1.396000 109 A A 2 "ALA " " C " 6 0 1 1 65.76 1734 + 1735 15 12.072000 -20.665000 2.198000 109 A A 2 "ALA " " O " 8 0 1 1 59.94 1735 + 1736 3 11.517000 -20.629000 -0.986000 109 A A 2 "ALA " " CB " 6 0 1 1 54.65 1736 + 1737 43 9.820000 -18.828000 -0.922000 109 A A 2 "ALA " " H " 1 0 1 1 58.84 1737 + 1738 41 10.225000 -21.229000 0.610000 109 A A 2 "ALA " " HA " 1 0 1 1 62.11 1738 + 1739 41 12.239000 -21.428000 -0.814000 109 A A 2 "ALA " " HB1" 1 0 1 1 54.65 1739 + 1740 41 10.847000 -20.952000 -1.777000 109 A A 2 "ALA " " HB2" 1 0 1 1 54.65 1740 + 1741 41 12.054000 -19.755000 -1.354000 109 A A 2 "ALA " " HB3" 1 0 1 1 54.65 1741 + 1742 25 11.958000 -18.524000 1.447000 110 S A 2 "SER " " N " 7 0 1 1 69.84 1742 + 1743 3 12.865000 -17.903000 2.423000 110 S A 2 "SER " " CA " 6 0 1 1 71.97 1743 + 1744 2 12.428000 -18.075000 3.886000 110 S A 2 "SER " " C " 6 0 1 1 70.68 1744 + 1745 15 13.278000 -18.321000 4.743000 110 S A 2 "SER " " O " 8 0 1 1 61.07 1745 + 1746 3 13.016000 -16.409000 2.097000 110 S A 2 "SER " " CB " 6 0 1 1 69.84 1746 + 1747 16 13.758000 -16.275000 0.910000 110 S A 2 "SER " " OG " 8 0 1 1 84.63 1747 + 1748 43 11.596000 -17.904000 0.734000 110 S A 2 "SER " " H " 1 0 1 1 69.84 1748 + 1749 41 13.839000 -18.387000 2.324000 110 S A 2 "SER " " HA " 1 0 1 1 71.97 1749 + 1750 41 13.554000 -15.885000 2.889000 110 S A 2 "SER " " HB3" 1 0 1 1 69.84 1750 + 1751 41 12.050000 -15.916000 1.988000 110 S A 2 "SER " " HB2" 1 0 1 1 69.84 1751 + 1752 42 13.696000 -15.364000 0.610000 110 S A 2 "SER " " HG " 1 0 1 1 84.63 1752 + 1753 25 11.108000 -17.985000 4.122000 111 Q A 2 "GLN " " N " 7 0 1 1 74.31 1753 + 1754 3 10.469000 -18.222000 5.417000 111 Q A 2 "GLN " " CA " 6 0 1 1 71.47 1754 + 1755 2 10.584000 -19.689000 5.864000 111 Q A 2 "GLN " " C " 6 0 1 1 64.34 1755 + 1756 15 10.808000 -19.939000 7.047000 111 Q A 2 "GLN " " O " 8 0 1 1 67.97 1756 + 1757 3 8.979000 -17.836000 5.346000 111 Q A 2 "GLN " " CB " 6 0 1 1 87.82 1757 + 1758 3 8.717000 -16.396000 4.872000 111 Q A 2 "GLN " " CG " 6 0 1 1 106.14 1758 + 1759 2 7.291000 -15.943000 5.184000 111 Q A 2 "GLN " " CD " 6 0 1 1 119.26 1759 + 1760 15 7.088000 -14.999000 5.945000 111 Q A 2 "GLN " " OE1" 8 0 1 1 124.66 1760 + 1761 25 6.297000 -16.633000 4.621000 111 Q A 2 "GLN " " NE2" 7 0 1 1 123.74 1761 + 1762 43 10.487000 -17.781000 3.352000 111 Q A 2 "GLN " " H " 1 0 1 1 74.31 1762 + 1763 41 10.964000 -17.594000 6.161000 111 Q A 2 "GLN " " HA " 1 0 1 1 71.47 1763 + 1764 41 8.547000 -17.972000 6.339000 111 Q A 2 "GLN " " HB3" 1 0 1 1 87.82 1764 + 1765 41 8.444000 -18.527000 4.690000 111 Q A 2 "GLN " " HB2" 1 0 1 1 87.82 1765 + 1766 41 8.901000 -16.299000 3.801000 111 Q A 2 "GLN " " HG3" 1 0 1 1 106.14 1766 + 1767 41 9.409000 -15.717000 5.366000 111 Q A 2 "GLN " " HG2" 1 0 1 1 106.14 1767 + 1768 43 5.337000 -16.371000 4.792000 111 Q A 2 "GLN " "HE22" 1 0 1 1 123.74 1768 + 1769 43 6.497000 -17.411000 4.010000 111 Q A 2 "GLN " "HE21" 1 0 1 1 123.74 1769 + 1770 25 10.430000 -20.617000 4.902000 112 C A 2 "CYS " " N " 7 0 1 1 61.06 1770 + 1771 3 10.491000 -22.065000 5.105000 112 C A 2 "CYS " " CA " 6 0 1 1 56.25 1771 + 1772 2 11.913000 -22.531000 5.444000 112 C A 2 "CYS " " C " 6 0 1 1 51.94 1772 + 1773 15 12.070000 -23.327000 6.368000 112 C A 2 "CYS " " O " 8 0 1 1 58.06 1773 + 1774 3 9.989000 -22.846000 3.878000 112 C A 2 "CYS " " CB " 6 0 1 1 60.11 1774 + 1775 49 8.269000 -22.430000 3.521000 112 C A 2 "CYS " " SG " 16 0 1 1 71.63 1775 + 1776 43 10.268000 -20.313000 3.953000 112 C A 2 "CYS " " H " 1 0 1 1 61.06 1776 + 1777 41 9.848000 -22.312000 5.953000 112 C A 2 "CYS " " HA " 1 0 1 1 56.25 1777 + 1778 41 10.052000 -23.920000 4.055000 112 C A 2 "CYS " " HB3" 1 0 1 1 60.11 1778 + 1779 41 10.583000 -22.630000 2.993000 112 C A 2 "CYS " " HB2" 1 0 1 1 60.11 1779 + 1780 41 8.504000 -21.200000 3.050000 112 C A 2 "CYS " " HG " 1 0 1 1 71.63 1780 + 1781 25 12.912000 -22.004000 4.709000 113 V A 2 "VAL " " N " 7 0 1 1 47.5 1781 + 1782 3 14.338000 -22.245000 4.932000 113 V A 2 "VAL " " CA " 6 0 1 1 44.31 1782 + 1783 2 14.769000 -21.837000 6.352000 113 V A 2 "VAL " " C " 6 0 1 1 56.34 1783 + 1784 15 15.363000 -22.660000 7.043000 113 V A 2 "VAL " " O " 8 0 1 1 64.54 1784 + 1785 3 15.231000 -21.519000 3.876000 113 V A 2 "VAL " " CB " 6 0 1 1 35.98 1785 + 1786 3 16.719000 -21.386000 4.263000 113 V A 2 "VAL " " CG1" 6 0 1 1 50.56 1786 + 1787 3 15.132000 -22.188000 2.496000 113 V A 2 "VAL " " CG2" 6 0 1 1 43.55 1787 + 1788 43 12.686000 -21.365000 3.957000 113 V A 2 "VAL " " H " 1 0 1 1 47.5 1788 + 1789 41 14.499000 -23.321000 4.836000 113 V A 2 "VAL " " HA " 1 0 1 1 44.31 1789 + 1790 41 14.848000 -20.505000 3.750000 113 V A 2 "VAL " " HB " 1 0 1 1 35.98 1790 + 1791 41 17.344000 -21.124000 3.409000 113 V A 2 "VAL " "HG11" 1 0 1 1 50.56 1791 + 1792 41 16.854000 -20.602000 5.006000 113 V A 2 "VAL " "HG12" 1 0 1 1 50.56 1792 + 1793 41 17.105000 -22.315000 4.678000 113 V A 2 "VAL " "HG13" 1 0 1 1 50.56 1793 + 1794 41 15.706000 -21.641000 1.747000 113 V A 2 "VAL " "HG21" 1 0 1 1 43.55 1794 + 1795 41 15.515000 -23.208000 2.526000 113 V A 2 "VAL " "HG22" 1 0 1 1 43.55 1795 + 1796 41 14.105000 -22.227000 2.141000 113 V A 2 "VAL " "HG23" 1 0 1 1 43.55 1796 + 1797 25 14.414000 -20.610000 6.770000 114 A A 2 "ALA " " N " 7 0 1 1 57.41 1797 + 1798 3 14.695000 -20.087000 8.105000 114 A A 2 "ALA " " CA " 6 0 1 1 59.36 1798 + 1799 2 13.953000 -20.818000 9.233000 114 A A 2 "ALA " " C " 6 0 1 1 62.3 1799 + 1800 15 14.552000 -21.034000 10.283000 114 A A 2 "ALA " " O " 8 0 1 1 73.16 1800 + 1801 3 14.406000 -18.588000 8.129000 114 A A 2 "ALA " " CB " 6 0 1 1 61.28 1801 + 1802 43 13.916000 -19.992000 6.143000 114 A A 2 "ALA " " H " 1 0 1 1 57.41 1802 + 1803 41 15.761000 -20.211000 8.285000 114 A A 2 "ALA " " HA " 1 0 1 1 59.36 1803 + 1804 41 14.624000 -18.150000 9.105000 114 A A 2 "ALA " " HB1" 1 0 1 1 61.28 1804 + 1805 41 15.038000 -18.087000 7.396000 114 A A 2 "ALA " " HB2" 1 0 1 1 61.28 1805 + 1806 41 13.365000 -18.370000 7.885000 114 A A 2 "ALA " " HB3" 1 0 1 1 61.28 1806 + 1807 25 12.693000 -21.223000 8.990000 115 G A 2 "GLY " " N " 7 0 1 1 59.6 1807 + 1808 3 11.855000 -21.944000 9.950000 115 G A 2 "GLY " " CA " 6 0 1 1 60.23 1808 + 1809 2 12.417000 -23.336000 10.289000 115 G A 2 "GLY " " C " 6 0 1 1 63.52 1809 + 1810 15 12.315000 -23.759000 11.440000 115 G A 2 "GLY " " O " 8 0 1 1 64.29 1810 + 1811 43 12.271000 -20.998000 8.099000 115 G A 2 "GLY " " H " 1 0 1 1 59.6 1811 + 1812 41 10.858000 -22.063000 9.526000 115 G A 2 "GLY " " HA3" 1 0 1 1 60.23 1812 + 1813 41 11.749000 -21.355000 10.862000 115 G A 2 "GLY " " HA2" 1 0 1 1 60.23 1813 + 1814 25 13.032000 -24.023000 9.308000 116 I A 2 "ILE " " N " 7 0 1 1 56.16 1814 + 1815 3 13.683000 -25.322000 9.498000 116 I A 2 "ILE " " CA " 6 0 1 1 50.65 1815 + 1816 2 15.127000 -25.159000 10.016000 116 I A 2 "ILE " " C " 6 0 1 1 51.96 1816 + 1817 15 15.533000 -25.941000 10.873000 116 I A 2 "ILE " " O " 8 0 1 1 56.72 1817 + 1818 3 13.713000 -26.169000 8.191000 116 I A 2 "ILE " " CB " 6 0 1 1 45.86 1818 + 1819 3 12.293000 -26.480000 7.678000 116 I A 2 "ILE " " CG1" 6 0 1 1 53.63 1819 + 1820 3 14.519000 -27.483000 8.323000 116 I A 2 "ILE " " CG2" 6 0 1 1 43.75 1820 + 1821 3 12.241000 -27.060000 6.257000 116 I A 2 "ILE " " CD1" 6 0 1 1 56.75 1821 + 1822 43 13.074000 -23.632000 8.377000 116 I A 2 "ILE " " H " 1 0 1 1 56.16 1822 + 1823 41 13.125000 -25.891000 10.245000 116 I A 2 "ILE " " HA " 1 0 1 1 50.65 1823 + 1824 41 14.176000 -25.557000 7.421000 116 I A 2 "ILE " " HB " 1 0 1 1 45.86 1824 + 1825 41 11.711000 -25.564000 7.659000 116 I A 2 "ILE " "HG13" 1 0 1 1 53.63 1825 + 1826 41 11.790000 -27.153000 8.371000 116 I A 2 "ILE " "HG12" 1 0 1 1 53.63 1826 + 1827 41 14.448000 -28.093000 7.428000 116 I A 2 "ILE " "HG21" 1 0 1 1 43.75 1827 + 1828 41 15.581000 -27.317000 8.491000 116 I A 2 "ILE " "HG22" 1 0 1 1 43.75 1828 + 1829 41 14.155000 -28.078000 9.157000 116 I A 2 "ILE " "HG23" 1 0 1 1 43.75 1829 + 1830 41 11.272000 -26.865000 5.796000 116 I A 2 "ILE " "HD11" 1 0 1 1 56.75 1830 + 1831 41 13.003000 -26.618000 5.614000 116 I A 2 "ILE " "HD12" 1 0 1 1 56.75 1831 + 1832 41 12.392000 -28.139000 6.260000 116 I A 2 "ILE " "HD13" 1 0 1 1 56.75 1832 + 1833 25 15.861000 -24.148000 9.512000 117 A A 2 "ALA " " N " 7 0 1 1 56.27 1833 + 1834 3 17.226000 -23.802000 9.924000 117 A A 2 "ALA " " CA " 6 0 1 1 55.46 1834 + 1835 2 17.341000 -23.481000 11.418000 117 A A 2 "ALA " " C " 6 0 1 1 56.05 1835 + 1836 15 18.291000 -23.930000 12.051000 117 A A 2 "ALA " " O " 8 0 1 1 56.47 1836 + 1837 3 17.715000 -22.590000 9.123000 117 A A 2 "ALA " " CB " 6 0 1 1 40.41 1837 + 1838 43 15.460000 -23.557000 8.795000 117 A A 2 "ALA " " H " 1 0 1 1 56.27 1838 + 1839 41 17.871000 -24.653000 9.699000 117 A A 2 "ALA " " HA " 1 0 1 1 55.46 1839 + 1840 41 18.739000 -22.325000 9.379000 117 A A 2 "ALA " " HB1" 1 0 1 1 40.41 1840 + 1841 41 17.682000 -22.774000 8.054000 117 A A 2 "ALA " " HB2" 1 0 1 1 40.41 1841 + 1842 41 17.097000 -21.718000 9.327000 117 A A 2 "ALA " " HB3" 1 0 1 1 40.41 1842 + 1843 25 16.343000 -22.759000 11.955000 118 C A 2 "CYS " " N " 7 0 1 1 58.9 1843 + 1844 3 16.204000 -22.434000 13.375000 118 C A 2 "CYS " " CA " 6 0 1 1 57.85 1844 + 1845 2 16.017000 -23.668000 14.276000 118 C A 2 "CYS " " C " 6 0 1 1 61.69 1845 + 1846 15 16.391000 -23.595000 15.445000 118 C A 2 "CYS " " O " 8 0 1 1 69.83 1846 + 1847 3 15.055000 -21.440000 13.623000 118 C A 2 "CYS " " CB " 6 0 1 1 68.89 1847 + 1848 49 15.541000 -19.785000 13.082000 118 C A 2 "CYS " " SG " 16 0 1 1 87.05 1848 + 1849 43 15.610000 -22.407000 11.352000 118 C A 2 "CYS " " H " 1 0 1 1 58.9 1849 + 1850 41 17.135000 -21.968000 13.694000 118 C A 2 "CYS " " HA " 1 0 1 1 57.85 1850 + 1851 41 14.826000 -21.363000 14.685000 118 C A 2 "CYS " " HB3" 1 0 1 1 68.89 1851 + 1852 41 14.143000 -21.747000 13.110000 118 C A 2 "CYS " " HB2" 1 0 1 1 68.89 1852 + 1853 41 16.501000 -19.608000 13.993000 118 C A 2 "CYS " " HG " 1 0 1 1 87.05 1853 + 1854 25 15.465000 -24.765000 13.729000 119 A A 2 "ALA " " N " 7 0 1 1 61.2 1854 + 1855 3 15.278000 -26.032000 14.433000 119 A A 2 "ALA " " CA " 6 0 1 1 54.18 1855 + 1856 2 16.481000 -26.982000 14.285000 119 A A 2 "ALA " " C " 6 0 1 1 53.63 1856 + 1857 15 16.751000 -27.721000 15.230000 119 A A 2 "ALA " " O " 8 0 1 1 52.68 1857 + 1858 3 14.005000 -26.715000 13.907000 119 A A 2 "ALA " " CB " 6 0 1 1 28.85 1858 + 1859 43 15.191000 -24.754000 12.756000 119 A A 2 "ALA " " H " 1 0 1 1 61.2 1859 + 1860 41 15.129000 -25.832000 15.497000 119 A A 2 "ALA " " HA " 1 0 1 1 54.18 1860 + 1861 41 13.713000 -27.547000 14.549000 119 A A 2 "ALA " " HB1" 1 0 1 1 28.85 1861 + 1862 41 13.165000 -26.026000 13.861000 119 A A 2 "ALA " " HB2" 1 0 1 1 28.85 1862 + 1863 41 14.145000 -27.111000 12.900000 119 A A 2 "ALA " " HB3" 1 0 1 1 28.85 1863 + 1864 25 17.154000 -26.974000 13.117000 120 E A 2 "GLU " " N " 7 0 1 1 52.78 1864 + 1865 3 18.135000 -27.998000 12.739000 120 E A 2 "GLU " " CA " 6 0 1 1 60.09 1865 + 1866 2 19.608000 -27.580000 12.816000 120 E A 2 "GLU " " C " 6 0 1 1 57.06 1866 + 1867 15 20.411000 -28.437000 13.177000 120 E A 2 "GLU " " O " 8 0 1 1 62.4 1867 + 1868 3 17.817000 -28.581000 11.352000 120 E A 2 "GLU " " CB " 6 0 1 1 66.2 1868 + 1869 3 16.610000 -29.540000 11.390000 120 E A 2 "GLU " " CG " 6 0 1 1 66.32 1869 + 1870 2 16.437000 -30.374000 10.123000 120 E A 2 "GLU " " CD " 6 0 1 1 63.87 1870 + 1871 15 17.395000 -30.436000 9.332000 120 E A 2 "GLU " " OE1" 8 0 1 1 59.57 1871 + 1872 18 15.366000 -30.998000 9.980000 120 E A 2 "GLU " " OE2" 8 -1 1 1 66.14 1872 + 1873 43 16.863000 -26.343000 12.382000 120 E A 2 "GLU " " H " 1 0 1 1 52.78 1873 + 1874 41 18.055000 -28.832000 13.438000 120 E A 2 "GLU " " HA " 1 0 1 1 60.09 1874 + 1875 41 18.697000 -29.107000 10.977000 120 E A 2 "GLU " " HB3" 1 0 1 1 66.2 1875 + 1876 41 17.624000 -27.778000 10.639000 120 E A 2 "GLU " " HB2" 1 0 1 1 66.2 1876 + 1877 41 15.693000 -28.990000 11.602000 120 E A 2 "GLU " " HG3" 1 0 1 1 66.32 1877 + 1878 41 16.754000 -30.254000 12.197000 120 E A 2 "GLU " " HG2" 1 0 1 1 66.32 1878 + 1879 25 19.965000 -26.321000 12.502000 121 I A 2 "ILE " " N " 7 0 0 1 55.81 1879 + 1880 3 21.340000 -25.817000 12.662000 121 I A 2 "ILE " " CA " 6 0 0 1 52.06 1880 + 1881 2 21.908000 -25.922000 14.105000 121 I A 2 "ILE " " C " 6 0 0 1 56.78 1881 + 1882 15 23.052000 -26.364000 14.217000 121 I A 2 "ILE " " O " 8 0 0 1 55.3 1882 + 1883 3 21.561000 -24.376000 12.094000 121 I A 2 "ILE " " CB " 6 0 0 1 44.05 1883 + 1884 3 21.372000 -24.359000 10.558000 121 I A 2 "ILE " " CG1" 6 0 0 1 49.82 1884 + 1885 3 22.916000 -23.724000 12.473000 121 I A 2 "ILE " " CG2" 6 0 0 1 37.91 1885 + 1886 3 21.434000 -22.959000 9.927000 121 I A 2 "ILE " " CD1" 6 0 0 1 53.45 1886 + 1887 43 19.266000 -25.644000 12.221000 121 I A 2 "ILE " " H " 1 0 0 1 55.81 1887 + 1888 41 21.958000 -26.481000 12.054000 121 I A 2 "ILE " " HA " 1 0 0 1 52.06 1888 + 1889 41 20.785000 -23.745000 12.517000 121 I A 2 "ILE " " HB " 1 0 0 1 44.05 1889 + 1890 41 20.418000 -24.815000 10.292000 121 I A 2 "ILE " "HG13" 1 0 0 1 49.82 1890 + 1891 41 22.136000 -24.984000 10.095000 121 I A 2 "ILE " "HG12" 1 0 0 1 49.82 1891 + 1892 41 23.035000 -22.734000 12.034000 121 I A 2 "ILE " "HG21" 1 0 0 1 37.91 1892 + 1893 41 23.019000 -23.573000 13.548000 121 I A 2 "ILE " "HG22" 1 0 0 1 37.91 1893 + 1894 41 23.752000 -24.339000 12.141000 121 I A 2 "ILE " "HG23" 1 0 0 1 37.91 1894 + 1895 41 20.967000 -22.958000 8.944000 121 I A 2 "ILE " "HD11" 1 0 0 1 53.45 1895 + 1896 41 20.923000 -22.217000 10.540000 121 I A 2 "ILE " "HD12" 1 0 0 1 53.45 1896 + 1897 41 22.464000 -22.630000 9.788000 121 I A 2 "ILE " "HD13" 1 0 0 1 53.45 1897 + 1898 25 21.117000 -25.633000 15.174000 122 P A 2 "PRO " " N " 7 0 0 1 58.1 1898 + 1899 3 21.580000 -25.849000 16.561000 122 P A 2 "PRO " " CA " 6 0 0 1 58.4 1899 + 1900 2 21.867000 -27.299000 16.993000 122 P A 2 "PRO " " C " 6 0 0 1 56.11 1900 + 1901 15 22.614000 -27.472000 17.955000 122 P A 2 "PRO " " O " 8 0 0 1 66.95 1901 + 1902 3 20.509000 -25.179000 17.441000 122 P A 2 "PRO " " CB " 6 0 0 1 51.59 1902 + 1903 3 19.277000 -25.102000 16.563000 122 P A 2 "PRO " " CG " 6 0 0 1 64.6 1903 + 1904 3 19.870000 -24.858000 15.186000 122 P A 2 "PRO " " CD " 6 0 0 1 58.2 1904 + 1905 41 22.520000 -25.320000 16.691000 122 P A 2 "PRO " " HA " 1 0 0 1 58.4 1905 + 1906 41 20.831000 -24.169000 17.695000 122 P A 2 "PRO " " HB3" 1 0 0 1 51.59 1906 + 1907 41 20.314000 -25.700000 18.380000 122 P A 2 "PRO " " HB2" 1 0 0 1 51.59 1907 + 1908 41 18.574000 -24.330000 16.876000 122 P A 2 "PRO " " HG3" 1 0 0 1 64.6 1908 + 1909 41 18.756000 -26.061000 16.574000 122 P A 2 "PRO " " HG2" 1 0 0 1 64.6 1909 + 1910 41 19.130000 -25.104000 14.431000 122 P A 2 "PRO " " HD2" 1 0 0 1 58.2 1910 + 1911 41 20.127000 -23.806000 15.073000 122 P A 2 "PRO " " HD3" 1 0 0 1 58.2 1911 + 1912 25 21.316000 -28.298000 16.282000 123 V A 2 "VAL " " N " 7 0 0 1 54.87 1912 + 1913 3 21.566000 -29.723000 16.531000 123 V A 2 "VAL " " CA " 6 0 0 1 53.47 1913 + 1914 2 22.317000 -30.405000 15.361000 123 V A 2 "VAL " " C " 6 0 0 1 58.48 1914 + 1915 15 22.383000 -31.634000 15.325000 123 V A 2 "VAL " " O " 8 0 0 1 60.21 1915 + 1916 3 20.247000 -30.488000 16.843000 123 V A 2 "VAL " " CB " 6 0 0 1 40.61 1916 + 1917 3 19.610000 -30.004000 18.158000 123 V A 2 "VAL " " CG1" 6 0 0 1 29.95 1917 + 1918 3 19.216000 -30.461000 15.703000 123 V A 2 "VAL " " CG2" 6 0 0 1 42.1 1918 + 1919 43 20.711000 -28.085000 15.502000 123 V A 2 "VAL " " H " 1 0 0 1 54.87 1919 + 1920 41 22.222000 -29.845000 17.394000 123 V A 2 "VAL " " HA " 1 0 0 1 53.47 1920 + 1921 41 20.499000 -31.536000 17.012000 123 V A 2 "VAL " " HB " 1 0 0 1 40.61 1921 + 1922 41 18.727000 -30.593000 18.405000 123 V A 2 "VAL " "HG11" 1 0 0 1 29.95 1922 + 1923 41 20.309000 -30.093000 18.990000 123 V A 2 "VAL " "HG12" 1 0 0 1 29.95 1923 + 1924 41 19.300000 -28.960000 18.093000 123 V A 2 "VAL " "HG13" 1 0 0 1 29.95 1924 + 1925 41 18.374000 -31.114000 15.930000 123 V A 2 "VAL " "HG21" 1 0 0 1 42.1 1925 + 1926 41 18.826000 -29.455000 15.556000 123 V A 2 "VAL " "HG22" 1 0 0 1 42.1 1926 + 1927 41 19.636000 -30.791000 14.756000 123 V A 2 "VAL " "HG23" 1 0 0 1 42.1 1927 + 1928 25 22.900000 -29.602000 14.447000 124 N A 2 "ASN " " N " 7 0 0 1 61.98 1928 + 1929 3 23.748000 -30.012000 13.314000 124 N A 2 "ASN " " CA " 6 0 0 1 73.05 1929 + 1930 2 23.055000 -30.975000 12.322000 124 N A 2 "ASN " " C " 6 0 0 1 72.13 1930 + 1931 15 23.734000 -31.806000 11.719000 124 N A 2 "ASN " " O " 8 0 0 1 69.21 1931 + 1932 3 25.103000 -30.588000 13.817000 124 N A 2 "ASN " " CB " 6 0 0 1 75.29 1932 + 1933 2 25.915000 -29.609000 14.667000 124 N A 2 "ASN " " CG " 6 0 0 1 84.44 1933 + 1934 15 26.289000 -28.538000 14.197000 124 N A 2 "ASN " " OD1" 8 0 0 1 96.92 1934 + 1935 25 26.208000 -29.981000 15.915000 124 N A 2 "ASN " " ND2" 7 0 0 1 94.95 1935 + 1936 43 22.800000 -28.603000 14.561000 124 N A 2 "ASN " " H " 1 0 0 1 61.98 1936 + 1937 41 23.951000 -29.099000 12.751000 124 N A 2 "ASN " " HA " 1 0 0 1 73.05 1937 + 1938 41 25.738000 -30.851000 12.969000 124 N A 2 "ASN " " HB3" 1 0 0 1 75.29 1938 + 1939 41 24.941000 -31.515000 14.370000 124 N A 2 "ASN " " HB2" 1 0 0 1 75.29 1939 + 1940 43 26.747000 -29.368000 16.509000 124 N A 2 "ASN " "HD22" 1 0 0 1 94.95 1940 + 1941 43 25.889000 -30.869000 16.275000 124 N A 2 "ASN " "HD21" 1 0 0 1 94.95 1941 + 1942 25 21.725000 -30.858000 12.165000 125 Q A 2 "GLN " " N " 7 0 0 1 70.19 1942 + 1943 3 20.913000 -31.720000 11.298000 125 Q A 2 "GLN " " CA " 6 0 0 1 70.87 1943 + 1944 2 20.715000 -31.201000 9.863000 125 Q A 2 "GLN " " C " 6 0 0 1 70.43 1944 + 1945 15 20.051000 -31.889000 9.087000 125 Q A 2 "GLN " " O " 8 0 0 1 80.8 1945 + 1946 3 19.578000 -32.074000 11.992000 125 Q A 2 "GLN " " CB " 6 0 0 1 70.57 1946 + 1947 3 19.741000 -33.198000 13.035000 125 Q A 2 "GLN " " CG " 6 0 0 1 61.24 1947 + 1948 2 18.404000 -33.800000 13.470000 125 Q A 2 "GLN " " CD " 6 0 0 1 75.49 1948 + 1949 15 17.598000 -34.205000 12.635000 125 Q A 2 "GLN " " OE1" 8 0 0 1 72.18 1949 + 1950 25 18.179000 -33.906000 14.781000 125 Q A 2 "GLN " " NE2" 7 0 0 1 79.15 1950 + 1951 43 21.226000 -30.144000 12.681000 125 Q A 2 "GLN " " H " 1 0 0 1 70.19 1951 + 1952 41 21.446000 -32.661000 11.155000 125 Q A 2 "GLN " " HA " 1 0 0 1 70.87 1952 + 1953 41 18.847000 -32.393000 11.247000 125 Q A 2 "GLN " " HB3" 1 0 0 1 70.57 1953 + 1954 41 19.146000 -31.187000 12.457000 125 Q A 2 "GLN " " HB2" 1 0 0 1 70.57 1954 + 1955 41 20.306000 -32.842000 13.897000 125 Q A 2 "GLN " " HG3" 1 0 0 1 61.24 1955 + 1956 41 20.322000 -34.017000 12.609000 125 Q A 2 "GLN " " HG2" 1 0 0 1 61.24 1956 + 1957 43 17.319000 -34.314000 15.116000 125 Q A 2 "GLN " "HE22" 1 0 0 1 79.15 1957 + 1958 43 18.867000 -33.583000 15.446000 125 Q A 2 "GLN " "HE21" 1 0 0 1 79.15 1958 + 1959 25 21.315000 -30.052000 9.505000 126 W A 2 "TRP " " N " 7 0 0 1 61.46 1959 + 1960 3 21.297000 -29.539000 8.131000 126 W A 2 "TRP " " CA " 6 0 0 1 60.62 1960 + 1961 2 22.616000 -28.824000 7.764000 126 W A 2 "TRP " " C " 6 0 0 1 57.34 1961 + 1962 15 22.571000 -27.645000 7.408000 126 W A 2 "TRP " " O " 8 0 0 1 63.65 1962 + 1963 3 20.032000 -28.673000 7.919000 126 W A 2 "TRP " " CB " 6 0 0 1 51.99 1963 + 1964 2 19.582000 -28.393000 6.512000 126 W A 2 "TRP " " CG " 6 0 0 1 55.55 1964 + 1965 2 20.054000 -28.965000 5.379000 126 W A 2 "TRP " " CD1" 6 0 0 1 64.63 1965 + 1966 2 18.503000 -27.507000 6.081000 126 W A 2 "TRP " " CD2" 6 0 0 1 50.2 1966 + 1967 25 19.351000 -28.499000 4.288000 126 W A 2 "TRP " " NE1" 7 0 0 1 54.62 1967 + 1968 2 18.371000 -27.606000 4.661000 126 W A 2 "TRP " " CE2" 6 0 0 1 49.83 1968 + 1969 2 17.624000 -26.623000 6.745000 126 W A 2 "TRP " " CE3" 6 0 0 1 52.48 1969 + 1970 2 17.398000 -26.888000 3.942000 126 W A 2 "TRP " " CZ2" 6 0 0 1 42.31 1970 + 1971 2 16.671000 -25.871000 6.029000 126 W A 2 "TRP " " CZ3" 6 0 0 1 52.95 1971 + 1972 2 16.542000 -26.013000 4.634000 126 W A 2 "TRP " " CH2" 6 0 0 1 43.08 1972 + 1973 43 21.859000 -29.534000 10.180000 126 W A 2 "TRP " " H " 1 0 0 1 61.46 1973 + 1974 41 21.223000 -30.396000 7.462000 126 W A 2 "TRP " " HA " 1 0 0 1 60.62 1974 + 1975 41 20.120000 -27.729000 8.459000 126 W A 2 "TRP " " HB3" 1 0 0 1 51.99 1975 + 1976 41 19.188000 -29.176000 8.372000 126 W A 2 "TRP " " HB2" 1 0 0 1 51.99 1976 + 1977 41 20.856000 -29.682000 5.336000 126 W A 2 "TRP " " HD1" 1 0 0 1 64.63 1977 + 1978 43 19.547000 -28.805000 3.345000 126 W A 2 "TRP " " HE1" 1 0 0 1 54.62 1978 + 1979 41 17.702000 -26.502000 7.815000 126 W A 2 "TRP " " HE3" 1 0 0 1 52.48 1979 + 1980 41 17.317000 -26.995000 2.871000 126 W A 2 "TRP " " HZ2" 1 0 0 1 42.31 1980 + 1981 41 16.048000 -25.166000 6.552000 126 W A 2 "TRP " " HZ3" 1 0 0 1 52.95 1981 + 1982 41 15.804000 -25.439000 4.095000 126 W A 2 "TRP " " HH2" 1 0 0 1 43.08 1982 + 1983 25 23.777000 -29.524000 7.853000 127 P A 2 "PRO " " N " 7 0 0 1 60.29 1983 + 1984 3 25.089000 -28.943000 7.500000 127 P A 2 "PRO " " CA " 6 0 0 1 61.05 1984 + 1985 2 25.277000 -28.554000 6.019000 127 P A 2 "PRO " " C " 6 0 0 1 64.62 1985 + 1986 15 26.191000 -27.782000 5.731000 127 P A 2 "PRO " " O " 8 0 0 1 75.9 1986 + 1987 3 26.095000 -30.027000 7.924000 127 P A 2 "PRO " " CB " 6 0 0 1 63.89 1987 + 1988 3 25.319000 -31.327000 7.795000 127 P A 2 "PRO " " CG " 6 0 0 1 54.57 1988 + 1989 3 23.932000 -30.921000 8.271000 127 P A 2 "PRO " " CD " 6 0 0 1 61.83 1989 + 1990 41 25.259000 -28.043000 8.095000 127 P A 2 "PRO " " HA " 1 0 0 1 61.05 1990 + 1991 41 26.376000 -29.870000 8.966000 127 P A 2 "PRO " " HB3" 1 0 0 1 63.89 1991 + 1992 41 27.015000 -30.033000 7.337000 127 P A 2 "PRO " " HB2" 1 0 0 1 63.89 1992 + 1993 41 25.749000 -32.148000 8.370000 127 P A 2 "PRO " " HG3" 1 0 0 1 54.57 1993 + 1994 41 25.276000 -31.630000 6.748000 127 P A 2 "PRO " " HG2" 1 0 0 1 54.57 1994 + 1995 41 23.165000 -31.595000 7.893000 127 P A 2 "PRO " " HD2" 1 0 0 1 61.83 1995 + 1996 41 23.899000 -30.949000 9.357000 127 P A 2 "PRO " " HD3" 1 0 0 1 61.83 1996 + 1997 25 24.419000 -29.070000 5.121000 128 E A 2 "GLU " " N " 7 0 0 1 66 1997 + 1998 3 24.403000 -28.755000 3.693000 128 E A 2 "GLU " " CA " 6 0 0 1 64.7 1998 + 1999 2 23.882000 -27.338000 3.399000 128 E A 2 "GLU " " C " 6 0 0 1 64.8 1999 + 2000 15 24.273000 -26.778000 2.379000 128 E A 2 "GLU " " O " 8 0 0 1 66.77 2000 + 2001 3 23.544000 -29.772000 2.898000 128 E A 2 "GLU " " CB " 6 0 0 1 71.55 2001 + 2002 3 23.728000 -31.267000 3.241000 128 E A 2 "GLU " " CG " 6 0 0 1 94.15 2002 + 2003 2 22.701000 -31.782000 4.255000 128 E A 2 "GLU " " CD " 6 0 0 1 103.74 2003 + 2004 15 22.736000 -31.301000 5.406000 128 E A 2 "GLU " " OE1" 8 0 0 1 108.39 2004 + 2005 18 21.881000 -32.639000 3.862000 128 E A 2 "GLU " " OE2" 8 -1 0 1 106.23 2005 + 2006 43 23.729000 -29.750000 5.422000 128 E A 2 "GLU " " H " 1 0 0 1 66 2006 + 2007 41 25.431000 -28.823000 3.330000 128 E A 2 "GLU " " HA " 1 0 0 1 64.7 2007 + 2008 41 23.772000 -29.645000 1.838000 128 E A 2 "GLU " " HB3" 1 0 0 1 71.55 2008 + 2009 41 22.486000 -29.511000 2.985000 128 E A 2 "GLU " " HB2" 1 0 0 1 71.55 2009 + 2010 41 24.737000 -31.461000 3.606000 128 E A 2 "GLU " " HG3" 1 0 0 1 94.15 2010 + 2011 41 23.620000 -31.855000 2.329000 128 E A 2 "GLU " " HG2" 1 0 0 1 94.15 2011 + 2012 25 23.000000 -26.804000 4.265000 129 L A 2 "LEU " " N " 7 0 1 1 56.98 2012 + 2013 3 22.241000 -25.572000 4.049000 129 L A 2 "LEU " " CA " 6 0 1 1 53.87 2013 + 2014 2 23.097000 -24.334000 3.766000 129 L A 2 "LEU " " C " 6 0 1 1 58.72 2014 + 2015 15 22.934000 -23.731000 2.709000 129 L A 2 "LEU " " O " 8 0 1 1 62.18 2015 + 2016 3 21.303000 -25.322000 5.248000 129 L A 2 "LEU " " CB " 6 0 1 1 45.3 2016 + 2017 3 20.385000 -24.083000 5.133000 129 L A 2 "LEU " " CG " 6 0 1 1 45.26 2017 + 2018 3 19.475000 -24.140000 3.886000 129 L A 2 "LEU " " CD1" 6 0 1 1 51.97 2018 + 2019 3 19.601000 -23.861000 6.436000 129 L A 2 "LEU " " CD2" 6 0 1 1 45.81 2019 + 2020 43 22.756000 -27.329000 5.094000 129 L A 2 "LEU " " H " 1 0 1 1 56.98 2020 + 2021 41 21.637000 -25.756000 3.160000 129 L A 2 "LEU " " HA " 1 0 1 1 53.87 2021 + 2022 41 21.903000 -25.232000 6.156000 129 L A 2 "LEU " " HB3" 1 0 1 1 45.3 2022 + 2023 41 20.690000 -26.202000 5.393000 129 L A 2 "LEU " " HB2" 1 0 1 1 45.3 2023 + 2024 41 21.018000 -23.203000 5.028000 129 L A 2 "LEU " " HG " 1 0 1 1 45.26 2024 + 2025 41 18.423000 -23.998000 4.117000 129 L A 2 "LEU " "HD11" 1 0 1 1 51.97 2025 + 2026 41 19.744000 -23.368000 3.170000 129 L A 2 "LEU " "HD12" 1 0 1 1 51.97 2026 + 2027 41 19.541000 -25.095000 3.366000 129 L A 2 "LEU " "HD13" 1 0 1 1 51.97 2027 + 2028 41 19.894000 -22.919000 6.897000 129 L A 2 "LEU " "HD21" 1 0 1 1 45.81 2028 + 2029 41 18.527000 -23.817000 6.273000 129 L A 2 "LEU " "HD22" 1 0 1 1 45.81 2029 + 2030 41 19.785000 -24.646000 7.170000 129 L A 2 "LEU " "HD23" 1 0 1 1 45.81 2030 + 2031 25 23.961000 -23.964000 4.722000 130 I A 2 "ILE " " N " 7 0 1 1 59.64 2031 + 2032 3 24.790000 -22.765000 4.635000 130 I A 2 "ILE " " CA " 6 0 1 1 55.65 2032 + 2033 2 25.774000 -22.760000 3.438000 130 I A 2 "ILE " " C " 6 0 1 1 54.72 2033 + 2034 15 25.719000 -21.788000 2.687000 130 I A 2 "ILE " " O " 8 0 1 1 53.49 2034 + 2035 3 25.528000 -22.448000 5.971000 130 I A 2 "ILE " " CB " 6 0 1 1 52.37 2035 + 2036 3 24.541000 -22.265000 7.153000 130 I A 2 "ILE " " CG1" 6 0 1 1 52.73 2036 + 2037 3 26.496000 -21.247000 5.883000 130 I A 2 "ILE " " CG2" 6 0 1 1 36.31 2037 + 2038 3 23.497000 -21.149000 6.981000 130 I A 2 "ILE " " CD1" 6 0 1 1 37.73 2038 + 2039 43 24.045000 -24.516000 5.564000 130 I A 2 "ILE " " H " 1 0 1 1 59.64 2039 + 2040 41 24.098000 -21.940000 4.450000 130 I A 2 "ILE " " HA " 1 0 1 1 55.65 2040 + 2041 41 26.132000 -23.315000 6.234000 130 I A 2 "ILE " " HB " 1 0 1 1 52.37 2041 + 2042 41 25.101000 -22.085000 8.071000 130 I A 2 "ILE " "HG13" 1 0 1 1 52.73 2042 + 2043 41 24.010000 -23.201000 7.326000 130 I A 2 "ILE " "HG12" 1 0 1 1 52.73 2043 + 2044 41 26.872000 -20.975000 6.867000 130 I A 2 "ILE " "HG21" 1 0 1 1 36.31 2044 + 2045 41 27.368000 -21.465000 5.265000 130 I A 2 "ILE " "HG22" 1 0 1 1 36.31 2045 + 2046 41 26.009000 -20.366000 5.466000 130 I A 2 "ILE " "HG23" 1 0 1 1 36.31 2046 + 2047 41 23.102000 -20.840000 7.950000 130 I A 2 "ILE " "HD11" 1 0 1 1 37.73 2047 + 2048 41 23.914000 -20.262000 6.504000 130 I A 2 "ILE " "HD12" 1 0 1 1 37.73 2048 + 2049 41 22.654000 -21.488000 6.379000 130 I A 2 "ILE " "HD13" 1 0 1 1 37.73 2049 + 2050 25 26.574000 -23.832000 3.197000 131 P A 2 "PRO " " N " 7 0 1 1 60.36 2050 + 2051 3 27.428000 -23.890000 1.995000 131 P A 2 "PRO " " CA " 6 0 1 1 67.56 2051 + 2052 2 26.662000 -23.959000 0.657000 131 P A 2 "PRO " " C " 6 0 1 1 66.88 2052 + 2053 15 27.183000 -23.446000 -0.333000 131 P A 2 "PRO " " O " 8 0 1 1 70.29 2053 + 2054 3 28.338000 -25.107000 2.226000 131 P A 2 "PRO " " CB " 6 0 1 1 66.7 2054 + 2055 3 27.561000 -25.993000 3.182000 131 P A 2 "PRO " " CG " 6 0 1 1 72.66 2055 + 2056 3 26.827000 -24.988000 4.063000 131 P A 2 "PRO " " CD " 6 0 1 1 69.63 2056 + 2057 41 28.054000 -22.996000 1.961000 131 P A 2 "PRO " " HA " 1 0 1 1 67.56 2057 + 2058 41 29.261000 -24.777000 2.705000 131 P A 2 "PRO " " HB3" 1 0 1 1 66.7 2058 + 2059 41 28.618000 -25.630000 1.310000 131 P A 2 "PRO " " HB2" 1 0 1 1 66.7 2059 + 2060 41 28.190000 -26.681000 3.746000 131 P A 2 "PRO " " HG3" 1 0 1 1 72.66 2060 + 2061 41 26.844000 -26.588000 2.616000 131 P A 2 "PRO " " HG2" 1 0 1 1 72.66 2061 + 2062 41 25.938000 -25.446000 4.487000 131 P A 2 "PRO " " HD2" 1 0 1 1 69.63 2062 + 2063 41 27.471000 -24.673000 4.884000 131 P A 2 "PRO " " HD3" 1 0 1 1 69.63 2063 + 2064 25 25.440000 -24.528000 0.655000 132 Q A 2 "GLN " " N " 7 0 1 1 60.05 2064 + 2065 3 24.532000 -24.523000 -0.496000 132 Q A 2 "GLN " " CA " 6 0 1 1 65.63 2065 + 2066 2 24.060000 -23.106000 -0.854000 132 Q A 2 "GLN " " C " 6 0 1 1 68.42 2066 + 2067 15 24.240000 -22.702000 -2.000000 132 Q A 2 "GLN " " O " 8 0 1 1 75.16 2067 + 2068 3 23.340000 -25.480000 -0.265000 132 Q A 2 "GLN " " CB " 6 0 1 1 71.57 2068 + 2069 3 22.289000 -25.523000 -1.394000 132 Q A 2 "GLN " " CG " 6 0 1 1 69.8 2069 + 2070 2 22.827000 -26.200000 -2.652000 132 Q A 2 "GLN " " CD " 6 0 1 1 74.53 2070 + 2071 15 22.928000 -27.423000 -2.698000 132 Q A 2 "GLN " " OE1" 8 0 1 1 83.51 2071 + 2072 25 23.172000 -25.420000 -3.676000 132 Q A 2 "GLN " " NE2" 7 0 1 1 61.83 2072 + 2073 43 25.079000 -24.948000 1.501000 132 Q A 2 "GLN " " H " 1 0 1 1 60.05 2073 + 2074 41 25.102000 -24.903000 -1.347000 132 Q A 2 "GLN " " HA " 1 0 1 1 65.63 2074 + 2075 41 22.829000 -25.217000 0.659000 132 Q A 2 "GLN " " HB3" 1 0 1 1 71.57 2075 + 2076 41 23.722000 -26.490000 -0.112000 132 Q A 2 "GLN " " HB2" 1 0 1 1 71.57 2076 + 2077 41 21.886000 -24.537000 -1.626000 132 Q A 2 "GLN " " HG3" 1 0 1 1 69.8 2077 + 2078 41 21.441000 -26.111000 -1.055000 132 Q A 2 "GLN " " HG2" 1 0 1 1 69.8 2078 + 2079 43 23.530000 -25.835000 -4.524000 132 Q A 2 "GLN " "HE22" 1 0 1 1 61.83 2079 + 2080 43 23.081000 -24.413000 -3.624000 132 Q A 2 "GLN " "HE21" 1 0 1 1 61.83 2080 + 2081 25 23.485000 -22.383000 0.126000 133 L A 2 "LEU " " N " 7 0 1 1 65.35 2081 + 2082 3 23.028000 -20.997000 -0.024000 133 L A 2 "LEU " " CA " 6 0 1 1 57.23 2082 + 2083 2 24.162000 -20.065000 -0.475000 133 L A 2 "LEU " " C " 6 0 1 1 61.76 2083 + 2084 15 23.966000 -19.309000 -1.419000 133 L A 2 "LEU " " O " 8 0 1 1 67.21 2084 + 2085 3 22.414000 -20.464000 1.291000 133 L A 2 "LEU " " CB " 6 0 1 1 51.37 2085 + 2086 3 21.079000 -21.098000 1.737000 133 L A 2 "LEU " " CG " 6 0 1 1 52.48 2086 + 2087 3 20.644000 -20.511000 3.097000 133 L A 2 "LEU " " CD1" 6 0 1 1 45.59 2087 + 2088 3 19.955000 -20.971000 0.695000 133 L A 2 "LEU " " CD2" 6 0 1 1 57.18 2088 + 2089 43 23.369000 -22.793000 1.044000 133 L A 2 "LEU " " H " 1 0 1 1 65.35 2089 + 2090 41 22.267000 -20.983000 -0.806000 133 L A 2 "LEU " " HA " 1 0 1 1 57.23 2090 + 2091 41 22.256000 -19.389000 1.201000 133 L A 2 "LEU " " HB3" 1 0 1 1 51.37 2091 + 2092 41 23.147000 -20.585000 2.092000 133 L A 2 "LEU " " HB2" 1 0 1 1 51.37 2092 + 2093 41 21.239000 -22.163000 1.877000 133 L A 2 "LEU " " HG " 1 0 1 1 52.48 2093 + 2094 41 19.677000 -20.011000 3.040000 133 L A 2 "LEU " "HD11" 1 0 1 1 45.59 2094 + 2095 41 20.564000 -21.286000 3.856000 133 L A 2 "LEU " "HD12" 1 0 1 1 45.59 2095 + 2096 41 21.353000 -19.774000 3.475000 133 L A 2 "LEU " "HD13" 1 0 1 1 45.59 2096 + 2097 41 18.973000 -21.120000 1.145000 133 L A 2 "LEU " "HD21" 1 0 1 1 57.18 2097 + 2098 41 19.947000 -19.990000 0.221000 133 L A 2 "LEU " "HD22" 1 0 1 1 57.18 2098 + 2099 41 20.061000 -21.721000 -0.089000 133 L A 2 "LEU " "HD23" 1 0 1 1 57.18 2099 + 2100 25 25.346000 -20.176000 0.150000 134 V A 2 "VAL " " N " 7 0 1 1 54.89 2100 + 2101 3 26.539000 -19.414000 -0.224000 134 V A 2 "VAL " " CA " 6 0 1 1 56 2101 + 2102 2 26.966000 -19.633000 -1.692000 134 V A 2 "VAL " " C " 6 0 1 1 58.23 2102 + 2103 15 27.260000 -18.650000 -2.371000 134 V A 2 "VAL " " O " 8 0 1 1 56.38 2103 + 2104 3 27.721000 -19.712000 0.743000 134 V A 2 "VAL " " CB " 6 0 1 1 58.8 2104 + 2105 3 29.112000 -19.243000 0.260000 134 V A 2 "VAL " " CG1" 6 0 1 1 55.19 2105 + 2106 3 27.429000 -19.112000 2.132000 134 V A 2 "VAL " " CG2" 6 0 1 1 59.4 2106 + 2107 43 25.450000 -20.829000 0.915000 134 V A 2 "VAL " " H " 1 0 1 1 54.89 2107 + 2108 41 26.275000 -18.360000 -0.125000 134 V A 2 "VAL " " HA " 1 0 1 1 56 2108 + 2109 41 27.779000 -20.793000 0.870000 134 V A 2 "VAL " " HB " 1 0 1 1 58.8 2109 + 2110 41 29.866000 -19.390000 1.031000 134 V A 2 "VAL " "HG11" 1 0 1 1 55.19 2110 + 2111 41 29.455000 -19.800000 -0.612000 134 V A 2 "VAL " "HG12" 1 0 1 1 55.19 2111 + 2112 41 29.115000 -18.184000 0.005000 134 V A 2 "VAL " "HG13" 1 0 1 1 55.19 2112 + 2113 41 28.161000 -19.438000 2.869000 134 V A 2 "VAL " "HG21" 1 0 1 1 59.4 2113 + 2114 41 27.448000 -18.024000 2.096000 134 V A 2 "VAL " "HG22" 1 0 1 1 59.4 2114 + 2115 41 26.447000 -19.391000 2.508000 134 V A 2 "VAL " "HG23" 1 0 1 1 59.4 2115 + 2116 25 26.917000 -20.893000 -2.165000 135 A A 2 "ALA " " N " 7 0 1 1 63.87 2116 + 2117 3 27.194000 -21.274000 -3.552000 135 A A 2 "ALA " " CA " 6 0 1 1 60.61 2117 + 2118 2 26.183000 -20.718000 -4.569000 135 A A 2 "ALA " " C " 6 0 1 1 62.11 2118 + 2119 15 26.591000 -20.381000 -5.677000 135 A A 2 "ALA " " O " 8 0 1 1 72.55 2119 + 2120 3 27.288000 -22.803000 -3.659000 135 A A 2 "ALA " " CB " 6 0 1 1 66.03 2120 + 2121 43 26.651000 -21.647000 -1.546000 135 A A 2 "ALA " " H " 1 0 1 1 63.87 2121 + 2122 41 28.173000 -20.870000 -3.811000 135 A A 2 "ALA " " HA " 1 0 1 1 60.61 2122 + 2123 41 27.531000 -23.115000 -4.676000 135 A A 2 "ALA " " HB1" 1 0 1 1 66.03 2123 + 2124 41 28.071000 -23.191000 -3.007000 135 A A 2 "ALA " " HB2" 1 0 1 1 66.03 2124 + 2125 41 26.355000 -23.292000 -3.380000 135 A A 2 "ALA " " HB3" 1 0 1 1 66.03 2125 + 2126 25 24.902000 -20.597000 -4.176000 136 N A 2 "ASN " " N " 7 0 1 1 60.81 2126 + 2127 3 23.831000 -20.036000 -5.012000 136 N A 2 "ASN " " CA " 6 0 1 1 60.19 2127 + 2128 2 24.016000 -18.535000 -5.300000 136 N A 2 "ASN " " C " 6 0 1 1 63.49 2128 + 2129 15 23.519000 -18.080000 -6.330000 136 N A 2 "ASN " " O " 8 0 1 1 76.18 2129 + 2130 3 22.447000 -20.270000 -4.362000 136 N A 2 "ASN " " CB " 6 0 1 1 53.14 2130 + 2131 2 22.014000 -21.730000 -4.200000 136 N A 2 "ASN " " CG " 6 0 1 1 62.53 2131 + 2132 15 22.714000 -22.654000 -4.604000 136 N A 2 "ASN " " OD1" 8 0 1 1 59.16 2132 + 2133 25 20.843000 -21.944000 -3.596000 136 N A 2 "ASN " " ND2" 7 0 1 1 53.49 2133 + 2134 43 24.635000 -20.906000 -3.251000 136 N A 2 "ASN " " H " 1 0 1 1 60.81 2134 + 2135 41 23.860000 -20.569000 -5.964000 136 N A 2 "ASN " " HA " 1 0 1 1 60.19 2135 + 2136 41 21.687000 -19.777000 -4.967000 136 N A 2 "ASN " " HB3" 1 0 1 1 53.14 2136 + 2137 41 22.411000 -19.804000 -3.382000 136 N A 2 "ASN " " HB2" 1 0 1 1 53.14 2137 + 2138 43 20.506000 -22.888000 -3.474000 136 N A 2 "ASN " "HD22" 1 0 1 1 53.49 2138 + 2139 43 20.284000 -21.173000 -3.262000 136 N A 2 "ASN " "HD21" 1 0 1 1 53.49 2139 + 2140 25 24.726000 -17.800000 -4.423000 137 V A 2 "VAL " " N " 7 0 1 1 60.06 2140 + 2141 3 25.033000 -16.386000 -4.643000 137 V A 2 "VAL " " CA " 6 0 1 1 62.53 2141 + 2142 2 26.349000 -16.198000 -5.427000 137 V A 2 "VAL " " C " 6 0 1 1 71.33 2142 + 2143 15 26.408000 -15.311000 -6.278000 137 V A 2 "VAL " " O " 8 0 1 1 74.25 2143 + 2144 3 25.138000 -15.550000 -3.337000 137 V A 2 "VAL " " CB " 6 0 1 1 60.04 2144 + 2145 3 25.162000 -14.038000 -3.640000 137 V A 2 "VAL " " CG1" 6 0 1 1 54.06 2145 + 2146 3 23.995000 -15.841000 -2.358000 137 V A 2 "VAL " " CG2" 6 0 1 1 65.73 2146 + 2147 43 25.105000 -18.229000 -3.590000 137 V A 2 "VAL " " H " 1 0 1 1 60.06 2147 + 2148 41 24.227000 -15.947000 -5.226000 137 V A 2 "VAL " " HA " 1 0 1 1 62.53 2148 + 2149 41 26.065000 -15.796000 -2.815000 137 V A 2 "VAL " " HB " 1 0 1 1 60.04 2149 + 2150 41 24.924000 -13.446000 -2.760000 137 V A 2 "VAL " "HG11" 1 0 1 1 54.06 2150 + 2151 41 26.135000 -13.711000 -4.007000 137 V A 2 "VAL " "HG12" 1 0 1 1 54.06 2151 + 2152 41 24.417000 -13.771000 -4.391000 137 V A 2 "VAL " "HG13" 1 0 1 1 54.06 2152 + 2153 41 24.021000 -15.172000 -1.500000 137 V A 2 "VAL " "HG21" 1 0 1 1 65.73 2153 + 2154 41 23.023000 -15.733000 -2.840000 137 V A 2 "VAL " "HG22" 1 0 1 1 65.73 2154 + 2155 41 24.085000 -16.848000 -1.961000 137 V A 2 "VAL " "HG23" 1 0 1 1 65.73 2155 + 2156 25 27.372000 -17.018000 -5.124000 138 T A 2 "THR " " N " 7 0 1 1 72.16 2156 + 2157 3 28.733000 -16.860000 -5.646000 138 T A 2 "THR " " CA " 6 0 1 1 74.02 2157 + 2158 2 29.007000 -17.597000 -6.977000 138 T A 2 "THR " " C " 6 0 1 1 78.43 2158 + 2159 15 30.004000 -17.259000 -7.615000 138 T A 2 "THR " " O " 8 0 1 1 84.5 2159 + 2160 3 29.789000 -17.320000 -4.607000 138 T A 2 "THR " " CB " 6 0 1 1 70.65 2160 + 2161 16 29.659000 -18.696000 -4.298000 138 T A 2 "THR " " OG1" 8 0 1 1 76.13 2161 + 2162 3 29.769000 -16.494000 -3.310000 138 T A 2 "THR " " CG2" 6 0 1 1 73.96 2162 + 2163 43 27.254000 -17.736000 -4.422000 138 T A 2 "THR " " H " 1 0 1 1 72.16 2163 + 2164 41 28.910000 -15.800000 -5.838000 138 T A 2 "THR " " HA " 1 0 1 1 74.02 2164 + 2165 41 30.783000 -17.199000 -5.040000 138 T A 2 "THR " " HB " 1 0 1 1 70.65 2165 + 2166 42 30.219000 -18.893000 -3.544000 138 T A 2 "THR " " HG1" 1 0 1 1 76.13 2166 + 2167 41 30.530000 -16.838000 -2.608000 138 T A 2 "THR " "HG21" 1 0 1 1 73.96 2167 + 2168 41 29.966000 -15.442000 -3.516000 138 T A 2 "THR " "HG22" 1 0 1 1 73.96 2168 + 2169 41 28.806000 -16.550000 -2.803000 138 T A 2 "THR " "HG23" 1 0 1 1 73.96 2169 + 2170 25 28.136000 -18.525000 -7.418000 139 N A 2 "ASN " " N " 7 0 0 1 81.97 2170 + 2171 3 28.196000 -19.113000 -8.765000 139 N A 2 "ASN " " CA " 6 0 0 1 88.93 2171 + 2172 2 27.808000 -18.020000 -9.791000 139 N A 2 "ASN " " C " 6 0 0 1 93.91 2172 + 2173 15 26.712000 -17.475000 -9.669000 139 N A 2 "ASN " " O " 8 0 0 1 95.54 2173 + 2174 3 27.250000 -20.343000 -8.811000 139 N A 2 "ASN " " CB " 6 0 0 1 93.86 2174 + 2175 2 27.031000 -20.962000 -10.206000 139 N A 2 "ASN " " CG " 6 0 0 1 102.23 2175 + 2176 15 27.883000 -20.874000 -11.088000 139 N A 2 "ASN " " OD1" 8 0 0 1 110.48 2176 + 2177 25 25.882000 -21.609000 -10.408000 139 N A 2 "ASN " " ND2" 7 0 0 1 101.39 2177 + 2178 43 27.347000 -18.790000 -6.844000 139 N A 2 "ASN " " H " 1 0 0 1 81.97 2178 + 2179 41 29.218000 -19.476000 -8.863000 139 N A 2 "ASN " " HA " 1 0 0 1 88.93 2179 + 2180 41 26.279000 -20.068000 -8.401000 139 N A 2 "ASN " " HB3" 1 0 0 1 93.86 2180 + 2181 41 27.641000 -21.125000 -8.159000 139 N A 2 "ASN " " HB2" 1 0 0 1 93.86 2181 + 2182 43 25.693000 -22.042000 -11.300000 139 N A 2 "ASN " "HD22" 1 0 0 1 101.39 2182 + 2183 43 25.184000 -21.647000 -9.680000 139 N A 2 "ASN " "HD21" 1 0 0 1 101.39 2183 + 2184 25 28.695000 -17.702000 -10.762000 140 P A 2 "PRO " " N " 7 0 0 1 94.15 2184 + 2185 3 28.413000 -16.659000 -11.767000 140 P A 2 "PRO " " CA " 6 0 0 1 90.12 2185 + 2186 2 27.264000 -16.993000 -12.741000 140 P A 2 "PRO " " C " 6 0 0 1 88.34 2186 + 2187 15 26.603000 -16.068000 -13.209000 140 P A 2 "PRO " " O " 8 0 0 1 89.82 2187 + 2188 3 29.756000 -16.484000 -12.495000 140 P A 2 "PRO " " CB " 6 0 0 1 84.61 2188 + 2189 3 30.440000 -17.834000 -12.363000 140 P A 2 "PRO " " CG " 6 0 0 1 87.11 2189 + 2190 3 30.018000 -18.296000 -10.974000 140 P A 2 "PRO " " CD " 6 0 0 1 85.85 2190 + 2191 41 28.157000 -15.726000 -11.262000 140 P A 2 "PRO " " HA " 1 0 0 1 90.12 2191 + 2192 41 30.346000 -15.724000 -11.981000 140 P A 2 "PRO " " HB3" 1 0 0 1 84.61 2192 + 2193 41 29.656000 -16.168000 -13.535000 140 P A 2 "PRO " " HB2" 1 0 0 1 84.61 2193 + 2194 41 31.521000 -17.788000 -12.493000 140 P A 2 "PRO " " HG3" 1 0 0 1 87.11 2194 + 2195 41 30.039000 -18.519000 -13.112000 140 P A 2 "PRO " " HG2" 1 0 0 1 87.11 2195 + 2196 41 30.026000 -19.384000 -10.917000 140 P A 2 "PRO " " HD2" 1 0 0 1 85.85 2196 + 2197 41 30.702000 -17.907000 -10.218000 140 P A 2 "PRO " " HD3" 1 0 0 1 85.85 2197 + 2198 25 27.024000 -18.294000 -12.993000 141 N A 2 "ASN " " N " 7 0 0 1 88.52 2198 + 2199 3 25.918000 -18.799000 -13.817000 141 N A 2 "ASN " " CA " 6 0 0 1 92.39 2199 + 2200 2 24.568000 -18.836000 -13.074000 141 N A 2 "ASN " " C " 6 0 0 1 91.92 2200 + 2201 15 23.578000 -19.212000 -13.702000 141 N A 2 "ASN " " O " 8 0 0 1 92.57 2201 + 2202 3 26.283000 -20.200000 -14.370000 141 N A 2 "ASN " " CB " 6 0 0 1 99.51 2202 + 2203 2 27.341000 -20.198000 -15.480000 141 N A 2 "ASN " " CG " 6 0 0 1 107.47 2203 + 2204 15 27.715000 -19.156000 -16.013000 141 N A 2 "ASN " " OD1" 8 0 0 1 116.89 2204 + 2205 25 27.812000 -21.389000 -15.856000 141 N A 2 "ASN " " ND2" 7 0 0 1 103.72 2205 + 2206 43 27.608000 -18.997000 -12.560000 141 N A 2 "ASN " " H " 1 0 0 1 88.52 2206 + 2207 41 25.813000 -18.107000 -14.654000 141 N A 2 "ASN " " HA " 1 0 0 1 92.39 2207 + 2208 41 25.403000 -20.664000 -14.817000 141 N A 2 "ASN " " HB3" 1 0 0 1 99.51 2208 + 2209 41 26.595000 -20.861000 -13.560000 141 N A 2 "ASN " " HB2" 1 0 0 1 99.51 2209 + 2210 43 28.502000 -21.447000 -16.590000 141 N A 2 "ASN " "HD22" 1 0 0 1 103.72 2210 + 2211 43 27.486000 -22.235000 -15.412000 141 N A 2 "ASN " "HD21" 1 0 0 1 103.72 2211 + 2212 25 24.517000 -18.437000 -11.788000 142 S A 2 "SER " " N " 7 0 0 1 91.01 2212 + 2213 3 23.263000 -18.291000 -11.050000 142 S A 2 "SER " " CA " 6 0 0 1 85.37 2213 + 2214 2 22.426000 -17.125000 -11.591000 142 S A 2 "SER " " C " 6 0 0 1 78.4 2214 + 2215 15 22.944000 -16.022000 -11.775000 142 S A 2 "SER " " O " 8 0 0 1 78.7 2215 + 2216 3 23.520000 -18.081000 -9.549000 142 S A 2 "SER " " CB " 6 0 0 1 85.87 2216 + 2217 16 23.881000 -19.301000 -8.940000 142 S A 2 "SER " " OG " 8 0 0 1 86.3 2217 + 2218 43 25.356000 -18.135000 -11.313000 142 S A 2 "SER " " H " 1 0 0 1 91.01 2218 + 2219 41 22.687000 -19.212000 -11.171000 142 S A 2 "SER " " HA " 1 0 0 1 85.37 2219 + 2220 41 22.610000 -17.740000 -9.051000 142 S A 2 "SER " " HB3" 1 0 0 1 85.87 2220 + 2221 41 24.267000 -17.313000 -9.362000 142 S A 2 "SER " " HB2" 1 0 0 1 85.87 2221 + 2222 42 23.983000 -19.136000 -7.998000 142 S A 2 "SER " " HG " 1 0 0 1 86.3 2222 + 2223 25 21.133000 -17.412000 -11.788000 143 T A 2 "THR " " N " 7 0 0 1 71.56 2223 + 2224 3 20.077000 -16.471000 -12.158000 143 T A 2 "THR " " CA " 6 0 0 1 68.99 2224 + 2225 2 19.910000 -15.325000 -11.133000 143 T A 2 "THR " " C " 6 0 0 1 71.11 2225 + 2226 15 20.291000 -15.481000 -9.972000 143 T A 2 "THR " " O " 8 0 0 1 68.57 2226 + 2227 3 18.718000 -17.220000 -12.413000 143 T A 2 "THR " " CB " 6 0 0 1 62.26 2227 + 2228 16 17.624000 -16.856000 -11.589000 143 T A 2 "THR " " OG1" 8 0 0 1 68.8 2228 + 2229 3 18.792000 -18.759000 -12.476000 143 T A 2 "THR " " CG2" 6 0 0 1 73.63 2229 + 2230 43 20.817000 -18.355000 -11.612000 143 T A 2 "THR " " H " 1 0 0 1 71.56 2230 + 2231 41 20.391000 -16.013000 -13.098000 143 T A 2 "THR " " HA " 1 0 0 1 68.99 2231 + 2232 41 18.400000 -16.907000 -13.408000 143 T A 2 "THR " " HB " 1 0 0 1 62.26 2232 + 2233 42 16.897000 -17.460000 -11.767000 143 T A 2 "THR " " HG1" 1 0 0 1 68.8 2233 + 2234 41 17.825000 -19.189000 -12.737000 143 T A 2 "THR " "HG21" 1 0 0 1 73.63 2234 + 2235 41 19.504000 -19.089000 -13.234000 143 T A 2 "THR " "HG22" 1 0 0 1 73.63 2235 + 2236 41 19.092000 -19.192000 -11.521000 143 T A 2 "THR " "HG23" 1 0 0 1 73.63 2236 + 2237 25 19.328000 -14.196000 -11.567000 144 E A 2 "GLU " " N " 7 0 1 1 75.83 2237 + 2238 3 19.030000 -13.059000 -10.688000 144 E A 2 "GLU " " CA " 6 0 1 1 80.42 2238 + 2239 2 18.005000 -13.398000 -9.596000 144 E A 2 "GLU " " C " 6 0 1 1 79.71 2239 + 2240 15 18.208000 -13.007000 -8.448000 144 E A 2 "GLU " " O " 8 0 1 1 80.83 2240 + 2241 3 18.573000 -11.845000 -11.523000 144 E A 2 "GLU " " CB " 6 0 1 1 92.39 2241 + 2242 3 19.613000 -11.345000 -12.549000 144 E A 2 "GLU " " CG " 6 0 1 1 113.56 2242 + 2243 2 20.943000 -10.946000 -11.908000 144 E A 2 "GLU " " CD " 6 0 1 1 118.96 2243 + 2244 15 20.887000 -10.213000 -10.901000 144 E A 2 "GLU " " OE1" 8 0 1 1 118.77 2244 + 2245 18 21.993000 -11.405000 -12.407000 144 E A 2 "GLU " " OE2" 8 -1 1 1 125.4 2245 + 2246 43 19.046000 -14.106000 -12.531000 144 E A 2 "GLU " " H " 1 0 1 1 75.83 2246 + 2247 41 19.950000 -12.799000 -10.164000 144 E A 2 "GLU " " HA " 1 0 1 1 80.42 2247 + 2248 41 18.306000 -11.023000 -10.856000 144 E A 2 "GLU " " HB3" 1 0 1 1 92.39 2248 + 2249 41 17.654000 -12.095000 -12.056000 144 E A 2 "GLU " " HB2" 1 0 1 1 92.39 2249 + 2250 41 19.218000 -10.475000 -13.074000 144 E A 2 "GLU " " HG3" 1 0 1 1 113.56 2250 + 2251 41 19.792000 -12.106000 -13.309000 144 E A 2 "GLU " " HG2" 1 0 1 1 113.56 2251 + 2252 25 16.966000 -14.172000 -9.957000 145 H A 2 "HIS " " N " 7 0 1 1 71.59 2252 + 2253 3 15.976000 -14.702000 -9.019000 145 H A 2 "HIS " " CA " 6 0 1 1 66.58 2253 + 2254 2 16.585000 -15.699000 -8.022000 145 H A 2 "HIS " " C " 6 0 1 1 62.98 2254 + 2255 15 16.150000 -15.714000 -6.875000 145 H A 2 "HIS " " O " 8 0 1 1 56.79 2255 + 2256 3 14.790000 -15.344000 -9.769000 145 H A 2 "HIS " " CB " 6 0 1 1 73.04 2256 + 2257 2 13.898000 -14.377000 -10.513000 145 H A 2 "HIS " " CG " 6 0 1 1 79.58 2257 + 2258 25 12.530000 -14.564000 -10.613000 145 H A 2 "HIS " " ND1" 7 0 1 1 83.95 2258 + 2259 2 14.157000 -13.198000 -11.180000 145 H A 2 "HIS " " CD2" 6 0 1 1 80.4 2259 + 2260 2 12.038000 -13.531000 -11.301000 145 H A 2 "HIS " " CE1" 6 0 1 1 89.11 2260 + 2261 25 12.967000 -12.660000 -11.675000 145 H A 2 "HIS " " NE2" 7 0 1 1 86.09 2261 + 2262 43 16.887000 -14.484000 -10.915000 145 H A 2 "HIS " " H " 1 0 1 1 71.59 2262 + 2263 41 15.588000 -13.867000 -8.433000 145 H A 2 "HIS " " HA " 1 0 1 1 66.58 2263 + 2264 41 14.158000 -15.882000 -9.060000 145 H A 2 "HIS " " HB3" 1 0 1 1 73.04 2264 + 2265 41 15.147000 -16.092000 -10.477000 145 H A 2 "HIS " " HB2" 1 0 1 1 73.04 2265 + 2266 43 11.990000 -15.317000 -10.205000 145 H A 2 "HIS " " HD1" 1 0 1 1 83.95 2266 + 2267 41 15.096000 -12.687000 -11.331000 145 H A 2 "HIS " " HD2" 1 0 1 1 80.4 2267 + 2268 41 10.987000 -13.411000 -11.518000 145 H A 2 "HIS " " HE1" 1 0 1 1 89.11 2268 + 2269 25 17.572000 -16.500000 -8.468000 146 M A 2 "MET " " N " 7 0 1 1 64.99 2269 + 2270 3 18.315000 -17.457000 -7.645000 146 M A 2 "MET " " CA " 6 0 1 1 69.83 2270 + 2271 2 19.107000 -16.758000 -6.532000 146 M A 2 "MET " " C " 6 0 1 1 68.41 2271 + 2272 15 18.939000 -17.117000 -5.368000 146 M A 2 "MET " " O " 8 0 1 1 62.52 2272 + 2273 3 19.174000 -18.365000 -8.560000 146 M A 2 "MET " " CB " 6 0 1 1 67.04 2273 + 2274 3 20.209000 -19.302000 -7.906000 146 M A 2 "MET " " CG " 6 0 1 1 60.84 2274 + 2275 49 19.579000 -20.896000 -7.320000 146 M A 2 "MET " " SD " 16 0 1 1 63.97 2275 + 2276 3 18.799000 -20.407000 -5.772000 146 M A 2 "MET " " CE " 6 0 1 1 90.15 2276 + 2277 43 17.863000 -16.427000 -9.434000 146 M A 2 "MET " " H " 1 0 1 1 64.99 2277 + 2278 41 17.576000 -18.081000 -7.149000 146 M A 2 "MET " " HA " 1 0 1 1 69.83 2278 + 2279 41 19.712000 -17.754000 -9.278000 146 M A 2 "MET " " HB3" 1 0 1 1 67.04 2279 + 2280 41 18.498000 -18.970000 -9.165000 146 M A 2 "MET " " HB2" 1 0 1 1 67.04 2280 + 2281 41 20.769000 -18.814000 -7.109000 146 M A 2 "MET " " HG3" 1 0 1 1 60.84 2281 + 2282 41 20.953000 -19.549000 -8.663000 146 M A 2 "MET " " HG2" 1 0 1 1 60.84 2282 + 2283 41 18.565000 -21.293000 -5.187000 146 M A 2 "MET " " HE1" 1 0 1 1 90.15 2283 + 2284 41 19.470000 -19.778000 -5.199000 146 M A 2 "MET " " HE2" 1 0 1 1 90.15 2284 + 2285 41 17.885000 -19.853000 -5.951000 146 M A 2 "MET " " HE3" 1 0 1 1 90.15 2285 + 2286 25 19.900000 -15.741000 -6.911000 147 K A 2 "LYS " " N " 7 0 1 1 59.62 2286 + 2287 3 20.651000 -14.886000 -5.992000 147 K A 2 "LYS " " CA " 6 0 1 1 56.8 2287 + 2288 2 19.748000 -14.135000 -4.999000 147 K A 2 "LYS " " C " 6 0 1 1 58.09 2288 + 2289 15 20.091000 -14.089000 -3.820000 147 K A 2 "LYS " " O " 8 0 1 1 60.76 2289 + 2290 3 21.519000 -13.893000 -6.790000 147 K A 2 "LYS " " CB " 6 0 1 1 52.78 2290 + 2291 3 22.651000 -14.560000 -7.595000 147 K A 2 "LYS " " CG " 6 0 1 1 56.05 2291 + 2292 3 23.583000 -13.558000 -8.294000 147 K A 2 "LYS " " CD " 6 0 1 1 52.05 2292 + 2293 3 22.893000 -12.793000 -9.433000 147 K A 2 "LYS " " CE " 6 0 1 1 66.17 2293 + 2294 32 23.801000 -11.843000 -10.091000 147 K A 2 "LYS " " NZ " 7 1 1 1 79.83 2294 + 2295 43 19.967000 -15.506000 -7.893000 147 K A 2 "LYS " " H " 1 0 1 1 59.62 2295 + 2296 41 21.313000 -15.534000 -5.414000 147 K A 2 "LYS " " HA " 1 0 1 1 56.8 2296 + 2297 41 21.974000 -13.183000 -6.097000 147 K A 2 "LYS " " HB3" 1 0 1 1 52.78 2297 + 2298 41 20.880000 -13.304000 -7.449000 147 K A 2 "LYS " " HB2" 1 0 1 1 52.78 2298 + 2299 41 22.239000 -15.245000 -8.335000 147 K A 2 "LYS " " HG3" 1 0 1 1 56.05 2299 + 2300 41 23.246000 -15.182000 -6.935000 147 K A 2 "LYS " " HG2" 1 0 1 1 56.05 2300 + 2301 41 24.449000 -14.094000 -8.684000 147 K A 2 "LYS " " HD3" 1 0 1 1 52.05 2301 + 2302 41 23.972000 -12.851000 -7.559000 147 K A 2 "LYS " " HD2" 1 0 1 1 52.05 2302 + 2303 41 22.041000 -12.224000 -9.062000 147 K A 2 "LYS " " HE3" 1 0 1 1 66.17 2303 + 2304 41 22.516000 -13.490000 -10.182000 147 K A 2 "LYS " " HE2" 1 0 1 1 66.17 2304 + 2305 44 24.077000 -11.119000 -9.433000 147 K A 2 "LYS " " HZ1" 1 0 1 1 79.83 2305 + 2306 44 24.615000 -12.321000 -10.446000 147 K A 2 "LYS " " HZ2" 1 0 1 1 79.83 2306 + 2307 44 23.300000 -11.408000 -10.859000 147 K A 2 "LYS " " HZ3" 1 0 1 1 79.83 2307 + 2308 25 18.608000 -13.599000 -5.474000 148 E A 2 "GLU " " N " 7 0 1 1 57.94 2308 + 2309 3 17.652000 -12.854000 -4.654000 148 E A 2 "GLU " " CA " 6 0 1 1 58.26 2309 + 2310 2 16.930000 -13.734000 -3.619000 148 E A 2 "GLU " " C " 6 0 1 1 58.53 2310 + 2311 15 16.939000 -13.377000 -2.442000 148 E A 2 "GLU " " O " 8 0 1 1 65.04 2311 + 2312 3 16.658000 -12.088000 -5.546000 148 E A 2 "GLU " " CB " 6 0 1 1 59.69 2312 + 2313 3 15.728000 -11.165000 -4.734000 148 E A 2 "GLU " " CG " 6 0 1 1 66.58 2313 + 2314 2 14.726000 -10.381000 -5.572000 148 E A 2 "GLU " " CD " 6 0 1 1 77.36 2314 + 2315 15 14.756000 -10.497000 -6.818000 148 E A 2 "GLU " " OE1" 8 0 1 1 77.33 2315 + 2316 18 13.943000 -9.646000 -4.933000 148 E A 2 "GLU " " OE2" 8 -1 1 1 73.54 2316 + 2317 43 18.391000 -13.673000 -6.459000 148 E A 2 "GLU " " H " 1 0 1 1 57.94 2317 + 2318 41 18.228000 -12.108000 -4.101000 148 E A 2 "GLU " " HA " 1 0 1 1 58.26 2318 + 2319 41 16.065000 -12.794000 -6.129000 148 E A 2 "GLU " " HB3" 1 0 1 1 59.69 2319 + 2320 41 17.204000 -11.485000 -6.270000 148 E A 2 "GLU " " HB2" 1 0 1 1 59.69 2320 + 2321 41 16.325000 -10.454000 -4.162000 148 E A 2 "GLU " " HG3" 1 0 1 1 66.58 2321 + 2322 41 15.148000 -11.737000 -4.010000 148 E A 2 "GLU " " HG2" 1 0 1 1 66.58 2322 + 2323 25 16.346000 -14.862000 -4.067000 149 S A 2 "SER " " N " 7 0 1 1 64.17 2323 + 2324 3 15.657000 -15.853000 -3.229000 149 S A 2 "SER " " CA " 6 0 1 1 68.55 2324 + 2325 2 16.542000 -16.387000 -2.090000 149 S A 2 "SER " " C " 6 0 1 1 65.22 2325 + 2326 15 16.081000 -16.501000 -0.957000 149 S A 2 "SER " " O " 8 0 1 1 58.26 2326 + 2327 3 15.178000 -17.034000 -4.099000 149 S A 2 "SER " " CB " 6 0 1 1 77.78 2327 + 2328 16 13.972000 -16.749000 -4.776000 149 S A 2 "SER " " OG " 8 0 1 1 93.36 2328 + 2329 43 16.368000 -15.071000 -5.057000 149 S A 2 "SER " " H " 1 0 1 1 64.17 2329 + 2330 41 14.792000 -15.370000 -2.768000 149 S A 2 "SER " " HA " 1 0 1 1 68.55 2330 + 2331 41 14.975000 -17.896000 -3.470000 149 S A 2 "SER " " HB3" 1 0 1 1 77.78 2331 + 2332 41 15.946000 -17.347000 -4.807000 149 S A 2 "SER " " HB2" 1 0 1 1 77.78 2332 + 2333 42 13.250000 -16.752000 -4.141000 149 S A 2 "SER " " HG " 1 0 1 1 93.36 2333 + 2334 25 17.810000 -16.667000 -2.420000 150 T A 2 "THR " " N " 7 0 1 1 64.21 2334 + 2335 3 18.842000 -17.110000 -1.493000 150 T A 2 "THR " " CA " 6 0 1 1 62.92 2335 + 2336 2 19.269000 -16.016000 -0.498000 150 T A 2 "THR " " C " 6 0 1 1 64.86 2336 + 2337 15 19.426000 -16.337000 0.676000 150 T A 2 "THR " " O " 8 0 1 1 63.12 2337 + 2338 3 20.086000 -17.544000 -2.293000 150 T A 2 "THR " " CB " 6 0 1 1 60.24 2338 + 2339 16 19.797000 -18.768000 -2.930000 150 T A 2 "THR " " OG1" 8 0 1 1 62.28 2339 + 2340 3 21.389000 -17.738000 -1.519000 150 T A 2 "THR " " CG2" 6 0 1 1 50.5 2340 + 2341 43 18.106000 -16.558000 -3.381000 150 T A 2 "THR " " H " 1 0 1 1 64.21 2341 + 2342 41 18.458000 -17.960000 -0.925000 150 T A 2 "THR " " HA " 1 0 1 1 62.92 2342 + 2343 41 20.281000 -16.807000 -3.075000 150 T A 2 "THR " " HB " 1 0 1 1 60.24 2343 + 2344 42 20.526000 -18.972000 -3.520000 150 T A 2 "THR " " HG1" 1 0 1 1 62.28 2344 + 2345 41 22.161000 -17.975000 -2.241000 150 T A 2 "THR " "HG21" 1 0 1 1 50.5 2345 + 2346 41 21.724000 -16.840000 -1.002000 150 T A 2 "THR " "HG22" 1 0 1 1 50.5 2346 + 2347 41 21.322000 -18.545000 -0.795000 150 T A 2 "THR " "HG23" 1 0 1 1 50.5 2347 + 2348 25 19.466000 -14.770000 -0.961000 151 L A 2 "LEU " " N " 7 0 1 1 58.37 2348 + 2349 3 19.876000 -13.647000 -0.108000 151 L A 2 "LEU " " CA " 6 0 1 1 59.22 2349 + 2350 2 18.782000 -13.210000 0.876000 151 L A 2 "LEU " " C " 6 0 1 1 55.92 2350 + 2351 15 19.123000 -12.806000 1.987000 151 L A 2 "LEU " " O " 8 0 1 1 56.73 2351 + 2352 3 20.376000 -12.475000 -0.974000 151 L A 2 "LEU " " CB " 6 0 1 1 54.19 2352 + 2353 3 21.821000 -12.689000 -1.473000 151 L A 2 "LEU " " CG " 6 0 1 1 54.98 2353 + 2354 3 22.127000 -11.823000 -2.705000 151 L A 2 "LEU " " CD1" 6 0 1 1 59.28 2354 + 2355 3 22.850000 -12.470000 -0.340000 151 L A 2 "LEU " " CD2" 6 0 1 1 69.59 2355 + 2356 43 19.340000 -14.565000 -1.944000 151 L A 2 "LEU " " H " 1 0 1 1 58.37 2356 + 2357 41 20.708000 -13.995000 0.506000 151 L A 2 "LEU " " HA " 1 0 1 1 59.22 2357 + 2358 41 20.337000 -11.537000 -0.419000 151 L A 2 "LEU " " HB3" 1 0 1 1 54.19 2358 + 2359 41 19.693000 -12.342000 -1.815000 151 L A 2 "LEU " " HB2" 1 0 1 1 54.19 2359 + 2360 41 21.914000 -13.727000 -1.795000 151 L A 2 "LEU " " HG " 1 0 1 1 54.98 2360 + 2361 41 23.120000 -11.388000 -2.658000 151 L A 2 "LEU " "HD11" 1 0 1 1 59.28 2361 + 2362 41 22.105000 -12.422000 -3.615000 151 L A 2 "LEU " "HD12" 1 0 1 1 59.28 2362 + 2363 41 21.410000 -11.011000 -2.820000 151 L A 2 "LEU " "HD13" 1 0 1 1 59.28 2363 + 2364 41 23.504000 -11.621000 -0.534000 151 L A 2 "LEU " "HD21" 1 0 1 1 69.59 2364 + 2365 41 22.372000 -12.277000 0.621000 151 L A 2 "LEU " "HD22" 1 0 1 1 69.59 2365 + 2366 41 23.487000 -13.343000 -0.208000 151 L A 2 "LEU " "HD23" 1 0 1 1 69.59 2366 + 2367 25 17.503000 -13.374000 0.493000 152 E A 2 "GLU " " N " 7 0 1 1 58 2367 + 2368 3 16.365000 -13.299000 1.408000 152 E A 2 "GLU " " CA " 6 0 1 1 56.77 2368 + 2369 2 16.403000 -14.416000 2.466000 152 E A 2 "GLU " " C " 6 0 1 1 62.64 2369 + 2370 15 16.236000 -14.113000 3.644000 152 E A 2 "GLU " " O " 8 0 1 1 71.13 2370 + 2371 3 15.032000 -13.341000 0.635000 152 E A 2 "GLU " " CB " 6 0 1 1 64.32 2371 + 2372 3 14.699000 -12.056000 -0.143000 152 E A 2 "GLU " " CG " 6 0 1 1 62.46 2372 + 2373 2 13.337000 -12.137000 -0.840000 152 E A 2 "GLU " " CD " 6 0 1 1 80.99 2373 + 2374 15 12.386000 -12.650000 -0.209000 152 E A 2 "GLU " " OE1" 8 0 1 1 92.9 2374 + 2375 18 13.261000 -11.671000 -1.996000 152 E A 2 "GLU " " OE2" 8 -1 1 1 82.41 2375 + 2376 43 17.298000 -13.676000 -0.450000 152 E A 2 "GLU " " H " 1 0 1 1 58 2376 + 2377 41 16.419000 -12.347000 1.940000 152 E A 2 "GLU " " HA " 1 0 1 1 56.77 2377 + 2378 41 14.223000 -13.550000 1.338000 152 E A 2 "GLU " " HB3" 1 0 1 1 64.32 2378 + 2379 41 15.049000 -14.172000 -0.070000 152 E A 2 "GLU " " HB2" 1 0 1 1 64.32 2379 + 2380 41 15.470000 -11.851000 -0.884000 152 E A 2 "GLU " " HG3" 1 0 1 1 62.46 2380 + 2381 41 14.682000 -11.203000 0.535000 152 E A 2 "GLU " " HG2" 1 0 1 1 62.46 2381 + 2382 25 16.655000 -15.669000 2.042000 153 A A 2 "ALA " " N " 7 0 1 1 55.19 2382 + 2383 3 16.735000 -16.841000 2.919000 153 A A 2 "ALA " " CA " 6 0 1 1 56.41 2383 + 2384 2 17.876000 -16.751000 3.947000 153 A A 2 "ALA " " C " 6 0 1 1 60.88 2384 + 2385 15 17.636000 -17.039000 5.118000 153 A A 2 "ALA " " O " 8 0 1 1 57.59 2385 + 2386 3 16.841000 -18.120000 2.075000 153 A A 2 "ALA " " CB " 6 0 1 1 56.74 2386 + 2387 43 16.768000 -15.846000 1.053000 153 A A 2 "ALA " " H " 1 0 1 1 55.19 2387 + 2388 41 15.796000 -16.890000 3.474000 153 A A 2 "ALA " " HA " 1 0 1 1 56.41 2388 + 2389 41 16.745000 -19.003000 2.703000 153 A A 2 "ALA " " HB1" 1 0 1 1 56.74 2389 + 2390 41 16.047000 -18.167000 1.330000 153 A A 2 "ALA " " HB2" 1 0 1 1 56.74 2390 + 2391 41 17.792000 -18.192000 1.550000 153 A A 2 "ALA " " HB3" 1 0 1 1 56.74 2391 + 2392 25 19.062000 -16.287000 3.509000 154 I A 2 "ILE " " N " 7 0 1 1 58.22 2392 + 2393 3 20.208000 -15.950000 4.358000 154 I A 2 "ILE " " CA " 6 0 1 1 46.81 2393 + 2394 2 19.858000 -14.864000 5.393000 154 I A 2 "ILE " " C " 6 0 1 1 52.6 2394 + 2395 15 20.203000 -15.034000 6.559000 154 I A 2 "ILE " " O " 8 0 1 1 45.16 2395 + 2396 3 21.454000 -15.501000 3.524000 154 I A 2 "ILE " " CB " 6 0 1 1 48.94 2396 + 2397 3 22.068000 -16.703000 2.767000 154 I A 2 "ILE " " CG1" 6 0 1 1 49.92 2397 + 2398 3 22.565000 -14.785000 4.332000 154 I A 2 "ILE " " CG2" 6 0 1 1 39.39 2398 + 2399 3 23.107000 -16.317000 1.700000 154 I A 2 "ILE " " CD1" 6 0 1 1 51.42 2399 + 2400 43 19.173000 -16.091000 2.521000 154 I A 2 "ILE " " H " 1 0 1 1 58.22 2400 + 2401 41 20.473000 -16.854000 4.911000 154 I A 2 "ILE " " HA " 1 0 1 1 46.81 2401 + 2402 41 21.102000 -14.793000 2.773000 154 I A 2 "ILE " " HB " 1 0 1 1 48.94 2402 + 2403 41 21.283000 -17.286000 2.286000 154 I A 2 "ILE " "HG13" 1 0 1 1 49.92 2403 + 2404 41 22.532000 -17.382000 3.484000 154 I A 2 "ILE " "HG12" 1 0 1 1 49.92 2404 + 2405 41 23.423000 -14.544000 3.708000 154 I A 2 "ILE " "HG21" 1 0 1 1 39.39 2405 + 2406 41 22.232000 -13.839000 4.756000 154 I A 2 "ILE " "HG22" 1 0 1 1 39.39 2406 + 2407 41 22.919000 -15.413000 5.151000 154 I A 2 "ILE " "HG23" 1 0 1 1 39.39 2407 + 2408 41 23.212000 -17.107000 0.957000 154 I A 2 "ILE " "HD11" 1 0 1 1 51.42 2408 + 2409 41 22.820000 -15.407000 1.171000 154 I A 2 "ILE " "HD12" 1 0 1 1 51.42 2409 + 2410 41 24.091000 -16.156000 2.140000 154 I A 2 "ILE " "HD13" 1 0 1 1 51.42 2410 + 2411 25 19.158000 -13.801000 4.957000 155 G A 2 "GLY " " N " 7 0 1 1 52.51 2411 + 2412 3 18.755000 -12.677000 5.800000 155 G A 2 "GLY " " CA " 6 0 1 1 50.62 2412 + 2413 2 17.759000 -13.090000 6.894000 155 G A 2 "GLY " " C " 6 0 1 1 50.82 2413 + 2414 15 17.893000 -12.618000 8.021000 155 G A 2 "GLY " " O " 8 0 1 1 52.98 2414 + 2415 43 18.908000 -13.745000 3.978000 155 G A 2 "GLY " " H " 1 0 1 1 52.51 2415 + 2416 41 18.305000 -11.904000 5.177000 155 G A 2 "GLY " " HA3" 1 0 1 1 50.62 2416 + 2417 41 19.643000 -12.249000 6.266000 155 G A 2 "GLY " " HA2" 1 0 1 1 50.62 2417 + 2418 25 16.810000 -13.993000 6.586000 156 Y A 2 "TYR " " N " 7 0 1 1 47.12 2418 + 2419 3 15.871000 -14.566000 7.554000 156 Y A 2 "TYR " " CA " 6 0 1 1 53.08 2419 + 2420 2 16.555000 -15.511000 8.556000 156 Y A 2 "TYR " " C " 6 0 1 1 55.29 2420 + 2421 15 16.192000 -15.469000 9.727000 156 Y A 2 "TYR " " O " 8 0 1 1 60.23 2421 + 2422 3 14.709000 -15.284000 6.836000 156 Y A 2 "TYR " " CB " 6 0 1 1 46.97 2422 + 2423 2 13.527000 -14.423000 6.426000 156 Y A 2 "TYR " " CG " 6 0 1 1 66 2423 + 2424 2 12.239000 -14.727000 6.917000 156 Y A 2 "TYR " " CD1" 6 0 1 1 65.11 2424 + 2425 2 13.693000 -13.329000 5.551000 156 Y A 2 "TYR " " CD2" 6 0 1 1 75.47 2425 + 2426 2 11.129000 -13.956000 6.525000 156 Y A 2 "TYR " " CE1" 6 0 1 1 83.42 2426 + 2427 2 12.581000 -12.571000 5.142000 156 Y A 2 "TYR " " CE2" 6 0 1 1 90.88 2427 + 2428 2 11.297000 -12.889000 5.623000 156 Y A 2 "TYR " " CZ " 6 0 1 1 96.65 2428 + 2429 16 10.217000 -12.160000 5.216000 156 Y A 2 "TYR " " OH " 8 0 1 1 91.81 2429 + 2430 43 16.741000 -14.337000 5.636000 156 Y A 2 "TYR " " H " 1 0 1 1 47.12 2430 + 2431 41 15.445000 -13.739000 8.127000 156 Y A 2 "TYR " " HA " 1 0 1 1 53.08 2431 + 2432 41 14.287000 -16.009000 7.529000 156 Y A 2 "TYR " " HB3" 1 0 1 1 46.97 2432 + 2433 41 15.067000 -15.861000 5.982000 156 Y A 2 "TYR " " HB2" 1 0 1 1 46.97 2433 + 2434 41 12.093000 -15.553000 7.598000 156 Y A 2 "TYR " " HD1" 1 0 1 1 65.11 2434 + 2435 41 14.670000 -13.059000 5.186000 156 Y A 2 "TYR " " HD2" 1 0 1 1 75.47 2435 + 2436 41 10.150000 -14.193000 6.914000 156 Y A 2 "TYR " " HE1" 1 0 1 1 83.42 2436 + 2437 41 12.715000 -11.744000 4.460000 156 Y A 2 "TYR " " HE2" 1 0 1 1 90.88 2437 + 2438 42 9.387000 -12.473000 5.584000 156 Y A 2 "TYR " " HH " 1 0 1 1 91.81 2438 + 2439 25 17.541000 -16.316000 8.113000 157 I A 2 "ILE " " N " 7 0 1 1 52.1 2439 + 2440 3 18.333000 -17.171000 9.006000 157 I A 2 "ILE " " CA " 6 0 1 1 56.76 2440 + 2441 2 19.192000 -16.327000 9.971000 157 I A 2 "ILE " " C " 6 0 1 1 62.61 2441 + 2442 15 19.147000 -16.590000 11.169000 157 I A 2 "ILE " " O " 8 0 1 1 65.08 2442 + 2443 3 19.238000 -18.191000 8.247000 157 I A 2 "ILE " " CB " 6 0 1 1 57.14 2443 + 2444 3 18.398000 -19.208000 7.448000 157 I A 2 "ILE " " CG1" 6 0 1 1 57.92 2444 + 2445 3 20.216000 -18.971000 9.160000 157 I A 2 "ILE " " CG2" 6 0 1 1 37.07 2445 + 2446 3 19.170000 -19.875000 6.298000 157 I A 2 "ILE " " CD1" 6 0 1 1 59.71 2446 + 2447 43 17.790000 -16.324000 7.133000 157 I A 2 "ILE " " H " 1 0 1 1 52.1 2447 + 2448 41 17.629000 -17.746000 9.611000 157 I A 2 "ILE " " HA " 1 0 1 1 56.76 2448 + 2449 41 19.834000 -17.628000 7.527000 157 I A 2 "ILE " " HB " 1 0 1 1 57.14 2449 + 2450 41 17.511000 -18.734000 7.032000 157 I A 2 "ILE " "HG13" 1 0 1 1 57.92 2450 + 2451 41 18.022000 -19.973000 8.123000 157 I A 2 "ILE " "HG12" 1 0 1 1 57.92 2451 + 2452 41 20.752000 -19.750000 8.618000 157 I A 2 "ILE " "HG21" 1 0 1 1 37.07 2452 + 2453 41 20.977000 -18.324000 9.584000 157 I A 2 "ILE " "HG22" 1 0 1 1 37.07 2453 + 2454 41 19.688000 -19.455000 9.982000 157 I A 2 "ILE " "HG23" 1 0 1 1 37.07 2454 + 2455 41 18.909000 -20.929000 6.216000 157 I A 2 "ILE " "HD11" 1 0 1 1 59.71 2455 + 2456 41 18.929000 -19.402000 5.347000 157 I A 2 "ILE " "HD12" 1 0 1 1 59.71 2456 + 2457 41 20.251000 -19.812000 6.419000 157 I A 2 "ILE " "HD13" 1 0 1 1 59.71 2457 + 2458 25 19.884000 -15.297000 9.447000 158 C A 2 "CYS " " N " 7 0 1 1 58.43 2458 + 2459 3 20.671000 -14.312000 10.207000 158 C A 2 "CYS " " CA " 6 0 1 1 52.8 2459 + 2460 2 19.843000 -13.557000 11.266000 158 C A 2 "CYS " " C " 6 0 1 1 55.19 2460 + 2461 15 20.391000 -13.201000 12.307000 158 C A 2 "CYS " " O " 8 0 1 1 61.06 2461 + 2462 3 21.343000 -13.269000 9.286000 158 C A 2 "CYS " " CB " 6 0 1 1 45.27 2462 + 2463 49 22.627000 -14.015000 8.249000 158 C A 2 "CYS " " SG " 16 0 1 1 67.31 2463 + 2464 43 19.853000 -15.150000 8.446000 158 C A 2 "CYS " " H " 1 0 1 1 58.43 2464 + 2465 41 21.451000 -14.856000 10.741000 158 C A 2 "CYS " " HA " 1 0 1 1 52.8 2465 + 2466 41 21.822000 -12.485000 9.874000 158 C A 2 "CYS " " HB3" 1 0 1 1 45.27 2466 + 2467 41 20.609000 -12.785000 8.642000 158 C A 2 "CYS " " HB2" 1 0 1 1 45.27 2467 + 2468 41 21.783000 -14.692000 7.462000 158 C A 2 "CYS " " HG " 1 0 1 1 67.31 2468 + 2469 25 18.553000 -13.326000 10.970000 159 Q A 2 "GLN " " N " 7 0 1 1 54.88 2469 + 2470 3 17.597000 -12.625000 11.820000 159 Q A 2 "GLN " " CA " 6 0 1 1 55.37 2470 + 2471 2 17.024000 -13.522000 12.932000 159 Q A 2 "GLN " " C " 6 0 1 1 57.33 2471 + 2472 15 17.034000 -13.117000 14.093000 159 Q A 2 "GLN " " O " 8 0 1 1 64.3 2472 + 2473 3 16.483000 -12.063000 10.912000 159 Q A 2 "GLN " " CB " 6 0 1 1 40.84 2473 + 2474 3 15.361000 -11.290000 11.627000 159 Q A 2 "GLN " " CG " 6 0 1 1 65.09 2474 + 2475 2 14.298000 -10.848000 10.626000 159 Q A 2 "GLN " " CD " 6 0 1 1 73.65 2475 + 2476 15 14.419000 -9.791000 10.009000 159 Q A 2 "GLN " " OE1" 8 0 1 1 67.27 2476 + 2477 25 13.259000 -11.667000 10.453000 159 Q A 2 "GLN " " NE2" 7 0 1 1 74.64 2477 + 2478 43 18.192000 -13.647000 10.082000 159 Q A 2 "GLN " " H " 1 0 1 1 54.88 2478 + 2479 41 18.104000 -11.781000 12.293000 159 Q A 2 "GLN " " HA " 1 0 1 1 55.37 2479 + 2480 41 16.038000 -12.882000 10.346000 159 Q A 2 "GLN " " HB3" 1 0 1 1 40.84 2480 + 2481 41 16.933000 -11.406000 10.171000 159 Q A 2 "GLN " " HB2" 1 0 1 1 40.84 2481 + 2482 41 15.772000 -10.412000 12.126000 159 Q A 2 "GLN " " HG3" 1 0 1 1 65.09 2482 + 2483 41 14.885000 -11.894000 12.399000 159 Q A 2 "GLN " " HG2" 1 0 1 1 65.09 2483 + 2484 43 12.526000 -11.433000 9.800000 159 Q A 2 "GLN " "HE22" 1 0 1 1 74.64 2484 + 2485 43 13.216000 -12.545000 10.961000 159 Q A 2 "GLN " "HE21" 1 0 1 1 74.64 2485 + 2486 25 16.484000 -14.688000 12.540000 160 D A 2 "ASP " " N " 7 0 1 1 58.79 2486 + 2487 3 15.659000 -15.550000 13.394000 160 D A 2 "ASP " " CA " 6 0 1 1 61.56 2487 + 2488 2 16.468000 -16.521000 14.268000 160 D A 2 "ASP " " C " 6 0 1 1 64.25 2488 + 2489 15 15.954000 -16.922000 15.315000 160 D A 2 "ASP " " O " 8 0 1 1 65.79 2489 + 2490 3 14.582000 -16.330000 12.597000 160 D A 2 "ASP " " CB " 6 0 1 1 56.44 2490 + 2491 2 13.678000 -15.486000 11.688000 160 D A 2 "ASP " " CG " 6 0 1 1 60.26 2491 + 2492 15 13.516000 -14.276000 11.964000 160 D A 2 "ASP " " OD1" 8 0 1 1 61.59 2492 + 2493 18 13.099000 -16.091000 10.759000 160 D A 2 "ASP " " OD2" 8 -1 1 1 81.62 2493 + 2494 43 16.511000 -14.941000 11.560000 160 D A 2 "ASP " " H " 1 0 1 1 58.79 2494 + 2495 41 15.121000 -14.901000 14.088000 160 D A 2 "ASP " " HA " 1 0 1 1 61.56 2495 + 2496 41 13.944000 -16.893000 13.280000 160 D A 2 "ASP " " HB3" 1 0 1 1 56.44 2496 + 2497 41 15.097000 -17.049000 11.956000 160 D A 2 "ASP " " HB2" 1 0 1 1 56.44 2497 + 2498 25 17.688000 -16.896000 13.840000 161 I A 2 "ILE " " N " 7 0 0 1 64.39 2498 + 2499 3 18.574000 -17.779000 14.602000 161 I A 2 "ILE " " CA " 6 0 0 1 67.42 2499 + 2500 2 19.540000 -16.936000 15.454000 161 I A 2 "ILE " " C " 6 0 0 1 66.4 2500 + 2501 15 19.866000 -15.805000 15.087000 161 I A 2 "ILE " " O " 8 0 0 1 68.2 2501 + 2502 3 19.371000 -18.748000 13.664000 161 I A 2 "ILE " " CB " 6 0 0 1 74.05 2502 + 2503 3 19.496000 -20.148000 14.301000 161 I A 2 "ILE " " CG1" 6 0 0 1 83.5 2503 + 2504 3 20.770000 -18.284000 13.194000 161 I A 2 "ILE " " CG2" 6 0 0 1 70.38 2504 + 2505 3 19.949000 -21.229000 13.314000 161 I A 2 "ILE " " CD1" 6 0 0 1 97.24 2505 + 2506 43 18.057000 -16.527000 12.974000 161 I A 2 "ILE " " H " 1 0 0 1 64.39 2506 + 2507 41 17.971000 -18.375000 15.289000 161 I A 2 "ILE " " HA " 1 0 0 1 67.42 2507 + 2508 41 18.769000 -18.861000 12.760000 161 I A 2 "ILE " " HB " 1 0 0 1 74.05 2508 + 2509 41 18.542000 -20.453000 14.728000 161 I A 2 "ILE " "HG13" 1 0 0 1 83.5 2509 + 2510 41 20.196000 -20.111000 15.137000 161 I A 2 "ILE " "HG12" 1 0 0 1 83.5 2510 + 2511 41 21.105000 -18.868000 12.337000 161 I A 2 "ILE " "HG21" 1 0 0 1 70.38 2511 + 2512 41 20.786000 -17.237000 12.897000 161 I A 2 "ILE " "HG22" 1 0 0 1 70.38 2512 + 2513 41 21.520000 -18.408000 13.972000 161 I A 2 "ILE " "HG23" 1 0 0 1 70.38 2513 + 2514 41 19.551000 -22.194000 13.617000 161 I A 2 "ILE " "HD11" 1 0 0 1 97.24 2514 + 2515 41 19.591000 -21.035000 12.303000 161 I A 2 "ILE " "HD12" 1 0 0 1 97.24 2515 + 2516 41 21.036000 -21.307000 13.282000 161 I A 2 "ILE " "HD13" 1 0 0 1 97.24 2516 + 2517 25 19.989000 -17.532000 16.570000 162 D A 2 "ASP " " N " 7 0 0 1 76.38 2517 + 2518 3 20.984000 -16.985000 17.495000 162 D A 2 "ASP " " CA " 6 0 0 1 86.76 2518 + 2519 2 22.306000 -16.725000 16.731000 162 D A 2 "ASP " " C " 6 0 0 1 85.48 2519 + 2520 15 22.766000 -17.640000 16.049000 162 D A 2 "ASP " " O " 8 0 0 1 91.7 2520 + 2521 3 21.177000 -17.993000 18.657000 162 D A 2 "ASP " " CB " 6 0 0 1 97.19 2521 + 2522 2 22.026000 -17.505000 19.840000 162 D A 2 "ASP " " CG " 6 0 0 1 108.89 2522 + 2523 15 23.098000 -16.909000 19.600000 162 D A 2 "ASP " " OD1" 8 0 0 1 105.54 2523 + 2524 18 21.622000 -17.820000 20.980000 162 D A 2 "ASP " " OD2" 8 -1 0 1 118.61 2524 + 2525 43 19.665000 -18.462000 16.789000 162 D A 2 "ASP " " H " 1 0 0 1 76.38 2525 + 2526 41 20.551000 -16.068000 17.891000 162 D A 2 "ASP " " HA " 1 0 0 1 86.76 2526 + 2527 41 21.600000 -18.930000 18.294000 162 D A 2 "ASP " " HB3" 1 0 0 1 97.19 2527 + 2528 41 20.189000 -18.241000 19.049000 162 D A 2 "ASP " " HB2" 1 0 0 1 97.19 2528 + 2529 25 22.888000 -15.505000 16.828000 163 P A 2 "PRO " " N " 7 0 0 1 82.48 2529 + 2530 3 24.126000 -15.161000 16.099000 163 P A 2 "PRO " " CA " 6 0 0 1 79.97 2530 + 2531 2 25.341000 -16.064000 16.398000 163 P A 2 "PRO " " C " 6 0 0 1 82.04 2531 + 2532 15 26.163000 -16.245000 15.502000 163 P A 2 "PRO " " O " 8 0 0 1 84.45 2532 + 2533 3 24.379000 -13.689000 16.469000 163 P A 2 "PRO " " CB " 6 0 0 1 75.59 2533 + 2534 3 23.671000 -13.494000 17.797000 163 P A 2 "PRO " " CG " 6 0 0 1 82.02 2534 + 2535 3 22.442000 -14.381000 17.655000 163 P A 2 "PRO " " CD " 6 0 0 1 78.51 2535 + 2536 41 23.929000 -15.229000 15.027000 163 P A 2 "PRO " " HA " 1 0 0 1 79.97 2536 + 2537 41 23.917000 -13.045000 15.720000 163 P A 2 "PRO " " HB3" 1 0 0 1 75.59 2537 + 2538 41 25.433000 -13.416000 16.527000 163 P A 2 "PRO " " HB2" 1 0 0 1 75.59 2538 + 2539 41 23.430000 -12.452000 18.009000 163 P A 2 "PRO " " HG3" 1 0 0 1 82.02 2539 + 2540 41 24.300000 -13.869000 18.605000 163 P A 2 "PRO " " HG2" 1 0 0 1 82.02 2540 + 2541 41 22.074000 -14.670000 18.638000 163 P A 2 "PRO " " HD2" 1 0 0 1 78.51 2541 + 2542 41 21.645000 -13.854000 17.128000 163 P A 2 "PRO " " HD3" 1 0 0 1 78.51 2542 + 2543 25 25.397000 -16.661000 17.605000 164 E A 2 "GLU " " N " 7 0 0 1 83.99 2543 + 2544 3 26.407000 -17.640000 18.022000 164 E A 2 "GLU " " CA " 6 0 0 1 88.49 2544 + 2545 2 26.392000 -18.942000 17.195000 164 E A 2 "GLU " " C " 6 0 0 1 84.12 2545 + 2546 15 27.457000 -19.527000 17.001000 164 E A 2 "GLU " " O " 8 0 0 1 80.23 2546 + 2547 3 26.252000 -17.953000 19.525000 164 E A 2 "GLU " " CB " 6 0 0 1 102.37 2547 + 2548 3 26.387000 -16.716000 20.435000 164 E A 2 "GLU " " CG " 6 0 0 1 129.32 2548 + 2549 2 26.270000 -17.075000 21.917000 164 E A 2 "GLU " " CD " 6 0 0 1 143.67 2549 + 2550 15 27.159000 -17.811000 22.398000 164 E A 2 "GLU " " OE1" 8 0 0 1 150.1 2550 + 2551 18 25.305000 -16.595000 22.552000 164 E A 2 "GLU " " OE2" 8 -1 0 1 154.18 2551 + 2552 43 24.662000 -16.486000 18.281000 164 E A 2 "GLU " " H " 1 0 0 1 83.99 2552 + 2553 41 27.385000 -17.180000 17.876000 164 E A 2 "GLU " " HA " 1 0 0 1 88.49 2553 + 2554 41 27.002000 -18.692000 19.813000 164 E A 2 "GLU " " HB3" 1 0 0 1 102.37 2554 + 2555 41 25.286000 -18.430000 19.702000 164 E A 2 "GLU " " HB2" 1 0 0 1 102.37 2555 + 2556 41 25.628000 -15.972000 20.191000 164 E A 2 "GLU " " HG3" 1 0 0 1 129.32 2556 + 2557 41 27.354000 -16.240000 20.272000 164 E A 2 "GLU " " HG2" 1 0 0 1 129.32 2557 + 2558 25 25.212000 -19.340000 16.681000 165 Q A 2 "GLN " " N " 7 0 0 1 84.37 2558 + 2559 3 25.027000 -20.485000 15.778000 165 Q A 2 "GLN " " CA " 6 0 0 1 76.74 2559 + 2560 2 25.578000 -20.281000 14.353000 165 Q A 2 "GLN " " C " 6 0 0 1 73.22 2560 + 2561 15 25.592000 -21.243000 13.584000 165 Q A 2 "GLN " " O " 8 0 0 1 63.85 2561 + 2562 3 23.529000 -20.880000 15.728000 165 Q A 2 "GLN " " CB " 6 0 0 1 71.58 2562 + 2563 3 22.971000 -21.472000 17.037000 165 Q A 2 "GLN " " CG " 6 0 0 1 70.02 2563 + 2564 2 23.593000 -22.819000 17.416000 165 Q A 2 "GLN " " CD " 6 0 0 1 79.23 2564 + 2565 15 24.236000 -23.477000 16.600000 165 Q A 2 "GLN " " OE1" 8 0 0 1 80.59 2565 + 2566 25 23.377000 -23.254000 18.659000 165 Q A 2 "GLN " " NE2" 7 0 0 1 87.79 2566 + 2567 43 24.386000 -18.786000 16.864000 165 Q A 2 "GLN " " H " 1 0 0 1 84.37 2567 + 2568 41 25.604000 -21.313000 16.190000 165 Q A 2 "GLN " " HA " 1 0 0 1 76.74 2568 + 2569 41 23.358000 -21.603000 14.929000 165 Q A 2 "GLN " " HB3" 1 0 0 1 71.58 2569 + 2570 41 22.927000 -20.021000 15.441000 165 Q A 2 "GLN " " HB2" 1 0 0 1 71.58 2570 + 2571 41 21.895000 -21.618000 16.934000 165 Q A 2 "GLN " " HG3" 1 0 0 1 70.02 2571 + 2572 41 23.113000 -20.766000 17.856000 165 Q A 2 "GLN " " HG2" 1 0 0 1 70.02 2572 + 2573 43 23.758000 -24.141000 18.955000 165 Q A 2 "GLN " "HE22" 1 0 0 1 87.79 2573 + 2574 43 22.848000 -22.696000 19.313000 165 Q A 2 "GLN " "HE21" 1 0 0 1 87.79 2574 + 2575 25 26.010000 -19.051000 14.027000 166 L A 2 "LEU " " N " 7 0 0 1 68.89 2575 + 2576 3 26.567000 -18.670000 12.729000 166 L A 2 "LEU " " CA " 6 0 0 1 72.9 2576 + 2577 2 27.974000 -18.056000 12.852000 166 L A 2 "LEU " " C " 6 0 0 1 78.48 2577 + 2578 15 28.523000 -17.675000 11.819000 166 L A 2 "LEU " " O " 8 0 0 1 74.51 2578 + 2579 3 25.618000 -17.664000 12.037000 166 L A 2 "LEU " " CB " 6 0 0 1 67.21 2579 + 2580 3 24.166000 -18.140000 11.814000 166 L A 2 "LEU " " CG " 6 0 0 1 61.39 2580 + 2581 3 23.325000 -16.966000 11.289000 166 L A 2 "LEU " " CD1" 6 0 0 1 55.6 2581 + 2582 3 24.064000 -19.377000 10.896000 166 L A 2 "LEU " " CD2" 6 0 0 1 69.6 2582 + 2583 43 25.949000 -18.311000 14.713000 166 L A 2 "LEU " " H " 1 0 0 1 68.89 2583 + 2584 41 26.683000 -19.548000 12.093000 166 L A 2 "LEU " " HA " 1 0 0 1 72.9 2584 + 2585 41 26.034000 -17.375000 11.071000 166 L A 2 "LEU " " HB3" 1 0 0 1 67.21 2585 + 2586 41 25.592000 -16.749000 12.632000 166 L A 2 "LEU " " HB2" 1 0 0 1 67.21 2586 + 2587 41 23.741000 -18.415000 12.780000 166 L A 2 "LEU " " HG " 1 0 0 1 61.39 2587 + 2588 41 22.375000 -17.294000 10.876000 166 L A 2 "LEU " "HD11" 1 0 0 1 55.6 2588 + 2589 41 23.094000 -16.269000 12.096000 166 L A 2 "LEU " "HD12" 1 0 0 1 55.6 2589 + 2590 41 23.847000 -16.411000 10.510000 166 L A 2 "LEU " "HD13" 1 0 0 1 55.6 2590 + 2591 41 23.419000 -19.198000 10.035000 166 L A 2 "LEU " "HD21" 1 0 0 1 69.6 2591 + 2592 41 25.033000 -19.682000 10.501000 166 L A 2 "LEU " "HD22" 1 0 0 1 69.6 2592 + 2593 41 23.650000 -20.228000 11.438000 166 L A 2 "LEU " "HD23" 1 0 0 1 69.6 2593 + 2594 25 28.548000 -17.960000 14.069000 167 Q A 2 "GLN " " N " 7 0 0 1 84.34 2594 + 2595 3 29.891000 -17.410000 14.301000 167 Q A 2 "GLN " " CA " 6 0 0 1 91.48 2595 + 2596 2 31.035000 -18.218000 13.662000 167 Q A 2 "GLN " " C " 6 0 0 1 86.85 2596 + 2597 15 32.004000 -17.610000 13.209000 167 Q A 2 "GLN " " O " 8 0 0 1 85.36 2597 + 2598 3 30.139000 -17.173000 15.809000 167 Q A 2 "GLN " " CB " 6 0 0 1 100.94 2598 + 2599 3 29.584000 -15.821000 16.294000 167 Q A 2 "GLN " " CG " 6 0 0 1 118.88 2599 + 2600 2 29.822000 -15.523000 17.775000 167 Q A 2 "GLN " " CD " 6 0 0 1 123.56 2600 + 2601 15 30.339000 -16.348000 18.524000 167 Q A 2 "GLN " " OE1" 8 0 0 1 128.87 2601 + 2602 25 29.431000 -14.322000 18.206000 167 Q A 2 "GLN " " NE2" 7 0 0 1 114.11 2602 + 2603 43 28.053000 -18.296000 14.884000 167 Q A 2 "GLN " " H " 1 0 0 1 84.34 2603 + 2604 41 29.915000 -16.437000 13.806000 167 Q A 2 "GLN " " HA " 1 0 0 1 91.48 2604 + 2605 41 31.210000 -17.189000 16.016000 167 Q A 2 "GLN " " HB3" 1 0 0 1 100.94 2605 + 2606 41 29.711000 -17.992000 16.390000 167 Q A 2 "GLN " " HB2" 1 0 0 1 100.94 2606 + 2607 41 28.516000 -15.772000 16.111000 167 Q A 2 "GLN " " HG3" 1 0 0 1 118.88 2607 + 2608 41 30.045000 -15.016000 15.720000 167 Q A 2 "GLN " " HG2" 1 0 0 1 118.88 2608 + 2609 43 29.554000 -14.074000 19.177000 167 Q A 2 "GLN " "HE22" 1 0 0 1 114.11 2609 + 2610 43 28.997000 -13.663000 17.577000 167 Q A 2 "GLN " "HE21" 1 0 0 1 114.11 2610 + 2611 25 30.888000 -19.553000 13.601000 168 D A 2 "ASP " " N " 7 0 0 1 90.54 2611 + 2612 3 31.826000 -20.469000 12.938000 168 D A 2 "ASP " " CA " 6 0 0 1 96.2 2612 + 2613 2 31.763000 -20.369000 11.399000 168 D A 2 "ASP " " C " 6 0 0 1 91.97 2613 + 2614 15 32.741000 -20.719000 10.741000 168 D A 2 "ASP " " O " 8 0 0 1 91.2 2614 + 2615 3 31.640000 -21.953000 13.358000 168 D A 2 "ASP " " CB " 6 0 0 1 102.86 2615 + 2616 2 30.252000 -22.573000 13.118000 168 D A 2 "ASP " " CG " 6 0 0 1 109.55 2616 + 2617 15 29.245000 -21.830000 13.142000 168 D A 2 "ASP " " OD1" 8 0 0 1 120.95 2617 + 2618 18 30.221000 -23.811000 12.947000 168 D A 2 "ASP " " OD2" 8 -1 0 1 109.09 2618 + 2619 43 30.047000 -19.985000 13.964000 168 D A 2 "ASP " " H " 1 0 0 1 90.54 2619 + 2620 41 32.834000 -20.174000 13.235000 168 D A 2 "ASP " " HA " 1 0 0 1 96.2 2620 + 2621 41 31.869000 -22.055000 14.419000 168 D A 2 "ASP " " HB3" 1 0 0 1 102.86 2621 + 2622 41 32.376000 -22.556000 12.824000 168 D A 2 "ASP " " HB2" 1 0 0 1 102.86 2622 + 2623 25 30.610000 -19.925000 10.870000 169 K A 2 "LYS " " N " 7 0 0 1 90.31 2623 + 2624 3 30.295000 -19.863000 9.445000 169 K A 2 "LYS " " CA " 6 0 0 1 87.4 2624 + 2625 2 30.125000 -18.415000 8.951000 169 K A 2 "LYS " " C " 6 0 0 1 83.53 2625 + 2626 15 29.484000 -18.201000 7.920000 169 K A 2 "LYS " " O " 8 0 0 1 76.1 2626 + 2627 3 29.045000 -20.731000 9.177000 169 K A 2 "LYS " " CB " 6 0 0 1 86.95 2627 + 2628 3 29.311000 -22.240000 9.332000 169 K A 2 "LYS " " CG " 6 0 0 1 94.07 2628 + 2629 3 28.048000 -23.113000 9.294000 169 K A 2 "LYS " " CD " 6 0 0 1 93.65 2629 + 2630 3 27.183000 -22.975000 10.557000 169 K A 2 "LYS " " CE " 6 0 0 1 85.98 2630 + 2631 32 26.066000 -23.932000 10.553000 169 K A 2 "LYS " " NZ " 7 1 0 1 77.26 2631 + 2632 43 29.863000 -19.657000 11.495000 169 K A 2 "LYS " " H " 1 0 0 1 90.31 2632 + 2633 41 31.129000 -20.275000 8.882000 169 K A 2 "LYS " " HA " 1 0 0 1 87.4 2633 + 2634 41 28.693000 -20.574000 8.158000 169 K A 2 "LYS " " HB3" 1 0 0 1 86.95 2634 + 2635 41 28.237000 -20.404000 9.832000 169 K A 2 "LYS " " HB2" 1 0 0 1 86.95 2635 + 2636 41 29.849000 -22.441000 10.258000 169 K A 2 "LYS " " HG3" 1 0 0 1 94.07 2636 + 2637 41 29.981000 -22.560000 8.534000 169 K A 2 "LYS " " HG2" 1 0 0 1 94.07 2637 + 2638 41 28.346000 -24.155000 9.167000 169 K A 2 "LYS " " HD3" 1 0 0 1 93.65 2638 + 2639 41 27.458000 -22.860000 8.412000 169 K A 2 "LYS " " HD2" 1 0 0 1 93.65 2639 + 2640 41 26.781000 -21.966000 10.654000 169 K A 2 "LYS " " HE3" 1 0 0 1 85.98 2640 + 2641 41 27.781000 -23.173000 11.445000 169 K A 2 "LYS " " HE2" 1 0 0 1 85.98 2641 + 2642 44 26.432000 -24.872000 10.514000 169 K A 2 "LYS " " HZ1" 1 0 0 1 77.26 2642 + 2643 44 25.533000 -23.815000 11.403000 169 K A 2 "LYS " " HZ2" 1 0 0 1 77.26 2643 + 2644 44 25.473000 -23.762000 9.754000 169 K A 2 "LYS " " HZ3" 1 0 0 1 77.26 2644 + 2645 25 30.699000 -17.444000 9.686000 170 S A 2 "SER " " N " 7 0 1 1 78.55 2645 + 2646 3 30.588000 -16.015000 9.404000 170 S A 2 "SER " " CA " 6 0 1 1 75.67 2646 + 2647 2 31.172000 -15.623000 8.037000 170 S A 2 "SER " " C " 6 0 1 1 77.92 2647 + 2648 15 30.468000 -14.969000 7.276000 170 S A 2 "SER " " O " 8 0 1 1 86.42 2648 + 2649 3 31.169000 -15.190000 10.575000 170 S A 2 "SER " " CB " 6 0 1 1 59.06 2649 + 2650 16 32.582000 -15.214000 10.634000 170 S A 2 "SER " " OG " 8 0 1 1 71.71 2650 + 2651 43 31.219000 -17.693000 10.515000 170 S A 2 "SER " " H " 1 0 1 1 78.55 2651 + 2652 41 29.518000 -15.801000 9.371000 170 S A 2 "SER " " HA " 1 0 1 1 75.67 2652 + 2653 41 30.766000 -15.541000 11.526000 170 S A 2 "SER " " HB3" 1 0 1 1 59.06 2653 + 2654 41 30.864000 -14.148000 10.476000 170 S A 2 "SER " " HB2" 1 0 1 1 59.06 2654 + 2655 42 32.865000 -14.704000 11.397000 170 S A 2 "SER " " HG " 1 0 1 1 71.71 2655 + 2656 25 32.407000 -16.067000 7.744000 171 N A 2 "ASN " " N " 7 0 1 1 78.06 2656 + 2657 3 33.185000 -15.717000 6.549000 171 N A 2 "ASN " " CA " 6 0 1 1 77.19 2657 + 2658 2 32.480000 -16.073000 5.232000 171 N A 2 "ASN " " C " 6 0 1 1 75.69 2658 + 2659 15 32.450000 -15.230000 4.337000 171 N A 2 "ASN " " O " 8 0 1 1 75.82 2659 + 2660 3 34.576000 -16.389000 6.605000 171 N A 2 "ASN " " CB " 6 0 1 1 81.87 2660 + 2661 2 35.430000 -15.908000 7.781000 171 N A 2 "ASN " " CG " 6 0 1 1 82.98 2661 + 2662 15 35.728000 -14.722000 7.890000 171 N A 2 "ASN " " OD1" 8 0 1 1 87.66 2662 + 2663 25 35.832000 -16.829000 8.660000 171 N A 2 "ASN " " ND2" 7 0 1 1 93.24 2663 + 2664 43 32.888000 -16.631000 8.431000 171 N A 2 "ASN " " H " 1 0 1 1 78.06 2664 + 2665 41 33.317000 -14.633000 6.581000 171 N A 2 "ASN " " HA " 1 0 1 1 77.19 2665 + 2666 41 35.132000 -16.163000 5.694000 171 N A 2 "ASN " " HB3" 1 0 1 1 81.87 2666 + 2667 41 34.474000 -17.475000 6.638000 171 N A 2 "ASN " " HB2" 1 0 1 1 81.87 2667 + 2668 43 36.395000 -16.557000 9.453000 171 N A 2 "ASN " "HD22" 1 0 1 1 93.24 2668 + 2669 43 35.572000 -17.798000 8.543000 171 N A 2 "ASN " "HD21" 1 0 1 1 93.24 2669 + 2670 25 31.909000 -17.287000 5.151000 172 E A 2 "GLU " " N " 7 0 1 1 75.03 2670 + 2671 3 31.182000 -17.788000 3.982000 172 E A 2 "GLU " " CA " 6 0 1 1 80.1 2671 + 2672 2 29.898000 -16.988000 3.715000 172 E A 2 "GLU " " C " 6 0 1 1 81.93 2672 + 2673 15 29.654000 -16.604000 2.571000 172 E A 2 "GLU " " O " 8 0 1 1 81.03 2673 + 2674 3 30.856000 -19.295000 4.117000 172 E A 2 "GLU " " CB " 6 0 1 1 84.74 2674 + 2675 3 32.014000 -20.197000 4.587000 172 E A 2 "GLU " " CG " 6 0 1 1 102.32 2675 + 2676 2 32.047000 -20.351000 6.106000 172 E A 2 "GLU " " CD " 6 0 1 1 116.76 2676 + 2677 15 31.273000 -21.204000 6.591000 172 E A 2 "GLU " " OE1" 8 0 1 1 120.38 2677 + 2678 18 32.811000 -19.600000 6.751000 172 E A 2 "GLU " " OE2" 8 -1 1 1 120.83 2678 + 2679 43 32.007000 -17.934000 5.924000 172 E A 2 "GLU " " H " 1 0 1 1 75.03 2679 + 2680 41 31.841000 -17.666000 3.119000 172 E A 2 "GLU " " HA " 1 0 1 1 80.1 2680 + 2681 41 30.535000 -19.664000 3.145000 172 E A 2 "GLU " " HB3" 1 0 1 1 84.74 2681 + 2682 41 29.992000 -19.437000 4.770000 172 E A 2 "GLU " " HB2" 1 0 1 1 84.74 2682 + 2683 41 32.972000 -19.825000 4.222000 172 E A 2 "GLU " " HG3" 1 0 1 1 102.32 2683 + 2684 41 31.893000 -21.194000 4.161000 172 E A 2 "GLU " " HG2" 1 0 1 1 102.32 2684 + 2685 25 29.128000 -16.732000 4.788000 173 I A 2 "ILE " " N " 7 0 1 1 79.22 2685 + 2686 3 27.900000 -15.937000 4.773000 173 I A 2 "ILE " " CA " 6 0 1 1 64.27 2686 + 2687 2 28.163000 -14.466000 4.390000 173 I A 2 "ILE " " C " 6 0 1 1 64.39 2687 + 2688 15 27.431000 -13.939000 3.555000 173 I A 2 "ILE " " O " 8 0 1 1 69.11 2688 + 2689 3 27.153000 -16.015000 6.141000 173 I A 2 "ILE " " CB " 6 0 1 1 62.72 2689 + 2690 3 26.629000 -17.446000 6.406000 173 I A 2 "ILE " " CG1" 6 0 1 1 58.53 2690 + 2691 3 25.999000 -15.002000 6.307000 173 I A 2 "ILE " " CG2" 6 0 1 1 61.15 2691 + 2692 3 26.201000 -17.693000 7.864000 173 I A 2 "ILE " " CD1" 6 0 1 1 51.12 2692 + 2693 43 29.416000 -17.080000 5.693000 173 I A 2 "ILE " " H " 1 0 1 1 79.22 2693 + 2694 41 27.247000 -16.362000 4.007000 173 I A 2 "ILE " " HA " 1 0 1 1 64.27 2694 + 2695 41 27.883000 -15.796000 6.922000 173 I A 2 "ILE " " HB " 1 0 1 1 62.72 2695 + 2696 41 27.389000 -18.184000 6.149000 173 I A 2 "ILE " "HG13" 1 0 1 1 58.53 2696 + 2697 41 25.787000 -17.652000 5.744000 173 I A 2 "ILE " "HG12" 1 0 1 1 58.53 2697 + 2698 41 25.447000 -15.165000 7.232000 173 I A 2 "ILE " "HG21" 1 0 1 1 61.15 2698 + 2699 41 26.365000 -13.978000 6.356000 173 I A 2 "ILE " "HG22" 1 0 1 1 61.15 2699 + 2700 41 25.291000 -15.076000 5.483000 173 I A 2 "ILE " "HG23" 1 0 1 1 61.15 2700 + 2701 41 26.375000 -18.731000 8.148000 173 I A 2 "ILE " "HD11" 1 0 1 1 51.12 2701 + 2702 41 26.760000 -17.069000 8.562000 173 I A 2 "ILE " "HD12" 1 0 1 1 51.12 2702 + 2703 41 25.140000 -17.486000 8.006000 173 I A 2 "ILE " "HD13" 1 0 1 1 51.12 2703 + 2704 25 29.220000 -13.857000 4.959000 174 L A 2 "LEU " " N " 7 0 1 1 66.12 2704 + 2705 3 29.650000 -12.482000 4.684000 174 L A 2 "LEU " " CA " 6 0 1 1 65.92 2705 + 2706 2 30.111000 -12.307000 3.226000 174 L A 2 "LEU " " C " 6 0 1 1 69.35 2706 + 2707 15 29.762000 -11.296000 2.621000 174 L A 2 "LEU " " O " 8 0 1 1 75.57 2707 + 2708 3 30.751000 -12.054000 5.688000 174 L A 2 "LEU " " CB " 6 0 1 1 60.94 2708 + 2709 3 30.687000 -10.585000 6.166000 174 L A 2 "LEU " " CG " 6 0 1 1 59.61 2709 + 2710 3 31.789000 -10.302000 7.191000 174 L A 2 "LEU " " CD1" 6 0 1 1 68.3 2710 + 2711 3 30.739000 -9.538000 5.053000 174 L A 2 "LEU " " CD2" 6 0 1 1 53.56 2711 + 2712 43 29.769000 -14.362000 5.645000 174 L A 2 "LEU " " H " 1 0 1 1 66.12 2712 + 2713 41 28.776000 -11.848000 4.845000 174 L A 2 "LEU " " HA " 1 0 1 1 65.92 2713 + 2714 41 31.744000 -12.287000 5.297000 174 L A 2 "LEU " " HB3" 1 0 1 1 60.94 2714 + 2715 41 30.654000 -12.651000 6.591000 174 L A 2 "LEU " " HB2" 1 0 1 1 60.94 2715 + 2716 41 29.734000 -10.459000 6.683000 174 L A 2 "LEU " " HG " 1 0 1 1 59.61 2716 + 2717 41 31.514000 -9.468000 7.835000 174 L A 2 "LEU " "HD11" 1 0 1 1 68.3 2717 + 2718 41 31.970000 -11.171000 7.821000 174 L A 2 "LEU " "HD12" 1 0 1 1 68.3 2718 + 2719 41 32.731000 -10.043000 6.705000 174 L A 2 "LEU " "HD13" 1 0 1 1 68.3 2719 + 2720 41 31.226000 -8.619000 5.378000 174 L A 2 "LEU " "HD21" 1 0 1 1 53.56 2720 + 2721 41 31.291000 -9.901000 4.188000 174 L A 2 "LEU " "HD22" 1 0 1 1 53.56 2721 + 2722 41 29.728000 -9.273000 4.747000 174 L A 2 "LEU " "HD23" 1 0 1 1 53.56 2722 + 2723 25 30.836000 -13.300000 2.676000 175 T A 2 "THR " " N " 7 0 1 1 68.86 2723 + 2724 3 31.275000 -13.326000 1.277000 175 T A 2 "THR " " CA " 6 0 1 1 68.02 2724 + 2725 2 30.086000 -13.323000 0.301000 175 T A 2 "THR " " C " 6 0 1 1 70.35 2725 + 2726 15 30.069000 -12.483000 -0.594000 175 T A 2 "THR " " O " 8 0 1 1 73.58 2726 + 2727 3 32.171000 -14.554000 0.950000 175 T A 2 "THR " " CB " 6 0 1 1 64.9 2727 + 2728 16 33.344000 -14.497000 1.734000 175 T A 2 "THR " " OG1" 8 0 1 1 71.07 2728 + 2729 3 32.614000 -14.680000 -0.522000 175 T A 2 "THR " " CG2" 6 0 1 1 72.17 2729 + 2730 43 31.086000 -14.102000 3.240000 175 T A 2 "THR " " H " 1 0 1 1 68.86 2730 + 2731 41 31.857000 -12.419000 1.100000 175 T A 2 "THR " " HA " 1 0 1 1 68.02 2731 + 2732 41 31.652000 -15.471000 1.231000 175 T A 2 "THR " " HB " 1 0 1 1 64.9 2732 + 2733 42 33.103000 -14.621000 2.659000 175 T A 2 "THR " " HG1" 1 0 1 1 71.07 2733 + 2734 41 33.332000 -15.491000 -0.645000 175 T A 2 "THR " "HG21" 1 0 1 1 72.17 2734 + 2735 41 31.777000 -14.899000 -1.186000 175 T A 2 "THR " "HG22" 1 0 1 1 72.17 2735 + 2736 41 33.088000 -13.762000 -0.872000 175 T A 2 "THR " "HG23" 1 0 1 1 72.17 2736 + 2737 25 29.101000 -14.213000 0.526000 176 A A 2 "ALA " " N " 7 0 1 1 66.89 2737 + 2738 3 27.854000 -14.290000 -0.237000 176 A A 2 "ALA " " CA " 6 0 1 1 60.26 2738 + 2739 2 27.005000 -13.011000 -0.138000 176 A A 2 "ALA " " C " 6 0 1 1 65.52 2739 + 2740 15 26.508000 -12.538000 -1.156000 176 A A 2 "ALA " " O " 8 0 1 1 61.5 2740 + 2741 3 27.057000 -15.516000 0.228000 176 A A 2 "ALA " " CB " 6 0 1 1 59.33 2741 + 2742 43 29.190000 -14.865000 1.295000 176 A A 2 "ALA " " H " 1 0 1 1 66.89 2742 + 2743 41 28.116000 -14.434000 -1.288000 176 A A 2 "ALA " " HA " 1 0 1 1 60.26 2743 + 2744 41 26.112000 -15.607000 -0.307000 176 A A 2 "ALA " " HB1" 1 0 1 1 59.33 2744 + 2745 41 27.622000 -16.429000 0.045000 176 A A 2 "ALA " " HB2" 1 0 1 1 59.33 2745 + 2746 41 26.831000 -15.474000 1.294000 176 A A 2 "ALA " " HB3" 1 0 1 1 59.33 2746 + 2747 25 26.896000 -12.446000 1.074000 177 I A 2 "ILE " " N " 7 0 1 1 64.08 2747 + 2748 3 26.199000 -11.191000 1.347000 177 I A 2 "ILE " " CA " 6 0 1 1 55.28 2748 + 2749 2 26.825000 -9.973000 0.630000 177 I A 2 "ILE " " C " 6 0 1 1 58.48 2749 + 2750 15 26.097000 -9.229000 -0.024000 177 I A 2 "ILE " " O " 8 0 1 1 68.87 2750 + 2751 3 26.061000 -10.957000 2.882000 177 I A 2 "ILE " " CB " 6 0 1 1 56.26 2751 + 2752 3 24.955000 -11.869000 3.463000 177 I A 2 "ILE " " CG1" 6 0 1 1 61.55 2752 + 2753 3 25.804000 -9.505000 3.312000 177 I A 2 "ILE " " CG2" 6 0 1 1 57.04 2753 + 2754 3 24.899000 -11.884000 4.998000 177 I A 2 "ILE " " CD1" 6 0 1 1 58.52 2754 + 2755 43 27.326000 -12.896000 1.872000 177 I A 2 "ILE " " H " 1 0 1 1 64.08 2755 + 2756 41 25.191000 -11.297000 0.945000 177 I A 2 "ILE " " HA " 1 0 1 1 55.28 2756 + 2757 41 27.003000 -11.253000 3.345000 177 I A 2 "ILE " " HB " 1 0 1 1 56.26 2757 + 2758 41 25.084000 -12.890000 3.106000 177 I A 2 "ILE " "HG13" 1 0 1 1 61.55 2758 + 2759 41 23.987000 -11.549000 3.077000 177 I A 2 "ILE " "HG12" 1 0 1 1 61.55 2759 + 2760 41 25.661000 -9.434000 4.386000 177 I A 2 "ILE " "HG21" 1 0 1 1 57.04 2760 + 2761 41 26.643000 -8.851000 3.077000 177 I A 2 "ILE " "HG22" 1 0 1 1 57.04 2761 + 2762 41 24.907000 -9.118000 2.837000 177 I A 2 "ILE " "HG23" 1 0 1 1 57.04 2762 + 2763 41 24.417000 -12.788000 5.365000 177 I A 2 "ILE " "HD11" 1 0 1 1 58.52 2763 + 2764 41 25.897000 -11.836000 5.434000 177 I A 2 "ILE " "HD12" 1 0 1 1 58.52 2764 + 2765 41 24.329000 -11.041000 5.382000 177 I A 2 "ILE " "HD13" 1 0 1 1 58.52 2765 + 2766 25 28.155000 -9.814000 0.724000 178 I A 2 "ILE " " N " 7 0 1 1 53.16 2766 + 2767 3 28.908000 -8.734000 0.073000 178 I A 2 "ILE " " CA " 6 0 1 1 59.48 2767 + 2768 2 28.998000 -8.870000 -1.457000 178 I A 2 "ILE " " C " 6 0 1 1 66.35 2768 + 2769 15 29.063000 -7.843000 -2.135000 178 I A 2 "ILE " " O " 8 0 1 1 74.38 2769 + 2770 3 30.314000 -8.547000 0.715000 178 I A 2 "ILE " " CB " 6 0 1 1 53.29 2770 + 2771 3 30.195000 -7.983000 2.148000 178 I A 2 "ILE " " CG1" 6 0 1 1 55.73 2771 + 2772 3 31.342000 -7.725000 -0.088000 178 I A 2 "ILE " " CG2" 6 0 1 1 53.86 2772 + 2773 3 29.877000 -6.483000 2.260000 178 I A 2 "ILE " " CD1" 6 0 1 1 47.12 2773 + 2774 43 28.699000 -10.462000 1.281000 178 I A 2 "ILE " " H " 1 0 1 1 53.16 2774 + 2775 41 28.357000 -7.813000 0.230000 178 I A 2 "ILE " " HA " 1 0 1 1 59.48 2775 + 2776 41 30.747000 -9.544000 0.817000 178 I A 2 "ILE " " HB " 1 0 1 1 53.29 2776 + 2777 41 31.137000 -8.161000 2.665000 178 I A 2 "ILE " "HG13" 1 0 1 1 55.73 2777 + 2778 41 29.435000 -8.537000 2.694000 178 I A 2 "ILE " "HG12" 1 0 1 1 55.73 2778 + 2779 41 32.249000 -7.576000 0.498000 178 I A 2 "ILE " "HG21" 1 0 1 1 53.86 2779 + 2780 41 31.637000 -8.224000 -1.011000 178 I A 2 "ILE " "HG22" 1 0 1 1 53.86 2780 + 2781 41 30.954000 -6.742000 -0.346000 178 I A 2 "ILE " "HG23" 1 0 1 1 53.86 2781 + 2782 41 29.412000 -6.254000 3.219000 178 I A 2 "ILE " "HD11" 1 0 1 1 47.12 2782 + 2783 41 30.786000 -5.887000 2.189000 178 I A 2 "ILE " "HD12" 1 0 1 1 47.12 2783 + 2784 41 29.202000 -6.138000 1.478000 178 I A 2 "ILE " "HD13" 1 0 1 1 47.12 2784 + 2785 25 28.928000 -10.109000 -1.975000 179 Q A 2 "GLN " " N " 7 0 1 1 72.35 2785 + 2786 3 28.862000 -10.407000 -3.407000 179 Q A 2 "GLN " " CA " 6 0 1 1 72.16 2786 + 2787 2 27.603000 -9.811000 -4.064000 179 Q A 2 "GLN " " C " 6 0 1 1 75.86 2787 + 2788 15 27.704000 -9.254000 -5.157000 179 Q A 2 "GLN " " O " 8 0 1 1 78.1 2788 + 2789 3 28.932000 -11.940000 -3.616000 179 Q A 2 "GLN " " CB " 6 0 1 1 78.21 2789 + 2790 3 29.098000 -12.404000 -5.076000 179 Q A 2 "GLN " " CG " 6 0 1 1 80.01 2790 + 2791 2 30.428000 -11.953000 -5.687000 179 Q A 2 "GLN " " CD " 6 0 1 1 85.16 2791 + 2792 15 31.450000 -11.905000 -5.005000 179 Q A 2 "GLN " " OE1" 8 0 1 1 84.82 2792 + 2793 25 30.427000 -11.639000 -6.983000 179 Q A 2 "GLN " " NE2" 7 0 1 1 87.34 2793 + 2794 43 28.890000 -10.905000 -1.353000 179 Q A 2 "GLN " " H " 1 0 1 1 72.35 2794 + 2795 41 29.734000 -9.940000 -3.866000 179 Q A 2 "GLN " " HA " 1 0 1 1 72.16 2795 + 2796 41 28.043000 -12.412000 -3.200000 179 Q A 2 "GLN " " HB3" 1 0 1 1 78.21 2796 + 2797 41 29.766000 -12.344000 -3.046000 179 Q A 2 "GLN " " HB2" 1 0 1 1 78.21 2797 + 2798 41 28.263000 -12.058000 -5.688000 179 Q A 2 "GLN " " HG3" 1 0 1 1 80.01 2798 + 2799 41 29.067000 -13.493000 -5.112000 179 Q A 2 "GLN " " HG2" 1 0 1 1 80.01 2799 + 2800 43 31.282000 -11.343000 -7.430000 179 Q A 2 "GLN " "HE22" 1 0 1 1 87.34 2800 + 2801 43 29.575000 -11.689000 -7.522000 179 Q A 2 "GLN " "HE21" 1 0 1 1 87.34 2801 + 2802 25 26.462000 -9.900000 -3.360000 180 G A 2 "GLY " " N " 7 0 1 1 75.86 2802 + 2803 3 25.187000 -9.353000 -3.809000 180 G A 2 "GLY " " CA " 6 0 1 1 65.79 2803 + 2804 2 25.101000 -7.828000 -3.657000 180 G A 2 "GLY " " C " 6 0 1 1 69.74 2804 + 2805 15 24.247000 -7.230000 -4.300000 180 G A 2 "GLY " " O " 8 0 1 1 69.05 2805 + 2806 43 26.470000 -10.367000 -2.464000 180 G A 2 "GLY " " H " 1 0 1 1 75.86 2806 + 2807 41 24.398000 -9.788000 -3.207000 180 G A 2 "GLY " " HA3" 1 0 1 1 65.79 2807 + 2808 41 24.994000 -9.636000 -4.846000 180 G A 2 "GLY " " HA2" 1 0 1 1 65.79 2808 + 2809 25 25.955000 -7.189000 -2.839000 181 M A 2 "MET " " N " 7 0 1 1 68.1 2809 + 2810 3 25.975000 -5.732000 -2.674000 181 M A 2 "MET " " CA " 6 0 1 1 69.02 2810 + 2811 2 26.972000 -5.010000 -3.580000 181 M A 2 "MET " " C " 6 0 1 1 73.09 2811 + 2812 15 26.850000 -3.789000 -3.705000 181 M A 2 "MET " " O " 8 0 1 1 79.06 2812 + 2813 3 26.293000 -5.364000 -1.226000 181 M A 2 "MET " " CB " 6 0 1 1 68.69 2813 + 2814 3 25.067000 -5.354000 -0.329000 181 M A 2 "MET " " CG " 6 0 1 1 74.52 2814 + 2815 49 25.482000 -4.785000 1.332000 181 M A 2 "MET " " SD " 16 0 1 1 62.71 2815 + 2816 3 26.134000 -6.356000 1.920000 181 M A 2 "MET " " CE " 6 0 1 1 63.02 2816 + 2817 43 26.646000 -7.716000 -2.322000 181 M A 2 "MET " " H " 1 0 1 1 68.1 2817 + 2818 41 24.994000 -5.319000 -2.900000 181 M A 2 "MET " " HA " 1 0 1 1 69.02 2818 + 2819 41 26.686000 -4.350000 -1.175000 181 M A 2 "MET " " HB3" 1 0 1 1 68.69 2819 + 2820 41 27.076000 -6.014000 -0.836000 181 M A 2 "MET " " HB2" 1 0 1 1 68.69 2820 + 2821 41 24.609000 -6.339000 -0.278000 181 M A 2 "MET " " HG3" 1 0 1 1 74.52 2821 + 2822 41 24.327000 -4.682000 -0.760000 181 M A 2 "MET " " HG2" 1 0 1 1 74.52 2822 + 2823 41 26.583000 -6.268000 2.903000 181 M A 2 "MET " " HE1" 1 0 1 1 63.02 2823 + 2824 41 25.331000 -7.089000 1.947000 181 M A 2 "MET " " HE2" 1 0 1 1 63.02 2824 + 2825 41 26.901000 -6.724000 1.254000 181 M A 2 "MET " " HE3" 1 0 1 1 63.02 2825 + 2826 25 27.941000 -5.740000 -4.158000 182 R A 2 "ARG " " N " 7 0 0 1 80.1 2826 + 2827 3 29.013000 -5.194000 -4.991000 182 R A 2 "ARG " " CA " 6 0 0 1 89.47 2827 + 2828 2 28.459000 -4.345000 -6.151000 182 R A 2 "ARG " " C " 6 0 0 1 92.28 2828 + 2829 15 27.390000 -4.669000 -6.665000 182 R A 2 "ARG " " O " 8 0 0 1 92.74 2829 + 2830 3 29.886000 -6.364000 -5.494000 182 R A 2 "ARG " " CB " 6 0 0 1 98.98 2830 + 2831 3 31.198000 -5.898000 -6.139000 182 R A 2 "ARG " " CG " 6 0 0 1 121.06 2831 + 2832 3 32.250000 -5.461000 -5.109000 182 R A 2 "ARG " " CD " 6 0 0 1 132.6 2832 + 2833 25 33.314000 -4.662000 -5.726000 182 R A 2 "ARG " " NE " 7 0 0 1 139.23 2833 + 2834 2 33.323000 -3.320000 -5.819000 182 R A 2 "ARG " " CZ " 6 0 0 1 141.2 2834 + 2835 25 32.360000 -2.570000 -5.260000 182 R A 2 "ARG " " NH1" 7 0 0 1 146.22 2835 + 2836 31 34.316000 -2.718000 -6.483000 182 R A 2 "ARG " " NH2" 7 1 0 1 138.66 2836 + 2837 43 27.968000 -6.738000 -3.997000 182 R A 2 "ARG " " H " 1 0 0 1 80.1 2837 + 2838 41 29.607000 -4.544000 -4.349000 182 R A 2 "ARG " " HA " 1 0 0 1 89.47 2838 + 2839 41 29.315000 -6.951000 -6.216000 182 R A 2 "ARG " " HB3" 1 0 0 1 98.98 2839 + 2840 41 30.118000 -7.044000 -4.673000 182 R A 2 "ARG " " HB2" 1 0 0 1 98.98 2840 + 2841 41 31.048000 -5.159000 -6.923000 182 R A 2 "ARG " " HG3" 1 0 0 1 121.06 2841 + 2842 41 31.602000 -6.778000 -6.642000 182 R A 2 "ARG " " HG2" 1 0 0 1 121.06 2842 + 2843 41 32.775000 -6.372000 -4.822000 182 R A 2 "ARG " " HD3" 1 0 0 1 132.6 2843 + 2844 41 31.854000 -5.051000 -4.180000 182 R A 2 "ARG " " HD2" 1 0 0 1 132.6 2844 + 2845 43 34.003000 -5.179000 -6.255000 182 R A 2 "ARG " " HE " 1 0 0 1 139.23 2845 + 2846 43 32.369000 -1.559000 -5.336000 182 R A 2 "ARG " "HH12" 1 0 0 1 146.22 2846 + 2847 43 31.639000 -3.010000 -4.710000 182 R A 2 "ARG " "HH11" 1 0 0 1 146.22 2847 + 2848 44 34.327000 -1.713000 -6.580000 182 R A 2 "ARG " "HH22" 1 0 0 1 138.66 2848 + 2849 44 35.022000 -3.269000 -6.951000 182 R A 2 "ARG " "HH21" 1 0 0 1 138.66 2849 + 2850 25 29.160000 -3.260000 -6.522000 183 K A 2 "LYS " " N " 7 0 0 1 91.89 2850 + 2851 3 28.681000 -2.288000 -7.513000 183 K A 2 "LYS " " CA " 6 0 0 1 93.13 2851 + 2852 2 28.379000 -2.911000 -8.891000 183 K A 2 "LYS " " C " 6 0 0 1 90.96 2852 + 2853 15 27.427000 -2.489000 -9.547000 183 K A 2 "LYS " " O " 8 0 0 1 90.12 2853 + 2854 3 29.692000 -1.127000 -7.617000 183 K A 2 "LYS " " CB " 6 0 0 1 101.03 2854 + 2855 3 29.145000 0.167000 -8.251000 183 K A 2 "LYS " " CG " 6 0 0 1 114.64 2855 + 2856 3 28.058000 0.834000 -7.391000 183 K A 2 "LYS " " CD " 6 0 0 1 123.34 2856 + 2857 3 27.649000 2.225000 -7.887000 183 K A 2 "LYS " " CE " 6 0 0 1 125.44 2857 + 2858 32 26.666000 2.842000 -6.978000 183 K A 2 "LYS " " NZ " 7 1 0 1 123.76 2858 + 2859 43 30.043000 -3.046000 -6.082000 183 K A 2 "LYS " " H " 1 0 0 1 91.89 2859 + 2860 41 27.737000 -1.910000 -7.120000 183 K A 2 "LYS " " HA " 1 0 0 1 93.13 2860 + 2861 41 30.581000 -1.455000 -8.155000 183 K A 2 "LYS " " HB3" 1 0 0 1 101.03 2861 + 2862 41 30.038000 -0.875000 -6.616000 183 K A 2 "LYS " " HB2" 1 0 0 1 101.03 2862 + 2863 41 28.760000 -0.032000 -9.252000 183 K A 2 "LYS " " HG3" 1 0 0 1 114.64 2863 + 2864 41 29.975000 0.863000 -8.382000 183 K A 2 "LYS " " HG2" 1 0 0 1 114.64 2864 + 2865 41 28.409000 0.902000 -6.363000 183 K A 2 "LYS " " HD3" 1 0 0 1 123.34 2865 + 2866 41 27.168000 0.206000 -7.367000 183 K A 2 "LYS " " HD2" 1 0 0 1 123.34 2866 + 2867 41 27.219000 2.160000 -8.887000 183 K A 2 "LYS " " HE3" 1 0 0 1 125.44 2867 + 2868 41 28.520000 2.877000 -7.950000 183 K A 2 "LYS " " HE2" 1 0 0 1 125.44 2868 + 2869 44 27.067000 2.932000 -6.054000 183 K A 2 "LYS " " HZ1" 1 0 0 1 123.76 2869 + 2870 44 26.415000 3.757000 -7.323000 183 K A 2 "LYS " " HZ2" 1 0 0 1 123.76 2870 + 2871 44 25.840000 2.264000 -6.925000 183 K A 2 "LYS " " HZ3" 1 0 0 1 123.76 2871 + 2872 25 29.153000 -3.954000 -9.237000 184 E A 2 "GLU " " N " 7 0 0 1 90.51 2872 + 2873 3 29.024000 -4.792000 -10.423000 184 E A 2 "GLU " " CA " 6 0 0 1 93.29 2873 + 2874 2 27.714000 -5.605000 -10.510000 184 E A 2 "GLU " " C " 6 0 0 1 91.83 2874 + 2875 15 27.358000 -5.973000 -11.628000 184 E A 2 "GLU " " O " 8 0 0 1 94.05 2875 + 2876 3 30.246000 -5.738000 -10.542000 184 E A 2 "GLU " " CB " 6 0 0 1 96.45 2876 + 2877 3 31.622000 -5.054000 -10.724000 184 E A 2 "GLU " " CG " 6 0 0 1 112.24 2877 + 2878 2 32.277000 -4.580000 -9.424000 184 E A 2 "GLU " " CD " 6 0 0 1 118.3 2878 + 2879 15 32.958000 -5.415000 -8.791000 184 E A 2 "GLU " " OE1" 8 0 0 1 121.5 2879 + 2880 18 32.086000 -3.395000 -9.075000 184 E A 2 "GLU " " OE2" 8 -1 0 1 119.47 2880 + 2881 43 29.929000 -4.187000 -8.634000 184 E A 2 "GLU " " H " 1 0 0 1 90.51 2881 + 2882 41 29.033000 -4.124000 -11.286000 184 E A 2 "GLU " " HA " 1 0 0 1 93.29 2882 + 2883 41 30.096000 -6.405000 -11.392000 184 E A 2 "GLU " " HB3" 1 0 0 1 96.45 2883 + 2884 41 30.281000 -6.394000 -9.670000 184 E A 2 "GLU " " HB2" 1 0 0 1 96.45 2884 + 2885 41 31.540000 -4.218000 -11.418000 184 E A 2 "GLU " " HG3" 1 0 0 1 112.24 2885 + 2886 41 32.309000 -5.762000 -11.190000 184 E A 2 "GLU " " HG2" 1 0 0 1 112.24 2886 + 2887 25 27.022000 -5.869000 -9.380000 185 E A 2 "GLU " " N " 7 0 0 1 87.69 2887 + 2888 3 25.727000 -6.566000 -9.335000 185 E A 2 "GLU " " CA " 6 0 0 1 78.61 2888 + 2889 2 24.638000 -5.748000 -10.073000 185 E A 2 "GLU " " C " 6 0 0 1 76.36 2889 + 2890 15 24.325000 -4.653000 -9.597000 185 E A 2 "GLU " " O " 8 0 0 1 76.41 2890 + 2891 3 25.326000 -6.850000 -7.863000 185 E A 2 "GLU " " CB " 6 0 0 1 78.71 2891 + 2892 3 23.910000 -7.437000 -7.654000 185 E A 2 "GLU " " CG " 6 0 0 1 84.71 2892 + 2893 2 23.629000 -8.698000 -8.462000 185 E A 2 "GLU " " CD " 6 0 0 1 89.02 2893 + 2894 15 24.404000 -9.671000 -8.322000 185 E A 2 "GLU " " OE1" 8 0 0 1 91.21 2894 + 2895 18 22.638000 -8.663000 -9.219000 185 E A 2 "GLU " " OE2" 8 -1 0 1 88.44 2895 + 2896 43 27.363000 -5.519000 -8.494000 185 E A 2 "GLU " " H " 1 0 0 1 87.69 2896 + 2897 41 25.881000 -7.543000 -9.785000 185 E A 2 "GLU " " HA " 1 0 0 1 78.61 2897 + 2898 41 25.372000 -5.931000 -7.285000 185 E A 2 "GLU " " HB3" 1 0 0 1 78.71 2898 + 2899 41 26.059000 -7.520000 -7.412000 185 E A 2 "GLU " " HB2" 1 0 0 1 78.71 2899 + 2900 41 23.152000 -6.686000 -7.880000 185 E A 2 "GLU " " HG3" 1 0 0 1 84.71 2900 + 2901 41 23.758000 -7.695000 -6.612000 185 E A 2 "GLU " " HG2" 1 0 0 1 84.71 2901 + 2902 25 24.105000 -6.257000 -11.214000 186 P A 2 "PRO " " N " 7 0 0 1 78.23 2902 + 2903 3 23.087000 -5.534000 -12.000000 186 P A 2 "PRO " " CA " 6 0 0 1 79.49 2903 + 2904 2 21.763000 -5.258000 -11.264000 186 P A 2 "PRO " " C " 6 0 0 1 83.83 2904 + 2905 15 21.382000 -4.092000 -11.155000 186 P A 2 "PRO " " O " 8 0 0 1 90.76 2905 + 2906 3 22.879000 -6.406000 -13.256000 186 P A 2 "PRO " " CB " 6 0 0 1 79.37 2906 + 2907 3 24.143000 -7.235000 -13.363000 186 P A 2 "PRO " " CG " 6 0 0 1 74.93 2907 + 2908 3 24.499000 -7.488000 -11.908000 186 P A 2 "PRO " " CD " 6 0 0 1 77.22 2908 + 2909 41 23.532000 -4.584000 -12.303000 186 P A 2 "PRO " " HA " 1 0 0 1 79.49 2909 + 2910 41 22.703000 -5.810000 -14.152000 186 P A 2 "PRO " " HB3" 1 0 0 1 79.37 2910 + 2911 41 22.029000 -7.080000 -13.143000 186 P A 2 "PRO " " HB2" 1 0 0 1 79.37 2911 + 2912 41 24.929000 -6.641000 -13.831000 186 P A 2 "PRO " " HG3" 1 0 0 1 74.93 2912 + 2913 41 24.016000 -8.149000 -13.944000 186 P A 2 "PRO " " HG2" 1 0 0 1 74.93 2913 + 2914 41 23.918000 -8.322000 -11.514000 186 P A 2 "PRO " " HD2" 1 0 0 1 77.22 2914 + 2915 41 25.553000 -7.749000 -11.841000 186 P A 2 "PRO " " HD3" 1 0 0 1 77.22 2915 + 2916 25 21.087000 -6.321000 -10.793000 187 S A 2 "SER " " N " 7 0 0 1 83.03 2916 + 2917 3 19.760000 -6.242000 -10.183000 187 S A 2 "SER " " CA " 6 0 0 1 82.53 2917 + 2918 2 19.809000 -5.549000 -8.815000 187 S A 2 "SER " " C " 6 0 0 1 81.18 2918 + 2919 15 20.503000 -6.023000 -7.916000 187 S A 2 "SER " " O " 8 0 0 1 85.41 2919 + 2920 3 19.158000 -7.658000 -10.087000 187 S A 2 "SER " " CB " 6 0 0 1 88.18 2920 + 2921 16 17.852000 -7.643000 -9.540000 187 S A 2 "SER " " OG " 8 0 0 1 83.86 2921 + 2922 43 21.488000 -7.248000 -10.862000 187 S A 2 "SER " " H " 1 0 0 1 83.03 2922 + 2923 41 19.124000 -5.657000 -10.851000 187 S A 2 "SER " " HA " 1 0 0 1 82.53 2923 + 2924 41 19.787000 -8.296000 -9.467000 187 S A 2 "SER " " HB3" 1 0 0 1 88.18 2924 + 2925 41 19.111000 -8.118000 -11.075000 187 S A 2 "SER " " HB2" 1 0 0 1 88.18 2925 + 2926 42 17.530000 -8.548000 -9.508000 187 S A 2 "SER " " HG " 1 0 0 1 83.86 2926 + 2927 25 19.034000 -4.460000 -8.677000 188 N A 2 "ASN " " N " 7 0 1 1 75.49 2927 + 2928 3 18.848000 -3.753000 -7.406000 188 N A 2 "ASN " " CA " 6 0 1 1 72.95 2928 + 2929 2 17.911000 -4.504000 -6.447000 188 N A 2 "ASN " " C " 6 0 1 1 72.5 2929 + 2930 15 17.954000 -4.214000 -5.254000 188 N A 2 "ASN " " O " 8 0 1 1 81.03 2930 + 2931 3 18.349000 -2.314000 -7.659000 188 N A 2 "ASN " " CB " 6 0 1 1 73.06 2931 + 2932 2 19.394000 -1.398000 -8.307000 188 N A 2 "ASN " " CG " 6 0 1 1 78.45 2932 + 2933 15 20.600000 -1.611000 -8.188000 188 N A 2 "ASN " " OD1" 8 0 1 1 83.35 2933 + 2934 25 18.927000 -0.340000 -8.973000 188 N A 2 "ASN " " ND2" 7 0 1 1 86.77 2934 + 2935 43 18.500000 -4.122000 -9.464000 188 N A 2 "ASN " " H " 1 0 1 1 75.49 2935 + 2936 41 19.832000 -3.697000 -6.947000 188 N A 2 "ASN " " HA " 1 0 1 1 72.95 2936 + 2937 41 18.085000 -1.845000 -6.709000 188 N A 2 "ASN " " HB3" 1 0 1 1 73.06 2937 + 2938 41 17.437000 -2.328000 -8.258000 188 N A 2 "ASN " " HB2" 1 0 1 1 73.06 2938 + 2939 43 19.567000 0.299000 -9.420000 188 N A 2 "ASN " "HD22" 1 0 1 1 86.77 2939 + 2940 43 17.932000 -0.178000 -9.042000 188 N A 2 "ASN " "HD21" 1 0 1 1 86.77 2940 + 2941 25 17.122000 -5.469000 -6.953000 189 N A 2 "ASN " " N " 7 0 1 1 63.78 2941 + 2942 3 16.321000 -6.384000 -6.136000 189 N A 2 "ASN " " CA " 6 0 1 1 67.12 2942 + 2943 2 17.207000 -7.391000 -5.374000 189 N A 2 "ASN " " C " 6 0 1 1 68.07 2943 + 2944 15 16.924000 -7.664000 -4.208000 189 N A 2 "ASN " " O " 8 0 1 1 62.02 2944 + 2945 3 15.293000 -7.125000 -7.012000 189 N A 2 "ASN " " CB " 6 0 1 1 71.11 2945 + 2946 2 14.254000 -6.226000 -7.679000 189 N A 2 "ASN " " CG " 6 0 1 1 73.87 2946 + 2947 15 14.334000 -5.960000 -8.874000 189 N A 2 "ASN " " OD1" 8 0 1 1 71.91 2947 + 2948 25 13.234000 -5.815000 -6.922000 189 N A 2 "ASN " " ND2" 7 0 1 1 76.71 2948 + 2949 43 17.142000 -5.660000 -7.945000 189 N A 2 "ASN " " H " 1 0 1 1 63.78 2949 + 2950 41 15.779000 -5.786000 -5.400000 189 N A 2 "ASN " " HA " 1 0 1 1 67.12 2950 + 2951 41 14.733000 -7.809000 -6.388000 189 N A 2 "ASN " " HB3" 1 0 1 1 71.11 2951 + 2952 41 15.787000 -7.734000 -7.769000 189 N A 2 "ASN " " HB2" 1 0 1 1 71.11 2952 + 2953 43 12.489000 -5.275000 -7.339000 189 N A 2 "ASN " "HD22" 1 0 1 1 76.71 2953 + 2954 43 13.181000 -6.088000 -5.950000 189 N A 2 "ASN " "HD21" 1 0 1 1 76.71 2954 + 2955 25 18.286000 -7.875000 -6.022000 190 V A 2 "VAL " " N " 7 0 1 1 62.23 2955 + 2956 3 19.342000 -8.675000 -5.391000 190 V A 2 "VAL " " CA " 6 0 1 1 63.6 2956 + 2957 2 20.156000 -7.828000 -4.394000 190 V A 2 "VAL " " C " 6 0 1 1 65.72 2957 + 2958 15 20.400000 -8.291000 -3.281000 190 V A 2 "VAL " " O " 8 0 1 1 69.31 2958 + 2959 3 20.326000 -9.281000 -6.439000 190 V A 2 "VAL " " CB " 6 0 1 1 66.05 2959 + 2960 3 21.567000 -9.978000 -5.839000 190 V A 2 "VAL " " CG1" 6 0 1 1 63.37 2960 + 2961 3 19.620000 -10.281000 -7.367000 190 V A 2 "VAL " " CG2" 6 0 1 1 71.92 2961 + 2962 43 18.449000 -7.607000 -6.982000 190 V A 2 "VAL " " H " 1 0 1 1 62.23 2962 + 2963 41 18.869000 -9.492000 -4.842000 190 V A 2 "VAL " " HA " 1 0 1 1 63.6 2963 + 2964 41 20.690000 -8.472000 -7.071000 190 V A 2 "VAL " " HB " 1 0 1 1 66.05 2964 + 2965 41 22.160000 -10.461000 -6.615000 190 V A 2 "VAL " "HG11" 1 0 1 1 63.37 2965 + 2966 41 22.233000 -9.288000 -5.321000 190 V A 2 "VAL " "HG12" 1 0 1 1 63.37 2966 + 2967 41 21.264000 -10.754000 -5.139000 190 V A 2 "VAL " "HG13" 1 0 1 1 63.37 2967 + 2968 41 20.275000 -10.584000 -8.184000 190 V A 2 "VAL " "HG21" 1 0 1 1 71.92 2968 + 2969 41 19.347000 -11.182000 -6.822000 190 V A 2 "VAL " "HG22" 1 0 1 1 71.92 2969 + 2970 41 18.716000 -9.867000 -7.812000 190 V A 2 "VAL " "HG23" 1 0 1 1 71.92 2970 + 2971 25 20.526000 -6.601000 -4.806000 191 K A 2 "LYS " " N " 7 0 1 1 63.22 2971 + 2972 3 21.300000 -5.640000 -4.017000 191 K A 2 "LYS " " CA " 6 0 1 1 64.16 2972 + 2973 2 20.579000 -5.197000 -2.734000 191 K A 2 "LYS " " C " 6 0 1 1 57.15 2973 + 2974 15 21.243000 -5.017000 -1.716000 191 K A 2 "LYS " " O " 8 0 1 1 54.23 2974 + 2975 3 21.688000 -4.450000 -4.919000 191 K A 2 "LYS " " CB " 6 0 1 1 56.88 2975 + 2976 3 22.934000 -3.670000 -4.463000 191 K A 2 "LYS " " CG " 6 0 1 1 55.31 2976 + 2977 3 23.366000 -2.557000 -5.435000 191 K A 2 "LYS " " CD " 6 0 1 1 71.17 2977 + 2978 3 23.859000 -3.092000 -6.792000 191 K A 2 "LYS " " CE " 6 0 1 1 74.46 2978 + 2979 32 24.337000 -2.016000 -7.673000 191 K A 2 "LYS " " NZ " 7 1 1 1 81.75 2979 + 2980 43 20.293000 -6.312000 -5.747000 191 K A 2 "LYS " " H " 1 0 1 1 63.22 2980 + 2981 41 22.204000 -6.144000 -3.690000 191 K A 2 "LYS " " HA " 1 0 1 1 64.16 2981 + 2982 41 20.843000 -3.769000 -5.024000 191 K A 2 "LYS " " HB3" 1 0 1 1 56.88 2982 + 2983 41 21.895000 -4.846000 -5.911000 191 K A 2 "LYS " " HB2" 1 0 1 1 56.88 2983 + 2984 41 23.761000 -4.367000 -4.357000 191 K A 2 "LYS " " HG3" 1 0 1 1 55.31 2984 + 2985 41 22.759000 -3.242000 -3.475000 191 K A 2 "LYS " " HG2" 1 0 1 1 55.31 2985 + 2986 41 24.156000 -1.969000 -4.965000 191 K A 2 "LYS " " HD3" 1 0 1 1 71.17 2986 + 2987 41 22.531000 -1.873000 -5.592000 191 K A 2 "LYS " " HD2" 1 0 1 1 71.17 2987 + 2988 41 23.063000 -3.620000 -7.319000 191 K A 2 "LYS " " HE3" 1 0 1 1 74.46 2988 + 2989 41 24.674000 -3.800000 -6.642000 191 K A 2 "LYS " " HE2" 1 0 1 1 74.46 2989 + 2990 44 25.105000 -1.533000 -7.233000 191 K A 2 "LYS " " HZ1" 1 0 1 1 81.75 2990 + 2991 44 24.650000 -2.427000 -8.543000 191 K A 2 "LYS " " HZ2" 1 0 1 1 81.75 2991 + 2992 44 23.580000 -1.374000 -7.860000 191 K A 2 "LYS " " HZ3" 1 0 1 1 81.75 2992 + 2993 25 19.239000 -5.105000 -2.792000 192 L A 2 "LEU " " N " 7 0 1 1 50.46 2993 + 2994 3 18.350000 -4.882000 -1.655000 192 L A 2 "LEU " " CA " 6 0 1 1 52.37 2994 + 2995 2 18.398000 -6.045000 -0.654000 192 L A 2 "LEU " " C " 6 0 1 1 57.11 2995 + 2996 15 18.723000 -5.808000 0.507000 192 L A 2 "LEU " " O " 8 0 1 1 71.44 2996 + 2997 3 16.914000 -4.616000 -2.170000 192 L A 2 "LEU " " CB " 6 0 1 1 47.29 2997 + 2998 3 15.849000 -4.385000 -1.076000 192 L A 2 "LEU " " CG " 6 0 1 1 44.18 2998 + 2999 3 16.219000 -3.209000 -0.153000 192 L A 2 "LEU " " CD1" 6 0 1 1 47.3 2999 + 3000 3 14.447000 -4.223000 -1.695000 192 L A 2 "LEU " " CD2" 6 0 1 1 55.57 3000 + 3001 43 18.782000 -5.249000 -3.682000 192 L A 2 "LEU " " H " 1 0 1 1 50.46 3001 + 3002 41 18.706000 -3.990000 -1.136000 192 L A 2 "LEU " " HA " 1 0 1 1 52.37 3002 + 3003 41 16.598000 -5.456000 -2.789000 192 L A 2 "LEU " " HB3" 1 0 1 1 47.29 3003 + 3004 41 16.917000 -3.754000 -2.836000 192 L A 2 "LEU " " HB2" 1 0 1 1 47.29 3004 + 3005 41 15.792000 -5.282000 -0.464000 192 L A 2 "LEU " " HG " 1 0 1 1 44.18 3005 + 3006 41 15.344000 -2.674000 0.214000 192 L A 2 "LEU " "HD11" 1 0 1 1 47.3 3006 + 3007 41 16.772000 -3.552000 0.722000 192 L A 2 "LEU " "HD12" 1 0 1 1 47.3 3007 + 3008 41 16.852000 -2.490000 -0.669000 192 L A 2 "LEU " "HD13" 1 0 1 1 47.3 3008 + 3009 41 13.742000 -4.927000 -1.251000 192 L A 2 "LEU " "HD21" 1 0 1 1 55.57 3009 + 3010 41 14.041000 -3.223000 -1.553000 192 L A 2 "LEU " "HD22" 1 0 1 1 55.57 3010 + 3011 41 14.450000 -4.409000 -2.770000 192 L A 2 "LEU " "HD23" 1 0 1 1 55.57 3011 + 3012 25 18.083000 -7.267000 -1.126000 193 A A 2 "ALA " " N " 7 0 1 1 58.35 3012 + 3013 3 18.056000 -8.502000 -0.333000 193 A A 2 "ALA " " CA " 6 0 1 1 55.61 3013 + 3014 2 19.390000 -8.817000 0.366000 193 A A 2 "ALA " " C " 6 0 1 1 51.29 3014 + 3015 15 19.381000 -9.267000 1.512000 193 A A 2 "ALA " " O " 8 0 1 1 48.21 3015 + 3016 3 17.627000 -9.670000 -1.236000 193 A A 2 "ALA " " CB " 6 0 1 1 63.93 3016 + 3017 43 17.833000 -7.368000 -2.101000 193 A A 2 "ALA " " H " 1 0 1 1 58.35 3017 + 3018 41 17.299000 -8.376000 0.443000 193 A A 2 "ALA " " HA " 1 0 1 1 55.61 3018 + 3019 41 17.591000 -10.608000 -0.681000 193 A A 2 "ALA " " HB1" 1 0 1 1 63.93 3019 + 3020 41 16.632000 -9.500000 -1.651000 193 A A 2 "ALA " " HB2" 1 0 1 1 63.93 3020 + 3021 41 18.313000 -9.807000 -2.072000 193 A A 2 "ALA " " HB3" 1 0 1 1 63.93 3021 + 3022 25 20.501000 -8.524000 -0.328000 194 A A 2 "ALA " " N " 7 0 1 1 49.13 3022 + 3023 3 21.868000 -8.611000 0.166000 194 A A 2 "ALA " " CA " 6 0 1 1 52.2 3023 + 3024 2 22.165000 -7.614000 1.301000 194 A A 2 "ALA " " C " 6 0 1 1 51.97 3024 + 3025 15 22.704000 -8.030000 2.324000 194 A A 2 "ALA " " O " 8 0 1 1 57.91 3025 + 3026 3 22.814000 -8.401000 -1.020000 194 A A 2 "ALA " " CB " 6 0 1 1 52.77 3026 + 3027 43 20.402000 -8.180000 -1.275000 194 A A 2 "ALA " " H " 1 0 1 1 49.13 3027 + 3028 41 22.021000 -9.621000 0.552000 194 A A 2 "ALA " " HA " 1 0 1 1 52.2 3028 + 3029 41 23.851000 -8.514000 -0.722000 194 A A 2 "ALA " " HB1" 1 0 1 1 52.77 3029 + 3030 41 22.620000 -9.130000 -1.804000 194 A A 2 "ALA " " HB2" 1 0 1 1 52.77 3030 + 3031 41 22.699000 -7.410000 -1.461000 194 A A 2 "ALA " " HB3" 1 0 1 1 52.77 3031 + 3032 25 21.778000 -6.337000 1.128000 195 T A 2 "THR " " N " 7 0 1 1 42.15 3032 + 3033 3 21.936000 -5.284000 2.140000 195 T A 2 "THR " " CA " 6 0 1 1 40.49 3033 + 3034 2 21.067000 -5.502000 3.398000 195 T A 2 "THR " " C " 6 0 1 1 47.63 3034 + 3035 15 21.533000 -5.213000 4.501000 195 T A 2 "THR " " O " 8 0 1 1 56.48 3035 + 3036 3 21.615000 -3.876000 1.569000 195 T A 2 "THR " " CB " 6 0 1 1 41.05 3036 + 3037 16 22.448000 -3.585000 0.471000 195 T A 2 "THR " " OG1" 8 0 1 1 53.04 3037 + 3038 3 21.834000 -2.715000 2.542000 195 T A 2 "THR " " CG2" 6 0 1 1 45.76 3038 + 3039 43 21.348000 -6.052000 0.258000 195 T A 2 "THR " " H " 1 0 1 1 42.15 3039 + 3040 41 22.973000 -5.297000 2.474000 195 T A 2 "THR " " HA " 1 0 1 1 40.49 3040 + 3041 41 20.585000 -3.848000 1.210000 195 T A 2 "THR " " HB " 1 0 1 1 41.05 3041 + 3042 42 23.355000 -3.528000 0.783000 195 T A 2 "THR " " HG1" 1 0 1 1 53.04 3042 + 3043 41 21.656000 -1.766000 2.039000 195 T A 2 "THR " "HG21" 1 0 1 1 45.76 3043 + 3044 41 21.159000 -2.768000 3.392000 195 T A 2 "THR " "HG22" 1 0 1 1 45.76 3044 + 3045 41 22.855000 -2.702000 2.925000 195 T A 2 "THR " "HG23" 1 0 1 1 45.76 3045 + 3046 25 19.849000 -6.044000 3.224000 196 N A 2 "ASN " " N " 7 0 1 1 47.37 3046 + 3047 3 18.949000 -6.426000 4.320000 196 N A 2 "ASN " " CA " 6 0 1 1 48.9 3047 + 3048 2 19.500000 -7.602000 5.142000 196 N A 2 "ASN " " C " 6 0 1 1 56.93 3048 + 3049 15 19.316000 -7.608000 6.359000 196 N A 2 "ASN " " O " 8 0 1 1 71.19 3049 + 3050 3 17.553000 -6.775000 3.760000 196 N A 2 "ASN " " CB " 6 0 1 1 53.88 3050 + 3051 2 16.776000 -5.572000 3.216000 196 N A 2 "ASN " " CG " 6 0 1 1 54.86 3051 + 3052 15 16.875000 -4.462000 3.733000 196 N A 2 "ASN " " OD1" 8 0 1 1 58.08 3052 + 3053 25 15.968000 -5.801000 2.182000 196 N A 2 "ASN " " ND2" 7 0 1 1 70.3 3053 + 3054 43 19.521000 -6.235000 2.286000 196 N A 2 "ASN " " H " 1 0 1 1 47.37 3054 + 3055 41 18.870000 -5.553000 4.971000 196 N A 2 "ASN " " HA " 1 0 1 1 48.9 3055 + 3056 41 16.937000 -7.201000 4.553000 196 N A 2 "ASN " " HB3" 1 0 1 1 53.88 3056 + 3057 41 17.636000 -7.546000 2.992000 196 N A 2 "ASN " " HB2" 1 0 1 1 53.88 3057 + 3058 43 15.421000 -5.046000 1.795000 196 N A 2 "ASN " "HD22" 1 0 1 1 70.3 3058 + 3059 43 15.893000 -6.725000 1.782000 196 N A 2 "ASN " "HD21" 1 0 1 1 70.3 3059 + 3060 25 20.189000 -8.547000 4.479000 197 A A 2 "ALA " " N " 7 0 1 1 56.71 3060 + 3061 3 20.879000 -9.657000 5.129000 197 A A 2 "ALA " " CA " 6 0 1 1 61.15 3061 + 3062 2 22.129000 -9.217000 5.906000 197 A A 2 "ALA " " C " 6 0 1 1 66.41 3062 + 3063 15 22.385000 -9.789000 6.966000 197 A A 2 "ALA " " O " 8 0 1 1 70.43 3063 + 3064 3 21.219000 -10.733000 4.089000 197 A A 2 "ALA " " CB " 6 0 1 1 49.09 3064 + 3065 43 20.284000 -8.486000 3.474000 197 A A 2 "ALA " " H " 1 0 1 1 56.71 3065 + 3066 41 20.188000 -10.092000 5.852000 197 A A 2 "ALA " " HA " 1 0 1 1 61.15 3066 + 3067 41 21.721000 -11.582000 4.552000 197 A A 2 "ALA " " HB1" 1 0 1 1 49.09 3067 + 3068 41 20.314000 -11.108000 3.613000 197 A A 2 "ALA " " HB2" 1 0 1 1 49.09 3068 + 3069 41 21.868000 -10.349000 3.304000 197 A A 2 "ALA " " HB3" 1 0 1 1 49.09 3069 + 3070 25 22.855000 -8.198000 5.398000 198 L A 2 "LEU " " N " 7 0 1 1 61.5 3070 + 3071 3 24.025000 -7.606000 6.060000 198 L A 2 "LEU " " CA " 6 0 1 1 49.91 3071 + 3072 2 23.696000 -7.021000 7.435000 198 L A 2 "LEU " " C " 6 0 1 1 50.54 3072 + 3073 15 24.491000 -7.213000 8.351000 198 L A 2 "LEU " " O " 8 0 1 1 54.77 3073 + 3074 3 24.705000 -6.539000 5.172000 198 L A 2 "LEU " " CB " 6 0 1 1 43.15 3074 + 3075 3 26.025000 -5.933000 5.740000 198 L A 2 "LEU " " CG " 6 0 1 1 42.28 3075 + 3076 3 27.172000 -6.958000 5.859000 198 L A 2 "LEU " " CD1" 6 0 1 1 37.58 3076 + 3077 3 26.447000 -4.651000 4.994000 198 L A 2 "LEU " " CD2" 6 0 1 1 33.37 3077 + 3078 43 22.587000 -7.790000 4.513000 198 L A 2 "LEU " " H " 1 0 1 1 61.5 3078 + 3079 41 24.730000 -8.421000 6.205000 198 L A 2 "LEU " " HA " 1 0 1 1 49.91 3079 + 3080 41 23.997000 -5.729000 5.004000 198 L A 2 "LEU " " HB3" 1 0 1 1 43.15 3080 + 3081 41 24.887000 -6.974000 4.195000 198 L A 2 "LEU " " HB2" 1 0 1 1 43.15 3081 + 3082 41 25.833000 -5.593000 6.756000 198 L A 2 "LEU " " HG " 1 0 1 1 42.28 3082 + 3083 41 28.094000 -6.621000 5.384000 198 L A 2 "LEU " "HD11" 1 0 1 1 37.58 3083 + 3084 41 27.408000 -7.152000 6.906000 198 L A 2 "LEU " "HD12" 1 0 1 1 37.58 3084 + 3085 41 26.921000 -7.915000 5.410000 198 L A 2 "LEU " "HD13" 1 0 1 1 37.58 3085 + 3086 41 26.588000 -3.830000 5.699000 198 L A 2 "LEU " "HD21" 1 0 1 1 33.37 3086 + 3087 41 27.384000 -4.761000 4.449000 198 L A 2 "LEU " "HD22" 1 0 1 1 33.37 3087 + 3088 41 25.692000 -4.325000 4.280000 198 L A 2 "LEU " "HD23" 1 0 1 1 33.37 3088 + 3089 25 22.538000 -6.348000 7.548000 199 L A 2 "LEU " " N " 7 0 1 1 43.83 3089 + 3090 3 22.066000 -5.676000 8.759000 199 L A 2 "LEU " " CA " 6 0 1 1 44.12 3090 + 3091 2 21.942000 -6.615000 9.974000 199 L A 2 "LEU " " C " 6 0 1 1 52.79 3091 + 3092 15 22.296000 -6.224000 11.088000 199 L A 2 "LEU " " O " 8 0 1 1 60.82 3092 + 3093 3 20.729000 -4.976000 8.426000 199 L A 2 "LEU " " CB " 6 0 1 1 34.58 3093 + 3094 3 20.232000 -3.979000 9.491000 199 L A 2 "LEU " " CG " 6 0 1 1 37.38 3094 + 3095 3 21.215000 -2.817000 9.679000 199 L A 2 "LEU " " CD1" 6 0 1 1 48.5 3095 + 3096 3 18.839000 -3.446000 9.124000 199 L A 2 "LEU " " CD2" 6 0 1 1 42.46 3096 + 3097 43 21.948000 -6.255000 6.734000 199 L A 2 "LEU " " H " 1 0 1 1 43.83 3097 + 3098 41 22.813000 -4.923000 9.009000 199 L A 2 "LEU " " HA " 1 0 1 1 44.12 3098 + 3099 41 19.963000 -5.735000 8.257000 199 L A 2 "LEU " " HB3" 1 0 1 1 34.58 3099 + 3100 41 20.827000 -4.445000 7.478000 199 L A 2 "LEU " " HB2" 1 0 1 1 34.58 3100 + 3101 41 20.130000 -4.495000 10.446000 199 L A 2 "LEU " " HG " 1 0 1 1 37.38 3101 + 3102 41 20.736000 -1.972000 10.170000 199 L A 2 "LEU " "HD11" 1 0 1 1 48.5 3102 + 3103 41 22.068000 -3.104000 10.290000 199 L A 2 "LEU " "HD12" 1 0 1 1 48.5 3103 + 3104 41 21.598000 -2.477000 8.718000 199 L A 2 "LEU " "HD13" 1 0 1 1 48.5 3104 + 3105 41 18.436000 -2.812000 9.915000 199 L A 2 "LEU " "HD21" 1 0 1 1 42.46 3105 + 3106 41 18.870000 -2.856000 8.207000 199 L A 2 "LEU " "HD22" 1 0 1 1 42.46 3106 + 3107 41 18.133000 -4.262000 8.968000 199 L A 2 "LEU " "HD23" 1 0 1 1 42.46 3107 + 3108 25 21.490000 -7.849000 9.710000 200 N A 2 "ASN " " N " 7 0 1 1 59.36 3108 + 3109 3 21.335000 -8.920000 10.694000 200 N A 2 "ASN " " CA " 6 0 1 1 67.05 3109 + 3110 2 22.655000 -9.669000 10.961000 200 N A 2 "ASN " " C " 6 0 1 1 66.56 3110 + 3111 15 22.791000 -10.260000 12.032000 200 N A 2 "ASN " " O " 8 0 1 1 60.76 3111 + 3112 3 20.247000 -9.902000 10.201000 200 N A 2 "ASN " " CB " 6 0 1 1 75.08 3112 + 3113 2 18.897000 -9.231000 9.926000 200 N A 2 "ASN " " CG " 6 0 1 1 78.28 3113 + 3114 15 18.410000 -8.442000 10.733000 200 N A 2 "ASN " " OD1" 8 0 1 1 74.45 3114 + 3115 25 18.283000 -9.543000 8.783000 200 N A 2 "ASN " " ND2" 7 0 1 1 79.55 3115 + 3116 43 21.240000 -8.083000 8.760000 200 N A 2 "ASN " " H " 1 0 1 1 59.36 3116 + 3117 41 21.013000 -8.494000 11.647000 200 N A 2 "ASN " " HA " 1 0 1 1 67.05 3117 + 3118 41 20.086000 -10.676000 10.950000 200 N A 2 "ASN " " HB3" 1 0 1 1 75.08 3118 + 3119 41 20.587000 -10.406000 9.295000 200 N A 2 "ASN " " HB2" 1 0 1 1 75.08 3119 + 3120 43 17.390000 -9.127000 8.562000 200 N A 2 "ASN " "HD22" 1 0 1 1 79.55 3120 + 3121 43 18.687000 -10.215000 8.147000 200 N A 2 "ASN " "HD21" 1 0 1 1 79.55 3121 + 3122 25 23.600000 -9.631000 10.003000 201 S A 2 "SER " " N " 7 0 1 1 65.2 3122 + 3123 3 24.896000 -10.305000 10.095000 201 S A 2 "SER " " CA " 6 0 1 1 71.45 3123 + 3124 2 25.965000 -9.525000 10.889000 201 S A 2 "SER " " C " 6 0 1 1 70.81 3124 + 3125 15 26.956000 -10.145000 11.266000 201 S A 2 "SER " " O " 8 0 1 1 72.08 3125 + 3126 3 25.372000 -10.719000 8.683000 201 S A 2 "SER " " CB " 6 0 1 1 70.94 3126 + 3127 16 26.033000 -9.682000 7.988000 201 S A 2 "SER " " OG " 8 0 1 1 85.74 3127 + 3128 43 23.421000 -9.122000 9.149000 201 S A 2 "SER " " H " 1 0 1 1 65.2 3128 + 3129 41 24.728000 -11.231000 10.641000 201 S A 2 "SER " " HA " 1 0 1 1 71.45 3129 + 3130 41 24.543000 -11.095000 8.082000 201 S A 2 "SER " " HB3" 1 0 1 1 70.94 3130 + 3131 41 26.081000 -11.544000 8.769000 201 S A 2 "SER " " HB2" 1 0 1 1 70.94 3131 + 3132 42 25.449000 -8.919000 7.945000 201 S A 2 "SER " " HG " 1 0 1 1 85.74 3132 + 3133 25 25.762000 -8.217000 11.158000 202 L A 2 "LEU " " N " 7 0 0 1 70.48 3133 + 3134 3 26.706000 -7.350000 11.892000 202 L A 2 "LEU " " CA " 6 0 0 1 71.69 3134 + 3135 2 27.097000 -7.868000 13.293000 202 L A 2 "LEU " " C " 6 0 0 1 77.89 3135 + 3136 15 28.194000 -7.565000 13.759000 202 L A 2 "LEU " " O " 8 0 0 1 73.85 3136 + 3137 3 26.146000 -5.912000 12.020000 202 L A 2 "LEU " " CB " 6 0 0 1 59.4 3137 + 3138 3 25.935000 -5.156000 10.692000 202 L A 2 "LEU " " CG " 6 0 0 1 56.76 3138 + 3139 3 25.251000 -3.801000 10.931000 202 L A 2 "LEU " " CD1" 6 0 0 1 58.69 3139 + 3140 3 27.239000 -4.998000 9.884000 202 L A 2 "LEU " " CD2" 6 0 0 1 53.72 3140 + 3141 43 24.927000 -7.769000 10.809000 202 L A 2 "LEU " " H " 1 0 0 1 70.48 3141 + 3142 41 27.621000 -7.311000 11.304000 202 L A 2 "LEU " " HA " 1 0 0 1 71.69 3142 + 3143 41 26.823000 -5.318000 12.636000 202 L A 2 "LEU " " HB3" 1 0 0 1 59.4 3143 + 3144 41 25.200000 -5.945000 12.563000 202 L A 2 "LEU " " HB2" 1 0 0 1 59.4 3144 + 3145 41 25.241000 -5.728000 10.088000 202 L A 2 "LEU " " HG " 1 0 0 1 56.76 3145 + 3146 41 25.363000 -3.125000 10.083000 202 L A 2 "LEU " "HD11" 1 0 0 1 58.69 3146 + 3147 41 24.182000 -3.940000 11.083000 202 L A 2 "LEU " "HD12" 1 0 0 1 58.69 3147 + 3148 41 25.651000 -3.298000 11.811000 202 L A 2 "LEU " "HD13" 1 0 0 1 58.69 3148 + 3149 41 27.353000 -4.000000 9.463000 202 L A 2 "LEU " "HD21" 1 0 0 1 53.72 3149 + 3150 41 28.123000 -5.185000 10.494000 202 L A 2 "LEU " "HD22" 1 0 0 1 53.72 3150 + 3151 41 27.262000 -5.699000 9.049000 202 L A 2 "LEU " "HD23" 1 0 0 1 53.72 3151 + 3152 25 26.195000 -8.645000 13.914000 203 E A 2 "GLU " " N " 7 0 0 1 84.16 3152 + 3153 3 26.309000 -9.238000 15.244000 203 E A 2 "GLU " " CA " 6 0 0 1 89.37 3153 + 3154 2 27.449000 -10.265000 15.377000 203 E A 2 "GLU " " C " 6 0 0 1 87.22 3154 + 3155 15 28.173000 -10.218000 16.371000 203 E A 2 "GLU " " O " 8 0 0 1 98.3 3155 + 3156 3 24.960000 -9.896000 15.601000 203 E A 2 "GLU " " CB " 6 0 0 1 102.01 3156 + 3157 3 23.757000 -8.935000 15.492000 203 E A 2 "GLU " " CG " 6 0 0 1 124.05 3157 + 3158 2 22.422000 -9.573000 15.877000 203 E A 2 "GLU " " CD " 6 0 0 1 141.36 3158 + 3159 15 22.291000 -10.807000 15.726000 203 E A 2 "GLU " " OE1" 8 0 0 1 144.33 3159 + 3160 18 21.544000 -8.792000 16.301000 203 E A 2 "GLU " " OE2" 8 -1 0 1 153.81 3160 + 3161 43 25.335000 -8.855000 13.429000 203 E A 2 "GLU " " H " 1 0 0 1 84.16 3161 + 3162 41 26.499000 -8.429000 15.952000 203 E A 2 "GLU " " HA " 1 0 0 1 89.37 3162 + 3163 41 25.008000 -10.300000 16.614000 203 E A 2 "GLU " " HB3" 1 0 0 1 102.01 3163 + 3164 41 24.793000 -10.752000 14.944000 203 E A 2 "GLU " " HB2" 1 0 0 1 102.01 3164 + 3165 41 23.647000 -8.566000 14.472000 203 E A 2 "GLU " " HG3" 1 0 0 1 124.05 3165 + 3166 41 23.928000 -8.065000 16.127000 203 E A 2 "GLU " " HG2" 1 0 0 1 124.05 3166 + 3167 25 27.578000 -11.166000 14.387000 204 F A 2 "PHE " " N " 7 0 0 1 81.99 3167 + 3168 3 28.520000 -12.291000 14.401000 204 F A 2 "PHE " " CA " 6 0 0 1 73.78 3168 + 3169 2 29.742000 -12.111000 13.480000 204 F A 2 "PHE " " C " 6 0 0 1 71.95 3169 + 3170 15 30.486000 -13.074000 13.292000 204 F A 2 "PHE " " O " 8 0 0 1 80.64 3170 + 3171 3 27.757000 -13.613000 14.150000 204 F A 2 "PHE " " CB " 6 0 0 1 76.79 3171 + 3172 2 26.988000 -13.766000 12.849000 204 F A 2 "PHE " " CG " 6 0 0 1 70.28 3172 + 3173 2 27.669000 -14.026000 11.641000 204 F A 2 "PHE " " CD1" 6 0 0 1 67.09 3173 + 3174 2 25.589000 -13.581000 12.822000 204 F A 2 "PHE " " CD2" 6 0 0 1 69.31 3174 + 3175 2 26.961000 -14.152000 10.456000 204 F A 2 "PHE " " CE1" 6 0 0 1 54.61 3175 + 3176 2 24.895000 -13.733000 11.630000 204 F A 2 "PHE " " CE2" 6 0 0 1 72.74 3176 + 3177 2 25.581000 -14.019000 10.456000 204 F A 2 "PHE " " CZ " 6 0 0 1 71.54 3177 + 3178 43 26.957000 -11.122000 13.590000 204 F A 2 "PHE " " H " 1 0 0 1 81.99 3178 + 3179 41 28.948000 -12.384000 15.400000 204 F A 2 "PHE " " HA " 1 0 0 1 73.78 3179 + 3180 41 27.086000 -13.798000 14.986000 204 F A 2 "PHE " " HB3" 1 0 0 1 76.79 3180 + 3181 41 28.461000 -14.443000 14.166000 204 F A 2 "PHE " " HB2" 1 0 0 1 76.79 3181 + 3182 41 28.739000 -14.150000 11.635000 204 F A 2 "PHE " " HD1" 1 0 0 1 67.09 3182 + 3183 41 25.051000 -13.345000 13.726000 204 F A 2 "PHE " " HD2" 1 0 0 1 69.31 3183 + 3184 41 27.483000 -14.363000 9.535000 204 F A 2 "PHE " " HE1" 1 0 0 1 54.61 3184 + 3185 41 23.821000 -13.616000 11.613000 204 F A 2 "PHE " " HE2" 1 0 0 1 72.74 3185 + 3186 41 25.047000 -14.131000 9.528000 204 F A 2 "PHE " " HZ " 1 0 0 1 71.54 3186 + 3187 25 29.944000 -10.901000 12.936000 205 T A 2 "THR " " N " 7 0 0 1 67.95 3187 + 3188 3 31.034000 -10.584000 12.007000 205 T A 2 "THR " " CA " 6 0 0 1 69.59 3188 + 3189 2 32.090000 -9.644000 12.629000 205 T A 2 "THR " " C " 6 0 0 1 71.71 3189 + 3190 15 32.866000 -9.064000 11.871000 205 T A 2 "THR " " O " 8 0 0 1 65.64 3190 + 3191 3 30.480000 -9.942000 10.705000 205 T A 2 "THR " " CB " 6 0 0 1 78.4 3191 + 3192 16 29.730000 -8.776000 10.983000 205 T A 2 "THR " " OG1" 8 0 0 1 73.26 3192 + 3193 3 29.634000 -10.924000 9.878000 205 T A 2 "THR " " CG2" 6 0 0 1 70.83 3193 + 3194 43 29.301000 -10.150000 13.141000 205 T A 2 "THR " " H " 1 0 0 1 67.95 3194 + 3195 41 31.571000 -11.491000 11.722000 205 T A 2 "THR " " HA " 1 0 0 1 69.59 3195 + 3196 41 31.303000 -9.630000 10.064000 205 T A 2 "THR " " HB " 1 0 0 1 78.4 3196 + 3197 42 28.840000 -9.047000 11.226000 205 T A 2 "THR " " HG1" 1 0 0 1 73.26 3197 + 3198 41 29.117000 -10.421000 9.061000 205 T A 2 "THR " "HG21" 1 0 0 1 70.83 3198 + 3199 41 30.266000 -11.697000 9.441000 205 T A 2 "THR " "HG22" 1 0 0 1 70.83 3199 + 3200 41 28.892000 -11.445000 10.478000 205 T A 2 "THR " "HG23" 1 0 0 1 70.83 3200 + 3201 25 32.169000 -9.552000 13.974000 206 K A 2 "LYS " " N " 7 0 1 1 78.57 3201 + 3202 3 33.176000 -8.750000 14.690000 206 K A 2 "LYS " " CA " 6 0 1 1 76.3 3202 + 3203 2 34.626000 -8.988000 14.230000 206 K A 2 "LYS " " C " 6 0 1 1 75.24 3203 + 3204 15 35.329000 -8.007000 14.002000 206 K A 2 "LYS " " O " 8 0 1 1 78.29 3204 + 3205 3 33.015000 -8.871000 16.227000 206 K A 2 "LYS " " CB " 6 0 1 1 58.41 3205 + 3206 3 34.161000 -8.192000 17.010000 206 K A 2 "LYS " " CG " 6 0 1 1 82.85 3206 + 3207 3 33.971000 -8.081000 18.524000 206 K A 2 "LYS " " CD " 6 0 1 1 93.34 3207 + 3208 3 35.200000 -7.414000 19.166000 206 K A 2 "LYS " " CE " 6 0 1 1 93.43 3208 + 3209 32 35.059000 -7.299000 20.625000 206 K A 2 "LYS " " NZ " 7 1 1 1 98.05 3209 + 3210 43 31.511000 -10.060000 14.546000 206 K A 2 "LYS " " H " 1 0 1 1 78.57 3210 + 3211 41 32.962000 -7.713000 14.433000 206 K A 2 "LYS " " HA " 1 0 1 1 76.3 3211 + 3212 41 32.971000 -9.923000 16.514000 206 K A 2 "LYS " " HB3" 1 0 1 1 58.41 3212 + 3213 41 32.059000 -8.433000 16.518000 206 K A 2 "LYS " " HB2" 1 0 1 1 58.41 3213 + 3214 41 34.334000 -7.194000 16.602000 206 K A 2 "LYS " " HG3" 1 0 1 1 82.85 3214 + 3215 41 35.080000 -8.753000 16.849000 206 K A 2 "LYS " " HG2" 1 0 1 1 82.85 3215 + 3216 41 33.816000 -9.074000 18.948000 206 K A 2 "LYS " " HD3" 1 0 1 1 93.34 3216 + 3217 41 33.073000 -7.502000 18.740000 206 K A 2 "LYS " " HD2" 1 0 1 1 93.34 3217 + 3218 41 35.350000 -6.417000 18.748000 206 K A 2 "LYS " " HE3" 1 0 1 1 93.43 3218 + 3219 41 36.101000 -7.989000 18.948000 206 K A 2 "LYS " " HE2" 1 0 1 1 93.43 3219 + 3220 44 35.883000 -6.856000 21.007000 206 K A 2 "LYS " " HZ1" 1 0 1 1 98.05 3220 + 3221 44 34.246000 -6.740000 20.843000 206 K A 2 "LYS " " HZ2" 1 0 1 1 98.05 3221 + 3222 44 34.954000 -8.219000 21.027000 206 K A 2 "LYS " " HZ3" 1 0 1 1 98.05 3222 + 3223 25 35.013000 -10.263000 14.048000 207 A A 2 "ALA " " N " 7 0 1 1 76.43 3223 + 3224 3 36.328000 -10.692000 13.559000 207 A A 2 "ALA " " CA " 6 0 1 1 72.74 3224 + 3225 2 36.773000 -10.019000 12.245000 207 A A 2 "ALA " " C " 6 0 1 1 74.37 3225 + 3226 15 37.956000 -9.716000 12.092000 207 A A 2 "ALA " " O " 8 0 1 1 76.1 3226 + 3227 3 36.309000 -12.219000 13.390000 207 A A 2 "ALA " " CB " 6 0 1 1 72.77 3227 + 3228 43 34.354000 -11.003000 14.243000 207 A A 2 "ALA " " H " 1 0 1 1 76.43 3228 + 3229 41 37.059000 -10.434000 14.328000 207 A A 2 "ALA " " HA " 1 0 1 1 72.74 3229 + 3230 41 37.278000 -12.591000 13.053000 207 A A 2 "ALA " " HB1" 1 0 1 1 72.77 3230 + 3231 41 36.084000 -12.715000 14.335000 207 A A 2 "ALA " " HB2" 1 0 1 1 72.77 3231 + 3232 41 35.560000 -12.533000 12.661000 207 A A 2 "ALA " " HB3" 1 0 1 1 72.77 3232 + 3233 25 35.805000 -9.773000 11.349000 208 N A 2 "ASN " " N " 7 0 1 1 72.29 3233 + 3234 3 35.995000 -9.155000 10.037000 208 N A 2 "ASN " " CA " 6 0 1 1 68.56 3234 + 3235 2 36.150000 -7.628000 10.127000 208 N A 2 "ASN " " C " 6 0 1 1 72.51 3235 + 3236 15 36.980000 -7.073000 9.410000 208 N A 2 "ASN " " O " 8 0 1 1 75.99 3236 + 3237 3 34.825000 -9.523000 9.096000 208 N A 2 "ASN " " CB " 6 0 1 1 72.64 3237 + 3238 2 34.543000 -11.029000 9.058000 208 N A 2 "ASN " " CG " 6 0 1 1 75.24 3238 + 3239 15 33.682000 -11.521000 9.788000 208 N A 2 "ASN " " OD1" 8 0 1 1 65.52 3239 + 3240 25 35.275000 -11.759000 8.218000 208 N A 2 "ASN " " ND2" 7 0 1 1 84.36 3240 + 3241 43 34.854000 -10.031000 11.574000 208 N A 2 "ASN " " H " 1 0 1 1 72.29 3241 + 3242 41 36.919000 -9.531000 9.593000 208 N A 2 "ASN " " HA " 1 0 1 1 68.56 3242 + 3243 41 35.030000 -9.169000 8.084000 208 N A 2 "ASN " " HB3" 1 0 1 1 72.64 3243 + 3244 41 33.910000 -9.019000 9.410000 208 N A 2 "ASN " " HB2" 1 0 1 1 72.64 3244 + 3245 43 35.153000 -12.762000 8.161000 208 N A 2 "ASN " "HD22" 1 0 1 1 84.36 3245 + 3246 43 36.013000 -11.323000 7.672000 208 N A 2 "ASN " "HD21" 1 0 1 1 84.36 3246 + 3247 25 35.383000 -6.982000 11.026000 209 F A 2 "PHE " " N " 7 0 1 1 72.14 3247 + 3248 3 35.489000 -5.549000 11.324000 209 F A 2 "PHE " " CA " 6 0 1 1 81.72 3248 + 3249 2 36.775000 -5.158000 12.074000 209 F A 2 "PHE " " C " 6 0 1 1 86.66 3249 + 3250 15 37.228000 -4.027000 11.922000 209 F A 2 "PHE " " O " 8 0 1 1 88.89 3250 + 3251 3 34.239000 -5.050000 12.080000 209 F A 2 "PHE " " CB " 6 0 1 1 82.29 3251 + 3252 2 33.025000 -4.783000 11.206000 209 F A 2 "PHE " " CG " 6 0 1 1 81.2 3252 + 3253 2 32.168000 -5.838000 10.832000 209 F A 2 "PHE " " CD1" 6 0 1 1 82.83 3253 + 3254 2 32.814000 -3.506000 10.644000 209 F A 2 "PHE " " CD2" 6 0 1 1 73.92 3254 + 3255 2 31.102000 -5.605000 9.976000 209 F A 2 "PHE " " CE1" 6 0 1 1 70.98 3255 + 3256 2 31.747000 -3.291000 9.782000 209 F A 2 "PHE " " CE2" 6 0 1 1 71.06 3256 + 3257 2 30.890000 -4.334000 9.458000 209 F A 2 "PHE " " CZ " 6 0 1 1 66.87 3257 + 3258 43 34.727000 -7.508000 11.587000 209 F A 2 "PHE " " H " 1 0 1 1 72.14 3258 + 3259 41 35.527000 -5.027000 10.367000 209 F A 2 "PHE " " HA " 1 0 1 1 81.72 3259 + 3260 41 34.461000 -4.126000 12.618000 209 F A 2 "PHE " " HB3" 1 0 1 1 82.29 3260 + 3261 41 33.961000 -5.774000 12.846000 209 F A 2 "PHE " " HB2" 1 0 1 1 82.29 3261 + 3262 41 32.327000 -6.826000 11.223000 209 F A 2 "PHE " " HD1" 1 0 1 1 82.83 3262 + 3263 41 33.465000 -2.683000 10.901000 209 F A 2 "PHE " " HD2" 1 0 1 1 73.92 3263 + 3264 41 30.438000 -6.414000 9.708000 209 F A 2 "PHE " " HE1" 1 0 1 1 70.98 3264 + 3265 41 31.583000 -2.307000 9.368000 209 F A 2 "PHE " " HE2" 1 0 1 1 71.06 3265 + 3266 41 30.057000 -4.157000 8.793000 209 F A 2 "PHE " " HZ " 1 0 1 1 66.87 3266 + 3267 25 37.349000 -6.088000 12.854000 210 D A 2 "ASP " " N " 7 0 1 1 90.4 3267 + 3268 3 38.620000 -5.898000 13.561000 210 D A 2 "ASP " " CA " 6 0 1 1 90.19 3268 + 3269 2 39.837000 -5.921000 12.621000 210 D A 2 "ASP " " C " 6 0 1 1 89.23 3269 + 3270 15 40.802000 -5.201000 12.880000 210 D A 2 "ASP " " O " 8 0 1 1 94.8 3270 + 3271 3 38.820000 -6.879000 14.740000 210 D A 2 "ASP " " CB " 6 0 1 1 92.54 3271 + 3272 2 37.671000 -6.925000 15.756000 210 D A 2 "ASP " " CG " 6 0 1 1 101.44 3272 + 3273 15 37.031000 -5.872000 15.980000 210 D A 2 "ASP " " OD1" 8 0 1 1 103.44 3273 + 3274 18 37.509000 -8.002000 16.367000 210 D A 2 "ASP " " OD2" 8 -1 1 1 100.88 3274 + 3275 43 36.897000 -6.985000 12.976000 210 D A 2 "ASP " " H " 1 0 1 1 90.4 3275 + 3276 41 38.595000 -4.893000 13.978000 210 D A 2 "ASP " " HA " 1 0 1 1 90.19 3276 + 3277 41 39.738000 -6.640000 15.278000 210 D A 2 "ASP " " HB3" 1 0 1 1 92.54 3277 + 3278 41 38.938000 -7.883000 14.328000 210 D A 2 "ASP " " HB2" 1 0 1 1 92.54 3278 + 3279 25 39.758000 -6.715000 11.540000 211 K A 2 "LYS " " N " 7 0 0 1 66.79 3279 + 3280 3 40.776000 -6.791000 10.498000 211 K A 2 "LYS " " CA " 6 0 0 1 70.25 3280 + 3281 2 40.632000 -5.595000 9.548000 211 K A 2 "LYS " " C " 6 0 0 1 83 3281 + 3282 15 39.616000 -5.496000 8.858000 211 K A 2 "LYS " " O " 8 0 0 1 74.04 3282 + 3283 3 40.648000 -8.147000 9.780000 211 K A 2 "LYS " " CB " 6 0 0 1 102.02 3283 + 3284 3 41.765000 -8.422000 8.760000 211 K A 2 "LYS " " CG " 6 0 0 1 113.28 3284 + 3285 3 41.784000 -9.893000 8.326000 211 K A 2 "LYS " " CD " 6 0 0 1 119.55 3285 + 3286 3 42.941000 -10.231000 7.381000 211 K A 2 "LYS " " CE " 6 0 0 1 128.14 3286 + 3287 32 42.911000 -11.655000 7.007000 211 K A 2 "LYS " " NZ " 7 1 0 1 131.21 3287 + 3288 43 38.924000 -7.266000 11.388000 211 K A 2 "LYS " " H " 1 0 0 1 66.79 3288 + 3289 41 41.760000 -6.755000 10.971000 211 K A 2 "LYS " " HA " 1 0 0 1 70.25 3289 + 3290 41 39.673000 -8.239000 9.298000 211 K A 2 "LYS " " HB3" 1 0 0 1 102.02 3290 + 3291 41 40.678000 -8.930000 10.540000 211 K A 2 "LYS " " HB2" 1 0 0 1 102.02 3291 + 3292 41 42.731000 -8.159000 9.193000 211 K A 2 "LYS " " HG3" 1 0 0 1 113.28 3292 + 3293 41 41.630000 -7.785000 7.887000 211 K A 2 "LYS " " HG2" 1 0 0 1 113.28 3293 + 3294 41 40.836000 -10.137000 7.847000 211 K A 2 "LYS " " HD3" 1 0 0 1 119.55 3294 + 3295 41 41.845000 -10.530000 9.210000 211 K A 2 "LYS " " HD2" 1 0 0 1 119.55 3295 + 3296 41 43.898000 -10.011000 7.855000 211 K A 2 "LYS " " HE3" 1 0 0 1 128.14 3296 + 3297 41 42.881000 -9.627000 6.475000 211 K A 2 "LYS " " HE2" 1 0 0 1 128.14 3297 + 3298 44 42.036000 -11.859000 6.544000 211 K A 2 "LYS " " HZ1" 1 0 0 1 131.21 3298 + 3299 44 43.677000 -11.860000 6.382000 211 K A 2 "LYS " " HZ2" 1 0 0 1 131.21 3299 + 3300 44 42.990000 -12.226000 7.837000 211 K A 2 "LYS " " HZ3" 1 0 0 1 131.21 3300 + 3301 25 41.648000 -4.713000 9.550000 212 E A 2 "GLU " " N " 7 0 1 1 103.61 3301 + 3302 3 41.684000 -3.441000 8.817000 212 E A 2 "GLU " " CA " 6 0 1 1 110.24 3302 + 3303 2 41.397000 -3.615000 7.314000 212 E A 2 "GLU " " C " 6 0 1 1 103.4 3303 + 3304 15 40.559000 -2.884000 6.797000 212 E A 2 "GLU " " O " 8 0 1 1 106.26 3304 + 3305 3 43.029000 -2.731000 9.121000 212 E A 2 "GLU " " CB " 6 0 1 1 125.04 3305 + 3306 3 43.076000 -1.198000 8.911000 212 E A 2 "GLU " " CG " 6 0 1 1 138.28 3306 + 3307 2 42.966000 -0.715000 7.464000 212 E A 2 "GLU " " CD " 6 0 1 1 158.32 3307 + 3308 15 43.718000 -1.249000 6.619000 212 E A 2 "GLU " " OE1" 8 0 1 1 154.67 3308 + 3309 18 42.130000 0.186000 7.235000 212 E A 2 "GLU " " OE2" 8 -1 1 1 166 3309 + 3310 43 42.438000 -4.885000 10.154000 212 E A 2 "GLU " " H " 1 0 1 1 103.61 3310 + 3311 41 40.878000 -2.834000 9.227000 212 E A 2 "GLU " " HA " 1 0 1 1 110.24 3311 + 3312 41 43.827000 -3.196000 8.538000 212 E A 2 "GLU " " HB3" 1 0 1 1 125.04 3312 + 3313 41 43.298000 -2.919000 10.161000 212 E A 2 "GLU " " HB2" 1 0 1 1 125.04 3313 + 3314 41 44.021000 -0.817000 9.301000 212 E A 2 "GLU " " HG3" 1 0 1 1 138.28 3314 + 3315 41 42.295000 -0.726000 9.507000 212 E A 2 "GLU " " HG2" 1 0 1 1 138.28 3315 + 3316 25 42.020000 -4.631000 6.689000 213 S A 2 "SER " " N " 7 0 1 1 88.03 3316 + 3317 3 41.835000 -5.042000 5.293000 213 S A 2 "SER " " CA " 6 0 1 1 77.65 3317 + 3318 2 40.362000 -5.251000 4.886000 213 S A 2 "SER " " C " 6 0 1 1 74.87 3318 + 3319 15 39.902000 -4.613000 3.938000 213 S A 2 "SER " " O " 8 0 1 1 76.89 3319 + 3320 3 42.679000 -6.317000 5.051000 213 S A 2 "SER " " CB " 6 0 1 1 125.86 3320 + 3321 16 42.528000 -6.842000 3.746000 213 S A 2 "SER " " OG " 8 0 1 1 138.46 3321 + 3322 43 42.678000 -5.182000 7.219000 213 S A 2 "SER " " H " 1 0 1 1 88.03 3322 + 3323 41 42.238000 -4.243000 4.668000 213 S A 2 "SER " " HA " 1 0 1 1 77.65 3323 + 3324 41 42.408000 -7.098000 5.761000 213 S A 2 "SER " " HB3" 1 0 1 1 125.86 3324 + 3325 41 43.736000 -6.101000 5.213000 213 S A 2 "SER " " HB2" 1 0 1 1 125.86 3325 + 3326 42 41.628000 -7.161000 3.641000 213 S A 2 "SER " " HG " 1 0 1 1 138.46 3326 + 3327 25 39.666000 -6.147000 5.604000 214 E A 2 "GLU " " N " 7 0 1 1 73.9 3327 + 3328 3 38.297000 -6.563000 5.299000 214 E A 2 "GLU " " CA " 6 0 1 1 70.64 3328 + 3329 2 37.252000 -5.493000 5.627000 214 E A 2 "GLU " " C " 6 0 1 1 72.81 3329 + 3330 15 36.316000 -5.319000 4.848000 214 E A 2 "GLU " " O " 8 0 1 1 71.11 3330 + 3331 3 37.974000 -7.877000 6.030000 214 E A 2 "GLU " " CB " 6 0 1 1 86.93 3331 + 3332 3 38.874000 -9.043000 5.580000 214 E A 2 "GLU " " CG " 6 0 1 1 96.51 3332 + 3333 2 38.498000 -10.394000 6.191000 214 E A 2 "GLU " " CD " 6 0 1 1 106.38 3333 + 3334 15 37.649000 -10.421000 7.110000 214 E A 2 "GLU " " OE1" 8 0 1 1 103.27 3334 + 3335 18 39.093000 -11.389000 5.726000 214 E A 2 "GLU " " OE2" 8 -1 1 1 114.57 3335 + 3336 43 40.101000 -6.604000 6.393000 214 E A 2 "GLU " " H " 1 0 1 1 73.9 3336 + 3337 41 38.235000 -6.753000 4.226000 214 E A 2 "GLU " " HA " 1 0 1 1 70.64 3337 + 3338 41 36.927000 -8.137000 5.867000 214 E A 2 "GLU " " HB3" 1 0 1 1 86.93 3338 + 3339 41 38.089000 -7.734000 7.105000 214 E A 2 "GLU " " HB2" 1 0 1 1 86.93 3339 + 3340 41 39.914000 -8.839000 5.831000 214 E A 2 "GLU " " HG3" 1 0 1 1 96.51 3340 + 3341 41 38.827000 -9.142000 4.495000 214 E A 2 "GLU " " HG2" 1 0 1 1 96.51 3341 + 3342 25 37.448000 -4.780000 6.748000 215 R A 2 "ARG " " N " 7 0 1 1 84.01 3342 + 3343 3 36.597000 -3.682000 7.199000 215 R A 2 "ARG " " CA " 6 0 1 1 76.12 3343 + 3344 2 36.538000 -2.529000 6.182000 215 R A 2 "ARG " " C " 6 0 1 1 77.79 3344 + 3345 15 35.446000 -2.050000 5.883000 215 R A 2 "ARG " " O " 8 0 1 1 88.62 3345 + 3346 3 37.128000 -3.163000 8.541000 215 R A 2 "ARG " " CB " 6 0 1 1 77.56 3346 + 3347 3 36.145000 -2.253000 9.301000 215 R A 2 "ARG " " CG " 6 0 1 1 63.39 3347 + 3348 3 36.822000 -1.110000 10.051000 215 R A 2 "ARG " " CD " 6 0 1 1 64.98 3348 + 3349 25 37.972000 -1.567000 10.839000 215 R A 2 "ARG " " NE " 7 0 1 1 76.61 3349 + 3350 2 39.218000 -1.064000 10.807000 215 R A 2 "ARG " " CZ " 6 0 1 1 89.48 3350 + 3351 25 39.525000 0.014000 10.072000 215 R A 2 "ARG " " NH1" 7 0 1 1 97.19 3351 + 3352 31 40.176000 -1.667000 11.521000 215 R A 2 "ARG " " NH2" 7 1 1 1 85.17 3352 + 3353 43 38.241000 -4.996000 7.339000 215 R A 2 "ARG " " H " 1 0 1 1 84.01 3353 + 3354 41 35.588000 -4.075000 7.341000 215 R A 2 "ARG " " HA " 1 0 1 1 76.12 3354 + 3355 41 38.063000 -2.631000 8.354000 215 R A 2 "ARG " " HB3" 1 0 1 1 77.56 3355 + 3356 41 37.398000 -3.993000 9.193000 215 R A 2 "ARG " " HB2" 1 0 1 1 77.56 3356 + 3357 41 35.437000 -2.807000 9.910000 215 R A 2 "ARG " " HG3" 1 0 1 1 63.39 3357 + 3358 41 35.531000 -1.744000 8.559000 215 R A 2 "ARG " " HG2" 1 0 1 1 63.39 3358 + 3359 41 36.105000 -0.761000 10.792000 215 R A 2 "ARG " " HD3" 1 0 1 1 64.98 3359 + 3360 41 37.026000 -0.269000 9.400000 215 R A 2 "ARG " " HD2" 1 0 1 1 64.98 3360 + 3361 43 37.796000 -2.383000 11.418000 215 R A 2 "ARG " " HE " 1 0 1 1 76.61 3361 + 3362 43 40.472000 0.363000 10.036000 215 R A 2 "ARG " "HH12" 1 0 1 1 97.19 3362 + 3363 43 38.825000 0.446000 9.484000 215 R A 2 "ARG " "HH11" 1 0 1 1 97.19 3363 + 3364 44 41.123000 -1.315000 11.512000 215 R A 2 "ARG " "HH22" 1 0 1 1 85.17 3364 + 3365 44 39.960000 -2.488000 12.070000 215 R A 2 "ARG " "HH21" 1 0 1 1 85.17 3365 + 3366 25 37.713000 -2.146000 5.650000 216 H A 2 "HIS " " N " 7 0 1 1 73.26 3366 + 3367 3 37.889000 -1.125000 4.616000 216 H A 2 "HIS " " CA " 6 0 1 1 75.53 3367 + 3368 2 37.086000 -1.417000 3.339000 216 H A 2 "HIS " " C " 6 0 1 1 69.1 3368 + 3369 15 36.547000 -0.482000 2.750000 216 H A 2 "HIS " " O " 8 0 1 1 89.14 3369 + 3370 3 39.394000 -0.991000 4.305000 216 H A 2 "HIS " " CB " 6 0 1 1 111.17 3370 + 3371 2 39.844000 0.390000 3.923000 216 H A 2 "HIS " " CG " 6 0 1 1 128.94 3371 + 3372 25 40.136000 1.366000 4.880000 216 H A 2 "HIS " " ND1" 7 0 1 1 138.52 3372 + 3373 2 40.058000 0.914000 2.666000 216 H A 2 "HIS " " CD2" 6 0 1 1 142.41 3373 + 3374 2 40.532000 2.419000 4.179000 216 H A 2 "HIS " " CE1" 6 0 1 1 149.7 3374 + 3375 25 40.500000 2.210000 2.862000 216 H A 2 "HIS " " NE2" 7 0 1 1 154.64 3375 + 3376 43 38.562000 -2.599000 5.961000 216 H A 2 "HIS " " H " 1 0 1 1 73.26 3376 + 3377 41 37.526000 -0.190000 5.045000 216 H A 2 "HIS " " HA " 1 0 1 1 75.53 3377 + 3378 41 39.712000 -1.703000 3.542000 216 H A 2 "HIS " " HB3" 1 0 1 1 111.17 3378 + 3379 41 39.980000 -1.225000 5.187000 216 H A 2 "HIS " " HB2" 1 0 1 1 111.17 3379 + 3380 41 39.941000 0.480000 1.683000 216 H A 2 "HIS " " HD2" 1 0 1 1 142.41 3380 + 3381 41 40.840000 3.352000 4.629000 216 H A 2 "HIS " " HE1" 1 0 1 1 149.7 3381 + 3382 43 40.754000 2.874000 2.144000 216 H A 2 "HIS " " HE2" 1 0 1 1 154.64 3382 + 3383 25 36.988000 -2.707000 2.972000 217 F A 2 "PHE " " N " 7 0 1 1 67.84 3383 + 3384 3 36.202000 -3.171000 1.835000 217 F A 2 "PHE " " CA " 6 0 1 1 60.28 3384 + 3385 2 34.686000 -3.199000 2.106000 217 F A 2 "PHE " " C " 6 0 1 1 60.01 3385 + 3386 15 33.926000 -2.835000 1.210000 217 F A 2 "PHE " " O " 8 0 1 1 64.28 3386 + 3387 3 36.744000 -4.527000 1.341000 217 F A 2 "PHE " " CB " 6 0 1 1 69.62 3387 + 3388 2 36.056000 -5.059000 0.097000 217 F A 2 "PHE " " CG " 6 0 1 1 75.89 3388 + 3389 2 36.161000 -4.343000 -1.116000 217 F A 2 "PHE " " CD1" 6 0 1 1 69.2 3389 + 3390 2 35.245000 -6.212000 0.149000 217 F A 2 "PHE " " CD2" 6 0 1 1 87.88 3390 + 3391 2 35.490000 -4.788000 -2.245000 217 F A 2 "PHE " " CE1" 6 0 1 1 51.82 3391 + 3392 2 34.602000 -6.652000 -1.000000 217 F A 2 "PHE " " CE2" 6 0 1 1 73.79 3392 + 3393 2 34.720000 -5.942000 -2.188000 217 F A 2 "PHE " " CZ " 6 0 1 1 60.25 3393 + 3394 43 37.457000 -3.417000 3.518000 217 F A 2 "PHE " " H " 1 0 1 1 67.84 3394 + 3395 41 36.360000 -2.454000 1.027000 217 F A 2 "PHE " " HA " 1 0 1 1 60.28 3395 + 3396 41 36.703000 -5.273000 2.136000 217 F A 2 "PHE " " HB3" 1 0 1 1 69.62 3396 + 3397 41 37.800000 -4.411000 1.094000 217 F A 2 "PHE " " HB2" 1 0 1 1 69.62 3397 + 3398 41 36.758000 -3.444000 -1.168000 217 F A 2 "PHE " " HD1" 1 0 1 1 69.2 3398 + 3399 41 35.133000 -6.762000 1.072000 217 F A 2 "PHE " " HD2" 1 0 1 1 87.88 3399 + 3400 41 35.569000 -4.239000 -3.172000 217 F A 2 "PHE " " HE1" 1 0 1 1 51.82 3400 + 3401 41 34.011000 -7.554000 -0.975000 217 F A 2 "PHE " " HE2" 1 0 1 1 73.79 3401 + 3402 41 34.214000 -6.295000 -3.072000 217 F A 2 "PHE " " HZ " 1 0 1 1 60.25 3402 + 3403 25 34.265000 -3.591000 3.325000 218 I A 2 "ILE " " N " 7 0 1 1 74.92 3403 + 3404 3 32.854000 -3.587000 3.736000 218 I A 2 "ILE " " CA " 6 0 1 1 66.35 3404 + 3405 2 32.264000 -2.164000 3.749000 218 I A 2 "ILE " " C " 6 0 1 1 75.4 3405 + 3406 15 31.171000 -1.972000 3.219000 218 I A 2 "ILE " " O " 8 0 1 1 80.45 3406 + 3407 3 32.618000 -4.265000 5.123000 218 I A 2 "ILE " " CB " 6 0 1 1 47.42 3407 + 3408 3 32.934000 -5.777000 5.064000 218 I A 2 "ILE " " CG1" 6 0 1 1 56.48 3408 + 3409 3 31.196000 -4.066000 5.705000 218 I A 2 "ILE " " CG2" 6 0 1 1 50.04 3409 + 3410 3 33.124000 -6.429000 6.445000 218 I A 2 "ILE " " CD1" 6 0 1 1 38.87 3410 + 3411 43 34.938000 -3.889000 4.019000 218 I A 2 "ILE " " H " 1 0 1 1 74.92 3411 + 3412 41 32.302000 -4.160000 2.988000 218 I A 2 "ILE " " HA " 1 0 1 1 66.35 3412 + 3413 41 33.321000 -3.815000 5.827000 218 I A 2 "ILE " " HB " 1 0 1 1 47.42 3413 + 3414 41 33.832000 -5.959000 4.475000 218 I A 2 "ILE " "HG13" 1 0 1 1 56.48 3414 + 3415 41 32.135000 -6.292000 4.530000 218 I A 2 "ILE " "HG12" 1 0 1 1 56.48 3415 + 3416 41 31.058000 -4.637000 6.621000 218 I A 2 "ILE " "HG21" 1 0 1 1 50.04 3416 + 3417 41 30.990000 -3.026000 5.963000 218 I A 2 "ILE " "HG22" 1 0 1 1 50.04 3417 + 3418 41 30.432000 -4.396000 5.000000 218 I A 2 "ILE " "HG23" 1 0 1 1 50.04 3418 + 3419 41 33.786000 -7.294000 6.376000 218 I A 2 "ILE " "HD11" 1 0 1 1 38.87 3419 + 3420 41 33.566000 -5.739000 7.163000 218 I A 2 "ILE " "HD12" 1 0 1 1 38.87 3420 + 3421 41 32.175000 -6.775000 6.855000 218 I A 2 "ILE " "HD13" 1 0 1 1 38.87 3421 + 3422 25 33.020000 -1.196000 4.296000 219 M A 2 "MET " " N " 7 0 1 1 64.72 3422 + 3423 3 32.652000 0.220000 4.332000 219 M A 2 "MET " " CA " 6 0 1 1 63.13 3423 + 3424 2 32.534000 0.863000 2.942000 219 M A 2 "MET " " C " 6 0 1 1 66.68 3424 + 3425 15 31.639000 1.685000 2.769000 219 M A 2 "MET " " O " 8 0 1 1 56.07 3425 + 3426 3 33.621000 1.004000 5.239000 219 M A 2 "MET " " CB " 6 0 1 1 58.61 3426 + 3427 3 33.530000 0.617000 6.726000 219 M A 2 "MET " " CG " 6 0 1 1 56.53 3427 + 3428 49 31.905000 0.808000 7.512000 219 M A 2 "MET " " SD " 16 0 1 1 59.1 3428 + 3429 3 31.707000 2.605000 7.431000 219 M A 2 "MET " " CE " 6 0 1 1 71.16 3429 + 3430 43 33.914000 -1.437000 4.706000 219 M A 2 "MET " " H " 1 0 1 1 64.72 3430 + 3431 41 31.653000 0.276000 4.767000 219 M A 2 "MET " " HA " 1 0 1 1 63.13 3431 + 3432 41 33.440000 2.075000 5.144000 219 M A 2 "MET " " HB3" 1 0 1 1 58.61 3432 + 3433 41 34.646000 0.852000 4.897000 219 M A 2 "MET " " HB2" 1 0 1 1 58.61 3433 + 3434 41 34.248000 1.200000 7.298000 219 M A 2 "MET " " HG3" 1 0 1 1 56.53 3434 + 3435 41 33.818000 -0.423000 6.862000 219 M A 2 "MET " " HG2" 1 0 1 1 56.53 3435 + 3436 41 30.815000 2.905000 7.981000 219 M A 2 "MET " " HE1" 1 0 1 1 71.16 3436 + 3437 41 32.567000 3.108000 7.873000 219 M A 2 "MET " " HE2" 1 0 1 1 71.16 3437 + 3438 41 31.602000 2.933000 6.397000 219 M A 2 "MET " " HE3" 1 0 1 1 71.16 3438 + 3439 25 33.366000 0.443000 1.970000 220 Q A 2 "GLN " " N " 7 0 1 1 60.58 3439 + 3440 3 33.223000 0.826000 0.561000 220 Q A 2 "GLN " " CA " 6 0 1 1 67.1 3440 + 3441 2 31.898000 0.360000 -0.056000 220 Q A 2 "GLN " " C " 6 0 1 1 60.83 3441 + 3442 15 31.156000 1.191000 -0.574000 220 Q A 2 "GLN " " O " 8 0 1 1 60 3442 + 3443 3 34.407000 0.315000 -0.283000 220 Q A 2 "GLN " " CB " 6 0 1 1 73.59 3443 + 3444 3 35.639000 1.228000 -0.235000 220 Q A 2 "GLN " " CG " 6 0 1 1 101.5 3444 + 3445 2 36.714000 0.753000 -1.211000 220 Q A 2 "GLN " " CD " 6 0 1 1 121.83 3445 + 3446 15 37.775000 0.292000 -0.797000 220 Q A 2 "GLN " " OE1" 8 0 1 1 132.28 3446 + 3447 25 36.439000 0.857000 -2.514000 220 Q A 2 "GLN " " NE2" 7 0 1 1 133.71 3447 + 3448 43 34.082000 -0.237000 2.180000 220 Q A 2 "GLN " " H " 1 0 1 1 60.58 3448 + 3449 41 33.221000 1.917000 0.520000 220 Q A 2 "GLN " " HA " 1 0 1 1 67.1 3449 + 3450 41 34.089000 0.228000 -1.324000 220 Q A 2 "GLN " " HB3" 1 0 1 1 73.59 3450 + 3451 41 34.687000 -0.693000 0.021000 220 Q A 2 "GLN " " HB2" 1 0 1 1 73.59 3451 + 3452 41 36.049000 1.266000 0.775000 220 Q A 2 "GLN " " HG3" 1 0 1 1 101.5 3452 + 3453 41 35.363000 2.250000 -0.498000 220 Q A 2 "GLN " " HG2" 1 0 1 1 101.5 3453 + 3454 43 37.118000 0.557000 -3.198000 220 Q A 2 "GLN " "HE22" 1 0 1 1 133.71 3454 + 3455 43 35.552000 1.231000 -2.825000 220 Q A 2 "GLN " "HE21" 1 0 1 1 133.71 3455 + 3456 25 31.631000 -0.952000 0.033000 221 V A 2 "VAL " " N " 7 0 1 1 60.8 3456 + 3457 3 30.449000 -1.607000 -0.526000 221 V A 2 "VAL " " CA " 6 0 1 1 59.03 3457 + 3458 2 29.122000 -1.092000 0.080000 221 V A 2 "VAL " " C " 6 0 1 1 56.08 3458 + 3459 15 28.154000 -0.927000 -0.663000 221 V A 2 "VAL " " O " 8 0 1 1 58.7 3459 + 3460 3 30.571000 -3.153000 -0.380000 221 V A 2 "VAL " " CB " 6 0 1 1 58.65 3460 + 3461 3 29.286000 -3.937000 -0.694000 221 V A 2 "VAL " " CG1" 6 0 1 1 59.07 3461 + 3462 3 31.714000 -3.692000 -1.260000 221 V A 2 "VAL " " CG2" 6 0 1 1 62.47 3462 + 3463 43 32.297000 -1.561000 0.491000 221 V A 2 "VAL " " H " 1 0 1 1 60.8 3463 + 3464 41 30.426000 -1.367000 -1.591000 221 V A 2 "VAL " " HA " 1 0 1 1 59.03 3464 + 3465 41 30.835000 -3.376000 0.655000 221 V A 2 "VAL " " HB " 1 0 1 1 58.65 3465 + 3466 41 29.468000 -5.010000 -0.725000 221 V A 2 "VAL " "HG11" 1 0 1 1 59.07 3466 + 3467 41 28.522000 -3.771000 0.066000 221 V A 2 "VAL " "HG12" 1 0 1 1 59.07 3467 + 3468 41 28.883000 -3.646000 -1.664000 221 V A 2 "VAL " "HG13" 1 0 1 1 59.07 3468 + 3469 41 31.863000 -4.761000 -1.113000 221 V A 2 "VAL " "HG21" 1 0 1 1 62.47 3469 + 3470 41 31.502000 -3.530000 -2.316000 221 V A 2 "VAL " "HG22" 1 0 1 1 62.47 3470 + 3471 41 32.664000 -3.207000 -1.043000 221 V A 2 "VAL " "HG23" 1 0 1 1 62.47 3471 + 3472 25 29.124000 -0.786000 1.390000 222 V A 2 "VAL " " N " 7 0 1 1 50.14 3472 + 3473 3 28.009000 -0.151000 2.093000 222 V A 2 "VAL " " CA " 6 0 1 1 43.77 3473 + 3474 2 27.800000 1.318000 1.666000 222 V A 2 "VAL " " C " 6 0 1 1 52.52 3474 + 3475 15 26.661000 1.683000 1.387000 222 V A 2 "VAL " " O " 8 0 1 1 63.59 3475 + 3476 3 28.170000 -0.242000 3.640000 222 V A 2 "VAL " " CB " 6 0 1 1 45.85 3476 + 3477 3 27.205000 0.647000 4.449000 222 V A 2 "VAL " " CG1" 6 0 1 1 45.27 3477 + 3478 3 28.004000 -1.694000 4.120000 222 V A 2 "VAL " " CG2" 6 0 1 1 49.84 3478 + 3479 43 29.953000 -0.967000 1.941000 222 V A 2 "VAL " " H " 1 0 1 1 50.14 3479 + 3480 41 27.102000 -0.696000 1.822000 222 V A 2 "VAL " " HA " 1 0 1 1 43.77 3480 + 3481 41 29.186000 0.067000 3.894000 222 V A 2 "VAL " " HB " 1 0 1 1 45.85 3481 + 3482 41 27.282000 0.444000 5.517000 222 V A 2 "VAL " "HG11" 1 0 1 1 45.27 3482 + 3483 41 27.419000 1.706000 4.308000 222 V A 2 "VAL " "HG12" 1 0 1 1 45.27 3483 + 3484 41 26.169000 0.469000 4.159000 222 V A 2 "VAL " "HG13" 1 0 1 1 45.27 3484 + 3485 41 28.215000 -1.787000 5.186000 222 V A 2 "VAL " "HG21" 1 0 1 1 49.84 3485 + 3486 41 26.984000 -2.038000 3.950000 222 V A 2 "VAL " "HG22" 1 0 1 1 49.84 3486 + 3487 41 28.667000 -2.381000 3.596000 222 V A 2 "VAL " "HG23" 1 0 1 1 49.84 3487 + 3488 25 28.880000 2.121000 1.593000 223 C A 2 "CYS " " N " 7 0 1 1 57.73 3488 + 3489 3 28.833000 3.535000 1.187000 223 C A 2 "CYS " " CA " 6 0 1 1 63.67 3489 + 3490 2 28.375000 3.724000 -0.270000 223 C A 2 "CYS " " C " 6 0 1 1 62.05 3490 + 3491 15 27.603000 4.643000 -0.534000 223 C A 2 "CYS " " O " 8 0 1 1 61.03 3491 + 3492 3 30.172000 4.268000 1.403000 223 C A 2 "CYS " " CB " 6 0 1 1 65.71 3492 + 3493 49 30.444000 4.569000 3.171000 223 C A 2 "CYS " " SG " 16 0 1 1 59.02 3493 + 3494 43 29.793000 1.757000 1.833000 223 C A 2 "CYS " " H " 1 0 1 1 57.73 3494 + 3495 41 28.082000 4.024000 1.811000 223 C A 2 "CYS " " HA " 1 0 1 1 63.67 3495 + 3496 41 30.174000 5.239000 0.906000 223 C A 2 "CYS " " HB3" 1 0 1 1 65.71 3496 + 3497 41 31.006000 3.698000 0.992000 223 C A 2 "CYS " " HB2" 1 0 1 1 65.71 3497 + 3498 41 30.727000 3.298000 3.476000 223 C A 2 "CYS " " HG " 1 0 1 1 59.02 3498 + 3499 25 28.815000 2.835000 -1.175000 224 E A 2 "GLU " " N " 7 0 1 1 60.02 3499 + 3500 3 28.388000 2.778000 -2.576000 224 E A 2 "GLU " " CA " 6 0 1 1 64.63 3500 + 3501 2 26.914000 2.363000 -2.751000 224 E A 2 "GLU " " C " 6 0 1 1 72.33 3501 + 3502 15 26.295000 2.785000 -3.729000 224 E A 2 "GLU " " O " 8 0 1 1 81.13 3502 + 3503 3 29.329000 1.833000 -3.348000 224 E A 2 "GLU " " CB " 6 0 1 1 73.21 3503 + 3504 3 30.728000 2.438000 -3.590000 224 E A 2 "GLU " " CG " 6 0 1 1 80.9 3504 + 3505 2 31.744000 1.437000 -4.153000 224 E A 2 "GLU " " CD " 6 0 1 1 88.12 3505 + 3506 15 31.323000 0.507000 -4.878000 224 E A 2 "GLU " " OE1" 8 0 1 1 85.92 3506 + 3507 18 32.942000 1.618000 -3.844000 224 E A 2 "GLU " " OE2" 8 -1 1 1 97.62 3507 + 3508 43 29.472000 2.120000 -0.887000 224 E A 2 "GLU " " H " 1 0 1 1 60.02 3508 + 3509 41 28.483000 3.779000 -3.001000 224 E A 2 "GLU " " HA " 1 0 1 1 64.63 3509 + 3510 41 28.885000 1.577000 -4.309000 224 E A 2 "GLU " " HB3" 1 0 1 1 73.21 3510 + 3511 41 29.423000 0.891000 -2.805000 224 E A 2 "GLU " " HB2" 1 0 1 1 73.21 3511 + 3512 41 31.129000 2.845000 -2.661000 224 E A 2 "GLU " " HG3" 1 0 1 1 80.9 3512 + 3513 41 30.654000 3.276000 -4.283000 224 E A 2 "GLU " " HG2" 1 0 1 1 80.9 3513 + 3514 25 26.369000 1.581000 -1.800000 225 A A 2 "ALA " " N " 7 0 1 1 61.98 3514 + 3515 3 24.956000 1.198000 -1.757000 225 A A 2 "ALA " " CA " 6 0 1 1 57.72 3515 + 3516 2 24.026000 2.337000 -1.292000 225 A A 2 "ALA " " C " 6 0 1 1 66.16 3516 + 3517 15 22.852000 2.310000 -1.655000 225 A A 2 "ALA " " O " 8 0 1 1 74.17 3517 + 3518 3 24.785000 -0.065000 -0.899000 225 A A 2 "ALA " " CB " 6 0 1 1 54.97 3518 + 3519 43 26.940000 1.259000 -1.031000 225 A A 2 "ALA " " H " 1 0 1 1 61.98 3519 + 3520 41 24.651000 0.936000 -2.772000 225 A A 2 "ALA " " HA " 1 0 1 1 57.72 3520 + 3521 41 23.748000 -0.404000 -0.899000 225 A A 2 "ALA " " HB1" 1 0 1 1 54.97 3521 + 3522 41 25.390000 -0.886000 -1.286000 225 A A 2 "ALA " " HB2" 1 0 1 1 54.97 3522 + 3523 41 25.076000 0.097000 0.137000 225 A A 2 "ALA " " HB3" 1 0 1 1 54.97 3523 + 3524 25 24.551000 3.345000 -0.563000 226 T A 2 "THR " " N " 7 0 0 1 68.56 3524 + 3525 3 23.817000 4.580000 -0.235000 226 T A 2 "THR " " CA " 6 0 0 1 64.06 3525 + 3526 2 23.681000 5.552000 -1.434000 226 T A 2 "THR " " C " 6 0 0 1 65.33 3526 + 3527 15 23.020000 6.580000 -1.297000 226 T A 2 "THR " " O " 8 0 0 1 72.75 3527 + 3528 3 24.426000 5.369000 0.961000 226 T A 2 "THR " " CB " 6 0 0 1 56.91 3528 + 3529 16 25.567000 6.139000 0.632000 226 T A 2 "THR " " OG1" 8 0 0 1 56.15 3529 + 3530 3 24.721000 4.528000 2.202000 226 T A 2 "THR " " CG2" 6 0 0 1 61.55 3530 + 3531 43 25.521000 3.308000 -0.283000 226 T A 2 "THR " " H " 1 0 0 1 68.56 3531 + 3532 41 22.810000 4.286000 0.060000 226 T A 2 "THR " " HA " 1 0 0 1 64.06 3532 + 3533 41 23.677000 6.100000 1.273000 226 T A 2 "THR " " HB " 1 0 0 1 56.91 3533 + 3534 42 26.282000 5.542000 0.387000 226 T A 2 "THR " " HG1" 1 0 0 1 56.15 3534 + 3535 41 25.082000 5.163000 3.007000 226 T A 2 "THR " "HG21" 1 0 0 1 61.55 3535 + 3536 41 23.820000 4.034000 2.561000 226 T A 2 "THR " "HG22" 1 0 0 1 61.55 3536 + 3537 41 25.481000 3.775000 2.017000 226 T A 2 "THR " "HG23" 1 0 0 1 61.55 3537 + 3538 25 24.296000 5.220000 -2.580000 227 Q A 2 "GLN " " N " 7 0 0 1 64 3538 + 3539 3 24.198000 5.980000 -3.826000 227 Q A 2 "GLN " " CA " 6 0 0 1 64.8 3539 + 3540 2 23.239000 5.312000 -4.827000 227 Q A 2 "GLN " " C " 6 0 0 1 65.71 3540 + 3541 15 22.933000 5.931000 -5.845000 227 Q A 2 "GLN " " O " 8 0 0 1 73.04 3541 + 3542 3 25.610000 6.123000 -4.439000 227 Q A 2 "GLN " " CB " 6 0 0 1 64.4 3542 + 3543 3 26.674000 6.718000 -3.491000 227 Q A 2 "GLN " " CG " 6 0 0 1 66.98 3543 + 3544 2 26.276000 8.076000 -2.906000 227 Q A 2 "GLN " " CD " 6 0 0 1 68.3 3544 + 3545 15 26.025000 9.021000 -3.649000 227 Q A 2 "GLN " " OE1" 8 0 0 1 77.46 3545 + 3546 25 26.221000 8.187000 -1.577000 227 Q A 2 "GLN " " NE2" 7 0 0 1 68.65 3546 + 3547 43 24.849000 4.375000 -2.617000 227 Q A 2 "GLN " " H " 1 0 0 1 64 3547 + 3548 41 23.798000 6.978000 -3.637000 227 Q A 2 "GLN " " HA " 1 0 0 1 64.8 3548 + 3549 41 25.548000 6.751000 -5.330000 227 Q A 2 "GLN " " HB3" 1 0 0 1 64.4 3549 + 3550 41 25.964000 5.154000 -4.790000 227 Q A 2 "GLN " " HB2" 1 0 0 1 64.4 3550 + 3551 41 27.613000 6.842000 -4.031000 227 Q A 2 "GLN " " HG3" 1 0 0 1 66.98 3551 + 3552 41 26.886000 6.018000 -2.683000 227 Q A 2 "GLN " " HG2" 1 0 0 1 66.98 3552 + 3553 43 25.963000 9.069000 -1.159000 227 Q A 2 "GLN " "HE22" 1 0 0 1 68.65 3553 + 3554 43 26.397000 7.391000 -0.979000 227 Q A 2 "GLN " "HE21" 1 0 0 1 68.65 3554 + 3555 25 22.783000 4.078000 -4.532000 228 C A 2 "CYS " " N " 7 0 0 1 66.67 3555 + 3556 3 21.862000 3.285000 -5.347000 228 C A 2 "CYS " " CA " 6 0 0 1 64.12 3556 + 3557 2 20.524000 4.040000 -5.548000 228 C A 2 "CYS " " C " 6 0 0 1 68.93 3557 + 3558 15 19.897000 4.380000 -4.543000 228 C A 2 "CYS " " O " 8 0 0 1 67.35 3558 + 3559 3 21.625000 1.912000 -4.682000 228 C A 2 "CYS " " CB " 6 0 0 1 61.22 3559 + 3560 49 20.577000 0.838000 -5.705000 228 C A 2 "CYS " " SG " 16 0 0 1 77.56 3560 + 3561 43 23.059000 3.658000 -3.655000 228 C A 2 "CYS " " H " 1 0 0 1 66.67 3561 + 3562 41 22.383000 3.111000 -6.286000 228 C A 2 "CYS " " HA " 1 0 0 1 64.12 3562 + 3563 41 21.149000 2.033000 -3.708000 228 C A 2 "CYS " " HB3" 1 0 0 1 61.22 3563 + 3564 41 22.574000 1.402000 -4.510000 228 C A 2 "CYS " " HB2" 1 0 0 1 61.22 3564 + 3565 41 21.475000 0.626000 -6.670000 228 C A 2 "CYS " " HG " 1 0 0 1 77.56 3565 + 3566 25 20.125000 4.320000 -6.814000 229 P A 2 "PRO " " N " 7 0 0 1 66.56 3566 + 3567 3 18.927000 5.131000 -7.110000 229 P A 2 "PRO " " CA " 6 0 0 1 60.14 3567 + 3568 2 17.582000 4.496000 -6.705000 229 P A 2 "PRO " " C " 6 0 0 1 61.38 3568 + 3569 15 16.596000 5.225000 -6.602000 229 P A 2 "PRO " " O " 8 0 0 1 57.66 3569 + 3570 3 19.017000 5.384000 -8.622000 229 P A 2 "PRO " " CB " 6 0 0 1 66.18 3570 + 3571 3 19.778000 4.185000 -9.159000 229 P A 2 "PRO " " CG " 6 0 0 1 67.22 3571 + 3572 3 20.783000 3.893000 -8.052000 229 P A 2 "PRO " " CD " 6 0 0 1 71.66 3572 + 3573 41 19.000000 6.085000 -6.585000 229 P A 2 "PRO " " HA " 1 0 0 1 60.14 3573 + 3574 41 19.592000 6.293000 -8.801000 229 P A 2 "PRO " " HB3" 1 0 0 1 66.18 3574 + 3575 41 18.049000 5.512000 -9.109000 229 P A 2 "PRO " " HB2" 1 0 0 1 66.18 3575 + 3576 41 20.243000 4.363000 -10.129000 229 P A 2 "PRO " " HG3" 1 0 0 1 67.22 3576 + 3577 41 19.096000 3.340000 -9.263000 229 P A 2 "PRO " " HG2" 1 0 0 1 67.22 3577 + 3578 41 21.053000 2.837000 -8.053000 229 P A 2 "PRO " " HD2" 1 0 0 1 71.66 3578 + 3579 41 21.689000 4.485000 -8.190000 229 P A 2 "PRO " " HD3" 1 0 0 1 71.66 3579 + 3580 25 17.571000 3.177000 -6.434000 230 D A 2 "ASP " " N " 7 0 0 1 58.64 3580 + 3581 3 16.481000 2.484000 -5.754000 230 D A 2 "ASP " " CA " 6 0 0 1 59.51 3581 + 3582 2 16.541000 2.883000 -4.268000 230 D A 2 "ASP " " C " 6 0 0 1 60.18 3582 + 3583 15 17.459000 2.462000 -3.563000 230 D A 2 "ASP " " O " 8 0 0 1 57.62 3583 + 3584 3 16.580000 0.954000 -5.976000 230 D A 2 "ASP " " CB " 6 0 0 1 68.23 3584 + 3585 2 15.347000 0.142000 -5.550000 230 D A 2 "ASP " " CG " 6 0 0 1 72.71 3585 + 3586 15 14.662000 0.533000 -4.579000 230 D A 2 "ASP " " OD1" 8 0 0 1 59.49 3586 + 3587 18 15.143000 -0.923000 -6.172000 230 D A 2 "ASP " " OD2" 8 -1 0 1 74.41 3587 + 3588 43 18.421000 2.645000 -6.549000 230 D A 2 "ASP " " H " 1 0 0 1 58.64 3588 + 3589 41 15.534000 2.825000 -6.179000 230 D A 2 "ASP " " HA " 1 0 0 1 59.51 3589 + 3590 41 17.455000 0.545000 -5.470000 230 D A 2 "ASP " " HB3" 1 0 0 1 68.23 3590 + 3591 41 16.728000 0.785000 -7.044000 230 D A 2 "ASP " " HB2" 1 0 0 1 68.23 3591 + 3592 25 15.568000 3.709000 -3.843000 231 T A 2 "THR " " N " 7 0 1 1 55.8 3592 + 3593 3 15.437000 4.265000 -2.491000 231 T A 2 "THR " " CA " 6 0 1 1 51.67 3593 + 3594 2 15.402000 3.198000 -1.382000 231 T A 2 "THR " " C " 6 0 1 1 57.82 3594 + 3595 15 15.943000 3.455000 -0.310000 231 T A 2 "THR " " O " 8 0 1 1 74.07 3595 + 3596 3 14.147000 5.124000 -2.372000 231 T A 2 "THR " " CB " 6 0 1 1 55.5 3596 + 3597 16 14.291000 6.264000 -3.196000 231 T A 2 "THR " " OG1" 8 0 1 1 51.08 3597 + 3598 3 13.745000 5.613000 -0.964000 231 T A 2 "THR " " CG2" 6 0 1 1 41.33 3598 + 3599 43 14.872000 4.023000 -4.505000 231 T A 2 "THR " " H " 1 0 1 1 55.8 3599 + 3600 41 16.306000 4.903000 -2.319000 231 T A 2 "THR " " HA " 1 0 1 1 51.67 3600 + 3601 41 13.308000 4.552000 -2.773000 231 T A 2 "THR " " HB " 1 0 1 1 55.5 3601 + 3602 42 13.531000 6.836000 -3.063000 231 T A 2 "THR " " HG1" 1 0 1 1 51.08 3602 + 3603 41 12.882000 6.276000 -1.019000 231 T A 2 "THR " "HG21" 1 0 1 1 41.33 3603 + 3604 41 13.460000 4.794000 -0.303000 231 T A 2 "THR " "HG22" 1 0 1 1 41.33 3604 + 3605 41 14.558000 6.163000 -0.487000 231 T A 2 "THR " "HG23" 1 0 1 1 41.33 3605 + 3606 25 14.820000 2.019000 -1.668000 232 R A 2 "ARG " " N " 7 0 1 1 55.64 3606 + 3607 3 14.759000 0.881000 -0.748000 232 R A 2 "ARG " " CA " 6 0 1 1 54.45 3607 + 3608 2 16.153000 0.361000 -0.354000 232 R A 2 "ARG " " C " 6 0 1 1 56.34 3608 + 3609 15 16.362000 0.040000 0.815000 232 R A 2 "ARG " " O " 8 0 1 1 58.11 3609 + 3610 3 13.933000 -0.271000 -1.353000 232 R A 2 "ARG " " CB " 6 0 1 1 69.3 3610 + 3611 3 12.557000 0.120000 -1.927000 232 R A 2 "ARG " " CG " 6 0 1 1 70.95 3611 + 3612 3 11.861000 -1.064000 -2.615000 232 R A 2 "ARG " " CD " 6 0 1 1 57.4 3612 + 3613 25 12.591000 -1.475000 -3.824000 232 R A 2 "ARG " " NE " 7 0 1 1 60.66 3613 + 3614 2 12.460000 -2.640000 -4.477000 232 R A 2 "ARG " " CZ " 6 0 1 1 71.85 3614 + 3615 25 11.571000 -3.566000 -4.087000 232 R A 2 "ARG " " NH1" 7 0 1 1 81.11 3615 + 3616 31 13.245000 -2.877000 -5.534000 232 R A 2 "ARG " " NH2" 7 1 1 1 81.16 3616 + 3617 43 14.446000 1.863000 -2.595000 232 R A 2 "ARG " " H " 1 0 1 1 55.64 3617 + 3618 41 14.260000 1.219000 0.162000 232 R A 2 "ARG " " HA " 1 0 1 1 54.45 3618 + 3619 41 13.785000 -1.031000 -0.585000 232 R A 2 "ARG " " HB3" 1 0 1 1 69.3 3619 + 3620 41 14.521000 -0.748000 -2.138000 232 R A 2 "ARG " " HB2" 1 0 1 1 69.3 3620 + 3621 41 12.717000 0.881000 -2.690000 232 R A 2 "ARG " " HG3" 1 0 1 1 70.95 3621 + 3622 41 11.906000 0.578000 -1.182000 232 R A 2 "ARG " " HG2" 1 0 1 1 70.95 3622 + 3623 41 10.799000 -0.890000 -2.787000 232 R A 2 "ARG " " HD3" 1 0 1 1 57.4 3623 + 3624 41 11.929000 -1.917000 -1.939000 232 R A 2 "ARG " " HD2" 1 0 1 1 57.4 3624 + 3625 43 13.265000 -0.801000 -4.179000 232 R A 2 "ARG " " HE " 1 0 1 1 60.66 3625 + 3626 43 11.482000 -4.440000 -4.583000 232 R A 2 "ARG " "HH12" 1 0 1 1 81.11 3626 + 3627 43 10.981000 -3.386000 -3.288000 232 R A 2 "ARG " "HH11" 1 0 1 1 81.11 3627 + 3628 44 13.197000 -3.747000 -6.042000 232 R A 2 "ARG " "HH22" 1 0 1 1 81.16 3628 + 3629 44 13.932000 -2.177000 -5.816000 232 R A 2 "ARG " "HH21" 1 0 1 1 81.16 3629 + 3630 25 17.081000 0.328000 -1.330000 233 V A 2 "VAL " " N " 7 0 1 1 55.19 3630 + 3631 3 18.490000 -0.002000 -1.116000 233 V A 2 "VAL " " CA " 6 0 1 1 53.25 3631 + 3632 2 19.213000 1.129000 -0.366000 233 V A 2 "VAL " " C " 6 0 1 1 57.43 3632 + 3633 15 19.999000 0.820000 0.525000 233 V A 2 "VAL " " O " 8 0 1 1 45.66 3633 + 3634 3 19.262000 -0.264000 -2.443000 233 V A 2 "VAL " " CB " 6 0 1 1 45.32 3634 + 3635 3 20.753000 -0.619000 -2.236000 233 V A 2 "VAL " " CG1" 6 0 1 1 41.72 3635 + 3636 3 18.607000 -1.370000 -3.282000 233 V A 2 "VAL " " CG2" 6 0 1 1 47.5 3636 + 3637 43 16.831000 0.624000 -2.264000 233 V A 2 "VAL " " H " 1 0 1 1 55.19 3637 + 3638 41 18.547000 -0.902000 -0.502000 233 V A 2 "VAL " " HA " 1 0 1 1 53.25 3638 + 3639 41 19.229000 0.644000 -3.043000 233 V A 2 "VAL " " HB " 1 0 1 1 45.32 3639 + 3640 41 21.231000 -0.888000 -3.178000 233 V A 2 "VAL " "HG11" 1 0 1 1 41.72 3640 + 3641 41 21.325000 0.208000 -1.822000 233 V A 2 "VAL " "HG12" 1 0 1 1 41.72 3641 + 3642 41 20.864000 -1.470000 -1.562000 233 V A 2 "VAL " "HG13" 1 0 1 1 41.72 3642 + 3643 41 19.122000 -1.507000 -4.234000 233 V A 2 "VAL " "HG21" 1 0 1 1 47.5 3643 + 3644 41 18.648000 -2.318000 -2.754000 233 V A 2 "VAL " "HG22" 1 0 1 1 47.5 3644 + 3645 41 17.563000 -1.153000 -3.510000 233 V A 2 "VAL " "HG23" 1 0 1 1 47.5 3645 + 3646 25 18.925000 2.400000 -0.712000 234 R A 2 "ARG " " N " 7 0 1 1 60.51 3646 + 3647 3 19.540000 3.570000 -0.081000 234 R A 2 "ARG " " CA " 6 0 1 1 61.89 3647 + 3648 2 19.216000 3.695000 1.418000 234 R A 2 "ARG " " C " 6 0 1 1 62.04 3648 + 3649 15 20.118000 4.009000 2.193000 234 R A 2 "ARG " " O " 8 0 1 1 68.43 3649 + 3650 3 19.223000 4.861000 -0.871000 234 R A 2 "ARG " " CB " 6 0 1 1 60.76 3650 + 3651 3 20.116000 6.040000 -0.433000 234 R A 2 "ARG " " CG " 6 0 1 1 65.07 3651 + 3652 3 19.533000 7.039000 0.573000 234 R A 2 "ARG " " CD " 6 0 1 1 63.25 3652 + 3653 25 18.775000 8.122000 -0.066000 234 R A 2 "ARG " " NE " 7 0 1 1 65.76 3653 + 3654 2 19.296000 9.307000 -0.439000 234 R A 2 "ARG " " CZ " 6 0 1 1 57.59 3654 + 3655 25 20.605000 9.574000 -0.310000 234 R A 2 "ARG " " NH1" 7 0 1 1 59.87 3655 + 3656 31 18.494000 10.251000 -0.946000 234 R A 2 "ARG " " NH2" 7 1 1 1 62.7 3656 + 3657 43 18.266000 2.580000 -1.457000 234 R A 2 "ARG " " H " 1 0 1 1 60.51 3657 + 3658 41 20.617000 3.405000 -0.154000 234 R A 2 "ARG " " HA " 1 0 1 1 61.89 3658 + 3659 41 18.167000 5.126000 -0.829000 234 R A 2 "ARG " " HB3" 1 0 1 1 60.76 3659 + 3660 41 19.439000 4.655000 -1.920000 234 R A 2 "ARG " " HB2" 1 0 1 1 60.76 3660 + 3661 41 20.319000 6.609000 -1.342000 234 R A 2 "ARG " " HG3" 1 0 1 1 65.07 3661 + 3662 41 21.079000 5.686000 -0.082000 234 R A 2 "ARG " " HG2" 1 0 1 1 65.07 3662 + 3663 41 20.272000 7.397000 1.288000 234 R A 2 "ARG " " HD3" 1 0 1 1 63.25 3663 + 3664 41 18.778000 6.514000 1.157000 234 R A 2 "ARG " " HD2" 1 0 1 1 63.25 3664 + 3665 43 17.798000 7.941000 -0.243000 234 R A 2 "ARG " " HE " 1 0 1 1 65.76 3665 + 3666 43 20.975000 10.477000 -0.580000 234 R A 2 "ARG " "HH12" 1 0 1 1 59.87 3666 + 3667 43 21.235000 8.871000 0.048000 234 R A 2 "ARG " "HH11" 1 0 1 1 59.87 3667 + 3668 44 18.877000 11.146000 -1.218000 234 R A 2 "ARG " "HH22" 1 0 1 1 62.7 3668 + 3669 44 17.501000 10.092000 -1.036000 234 R A 2 "ARG " "HH21" 1 0 1 1 62.7 3669 + 3670 25 17.963000 3.394000 1.799000 235 V A 2 "VAL " " N " 7 0 1 1 56.85 3670 + 3671 3 17.514000 3.312000 3.189000 235 V A 2 "VAL " " CA " 6 0 1 1 62.24 3671 + 3672 2 18.200000 2.157000 3.942000 235 V A 2 "VAL " " C " 6 0 1 1 64.41 3672 + 3673 15 18.738000 2.401000 5.019000 235 V A 2 "VAL " " O " 8 0 1 1 72.43 3673 + 3674 3 15.966000 3.166000 3.289000 235 V A 2 "VAL " " CB " 6 0 1 1 65.63 3674 + 3675 3 15.432000 2.782000 4.689000 235 V A 2 "VAL " " CG1" 6 0 1 1 61.77 3675 + 3676 3 15.270000 4.459000 2.828000 235 V A 2 "VAL " " CG2" 6 0 1 1 69.85 3676 + 3677 43 17.274000 3.162000 1.095000 235 V A 2 "VAL " " H " 1 0 1 1 56.85 3677 + 3678 41 17.800000 4.243000 3.682000 235 V A 2 "VAL " " HA " 1 0 1 1 62.24 3678 + 3679 41 15.657000 2.378000 2.600000 235 V A 2 "VAL " " HB " 1 0 1 1 65.63 3679 + 3680 41 14.342000 2.817000 4.714000 235 V A 2 "VAL " "HG11" 1 0 1 1 61.77 3680 + 3681 41 15.716000 1.771000 4.980000 235 V A 2 "VAL " "HG12" 1 0 1 1 61.77 3681 + 3682 41 15.798000 3.469000 5.453000 235 V A 2 "VAL " "HG13" 1 0 1 1 61.77 3682 + 3683 41 14.189000 4.329000 2.777000 235 V A 2 "VAL " "HG21" 1 0 1 1 69.85 3683 + 3684 41 15.476000 5.280000 3.516000 235 V A 2 "VAL " "HG22" 1 0 1 1 69.85 3684 + 3685 41 15.602000 4.778000 1.842000 235 V A 2 "VAL " "HG23" 1 0 1 1 69.85 3685 + 3686 25 18.212000 0.948000 3.350000 236 A A 2 "ALA " " N " 7 0 1 1 63.03 3686 + 3687 3 18.857000 -0.242000 3.913000 236 A A 2 "ALA " " CA " 6 0 1 1 59.82 3687 + 3688 2 20.381000 -0.105000 4.084000 236 A A 2 "ALA " " C " 6 0 1 1 60.14 3688 + 3689 15 20.933000 -0.644000 5.041000 236 A A 2 "ALA " " O " 8 0 1 1 56.68 3689 + 3690 3 18.490000 -1.470000 3.067000 236 A A 2 "ALA " " CB " 6 0 1 1 53.43 3690 + 3691 43 17.752000 0.824000 2.458000 236 A A 2 "ALA " " H " 1 0 1 1 63.03 3691 + 3692 41 18.444000 -0.394000 4.906000 236 A A 2 "ALA " " HA " 1 0 1 1 59.82 3692 + 3693 41 18.863000 -2.390000 3.518000 236 A A 2 "ALA " " HB1" 1 0 1 1 53.43 3693 + 3694 41 17.409000 -1.576000 2.977000 236 A A 2 "ALA " " HB2" 1 0 1 1 53.43 3694 + 3695 41 18.900000 -1.401000 2.058000 236 A A 2 "ALA " " HB3" 1 0 1 1 53.43 3695 + 3696 25 21.034000 0.628000 3.171000 237 A A 2 "ALA " " N " 7 0 1 1 62.8 3696 + 3697 3 22.463000 0.926000 3.214000 237 A A 2 "ALA " " CA " 6 0 1 1 59.48 3697 + 3698 2 22.820000 1.917000 4.333000 237 A A 2 "ALA " " C " 6 0 1 1 58.04 3698 + 3699 15 23.856000 1.742000 4.973000 237 A A 2 "ALA " " O " 8 0 1 1 59.08 3699 + 3700 3 22.899000 1.447000 1.843000 237 A A 2 "ALA " " CB " 6 0 1 1 58.72 3700 + 3701 43 20.523000 1.008000 2.384000 237 A A 2 "ALA " " H " 1 0 1 1 62.8 3701 + 3702 41 23.003000 -0.003000 3.407000 237 A A 2 "ALA " " HA " 1 0 1 1 59.48 3702 + 3703 41 23.967000 1.660000 1.825000 237 A A 2 "ALA " " HB1" 1 0 1 1 58.72 3703 + 3704 41 22.703000 0.706000 1.068000 237 A A 2 "ALA " " HB2" 1 0 1 1 58.72 3704 + 3705 41 22.366000 2.358000 1.568000 237 A A 2 "ALA " " HB3" 1 0 1 1 58.72 3705 + 3706 25 21.933000 2.897000 4.586000 238 L A 2 "LEU " " N " 7 0 1 1 53.62 3706 + 3707 3 22.022000 3.812000 5.724000 238 L A 2 "LEU " " CA " 6 0 1 1 52.84 3707 + 3708 2 21.721000 3.115000 7.064000 238 L A 2 "LEU " " C " 6 0 1 1 57.19 3708 + 3709 15 22.356000 3.476000 8.052000 238 L A 2 "LEU " " O " 8 0 1 1 58.4 3709 + 3710 3 21.082000 5.020000 5.521000 238 L A 2 "LEU " " CB " 6 0 1 1 47.25 3710 + 3711 3 21.515000 6.016000 4.427000 238 L A 2 "LEU " " CG " 6 0 1 1 44.72 3711 + 3712 3 20.361000 6.980000 4.108000 238 L A 2 "LEU " " CD1" 6 0 1 1 42.18 3712 + 3713 3 22.796000 6.786000 4.802000 238 L A 2 "LEU " " CD2" 6 0 1 1 47.96 3713 + 3714 43 21.107000 2.983000 4.009000 238 L A 2 "LEU " " H " 1 0 1 1 53.62 3714 + 3715 41 23.049000 4.176000 5.779000 238 L A 2 "LEU " " HA " 1 0 1 1 52.84 3715 + 3716 41 20.981000 5.572000 6.457000 238 L A 2 "LEU " " HB3" 1 0 1 1 47.25 3716 + 3717 41 20.084000 4.651000 5.285000 238 L A 2 "LEU " " HB2" 1 0 1 1 47.25 3717 + 3718 41 21.733000 5.462000 3.516000 238 L A 2 "LEU " " HG " 1 0 1 1 44.72 3718 + 3719 41 20.706000 7.845000 3.542000 238 L A 2 "LEU " "HD11" 1 0 1 1 42.18 3719 + 3720 41 19.592000 6.482000 3.518000 238 L A 2 "LEU " "HD12" 1 0 1 1 42.18 3720 + 3721 41 19.886000 7.355000 5.014000 238 L A 2 "LEU " "HD13" 1 0 1 1 42.18 3721 + 3722 41 22.646000 7.866000 4.806000 238 L A 2 "LEU " "HD21" 1 0 1 1 47.96 3722 + 3723 41 23.166000 6.518000 5.792000 238 L A 2 "LEU " "HD22" 1 0 1 1 47.96 3723 + 3724 41 23.591000 6.575000 4.089000 238 L A 2 "LEU " "HD23" 1 0 1 1 47.96 3724 + 3725 25 20.815000 2.114000 7.082000 239 Q A 2 "GLN " " N " 7 0 1 1 53.16 3725 + 3726 3 20.540000 1.262000 8.249000 239 Q A 2 "GLN " " CA " 6 0 1 1 57.94 3726 + 3727 2 21.781000 0.500000 8.745000 239 Q A 2 "GLN " " C " 6 0 1 1 54.18 3727 + 3728 15 21.962000 0.376000 9.956000 239 Q A 2 "GLN " " O " 8 0 1 1 45.71 3728 + 3729 3 19.383000 0.271000 7.972000 239 Q A 2 "GLN " " CB " 6 0 1 1 61.38 3729 + 3730 3 17.979000 0.891000 8.028000 239 Q A 2 "GLN " " CG " 6 0 1 1 70.29 3730 + 3731 2 16.874000 -0.131000 7.754000 239 Q A 2 "GLN " " CD " 6 0 1 1 67.25 3731 + 3732 15 16.730000 -0.625000 6.639000 239 Q A 2 "GLN " " OE1" 8 0 1 1 52.66 3732 + 3733 25 16.071000 -0.444000 8.771000 239 Q A 2 "GLN " " NE2" 7 0 1 1 78.95 3733 + 3734 43 20.303000 1.894000 6.238000 239 Q A 2 "GLN " " H " 1 0 1 1 53.16 3734 + 3735 41 20.230000 1.923000 9.060000 239 Q A 2 "GLN " " HA " 1 0 1 1 57.94 3735 + 3736 41 19.411000 -0.526000 8.716000 239 Q A 2 "GLN " " HB3" 1 0 1 1 61.38 3736 + 3737 41 19.530000 -0.224000 7.016000 239 Q A 2 "GLN " " HB2" 1 0 1 1 61.38 3737 + 3738 41 17.885000 1.706000 7.314000 239 Q A 2 "GLN " " HG3" 1 0 1 1 70.29 3738 + 3739 41 17.822000 1.316000 9.018000 239 Q A 2 "GLN " " HG2" 1 0 1 1 70.29 3739 + 3740 43 15.324000 -1.109000 8.635000 239 Q A 2 "GLN " "HE22" 1 0 1 1 78.95 3740 + 3741 43 16.203000 -0.024000 9.680000 239 Q A 2 "GLN " "HE21" 1 0 1 1 78.95 3741 + 3742 25 22.624000 0.034000 7.806000 240 N A 2 "ASN " " N " 7 0 1 1 48.15 3742 + 3743 3 23.914000 -0.593000 8.097000 240 N A 2 "ASN " " CA " 6 0 1 1 54.87 3743 + 3744 2 24.927000 0.408000 8.661000 240 N A 2 "ASN " " C " 6 0 1 1 59.44 3744 + 3745 15 25.584000 0.053000 9.633000 240 N A 2 "ASN " " O " 8 0 1 1 56.41 3745 + 3746 3 24.450000 -1.308000 6.839000 240 N A 2 "ASN " " CB " 6 0 1 1 53.2 3746 + 3747 2 23.811000 -2.682000 6.654000 240 N A 2 "ASN " " CG " 6 0 1 1 54.32 3747 + 3748 15 24.242000 -3.643000 7.282000 240 N A 2 "ASN " " OD1" 8 0 1 1 58.95 3748 + 3749 25 22.788000 -2.787000 5.808000 240 N A 2 "ASN " " ND2" 7 0 1 1 54.21 3749 + 3750 43 22.399000 0.168000 6.830000 240 N A 2 "ASN " " H " 1 0 1 1 48.15 3750 + 3751 41 23.697000 -1.344000 8.861000 240 N A 2 "ASN " " HA " 1 0 1 1 54.87 3751 + 3752 41 25.521000 -1.490000 6.946000 240 N A 2 "ASN " " HB3" 1 0 1 1 53.2 3752 + 3753 41 24.340000 -0.695000 5.944000 240 N A 2 "ASN " " HB2" 1 0 1 1 53.2 3753 + 3754 43 22.354000 -3.687000 5.644000 240 N A 2 "ASN " "HD22" 1 0 1 1 54.21 3754 + 3755 43 22.416000 -1.972000 5.339000 240 N A 2 "ASN " "HD21" 1 0 1 1 54.21 3755 + 3756 25 25.009000 1.633000 8.106000 241 L A 2 "LEU " " N " 7 0 1 1 60.5 3756 + 3757 3 25.874000 2.702000 8.627000 241 L A 2 "LEU " " CA " 6 0 1 1 59.54 3757 + 3758 2 25.515000 3.133000 10.058000 241 L A 2 "LEU " " C " 6 0 1 1 60.09 3758 + 3759 15 26.427000 3.374000 10.845000 241 L A 2 "LEU " " O " 8 0 1 1 63.12 3759 + 3760 3 25.870000 3.924000 7.683000 241 L A 2 "LEU " " CB " 6 0 1 1 58.95 3760 + 3761 3 26.616000 3.689000 6.357000 241 L A 2 "LEU " " CG " 6 0 1 1 62.22 3761 + 3762 3 26.454000 4.892000 5.419000 241 L A 2 "LEU " " CD1" 6 0 1 1 67.8 3762 + 3763 3 28.105000 3.359000 6.571000 241 L A 2 "LEU " " CD2" 6 0 1 1 65.68 3763 + 3764 43 24.433000 1.864000 7.308000 241 L A 2 "LEU " " H " 1 0 1 1 60.5 3764 + 3765 41 26.886000 2.297000 8.680000 241 L A 2 "LEU " " HA " 1 0 1 1 59.54 3765 + 3766 41 26.334000 4.777000 8.183000 241 L A 2 "LEU " " HB3" 1 0 1 1 58.95 3766 + 3767 41 24.842000 4.227000 7.483000 241 L A 2 "LEU " " HB2" 1 0 1 1 58.95 3767 + 3768 41 26.145000 2.843000 5.861000 241 L A 2 "LEU " " HG " 1 0 1 1 62.22 3768 + 3769 41 26.826000 4.658000 4.421000 241 L A 2 "LEU " "HD11" 1 0 1 1 67.8 3769 + 3770 41 25.408000 5.184000 5.330000 241 L A 2 "LEU " "HD12" 1 0 1 1 67.8 3770 + 3771 41 27.006000 5.760000 5.781000 241 L A 2 "LEU " "HD13" 1 0 1 1 67.8 3771 + 3772 41 28.720000 3.742000 5.757000 241 L A 2 "LEU " "HD21" 1 0 1 1 65.68 3772 + 3773 41 28.482000 3.783000 7.502000 241 L A 2 "LEU " "HD22" 1 0 1 1 65.68 3773 + 3774 41 28.270000 2.284000 6.616000 241 L A 2 "LEU " "HD23" 1 0 1 1 65.68 3774 + 3775 25 24.210000 3.169000 10.374000 242 V A 2 "VAL " " N " 7 0 1 1 50.93 3775 + 3776 3 23.654000 3.402000 11.708000 242 V A 2 "VAL " " CA " 6 0 1 1 43.62 3776 + 3777 2 24.080000 2.320000 12.722000 242 V A 2 "VAL " " C " 6 0 1 1 46.27 3777 + 3778 15 24.585000 2.663000 13.792000 242 V A 2 "VAL " " O " 8 0 1 1 57.33 3778 + 3779 3 22.096000 3.465000 11.630000 242 V A 2 "VAL " " CB " 6 0 1 1 37 3779 + 3780 3 21.327000 3.203000 12.942000 242 V A 2 "VAL " " CG1" 6 0 1 1 38.42 3780 + 3781 3 21.623000 4.792000 11.016000 242 V A 2 "VAL " " CG2" 6 0 1 1 32.86 3781 + 3782 43 23.531000 2.981000 9.648000 242 V A 2 "VAL " " H " 1 0 1 1 50.93 3782 + 3783 41 24.030000 4.362000 12.067000 242 V A 2 "VAL " " HA " 1 0 1 1 43.62 3783 + 3784 41 21.776000 2.691000 10.937000 242 V A 2 "VAL " " HB " 1 0 1 1 37 3784 + 3785 41 20.254000 3.231000 12.761000 242 V A 2 "VAL " "HG11" 1 0 1 1 38.42 3785 + 3786 41 21.514000 2.217000 13.366000 242 V A 2 "VAL " "HG12" 1 0 1 1 38.42 3786 + 3787 41 21.568000 3.952000 13.695000 242 V A 2 "VAL " "HG13" 1 0 1 1 38.42 3787 + 3788 41 20.558000 4.764000 10.784000 242 V A 2 "VAL " "HG21" 1 0 1 1 32.86 3788 + 3789 41 21.778000 5.613000 11.708000 242 V A 2 "VAL " "HG22" 1 0 1 1 32.86 3789 + 3790 41 22.153000 5.037000 10.096000 242 V A 2 "VAL " "HG23" 1 0 1 1 32.86 3790 + 3791 25 23.852000 1.042000 12.372000 243 K A 2 "LYS " " N " 7 0 1 1 50.24 3791 + 3792 3 24.101000 -0.102000 13.251000 243 K A 2 "LYS " " CA " 6 0 1 1 53.05 3792 + 3793 2 25.605000 -0.401000 13.424000 243 K A 2 "LYS " " C " 6 0 1 1 57.86 3793 + 3794 15 26.001000 -0.835000 14.504000 243 K A 2 "LYS " " O " 8 0 1 1 56.65 3794 + 3795 3 23.267000 -1.303000 12.752000 243 K A 2 "LYS " " CB " 6 0 1 1 49.01 3795 + 3796 3 23.176000 -2.494000 13.731000 243 K A 2 "LYS " " CG " 6 0 1 1 54.93 3796 + 3797 3 21.994000 -3.427000 13.401000 243 K A 2 "LYS " " CD " 6 0 1 1 64.14 3797 + 3798 3 21.751000 -4.554000 14.420000 243 K A 2 "LYS " " CE " 6 0 1 1 69.84 3798 + 3799 32 22.727000 -5.648000 14.287000 243 K A 2 "LYS " " NZ " 7 1 1 1 64.91 3799 + 3800 43 23.426000 0.836000 11.478000 243 K A 2 "LYS " " H " 1 0 1 1 50.24 3800 + 3801 41 23.720000 0.164000 14.240000 243 K A 2 "LYS " " HA " 1 0 1 1 53.05 3801 + 3802 41 23.614000 -1.631000 11.772000 243 K A 2 "LYS " " HB3" 1 0 1 1 49.01 3802 + 3803 41 22.251000 -0.938000 12.592000 243 K A 2 "LYS " " HB2" 1 0 1 1 49.01 3803 + 3804 41 23.061000 -2.118000 14.749000 243 K A 2 "LYS " " HG3" 1 0 1 1 54.93 3804 + 3805 41 24.109000 -3.057000 13.718000 243 K A 2 "LYS " " HG2" 1 0 1 1 54.93 3805 + 3806 41 22.144000 -3.866000 12.417000 243 K A 2 "LYS " " HD3" 1 0 1 1 64.14 3806 + 3807 41 21.082000 -2.835000 13.322000 243 K A 2 "LYS " " HD2" 1 0 1 1 64.14 3807 + 3808 41 20.762000 -4.983000 14.253000 243 K A 2 "LYS " " HE3" 1 0 1 1 69.84 3808 + 3809 41 21.762000 -4.168000 15.440000 243 K A 2 "LYS " " HE2" 1 0 1 1 69.84 3809 + 3810 44 22.679000 -6.023000 13.348000 243 K A 2 "LYS " " HZ1" 1 0 1 1 64.91 3810 + 3811 44 23.657000 -5.298000 14.465000 243 K A 2 "LYS " " HZ2" 1 0 1 1 64.91 3811 + 3812 44 22.507000 -6.380000 14.950000 243 K A 2 "LYS " " HZ3" 1 0 1 1 64.91 3812 + 3813 25 26.419000 -0.090000 12.398000 244 I A 2 "ILE " " N " 7 0 1 1 61.07 3813 + 3814 3 27.884000 -0.083000 12.452000 244 I A 2 "ILE " " CA " 6 0 1 1 53.38 3814 + 3815 2 28.437000 1.021000 13.373000 244 I A 2 "ILE " " C " 6 0 1 1 59.75 3815 + 3816 15 29.385000 0.746000 14.102000 244 I A 2 "ILE " " O " 8 0 1 1 64.62 3816 + 3817 3 28.522000 0.052000 11.032000 244 I A 2 "ILE " " CB " 6 0 1 1 44.27 3817 + 3818 3 28.368000 -1.266000 10.239000 244 I A 2 "ILE " " CG1" 6 0 1 1 30.38 3818 + 3819 3 30.003000 0.497000 10.988000 244 I A 2 "ILE " " CG2" 6 0 1 1 36.86 3819 + 3820 3 28.582000 -1.113000 8.723000 244 I A 2 "ILE " " CD1" 6 0 1 1 34.02 3820 + 3821 43 26.013000 0.239000 11.531000 244 I A 2 "ILE " " H " 1 0 1 1 61.07 3821 + 3822 41 28.192000 -1.042000 12.874000 244 I A 2 "ILE " " HA " 1 0 1 1 53.38 3822 + 3823 41 27.958000 0.822000 10.504000 244 I A 2 "ILE " " HB " 1 0 1 1 44.27 3823 + 3824 41 27.378000 -1.689000 10.404000 244 I A 2 "ILE " "HG13" 1 0 1 1 30.38 3824 + 3825 41 29.064000 -2.008000 10.630000 244 I A 2 "ILE " "HG12" 1 0 1 1 30.38 3825 + 3826 41 30.373000 0.536000 9.966000 244 I A 2 "ILE " "HG21" 1 0 1 1 36.86 3826 + 3827 41 30.145000 1.497000 11.394000 244 I A 2 "ILE " "HG22" 1 0 1 1 36.86 3827 + 3828 41 30.644000 -0.190000 11.540000 244 I A 2 "ILE " "HG23" 1 0 1 1 36.86 3828 + 3829 41 27.977000 -1.834000 8.172000 244 I A 2 "ILE " "HD11" 1 0 1 1 34.02 3829 + 3830 41 28.302000 -0.120000 8.370000 244 I A 2 "ILE " "HD12" 1 0 1 1 34.02 3830 + 3831 41 29.623000 -1.282000 8.451000 244 I A 2 "ILE " "HD13" 1 0 1 1 34.02 3831 + 3832 25 27.842000 2.229000 13.344000 245 M A 2 "MET " " N " 7 0 1 1 56.43 3832 + 3833 3 28.232000 3.371000 14.184000 245 M A 2 "MET " " CA " 6 0 1 1 55.13 3833 + 3834 2 28.105000 3.073000 15.691000 245 M A 2 "MET " " C " 6 0 1 1 61.51 3834 + 3835 15 28.967000 3.490000 16.462000 245 M A 2 "MET " " O " 8 0 1 1 73.33 3835 + 3836 3 27.414000 4.612000 13.760000 245 M A 2 "MET " " CB " 6 0 1 1 57.25 3836 + 3837 3 27.832000 5.957000 14.371000 245 M A 2 "MET " " CG " 6 0 1 1 68.89 3837 + 3838 49 29.404000 6.604000 13.734000 245 M A 2 "MET " " SD " 16 0 1 1 70.48 3838 + 3839 3 30.489000 6.243000 15.125000 245 M A 2 "MET " " CE " 6 0 1 1 82.79 3839 + 3840 43 27.074000 2.391000 12.706000 245 M A 2 "MET " " H " 1 0 1 1 56.43 3840 + 3841 41 29.284000 3.566000 13.971000 245 M A 2 "MET " " HA " 1 0 1 1 55.13 3841 + 3842 41 26.358000 4.454000 13.968000 245 M A 2 "MET " " HB3" 1 0 1 1 57.25 3842 + 3843 41 27.488000 4.721000 12.681000 245 M A 2 "MET " " HB2" 1 0 1 1 57.25 3843 + 3844 41 27.853000 5.916000 15.461000 245 M A 2 "MET " " HG3" 1 0 1 1 68.89 3844 + 3845 41 27.066000 6.691000 14.118000 245 M A 2 "MET " " HG2" 1 0 1 1 68.89 3845 + 3846 41 31.504000 6.584000 14.922000 245 M A 2 "MET " " HE1" 1 0 1 1 82.79 3846 + 3847 41 30.113000 6.768000 15.999000 245 M A 2 "MET " " HE2" 1 0 1 1 82.79 3847 + 3848 41 30.507000 5.176000 15.323000 245 M A 2 "MET " " HE3" 1 0 1 1 82.79 3848 + 3849 25 27.072000 2.295000 16.058000 246 S A 2 "SER " " N " 7 0 1 1 55.19 3849 + 3850 3 26.873000 1.747000 17.396000 246 S A 2 "SER " " CA " 6 0 1 1 51.84 3850 + 3851 2 27.925000 0.675000 17.754000 246 S A 2 "SER " " C " 6 0 1 1 56.21 3851 + 3852 15 28.614000 0.826000 18.760000 246 S A 2 "SER " " O " 8 0 1 1 66.91 3852 + 3853 3 25.422000 1.230000 17.506000 246 S A 2 "SER " " CB " 6 0 1 1 54.03 3853 + 3854 16 25.162000 0.614000 18.751000 246 S A 2 "SER " " OG " 8 0 1 1 75.6 3854 + 3855 43 26.412000 1.998000 15.353000 246 S A 2 "SER " " H " 1 0 1 1 55.19 3855 + 3856 41 26.985000 2.565000 18.110000 246 S A 2 "SER " " HA " 1 0 1 1 51.84 3856 + 3857 41 25.205000 0.508000 16.718000 246 S A 2 "SER " " HB3" 1 0 1 1 54.03 3857 + 3858 41 24.720000 2.054000 17.378000 246 S A 2 "SER " " HB2" 1 0 1 1 54.03 3858 + 3859 42 25.293000 1.263000 19.449000 246 S A 2 "SER " " HG " 1 0 1 1 75.6 3859 + 3860 25 28.031000 -0.384000 16.934000 247 L A 2 "LEU " " N " 7 0 1 1 45.85 3860 + 3861 3 28.867000 -1.557000 17.215000 247 L A 2 "LEU " " CA " 6 0 1 1 47.74 3861 + 3862 2 30.388000 -1.313000 17.122000 247 L A 2 "LEU " " C " 6 0 1 1 53.92 3862 + 3863 15 31.135000 -2.026000 17.792000 247 L A 2 "LEU " " O " 8 0 1 1 62.44 3863 + 3864 3 28.466000 -2.706000 16.259000 247 L A 2 "LEU " " CB " 6 0 1 1 52.96 3864 + 3865 3 27.059000 -3.299000 16.492000 247 L A 2 "LEU " " CG " 6 0 1 1 58.07 3865 + 3866 3 26.669000 -4.220000 15.321000 247 L A 2 "LEU " " CD1" 6 0 1 1 50.28 3866 + 3867 3 26.943000 -4.027000 17.847000 247 L A 2 "LEU " " CD2" 6 0 1 1 49.2 3867 + 3868 43 27.444000 -0.442000 16.112000 247 L A 2 "LEU " " H " 1 0 1 1 45.85 3868 + 3869 41 28.667000 -1.867000 18.241000 247 L A 2 "LEU " " HA " 1 0 1 1 47.74 3869 + 3870 41 29.194000 -3.517000 16.324000 247 L A 2 "LEU " " HB3" 1 0 1 1 52.96 3870 + 3871 41 28.528000 -2.336000 15.234000 247 L A 2 "LEU " " HB2" 1 0 1 1 52.96 3871 + 3872 41 26.334000 -2.485000 16.507000 247 L A 2 "LEU " " HG " 1 0 1 1 58.07 3872 + 3873 41 25.870000 -4.912000 15.586000 247 L A 2 "LEU " "HD11" 1 0 1 1 50.28 3873 + 3874 41 26.320000 -3.634000 14.471000 247 L A 2 "LEU " "HD12" 1 0 1 1 50.28 3874 + 3875 41 27.519000 -4.813000 14.981000 247 L A 2 "LEU " "HD13" 1 0 1 1 50.28 3875 + 3876 41 26.588000 -5.052000 17.741000 247 L A 2 "LEU " "HD21" 1 0 1 1 49.2 3876 + 3877 41 27.900000 -4.082000 18.366000 247 L A 2 "LEU " "HD22" 1 0 1 1 49.2 3877 + 3878 41 26.245000 -3.510000 18.506000 247 L A 2 "LEU " "HD23" 1 0 1 1 49.2 3878 + 3879 25 30.820000 -0.363000 16.276000 248 Y A 2 "TYR " " N " 7 0 0 1 52.11 3879 + 3880 3 32.210000 -0.219000 15.830000 248 Y A 2 "TYR " " CA " 6 0 0 1 50.49 3880 + 3881 2 32.672000 1.245000 15.826000 248 Y A 2 "TYR " " C " 6 0 0 1 60.66 3881 + 3882 15 33.411000 1.617000 14.914000 248 Y A 2 "TYR " " O " 8 0 0 1 59.63 3882 + 3883 3 32.369000 -0.870000 14.429000 248 Y A 2 "TYR " " CB " 6 0 0 1 40.83 3883 + 3884 2 32.004000 -2.338000 14.357000 248 Y A 2 "TYR " " CG " 6 0 0 1 63.48 3884 + 3885 2 32.744000 -3.293000 15.085000 248 Y A 2 "TYR " " CD1" 6 0 0 1 72.62 3885 + 3886 2 30.894000 -2.747000 13.591000 248 Y A 2 "TYR " " CD2" 6 0 0 1 71.9 3886 + 3887 2 32.352000 -4.645000 15.074000 248 Y A 2 "TYR " " CE1" 6 0 0 1 80.07 3887 + 3888 2 30.502000 -4.098000 13.579000 248 Y A 2 "TYR " " CE2" 6 0 0 1 70.89 3888 + 3889 2 31.224000 -5.044000 14.329000 248 Y A 2 "TYR " " CZ " 6 0 0 1 77.27 3889 + 3890 16 30.828000 -6.348000 14.342000 248 Y A 2 "TYR " " OH " 8 0 0 1 85.66 3890 + 3891 43 30.140000 0.185000 15.764000 248 Y A 2 "TYR " " H " 1 0 0 1 52.11 3891 + 3892 41 32.880000 -0.729000 16.524000 248 Y A 2 "TYR " " HA " 1 0 0 1 50.49 3892 + 3893 41 33.390000 -0.778000 14.065000 248 Y A 2 "TYR " " HB3" 1 0 0 1 40.83 3893 + 3894 41 31.764000 -0.323000 13.705000 248 Y A 2 "TYR " " HB2" 1 0 0 1 40.83 3894 + 3895 41 33.597000 -2.988000 15.674000 248 Y A 2 "TYR " " HD1" 1 0 0 1 72.62 3895 + 3896 41 30.322000 -2.025000 13.029000 248 Y A 2 "TYR " " HD2" 1 0 0 1 71.9 3896 + 3897 41 32.910000 -5.371000 15.646000 248 Y A 2 "TYR " " HE1" 1 0 0 1 80.07 3897 + 3898 41 29.641000 -4.401000 13.001000 248 Y A 2 "TYR " " HE2" 1 0 0 1 70.89 3898 + 3899 42 30.010000 -6.516000 13.864000 248 Y A 2 "TYR " " HH " 1 0 0 1 85.66 3899 + 3900 25 32.275000 2.041000 16.841000 249 Y A 2 "TYR " " N " 7 0 0 1 60.58 3900 + 3901 3 32.630000 3.463000 16.988000 249 Y A 2 "TYR " " CA " 6 0 0 1 56.56 3901 + 3902 2 34.131000 3.770000 16.806000 249 Y A 2 "TYR " " C " 6 0 0 1 59.58 3902 + 3903 15 34.465000 4.719000 16.098000 249 Y A 2 "TYR " " O " 8 0 0 1 67.84 3903 + 3904 3 32.083000 4.032000 18.329000 249 Y A 2 "TYR " " CB " 6 0 0 1 61.7 3904 + 3905 2 32.446000 5.488000 18.616000 249 Y A 2 "TYR " " CG " 6 0 0 1 56.8 3905 + 3906 2 31.523000 6.520000 18.354000 249 Y A 2 "TYR " " CD1" 6 0 0 1 53.04 3906 + 3907 2 33.729000 5.823000 19.098000 249 Y A 2 "TYR " " CD2" 6 0 0 1 51.72 3907 + 3908 2 31.904000 7.869000 18.493000 249 Y A 2 "TYR " " CE1" 6 0 0 1 60.65 3908 + 3909 2 34.122000 7.168000 19.219000 249 Y A 2 "TYR " " CE2" 6 0 0 1 58.99 3909 + 3910 2 33.211000 8.192000 18.908000 249 Y A 2 "TYR " " CZ " 6 0 0 1 54.69 3910 + 3911 16 33.609000 9.490000 19.009000 249 Y A 2 "TYR " " OH " 8 0 0 1 58.72 3911 + 3912 43 31.664000 1.663000 17.552000 249 Y A 2 "TYR " " H " 1 0 0 1 60.58 3912 + 3913 41 32.115000 3.976000 16.179000 249 Y A 2 "TYR " " HA " 1 0 0 1 56.56 3913 + 3914 41 32.450000 3.428000 19.161000 249 Y A 2 "TYR " " HB3" 1 0 0 1 61.7 3914 + 3915 41 30.997000 3.930000 18.350000 249 Y A 2 "TYR " " HB2" 1 0 0 1 61.7 3915 + 3916 41 30.523000 6.274000 18.036000 249 Y A 2 "TYR " " HD1" 1 0 0 1 53.04 3916 + 3917 41 34.437000 5.043000 19.325000 249 Y A 2 "TYR " " HD2" 1 0 0 1 51.72 3917 + 3918 41 31.195000 8.651000 18.263000 249 Y A 2 "TYR " " HE1" 1 0 0 1 60.65 3918 + 3919 41 35.121000 7.409000 19.550000 249 Y A 2 "TYR " " HE2" 1 0 0 1 58.99 3919 + 3920 42 32.908000 10.126000 18.808000 249 Y A 2 "TYR " " HH " 1 0 0 1 58.72 3920 + 3921 25 34.994000 2.966000 17.451000 250 Q A 2 "GLN " " N " 7 0 0 1 68.4 3921 + 3922 3 36.448000 3.143000 17.458000 250 Q A 2 "GLN " " CA " 6 0 0 1 76.1 3922 + 3923 2 37.124000 3.039000 16.084000 250 Q A 2 "GLN " " C " 6 0 0 1 75.37 3923 + 3924 15 38.120000 3.727000 15.861000 250 Q A 2 "GLN " " O " 8 0 0 1 76.35 3924 + 3925 3 37.081000 2.149000 18.454000 250 Q A 2 "GLN " " CB " 6 0 0 1 85.79 3925 + 3926 3 36.820000 2.491000 19.930000 250 Q A 2 "GLN " " CG " 6 0 0 1 110.96 3926 + 3927 2 37.452000 3.821000 20.353000 250 Q A 2 "GLN " " CD " 6 0 0 1 116.18 3927 + 3928 15 38.667000 3.988000 20.292000 250 Q A 2 "GLN " " OE1" 8 0 0 1 109.29 3928 + 3929 25 36.625000 4.773000 20.786000 250 Q A 2 "GLN " " NE2" 7 0 0 1 111.52 3929 + 3930 43 34.636000 2.203000 18.007000 250 Q A 2 "GLN " " H " 1 0 0 1 68.4 3930 + 3931 41 36.635000 4.164000 17.795000 250 Q A 2 "GLN " " HA " 1 0 0 1 76.1 3931 + 3932 41 38.160000 2.098000 18.297000 250 Q A 2 "GLN " " HB3" 1 0 0 1 85.79 3932 + 3933 41 36.711000 1.143000 18.250000 250 Q A 2 "GLN " " HB2" 1 0 0 1 85.79 3933 + 3934 41 37.245000 1.702000 20.545000 250 Q A 2 "GLN " " HG3" 1 0 0 1 110.96 3934 + 3935 41 35.749000 2.498000 20.138000 250 Q A 2 "GLN " " HG2" 1 0 0 1 110.96 3935 + 3936 43 36.982000 5.682000 21.053000 250 Q A 2 "GLN " "HE22" 1 0 0 1 111.52 3936 + 3937 43 35.632000 4.599000 20.847000 250 Q A 2 "GLN " "HE21" 1 0 0 1 111.52 3937 + 3938 25 36.563000 2.212000 15.190000 251 Y A 2 "TYR " " N " 7 0 0 1 75.5 3938 + 3939 3 37.065000 2.028000 13.831000 251 Y A 2 "TYR " " CA " 6 0 0 1 72.65 3939 + 3940 2 36.600000 3.114000 12.842000 251 Y A 2 "TYR " " C " 6 0 0 1 72.57 3940 + 3941 15 37.147000 3.165000 11.740000 251 Y A 2 "TYR " " O " 8 0 0 1 78.31 3941 + 3942 3 36.652000 0.632000 13.332000 251 Y A 2 "TYR " " CB " 6 0 0 1 70.2 3942 + 3943 2 37.227000 -0.534000 14.121000 251 Y A 2 "TYR " " CG " 6 0 0 1 71.01 3943 + 3944 2 38.622000 -0.732000 14.158000 251 Y A 2 "TYR " " CD1" 6 0 0 1 73.34 3944 + 3945 2 36.381000 -1.426000 14.812000 251 Y A 2 "TYR " " CD2" 6 0 0 1 78.92 3945 + 3946 2 39.169000 -1.809000 14.881000 251 Y A 2 "TYR " " CE1" 6 0 0 1 80.66 3946 + 3947 2 36.925000 -2.509000 15.530000 251 Y A 2 "TYR " " CE2" 6 0 0 1 85.74 3947 + 3948 2 38.320000 -2.694000 15.571000 251 Y A 2 "TYR " " CZ " 6 0 0 1 87.37 3948 + 3949 16 38.854000 -3.733000 16.275000 251 Y A 2 "TYR " " OH " 8 0 0 1 97.03 3949 + 3950 43 35.732000 1.693000 15.437000 251 Y A 2 "TYR " " H " 1 0 0 1 75.5 3950 + 3951 41 38.156000 2.073000 13.851000 251 Y A 2 "TYR " " HA " 1 0 0 1 72.65 3951 + 3952 41 37.008000 0.524000 12.311000 251 Y A 2 "TYR " " HB3" 1 0 0 1 70.2 3952 + 3953 41 35.565000 0.548000 13.290000 251 Y A 2 "TYR " " HB2" 1 0 0 1 70.2 3953 + 3954 41 39.278000 -0.054000 13.634000 251 Y A 2 "TYR " " HD1" 1 0 0 1 73.34 3954 + 3955 41 35.314000 -1.290000 14.801000 251 Y A 2 "TYR " " HD2" 1 0 0 1 78.92 3955 + 3956 41 40.239000 -1.952000 14.907000 251 Y A 2 "TYR " " HE1" 1 0 0 1 80.66 3956 + 3957 41 36.269000 -3.190000 16.053000 251 Y A 2 "TYR " " HE2" 1 0 0 1 85.74 3957 + 3958 42 38.200000 -4.417000 16.467000 251 Y A 2 "TYR " " HH " 1 0 0 1 97.03 3958 + 3959 25 35.608000 3.943000 13.220000 252 M A 2 "MET " " N " 7 0 0 1 65.35 3959 + 3960 3 34.974000 4.914000 12.325000 252 M A 2 "MET " " CA " 6 0 0 1 63.69 3960 + 3961 2 35.800000 6.155000 11.964000 252 M A 2 "MET " " C " 6 0 0 1 64.75 3961 + 3962 15 35.417000 6.798000 10.991000 252 M A 2 "MET " " O " 8 0 0 1 62.29 3962 + 3963 3 33.575000 5.326000 12.835000 252 M A 2 "MET " " CB " 6 0 0 1 56.16 3963 + 3964 3 32.509000 4.223000 12.746000 252 M A 2 "MET " " CG " 6 0 0 1 62.66 3964 + 3965 49 32.167000 3.579000 11.082000 252 M A 2 "MET " " SD " 16 0 0 1 71.12 3965 + 3966 3 33.138000 2.046000 11.109000 252 M A 2 "MET " " CE " 6 0 0 1 46.89 3966 + 3967 43 35.218000 3.867000 14.150000 252 M A 2 "MET " " H " 1 0 0 1 65.35 3967 + 3968 41 34.834000 4.418000 11.369000 252 M A 2 "MET " " HA " 1 0 0 1 63.69 3968 + 3969 41 33.200000 6.177000 12.263000 252 M A 2 "MET " " HB3" 1 0 0 1 56.16 3969 + 3970 41 33.645000 5.686000 13.861000 252 M A 2 "MET " " HB2" 1 0 0 1 56.16 3970 + 3971 41 31.568000 4.612000 13.129000 252 M A 2 "MET " " HG3" 1 0 0 1 62.66 3971 + 3972 41 32.770000 3.398000 13.398000 252 M A 2 "MET " " HG2" 1 0 0 1 62.66 3972 + 3973 41 33.008000 1.502000 10.174000 252 M A 2 "MET " " HE1" 1 0 0 1 46.89 3973 + 3974 41 34.200000 2.245000 11.236000 252 M A 2 "MET " " HE2" 1 0 0 1 46.89 3974 + 3975 41 32.809000 1.404000 11.926000 252 M A 2 "MET " " HE3" 1 0 0 1 46.89 3975 + 3976 25 36.893000 6.481000 12.683000 253 E A 2 "GLU " " N " 7 0 1 1 71.02 3976 + 3977 3 37.689000 7.696000 12.424000 253 E A 2 "GLU " " CA " 6 0 1 1 69.18 3977 + 3978 2 38.280000 7.774000 11.000000 253 E A 2 "GLU " " C " 6 0 1 1 62.68 3978 + 3979 15 38.401000 8.875000 10.461000 253 E A 2 "GLU " " O " 8 0 1 1 60.82 3979 + 3980 3 38.762000 7.887000 13.523000 253 E A 2 "GLU " " CB " 6 0 1 1 81.44 3980 + 3981 3 39.411000 9.292000 13.504000 253 E A 2 "GLU " " CG " 6 0 1 1 88.17 3981 + 3982 2 40.502000 9.520000 14.553000 253 E A 2 "GLU " " CD " 6 0 1 1 98.57 3982 + 3983 15 40.520000 8.789000 15.568000 253 E A 2 "GLU " " OE1" 8 0 1 1 104.83 3983 + 3984 18 41.311000 10.444000 14.321000 253 E A 2 "GLU " " OE2" 8 -1 1 1 96.65 3984 + 3985 43 37.180000 5.905000 13.461000 253 E A 2 "GLU " " H " 1 0 1 1 71.02 3985 + 3986 41 36.995000 8.534000 12.495000 253 E A 2 "GLU " " HA " 1 0 1 1 69.18 3986 + 3987 41 39.537000 7.127000 13.409000 253 E A 2 "GLU " " HB3" 1 0 1 1 81.44 3987 + 3988 41 38.317000 7.711000 14.503000 253 E A 2 "GLU " " HB2" 1 0 1 1 81.44 3988 + 3989 41 38.643000 10.052000 13.649000 253 E A 2 "GLU " " HG3" 1 0 1 1 88.17 3989 + 3990 41 39.863000 9.489000 12.532000 253 E A 2 "GLU " " HG2" 1 0 1 1 88.17 3990 + 3991 25 38.569000 6.608000 10.400000 254 T A 2 "THR " " N " 7 0 1 1 61.29 3991 + 3992 3 39.033000 6.460000 9.021000 254 T A 2 "THR " " CA " 6 0 1 1 60.34 3992 + 3993 2 37.995000 6.890000 7.960000 254 T A 2 "THR " " C " 6 0 1 1 67.06 3993 + 3994 15 38.396000 7.416000 6.924000 254 T A 2 "THR " " O " 8 0 1 1 69.07 3994 + 3995 3 39.413000 4.983000 8.724000 254 T A 2 "THR " " CB " 6 0 1 1 66.47 3995 + 3996 16 40.300000 4.506000 9.716000 254 T A 2 "THR " " OG1" 8 0 1 1 69.57 3996 + 3997 3 40.064000 4.727000 7.351000 254 T A 2 "THR " " CG2" 6 0 1 1 64.67 3997 + 3998 43 38.451000 5.746000 10.913000 254 T A 2 "THR " " H " 1 0 1 1 61.29 3998 + 3999 41 39.920000 7.084000 8.900000 254 T A 2 "THR " " HA " 1 0 1 1 60.34 3999 + 4000 41 38.519000 4.364000 8.798000 254 T A 2 "THR " " HB " 1 0 1 1 66.47 4000 + 4001 42 40.675000 3.675000 9.414000 254 T A 2 "THR " " HG1" 1 0 1 1 69.57 4001 + 4002 41 40.392000 3.690000 7.260000 254 T A 2 "THR " "HG21" 1 0 1 1 64.67 4002 + 4003 41 39.370000 4.906000 6.531000 254 T A 2 "THR " "HG22" 1 0 1 1 64.67 4003 + 4004 41 40.935000 5.366000 7.199000 254 T A 2 "THR " "HG23" 1 0 1 1 64.67 4004 + 4005 25 36.700000 6.649000 8.229000 255 Y A 2 "TYR " " N " 7 0 1 1 69.97 4005 + 4006 3 35.607000 6.802000 7.259000 255 Y A 2 "TYR " " CA " 6 0 1 1 63.97 4006 + 4007 2 34.743000 8.041000 7.527000 255 Y A 2 "TYR " " C " 6 0 1 1 63.09 4007 + 4008 15 34.093000 8.508000 6.593000 255 Y A 2 "TYR " " O " 8 0 1 1 58.5 4008 + 4009 3 34.720000 5.536000 7.281000 255 Y A 2 "TYR " " CB " 6 0 1 1 63.67 4009 + 4010 2 35.510000 4.242000 7.273000 255 Y A 2 "TYR " " CG " 6 0 1 1 73.26 4010 + 4011 2 35.593000 3.470000 8.447000 255 Y A 2 "TYR " " CD1" 6 0 1 1 67.97 4011 + 4012 2 36.245000 3.864000 6.132000 255 Y A 2 "TYR " " CD2" 6 0 1 1 79.08 4012 + 4013 2 36.453000 2.361000 8.503000 255 Y A 2 "TYR " " CE1" 6 0 1 1 71.02 4013 + 4014 2 37.097000 2.744000 6.183000 255 Y A 2 "TYR " " CE2" 6 0 1 1 76 4014 + 4015 2 37.219000 2.005000 7.375000 255 Y A 2 "TYR " " CZ " 6 0 1 1 75.13 4015 + 4016 16 38.099000 0.964000 7.445000 255 Y A 2 "TYR " " OH " 8 0 1 1 83.93 4016 + 4017 43 36.448000 6.246000 9.120000 255 Y A 2 "TYR " " H " 1 0 1 1 69.97 4017 + 4018 41 36.014000 6.904000 6.251000 255 Y A 2 "TYR " " HA " 1 0 1 1 63.97 4018 + 4019 41 34.026000 5.539000 6.439000 255 Y A 2 "TYR " " HB3" 1 0 1 1 63.67 4019 + 4020 41 34.104000 5.539000 8.181000 255 Y A 2 "TYR " " HB2" 1 0 1 1 63.67 4020 + 4021 41 35.031000 3.751000 9.323000 255 Y A 2 "TYR " " HD1" 1 0 1 1 67.97 4021 + 4022 41 36.189000 4.454000 5.229000 255 Y A 2 "TYR " " HD2" 1 0 1 1 79.08 4022 + 4023 41 36.538000 1.815000 9.429000 255 Y A 2 "TYR " " HE1" 1 0 1 1 71.02 4023 + 4024 41 37.674000 2.476000 5.311000 255 Y A 2 "TYR " " HE2" 1 0 1 1 76 4024 + 4025 42 38.655000 0.884000 6.663000 255 Y A 2 "TYR " " HH " 1 0 1 1 83.93 4025 + 4026 25 34.742000 8.540000 8.777000 256 M A 2 "MET " " N " 7 0 1 1 65.69 4026 + 4027 3 33.896000 9.627000 9.269000 256 M A 2 "MET " " CA " 6 0 1 1 67.75 4027 + 4028 2 34.045000 10.928000 8.464000 256 M A 2 "MET " " C " 6 0 1 1 67.13 4028 + 4029 15 33.074000 11.368000 7.851000 256 M A 2 "MET " " O " 8 0 1 1 72.72 4029 + 4030 3 34.123000 9.829000 10.782000 256 M A 2 "MET " " CB " 6 0 1 1 80.06 4030 + 4031 3 33.143000 10.798000 11.465000 256 M A 2 "MET " " CG " 6 0 1 1 80.12 4031 + 4032 49 31.457000 10.163000 11.689000 256 M A 2 "MET " " SD " 16 0 1 1 78.09 4032 + 4033 3 30.585000 11.166000 10.465000 256 M A 2 "MET " " CE " 6 0 1 1 76.36 4033 + 4034 43 35.306000 8.080000 9.481000 256 M A 2 "MET " " H " 1 0 1 1 65.69 4034 + 4035 41 32.876000 9.280000 9.150000 256 M A 2 "MET " " HA " 1 0 1 1 67.75 4035 + 4036 41 35.147000 10.154000 10.971000 256 M A 2 "MET " " HB3" 1 0 1 1 80.06 4036 + 4037 41 34.024000 8.870000 11.289000 256 M A 2 "MET " " HB2" 1 0 1 1 80.06 4037 + 4038 41 33.114000 11.762000 10.958000 256 M A 2 "MET " " HG3" 1 0 1 1 80.12 4038 + 4039 41 33.518000 11.009000 12.460000 256 M A 2 "MET " " HG2" 1 0 1 1 80.12 4039 + 4040 41 29.531000 10.896000 10.422000 256 M A 2 "MET " " HE1" 1 0 1 1 76.36 4040 + 4041 41 30.666000 12.224000 10.709000 256 M A 2 "MET " " HE2" 1 0 1 1 76.36 4041 + 4042 41 31.021000 11.008000 9.484000 256 M A 2 "MET " " HE3" 1 0 1 1 76.36 4042 + 4043 25 35.266000 11.484000 8.453000 257 G A 2 "GLY " " N " 7 0 0 1 62.54 4043 + 4044 3 35.618000 12.699000 7.721000 257 G A 2 "GLY " " CA " 6 0 0 1 68.26 4044 + 4045 2 35.492000 12.545000 6.191000 257 G A 2 "GLY " " C " 6 0 0 1 69.13 4045 + 4046 15 34.796000 13.366000 5.592000 257 G A 2 "GLY " " O " 8 0 0 1 71.68 4046 + 4047 43 36.008000 11.038000 8.974000 257 G A 2 "GLY " " H " 1 0 0 1 62.54 4047 + 4048 41 36.647000 12.969000 7.962000 257 G A 2 "GLY " " HA3" 1 0 0 1 68.26 4048 + 4049 41 34.990000 13.523000 8.065000 257 G A 2 "GLY " " HA2" 1 0 0 1 68.26 4049 + 4050 25 36.119000 11.532000 5.543000 258 P A 2 "PRO " " N " 7 0 0 1 71.2 4050 + 4051 3 36.147000 11.454000 4.069000 258 P A 2 "PRO " " CA " 6 0 0 1 74.42 4051 + 4052 2 34.895000 10.875000 3.377000 258 P A 2 "PRO " " C " 6 0 0 1 82.46 4052 + 4053 15 34.895000 10.855000 2.146000 258 P A 2 "PRO " " O " 8 0 0 1 81.53 4053 + 4054 3 37.398000 10.609000 3.778000 258 P A 2 "PRO " " CB " 6 0 0 1 72.38 4054 + 4055 3 37.520000 9.698000 4.982000 258 P A 2 "PRO " " CG " 6 0 0 1 70.94 4055 + 4056 3 37.083000 10.596000 6.132000 258 P A 2 "PRO " " CD " 6 0 0 1 71.31 4056 + 4057 41 36.302000 12.448000 3.645000 258 P A 2 "PRO " " HA " 1 0 0 1 74.42 4057 + 4058 41 38.270000 11.263000 3.725000 258 P A 2 "PRO " " HB3" 1 0 0 1 72.38 4058 + 4059 41 37.358000 10.052000 2.841000 258 P A 2 "PRO " " HB2" 1 0 0 1 72.38 4059 + 4060 41 38.524000 9.293000 5.106000 258 P A 2 "PRO " " HG3" 1 0 0 1 70.94 4060 + 4061 41 36.824000 8.864000 4.881000 258 P A 2 "PRO " " HG2" 1 0 0 1 70.94 4061 + 4062 41 36.682000 9.996000 6.944000 258 P A 2 "PRO " " HD2" 1 0 0 1 71.31 4062 + 4063 41 37.934000 11.160000 6.516000 258 P A 2 "PRO " " HD3" 1 0 0 1 71.31 4063 + 4064 25 33.870000 10.417000 4.122000 259 A A 2 "ALA " " N " 7 0 0 1 83.51 4064 + 4065 3 32.693000 9.782000 3.519000 259 A A 2 "ALA " " CA " 6 0 0 1 75.16 4065 + 4066 2 31.415000 9.921000 4.354000 259 A A 2 "ALA " " C " 6 0 0 1 69.13 4066 + 4067 15 30.463000 10.525000 3.858000 259 A A 2 "ALA " " O " 8 0 0 1 75.44 4067 + 4068 3 32.986000 8.312000 3.169000 259 A A 2 "ALA " " CB " 6 0 0 1 65.82 4068 + 4069 43 33.912000 10.444000 5.131000 259 A A 2 "ALA " " H " 1 0 0 1 83.51 4069 + 4070 41 32.474000 10.294000 2.580000 259 A A 2 "ALA " " HA " 1 0 0 1 75.16 4070 + 4071 41 32.104000 7.815000 2.762000 259 A A 2 "ALA " " HB1" 1 0 0 1 65.82 4071 + 4072 41 33.774000 8.233000 2.419000 259 A A 2 "ALA " " HB2" 1 0 0 1 65.82 4072 + 4073 41 33.308000 7.747000 4.044000 259 A A 2 "ALA " " HB3" 1 0 0 1 65.82 4073 + 4074 25 31.384000 9.333000 5.568000 260 L A 2 "LEU " " N " 7 0 1 1 59.55 4074 + 4075 3 30.153000 9.184000 6.363000 260 L A 2 "LEU " " CA " 6 0 1 1 57.33 4075 + 4076 2 29.476000 10.508000 6.730000 260 L A 2 "LEU " " C " 6 0 1 1 63.2 4076 + 4077 15 28.248000 10.545000 6.745000 260 L A 2 "LEU " " O " 8 0 1 1 68.04 4077 + 4078 3 30.370000 8.382000 7.665000 260 L A 2 "LEU " " CB " 6 0 1 1 56 4078 + 4079 3 30.984000 6.979000 7.523000 260 L A 2 "LEU " " CG " 6 0 1 1 54.15 4079 + 4080 3 31.064000 6.283000 8.898000 260 L A 2 "LEU " " CD1" 6 0 1 1 56.65 4080 + 4081 3 30.234000 6.124000 6.496000 260 L A 2 "LEU " " CD2" 6 0 1 1 51.99 4081 + 4082 43 32.212000 8.873000 5.925000 260 L A 2 "LEU " " H " 1 0 1 1 59.55 4082 + 4083 41 29.446000 8.635000 5.739000 260 L A 2 "LEU " " HA " 1 0 1 1 57.33 4083 + 4084 41 29.403000 8.272000 8.160000 260 L A 2 "LEU " " HB3" 1 0 1 1 56 4084 + 4085 41 30.971000 8.969000 8.351000 260 L A 2 "LEU " " HB2" 1 0 1 1 56 4085 + 4086 41 32.004000 7.087000 7.160000 260 L A 2 "LEU " " HG " 1 0 1 1 54.15 4086 + 4087 41 32.086000 5.987000 9.129000 260 L A 2 "LEU " "HD11" 1 0 1 1 56.65 4087 + 4088 41 30.735000 6.933000 9.709000 260 L A 2 "LEU " "HD12" 1 0 1 1 56.65 4088 + 4089 41 30.445000 5.386000 8.943000 260 L A 2 "LEU " "HD13" 1 0 1 1 56.65 4089 + 4090 41 30.427000 5.064000 6.645000 260 L A 2 "LEU " "HD21" 1 0 1 1 51.99 4090 + 4091 41 29.158000 6.285000 6.549000 260 L A 2 "LEU " "HD22" 1 0 1 1 51.99 4091 + 4092 41 30.560000 6.369000 5.486000 260 L A 2 "LEU " "HD23" 1 0 1 1 51.99 4092 + 4093 25 30.267000 11.563000 6.993000 261 F A 2 "PHE " " N " 7 0 1 1 62.85 4093 + 4094 3 29.765000 12.900000 7.299000 261 F A 2 "PHE " " CA " 6 0 1 1 62.26 4094 + 4095 2 28.898000 13.458000 6.161000 261 F A 2 "PHE " " C " 6 0 1 1 68.56 4095 + 4096 15 27.742000 13.781000 6.409000 261 F A 2 "PHE " " O " 8 0 1 1 72.27 4096 + 4097 3 30.917000 13.849000 7.703000 261 F A 2 "PHE " " CB " 6 0 1 1 64.52 4097 + 4098 2 30.483000 15.273000 8.016000 261 F A 2 "PHE " " CG " 6 0 1 1 61.8 4098 + 4099 2 29.917000 15.574000 9.273000 261 F A 2 "PHE " " CD1" 6 0 1 1 64.04 4099 + 4100 2 30.456000 16.257000 7.004000 261 F A 2 "PHE " " CD2" 6 0 1 1 58.64 4100 + 4101 2 29.386000 16.833000 9.515000 261 F A 2 "PHE " " CE1" 6 0 1 1 61.86 4101 + 4102 2 29.925000 17.513000 7.267000 261 F A 2 "PHE " " CE2" 6 0 1 1 55.93 4102 + 4103 2 29.397000 17.799000 8.519000 261 F A 2 "PHE " " CZ " 6 0 1 1 62.58 4103 + 4104 43 31.273000 11.451000 6.980000 261 F A 2 "PHE " " H " 1 0 1 1 62.85 4104 + 4105 41 29.116000 12.799000 8.171000 261 F A 2 "PHE " " HA " 1 0 1 1 62.26 4105 + 4106 41 31.682000 13.868000 6.926000 261 F A 2 "PHE " " HB3" 1 0 1 1 64.52 4106 + 4107 41 31.406000 13.453000 8.594000 261 F A 2 "PHE " " HB2" 1 0 1 1 64.52 4107 + 4108 41 29.895000 14.824000 10.047000 261 F A 2 "PHE " " HD1" 1 0 1 1 64.04 4108 + 4109 41 30.838000 16.034000 6.018000 261 F A 2 "PHE " " HD2" 1 0 1 1 58.64 4109 + 4110 41 28.954000 17.064000 10.474000 261 F A 2 "PHE " " HE1" 1 0 1 1 61.86 4110 + 4111 41 29.910000 18.265000 6.492000 261 F A 2 "PHE " " HE2" 1 0 1 1 55.93 4111 + 4112 41 28.977000 18.773000 8.712000 261 F A 2 "PHE " " HZ " 1 0 1 1 62.58 4112 + 4113 25 29.450000 13.491000 4.936000 262 A A 2 "ALA " " N " 7 0 1 1 65.04 4113 + 4114 3 28.763000 13.955000 3.731000 262 A A 2 "ALA " " CA " 6 0 1 1 62.73 4114 + 4115 2 27.494000 13.153000 3.387000 262 A A 2 "ALA " " C " 6 0 1 1 62.02 4115 + 4116 15 26.478000 13.768000 3.063000 262 A A 2 "ALA " " O " 8 0 1 1 56.16 4116 + 4117 3 29.752000 13.949000 2.556000 262 A A 2 "ALA " " CB " 6 0 1 1 67.52 4117 + 4118 43 30.397000 13.165000 4.810000 262 A A 2 "ALA " " H " 1 0 1 1 65.04 4118 + 4119 41 28.460000 14.989000 3.909000 262 A A 2 "ALA " " HA " 1 0 1 1 62.73 4119 + 4120 41 29.283000 14.311000 1.640000 262 A A 2 "ALA " " HB1" 1 0 1 1 67.52 4120 + 4121 41 30.606000 14.596000 2.762000 262 A A 2 "ALA " " HB2" 1 0 1 1 67.52 4121 + 4122 41 30.136000 12.947000 2.358000 262 A A 2 "ALA " " HB3" 1 0 1 1 67.52 4122 + 4123 25 27.569000 11.814000 3.504000 263 I A 2 "ILE " " N " 7 0 1 1 54.57 4123 + 4124 3 26.460000 10.884000 3.262000 263 I A 2 "ILE " " CA " 6 0 1 1 46.37 4124 + 4125 2 25.271000 11.118000 4.214000 263 I A 2 "ILE " " C " 6 0 1 1 51.26 4125 + 4126 15 24.149000 11.292000 3.741000 263 I A 2 "ILE " " O " 8 0 1 1 52.98 4126 + 4127 3 26.923000 9.392000 3.355000 263 I A 2 "ILE " " CB " 6 0 1 1 44.83 4127 + 4128 3 27.851000 9.032000 2.172000 263 I A 2 "ILE " " CG1" 6 0 1 1 43.33 4128 + 4129 3 25.784000 8.348000 3.455000 263 I A 2 "ILE " " CG2" 6 0 1 1 44.73 4129 + 4130 3 28.617000 7.713000 2.359000 263 I A 2 "ILE " " CD1" 6 0 1 1 52.83 4130 + 4131 43 28.446000 11.393000 3.779000 263 I A 2 "ILE " " H " 1 0 1 1 54.57 4131 + 4132 41 26.103000 11.065000 2.246000 263 I A 2 "ILE " " HA " 1 0 1 1 46.37 4132 + 4133 41 27.517000 9.298000 4.266000 263 I A 2 "ILE " " HB " 1 0 1 1 44.83 4133 + 4134 41 28.577000 9.827000 2.005000 263 I A 2 "ILE " "HG13" 1 0 1 1 43.33 4134 + 4135 41 27.261000 8.977000 1.256000 263 I A 2 "ILE " "HG12" 1 0 1 1 43.33 4135 + 4136 41 26.174000 7.331000 3.453000 263 I A 2 "ILE " "HG21" 1 0 1 1 44.73 4136 + 4137 41 25.213000 8.444000 4.378000 263 I A 2 "ILE " "HG22" 1 0 1 1 44.73 4137 + 4138 41 25.092000 8.434000 2.616000 263 I A 2 "ILE " "HG23" 1 0 1 1 44.73 4138 + 4139 41 29.573000 7.744000 1.835000 263 I A 2 "ILE " "HD11" 1 0 1 1 52.83 4139 + 4140 41 28.829000 7.511000 3.409000 263 I A 2 "ILE " "HD12" 1 0 1 1 52.83 4140 + 4141 41 28.054000 6.868000 1.963000 263 I A 2 "ILE " "HD13" 1 0 1 1 52.83 4141 + 4142 25 25.545000 11.118000 5.528000 264 T A 2 "THR " " N " 7 0 1 1 48.84 4142 + 4143 3 24.537000 11.225000 6.584000 264 T A 2 "THR " " CA " 6 0 1 1 54.44 4143 + 4144 2 23.958000 12.647000 6.727000 264 T A 2 "THR " " C " 6 0 1 1 60.1 4144 + 4145 15 22.787000 12.763000 7.083000 264 T A 2 "THR " " O " 8 0 1 1 72.25 4145 + 4146 3 25.106000 10.774000 7.953000 264 T A 2 "THR " " CB " 6 0 1 1 55.91 4146 + 4147 16 26.146000 11.623000 8.408000 264 T A 2 "THR " " OG1" 8 0 1 1 70.74 4147 + 4148 3 25.588000 9.312000 7.918000 264 T A 2 "THR " " CG2" 6 0 1 1 45.78 4148 + 4149 43 26.500000 10.985000 5.836000 264 T A 2 "THR " " H " 1 0 1 1 48.84 4149 + 4150 41 23.715000 10.554000 6.330000 264 T A 2 "THR " " HA " 1 0 1 1 54.44 4150 + 4151 41 24.318000 10.838000 8.706000 264 T A 2 "THR " " HB " 1 0 1 1 55.91 4151 + 4152 42 26.944000 11.414000 7.912000 264 T A 2 "THR " " HG1" 1 0 1 1 70.74 4152 + 4153 41 26.209000 9.074000 8.776000 264 T A 2 "THR " "HG21" 1 0 1 1 45.78 4153 + 4154 41 24.739000 8.628000 7.922000 264 T A 2 "THR " "HG22" 1 0 1 1 45.78 4154 + 4155 41 26.178000 9.076000 7.034000 264 T A 2 "THR " "HG23" 1 0 1 1 45.78 4155 + 4156 25 24.742000 13.687000 6.398000 265 I A 2 "ILE " " N " 7 0 1 1 63.55 4156 + 4157 3 24.289000 15.079000 6.367000 265 I A 2 "ILE " " CA " 6 0 1 1 60.79 4157 + 4158 2 23.331000 15.353000 5.191000 265 I A 2 "ILE " " C " 6 0 1 1 66.32 4158 + 4159 15 22.314000 16.008000 5.411000 265 I A 2 "ILE " " O " 8 0 1 1 70.07 4159 + 4160 3 25.483000 16.078000 6.356000 265 I A 2 "ILE " " CB " 6 0 1 1 58.41 4160 + 4161 3 26.241000 16.052000 7.707000 265 I A 2 "ILE " " CG1" 6 0 1 1 62.77 4161 + 4162 3 25.172000 17.530000 5.929000 265 I A 2 "ILE " " CG2" 6 0 1 1 48.24 4162 + 4163 3 25.659000 16.928000 8.826000 265 I A 2 "ILE " " CD1" 6 0 1 1 62.1 4163 + 4164 43 25.705000 13.524000 6.132000 265 I A 2 "ILE " " H " 1 0 1 1 63.55 4164 + 4165 41 23.721000 15.255000 7.280000 265 I A 2 "ILE " " HA " 1 0 1 1 60.79 4165 + 4166 41 26.185000 15.706000 5.609000 265 I A 2 "ILE " " HB " 1 0 1 1 58.41 4166 + 4167 41 27.264000 16.372000 7.519000 265 I A 2 "ILE " "HG13" 1 0 1 1 62.77 4167 + 4168 41 26.325000 15.033000 8.086000 265 I A 2 "ILE " "HG12" 1 0 1 1 62.77 4168 + 4169 41 26.057000 18.159000 6.025000 265 I A 2 "ILE " "HG21" 1 0 1 1 48.24 4169 + 4170 41 24.855000 17.593000 4.888000 265 I A 2 "ILE " "HG22" 1 0 1 1 48.24 4170 + 4171 41 24.387000 17.967000 6.544000 265 I A 2 "ILE " "HG23" 1 0 1 1 48.24 4171 + 4172 41 25.809000 16.465000 9.803000 265 I A 2 "ILE " "HD11" 1 0 1 1 62.1 4172 + 4173 41 26.148000 17.900000 8.847000 265 I A 2 "ILE " "HD12" 1 0 1 1 62.1 4173 + 4174 41 24.592000 17.100000 8.702000 265 I A 2 "ILE " "HD13" 1 0 1 1 62.1 4174 + 4175 25 23.631000 14.810000 3.994000 266 E A 2 "GLU " " N " 7 0 1 1 68.61 4175 + 4176 3 22.731000 14.874000 2.837000 266 E A 2 "GLU " " CA " 6 0 1 1 66.85 4176 + 4177 2 21.471000 14.007000 3.034000 266 E A 2 "GLU " " C " 6 0 1 1 61 4177 + 4178 15 20.405000 14.397000 2.559000 266 E A 2 "GLU " " O " 8 0 1 1 63.1 4178 + 4179 3 23.480000 14.494000 1.540000 266 E A 2 "GLU " " CB " 6 0 1 1 75.35 4179 + 4180 3 22.706000 14.857000 0.245000 266 E A 2 "GLU " " CG " 6 0 1 1 101.17 4180 + 4181 2 22.478000 13.673000 -0.697000 266 E A 2 "GLU " " CD " 6 0 1 1 111.76 4181 + 4182 15 23.492000 13.136000 -1.194000 266 E A 2 "GLU " " OE1" 8 0 1 1 121.16 4182 + 4183 18 21.295000 13.328000 -0.911000 266 E A 2 "GLU " " OE2" 8 -1 1 1 125.66 4183 + 4184 43 24.486000 14.283000 3.873000 266 E A 2 "GLU " " H " 1 0 1 1 68.61 4184 + 4185 41 22.408000 15.913000 2.740000 266 E A 2 "GLU " " HA " 1 0 1 1 66.85 4185 + 4186 41 23.726000 13.430000 1.565000 266 E A 2 "GLU " " HB3" 1 0 1 1 75.35 4186 + 4187 41 24.442000 15.007000 1.521000 266 E A 2 "GLU " " HB2" 1 0 1 1 75.35 4187 + 4188 41 23.267000 15.613000 -0.305000 266 E A 2 "GLU " " HG3" 1 0 1 1 101.17 4188 + 4189 41 21.746000 15.323000 0.469000 266 E A 2 "GLU " " HG2" 1 0 1 1 101.17 4189 + 4190 25 21.602000 12.882000 3.764000 267 A A 2 "ALA " " N " 7 0 1 1 52.95 4190 + 4191 3 20.494000 11.996000 4.124000 267 A A 2 "ALA " " CA " 6 0 1 1 55.58 4191 + 4192 2 19.419000 12.702000 4.965000 267 A A 2 "ALA " " C " 6 0 1 1 61.05 4192 + 4193 15 18.253000 12.618000 4.588000 267 A A 2 "ALA " " O " 8 0 1 1 72.02 4193 + 4194 3 21.007000 10.727000 4.821000 267 A A 2 "ALA " " CB " 6 0 1 1 60.4 4194 + 4195 43 22.516000 12.612000 4.100000 267 A A 2 "ALA " " H " 1 0 1 1 52.95 4195 + 4196 41 20.030000 11.686000 3.186000 267 A A 2 "ALA " " HA " 1 0 1 1 55.58 4196 + 4197 41 20.188000 10.036000 5.025000 267 A A 2 "ALA " " HB1" 1 0 1 1 60.4 4197 + 4198 41 21.728000 10.198000 4.198000 267 A A 2 "ALA " " HB2" 1 0 1 1 60.4 4198 + 4199 41 21.484000 10.950000 5.773000 267 A A 2 "ALA " " HB3" 1 0 1 1 60.4 4199 + 4200 25 19.828000 13.447000 6.013000 268 M A 2 "MET " " N " 7 0 1 1 63.67 4200 + 4201 3 18.952000 14.300000 6.834000 268 M A 2 "MET " " CA " 6 0 1 1 64.48 4201 + 4202 2 18.177000 15.374000 6.045000 268 M A 2 "MET " " C " 6 0 1 1 69.18 4202 + 4203 15 17.093000 15.761000 6.481000 268 M A 2 "MET " " O " 8 0 1 1 71.85 4203 + 4204 3 19.765000 15.025000 7.925000 268 M A 2 "MET " " CB " 6 0 1 1 62.58 4204 + 4205 3 20.300000 14.138000 9.052000 268 M A 2 "MET " " CG " 6 0 1 1 72.08 4205 + 4206 49 20.945000 15.056000 10.478000 268 M A 2 "MET " " SD " 16 0 1 1 73.52 4206 + 4207 3 22.384000 15.857000 9.727000 268 M A 2 "MET " " CE " 6 0 1 1 77.94 4207 + 4208 43 20.812000 13.471000 6.244000 268 M A 2 "MET " " H " 1 0 1 1 63.67 4208 + 4209 41 18.215000 13.657000 7.318000 268 M A 2 "MET " " HA " 1 0 1 1 64.48 4209 + 4210 41 19.143000 15.790000 8.392000 268 M A 2 "MET " " HB3" 1 0 1 1 62.58 4210 + 4211 41 20.586000 15.557000 7.448000 268 M A 2 "MET " " HB2" 1 0 1 1 62.58 4211 + 4212 41 21.069000 13.462000 8.692000 268 M A 2 "MET " " HG3" 1 0 1 1 72.08 4212 + 4213 41 19.487000 13.516000 9.415000 268 M A 2 "MET " " HG2" 1 0 1 1 72.08 4213 + 4214 41 22.770000 16.633000 10.383000 268 M A 2 "MET " " HE1" 1 0 1 1 77.94 4214 + 4215 41 23.170000 15.124000 9.550000 268 M A 2 "MET " " HE2" 1 0 1 1 77.94 4215 + 4216 41 22.130000 16.340000 8.786000 268 M A 2 "MET " " HE3" 1 0 1 1 77.94 4216 + 4217 25 18.755000 15.850000 4.930000 269 K A 2 "LYS " " N " 7 0 1 1 68.68 4217 + 4218 3 18.202000 16.919000 4.098000 269 K A 2 "LYS " " CA " 6 0 1 1 71.16 4218 + 4219 2 17.232000 16.430000 3.014000 269 K A 2 "LYS " " C " 6 0 1 1 75.46 4219 + 4220 15 16.451000 17.251000 2.532000 269 K A 2 "LYS " " O " 8 0 1 1 71.94 4220 + 4221 3 19.354000 17.689000 3.430000 269 K A 2 "LYS " " CB " 6 0 1 1 70.07 4221 + 4222 3 20.214000 18.498000 4.409000 269 K A 2 "LYS " " CG " 6 0 1 1 59.49 4222 + 4223 3 21.382000 19.171000 3.680000 269 K A 2 "LYS " " CD " 6 0 1 1 69.53 4223 + 4224 3 22.343000 19.883000 4.632000 269 K A 2 "LYS " " CE " 6 0 1 1 84.35 4224 + 4225 32 23.440000 20.533000 3.899000 269 K A 2 "LYS " " NZ " 7 1 1 1 99.48 4225 + 4226 43 19.645000 15.474000 4.634000 269 K A 2 "LYS " " H " 1 0 1 1 68.68 4226 + 4227 41 17.654000 17.616000 4.735000 269 K A 2 "LYS " " HA " 1 0 1 1 71.16 4227 + 4228 41 18.952000 18.386000 2.694000 269 K A 2 "LYS " " HB3" 1 0 1 1 70.07 4228 + 4229 41 19.983000 16.996000 2.870000 269 K A 2 "LYS " " HB2" 1 0 1 1 70.07 4229 + 4230 41 20.588000 17.858000 5.206000 269 K A 2 "LYS " " HG3" 1 0 1 1 59.49 4230 + 4231 41 19.600000 19.255000 4.898000 269 K A 2 "LYS " " HG2" 1 0 1 1 59.49 4231 + 4232 41 20.990000 19.885000 2.955000 269 K A 2 "LYS " " HD3" 1 0 1 1 69.53 4232 + 4233 41 21.931000 18.422000 3.106000 269 K A 2 "LYS " " HD2" 1 0 1 1 69.53 4233 + 4234 41 22.775000 19.163000 5.322000 269 K A 2 "LYS " " HE3" 1 0 1 1 84.35 4234 + 4235 41 21.817000 20.637000 5.217000 269 K A 2 "LYS " " HE2" 1 0 1 1 84.35 4235 + 4236 44 23.954000 19.838000 3.375000 269 K A 2 "LYS " " HZ1" 1 0 1 1 99.48 4236 + 4237 44 23.060000 21.219000 3.263000 269 K A 2 "LYS " " HZ2" 1 0 1 1 99.48 4237 + 4238 44 24.061000 20.988000 4.552000 269 K A 2 "LYS " " HZ3" 1 0 1 1 99.48 4238 + 4239 25 17.298000 15.141000 2.630000 270 S A 2 "SER " " N " 7 0 0 1 74.44 4239 + 4240 3 16.454000 14.557000 1.586000 270 S A 2 "SER " " CA " 6 0 0 1 83.94 4240 + 4241 2 14.970000 14.602000 1.993000 270 S A 2 "SER " " C " 6 0 0 1 86.01 4241 + 4242 15 14.643000 14.222000 3.117000 270 S A 2 "SER " " O " 8 0 0 1 80.08 4242 + 4243 3 16.937000 13.123000 1.279000 270 S A 2 "SER " " CB " 6 0 0 1 85.85 4243 + 4244 16 16.270000 12.579000 0.153000 270 S A 2 "SER " " OG " 8 0 0 1 93.78 4244 + 4245 43 17.960000 14.520000 3.075000 270 S A 2 "SER " " H " 1 0 0 1 74.44 4245 + 4246 41 16.590000 15.162000 0.686000 270 S A 2 "SER " " HA " 1 0 0 1 83.94 4246 + 4247 41 16.776000 12.468000 2.137000 270 S A 2 "SER " " HB3" 1 0 0 1 85.85 4247 + 4248 41 18.008000 13.118000 1.075000 270 S A 2 "SER " " HB2" 1 0 0 1 85.85 4248 + 4249 42 16.552000 13.060000 -0.629000 270 S A 2 "SER " " HG " 1 0 0 1 93.78 4249 + 4250 25 14.110000 15.075000 1.074000 271 D A 2 "ASP " " N " 7 0 0 1 85.8 4250 + 4251 3 12.657000 15.207000 1.267000 271 D A 2 "ASP " " CA " 6 0 0 1 81.24 4251 + 4252 2 11.920000 13.878000 1.507000 271 D A 2 "ASP " " C " 6 0 0 1 77.24 4252 + 4253 15 10.799000 13.905000 2.013000 271 D A 2 "ASP " " O " 8 0 0 1 86.29 4253 + 4254 3 11.969000 15.995000 0.130000 271 D A 2 "ASP " " CB " 6 0 0 1 93.19 4254 + 4255 2 12.603000 17.359000 -0.139000 271 D A 2 "ASP " " CG " 6 0 0 1 101.68 4255 + 4256 15 12.276000 18.294000 0.626000 271 D A 2 "ASP " " OD1" 8 0 0 1 99.96 4256 + 4257 18 13.390000 17.445000 -1.106000 271 D A 2 "ASP " " OD2" 8 -1 0 1 101.6 4257 + 4258 43 14.461000 15.400000 0.184000 271 D A 2 "ASP " " H " 1 0 0 1 85.8 4258 + 4259 41 12.525000 15.789000 2.182000 271 D A 2 "ASP " " HA " 1 0 0 1 81.24 4259 + 4260 41 10.909000 16.149000 0.337000 271 D A 2 "ASP " " HB3" 1 0 0 1 93.19 4260 + 4261 41 11.984000 15.419000 -0.796000 271 D A 2 "ASP " " HB2" 1 0 0 1 93.19 4261 + 4262 25 12.566000 12.749000 1.173000 272 I A 2 "ILE " " N " 7 0 0 1 68.06 4262 + 4263 3 12.103000 11.401000 1.477000 272 I A 2 "ILE " " CA " 6 0 0 1 65.59 4263 + 4264 2 12.315000 11.138000 2.983000 272 I A 2 "ILE " " C " 6 0 0 1 71.45 4264 + 4265 15 13.461000 11.045000 3.427000 272 I A 2 "ILE " " O " 8 0 0 1 74.94 4265 + 4266 3 12.888000 10.332000 0.657000 272 I A 2 "ILE " " CB " 6 0 0 1 62.49 4266 + 4267 3 12.868000 10.628000 -0.862000 272 I A 2 "ILE " " CG1" 6 0 0 1 54.31 4267 + 4268 3 12.368000 8.903000 0.928000 272 I A 2 "ILE " " CG2" 6 0 0 1 55.59 4268 + 4269 3 13.805000 9.729000 -1.683000 272 I A 2 "ILE " " CD1" 6 0 0 1 56.6 4269 + 4270 43 13.491000 12.816000 0.774000 272 I A 2 "ILE " " H " 1 0 0 1 68.06 4270 + 4271 41 11.041000 11.325000 1.233000 272 I A 2 "ILE " " HA " 1 0 0 1 65.59 4271 + 4272 41 13.934000 10.365000 0.968000 272 I A 2 "ILE " " HB " 1 0 0 1 62.49 4272 + 4273 41 13.156000 11.661000 -1.059000 272 I A 2 "ILE " "HG13" 1 0 0 1 54.31 4273 + 4274 41 11.849000 10.528000 -1.237000 272 I A 2 "ILE " "HG12" 1 0 0 1 54.31 4274 + 4275 41 12.937000 8.158000 0.376000 272 I A 2 "ILE " "HG21" 1 0 0 1 55.59 4275 + 4276 41 12.446000 8.632000 1.979000 272 I A 2 "ILE " "HG22" 1 0 0 1 55.59 4276 + 4277 41 11.321000 8.799000 0.639000 272 I A 2 "ILE " "HG23" 1 0 0 1 55.59 4277 + 4278 41 14.130000 10.234000 -2.594000 272 I A 2 "ILE " "HD11" 1 0 0 1 56.6 4278 + 4279 41 14.699000 9.457000 -1.122000 272 I A 2 "ILE " "HD12" 1 0 0 1 56.6 4279 + 4280 41 13.303000 8.808000 -1.979000 272 I A 2 "ILE " "HD13" 1 0 0 1 56.6 4280 + 4281 25 11.204000 11.046000 3.735000 273 D A 2 "ASP " " N " 7 0 1 1 73.11 4281 + 4282 3 11.172000 10.848000 5.193000 273 D A 2 "ASP " " CA " 6 0 1 1 78.47 4282 + 4283 2 11.921000 9.596000 5.672000 273 D A 2 "ASP " " C " 6 0 1 1 79.45 4283 + 4284 15 12.600000 9.661000 6.693000 273 D A 2 "ASP " " O " 8 0 1 1 82.79 4284 + 4285 3 9.745000 10.824000 5.794000 273 D A 2 "ASP " " CB " 6 0 1 1 86.7 4285 + 4286 2 8.885000 12.074000 5.569000 273 D A 2 "ASP " " CG " 6 0 1 1 94.94 4286 + 4287 15 9.250000 12.920000 4.724000 273 D A 2 "ASP " " OD1" 8 0 1 1 100.19 4287 + 4288 18 7.848000 12.154000 6.262000 273 D A 2 "ASP " " OD2" 8 -1 1 1 94.53 4288 + 4289 43 10.304000 11.202000 3.304000 273 D A 2 "ASP " " H " 1 0 1 1 73.11 4289 + 4290 41 11.689000 11.708000 5.619000 273 D A 2 "ASP " " HA " 1 0 1 1 78.47 4290 + 4291 41 9.827000 10.663000 6.868000 273 D A 2 "ASP " " HB3" 1 0 1 1 86.7 4291 + 4292 41 9.199000 9.975000 5.380000 273 D A 2 "ASP " " HB2" 1 0 1 1 86.7 4292 + 4293 25 11.800000 8.503000 4.902000 274 E A 2 "GLU " " N " 7 0 1 1 85.49 4293 + 4294 3 12.445000 7.202000 5.096000 274 E A 2 "GLU " " CA " 6 0 1 1 82.89 4294 + 4295 2 13.981000 7.305000 5.183000 274 E A 2 "GLU " " C " 6 0 1 1 69.86 4295 + 4296 15 14.596000 6.604000 5.986000 274 E A 2 "GLU " " O " 8 0 1 1 59.99 4296 + 4297 3 12.055000 6.287000 3.913000 274 E A 2 "GLU " " CB " 6 0 1 1 99.1 4297 + 4298 3 10.539000 6.201000 3.619000 274 E A 2 "GLU " " CG " 6 0 1 1 120.74 4298 + 4299 2 10.256000 5.572000 2.255000 274 E A 2 "GLU " " CD " 6 0 1 1 132.09 4299 + 4300 15 10.781000 4.465000 2.008000 274 E A 2 "GLU " " OE1" 8 0 1 1 138.33 4300 + 4301 18 9.533000 6.226000 1.471000 274 E A 2 "GLU " " OE2" 8 -1 1 1 132.31 4301 + 4302 43 11.213000 8.567000 4.082000 274 E A 2 "GLU " " H " 1 0 1 1 85.49 4302 + 4303 41 12.067000 6.774000 6.026000 274 E A 2 "GLU " " HA " 1 0 1 1 82.89 4303 + 4304 41 12.420000 5.280000 4.122000 274 E A 2 "GLU " " HB3" 1 0 1 1 99.1 4304 + 4305 41 12.583000 6.602000 3.012000 274 E A 2 "GLU " " HB2" 1 0 1 1 99.1 4305 + 4306 41 10.071000 7.185000 3.625000 274 E A 2 "GLU " " HG3" 1 0 1 1 120.74 4306 + 4307 41 10.039000 5.618000 4.393000 274 E A 2 "GLU " " HG2" 1 0 1 1 120.74 4307 + 4308 25 14.551000 8.200000 4.358000 275 V A 2 "VAL " " N " 7 0 1 1 62.59 4308 + 4309 3 15.975000 8.507000 4.279000 275 V A 2 "VAL " " CA " 6 0 1 1 57.86 4309 + 4310 2 16.392000 9.503000 5.379000 275 V A 2 "VAL " " C " 6 0 1 1 60.23 4310 + 4311 15 17.423000 9.281000 6.014000 275 V A 2 "VAL " " O " 8 0 1 1 62.84 4311 + 4312 3 16.329000 9.122000 2.892000 275 V A 2 "VAL " " CB " 6 0 1 1 56.32 4312 + 4313 3 17.800000 9.557000 2.747000 275 V A 2 "VAL " " CG1" 6 0 1 1 50.73 4313 + 4314 3 15.959000 8.164000 1.745000 275 V A 2 "VAL " " CG2" 6 0 1 1 56.53 4314 + 4315 43 13.955000 8.750000 3.755000 275 V A 2 "VAL " " H " 1 0 1 1 62.59 4315 + 4316 41 16.546000 7.586000 4.412000 275 V A 2 "VAL " " HA " 1 0 1 1 57.86 4316 + 4317 41 15.729000 10.021000 2.754000 275 V A 2 "VAL " " HB " 1 0 1 1 56.32 4317 + 4318 41 17.978000 10.003000 1.771000 275 V A 2 "VAL " "HG11" 1 0 1 1 50.73 4318 + 4319 41 18.085000 10.308000 3.478000 275 V A 2 "VAL " "HG12" 1 0 1 1 50.73 4319 + 4320 41 18.475000 8.711000 2.862000 275 V A 2 "VAL " "HG13" 1 0 1 1 50.73 4320 + 4321 41 16.143000 8.624000 0.775000 275 V A 2 "VAL " "HG21" 1 0 1 1 56.53 4321 + 4322 41 16.538000 7.242000 1.799000 275 V A 2 "VAL " "HG22" 1 0 1 1 56.53 4322 + 4323 41 14.906000 7.887000 1.769000 275 V A 2 "VAL " "HG23" 1 0 1 1 56.53 4323 + 4324 25 15.583000 10.562000 5.588000 276 A A 2 "ALA " " N " 7 0 1 1 50.95 4324 + 4325 3 15.801000 11.614000 6.586000 276 A A 2 "ALA " " CA " 6 0 1 1 49.06 4325 + 4326 2 15.851000 11.096000 8.025000 276 A A 2 "ALA " " C " 6 0 1 1 45.21 4326 + 4327 15 16.770000 11.464000 8.754000 276 A A 2 "ALA " " O " 8 0 1 1 54.76 4327 + 4328 3 14.744000 12.714000 6.433000 276 A A 2 "ALA " " CB " 6 0 1 1 54.2 4328 + 4329 43 14.760000 10.671000 5.010000 276 A A 2 "ALA " " H " 1 0 1 1 50.95 4329 + 4330 41 16.770000 12.060000 6.392000 276 A A 2 "ALA " " HA " 1 0 1 1 49.06 4330 + 4331 41 14.923000 13.535000 7.129000 276 A A 2 "ALA " " HB1" 1 0 1 1 54.2 4331 + 4332 41 14.762000 13.132000 5.428000 276 A A 2 "ALA " " HB2" 1 0 1 1 54.2 4332 + 4333 41 13.739000 12.334000 6.618000 276 A A 2 "ALA " " HB3" 1 0 1 1 54.2 4333 + 4334 25 14.916000 10.193000 8.367000 277 L A 2 "LEU " " N " 7 0 1 1 41.89 4334 + 4335 3 14.879000 9.438000 9.620000 277 L A 2 "LEU " " CA " 6 0 1 1 54.83 4335 + 4336 2 16.165000 8.645000 9.888000 277 L A 2 "LEU " " C " 6 0 1 1 54.83 4336 + 4337 15 16.572000 8.575000 11.044000 277 L A 2 "LEU " " O " 8 0 1 1 47.07 4337 + 4338 3 13.670000 8.473000 9.606000 277 L A 2 "LEU " " CB " 6 0 1 1 60.53 4338 + 4339 3 12.340000 9.134000 10.021000 277 L A 2 "LEU " " CG " 6 0 1 1 70.53 4339 + 4340 3 11.138000 8.230000 9.685000 277 L A 2 "LEU " " CD1" 6 0 1 1 80.72 4340 + 4341 3 12.351000 9.545000 11.506000 277 L A 2 "LEU " " CD2" 6 0 1 1 69.32 4341 + 4342 43 14.195000 9.959000 7.695000 277 L A 2 "LEU " " H " 1 0 1 1 41.89 4342 + 4343 41 14.771000 10.156000 10.434000 277 L A 2 "LEU " " HA " 1 0 1 1 54.83 4343 + 4344 41 13.842000 7.630000 10.279000 277 L A 2 "LEU " " HB3" 1 0 1 1 60.53 4344 + 4345 41 13.584000 8.029000 8.613000 277 L A 2 "LEU " " HB2" 1 0 1 1 60.53 4345 + 4346 41 12.222000 10.041000 9.428000 277 L A 2 "LEU " " HG " 1 0 1 1 70.53 4346 + 4347 41 10.361000 8.798000 9.172000 277 L A 2 "LEU " "HD11" 1 0 1 1 80.72 4347 + 4348 41 11.414000 7.403000 9.030000 277 L A 2 "LEU " "HD12" 1 0 1 1 80.72 4348 + 4349 41 10.687000 7.788000 10.574000 277 L A 2 "LEU " "HD13" 1 0 1 1 80.72 4349 + 4350 41 11.395000 9.366000 11.997000 277 L A 2 "LEU " "HD21" 1 0 1 1 69.32 4350 + 4351 41 13.118000 9.019000 12.075000 277 L A 2 "LEU " "HD22" 1 0 1 1 69.32 4351 + 4352 41 12.555000 10.609000 11.601000 277 L A 2 "LEU " "HD23" 1 0 1 1 69.32 4352 + 4353 25 16.780000 8.088000 8.830000 278 Q A 2 "GLN " " N " 7 0 1 1 48.81 4353 + 4354 3 17.986000 7.269000 8.921000 278 Q A 2 "GLN " " CA " 6 0 1 1 44.46 4354 + 4355 2 19.264000 8.108000 9.101000 278 Q A 2 "GLN " " C " 6 0 1 1 49.13 4355 + 4356 15 20.181000 7.654000 9.786000 278 Q A 2 "GLN " " O " 8 0 1 1 48.05 4356 + 4357 3 18.073000 6.359000 7.672000 278 Q A 2 "GLN " " CB " 6 0 1 1 41.09 4357 + 4358 3 18.549000 4.925000 7.977000 278 Q A 2 "GLN " " CG " 6 0 1 1 57.27 4358 + 4359 2 17.653000 4.194000 8.979000 278 Q A 2 "GLN " " CD " 6 0 1 1 53.96 4359 + 4360 15 18.138000 3.675000 9.981000 278 Q A 2 "GLN " " OE1" 8 0 1 1 49.77 4360 + 4361 25 16.343000 4.159000 8.722000 278 Q A 2 "GLN " " NE2" 7 0 1 1 58.64 4361 + 4362 43 16.394000 8.217000 7.905000 278 Q A 2 "GLN " " H " 1 0 1 1 48.81 4362 + 4363 41 17.883000 6.659000 9.816000 278 Q A 2 "GLN " " HA " 1 0 1 1 44.46 4363 + 4364 41 18.728000 6.803000 6.923000 278 Q A 2 "GLN " " HB3" 1 0 1 1 41.09 4364 + 4365 41 17.100000 6.300000 7.180000 278 Q A 2 "GLN " " HB2" 1 0 1 1 41.09 4365 + 4366 41 19.567000 4.949000 8.367000 278 Q A 2 "GLN " " HG3" 1 0 1 1 57.27 4366 + 4367 41 18.578000 4.340000 7.059000 278 Q A 2 "GLN " " HG2" 1 0 1 1 57.27 4367 + 4368 43 15.717000 3.696000 9.365000 278 Q A 2 "GLN " "HE22" 1 0 1 1 58.64 4368 + 4369 43 15.969000 4.603000 7.896000 278 Q A 2 "GLN " "HE21" 1 0 1 1 58.64 4369 + 4370 25 19.285000 9.325000 8.527000 279 G A 2 "GLY " " N " 7 0 1 1 46.05 4370 + 4371 3 20.359000 10.298000 8.718000 279 G A 2 "GLY " " CA " 6 0 1 1 52.76 4371 + 4372 2 20.321000 10.871000 10.143000 279 G A 2 "GLY " " C " 6 0 1 1 60.5 4372 + 4373 15 21.376000 11.045000 10.748000 279 G A 2 "GLY " " O " 8 0 1 1 65.38 4373 + 4374 43 18.494000 9.617000 7.969000 279 G A 2 "GLY " " H " 1 0 1 1 46.05 4374 + 4375 41 20.227000 11.111000 8.004000 279 G A 2 "GLY " " HA3" 1 0 1 1 52.76 4375 + 4376 41 21.330000 9.843000 8.514000 279 G A 2 "GLY " " HA2" 1 0 1 1 52.76 4376 + 4377 25 19.117000 11.134000 10.686000 280 I A 2 "ILE " " N " 7 0 1 1 57.77 4377 + 4378 3 18.900000 11.619000 12.054000 280 I A 2 "ILE " " CA " 6 0 1 1 57.9 4378 + 4379 2 19.267000 10.547000 13.104000 280 I A 2 "ILE " " C " 6 0 1 1 63.18 4379 + 4380 15 19.967000 10.864000 14.067000 280 I A 2 "ILE " " O " 8 0 1 1 67.24 4380 + 4381 3 17.425000 12.086000 12.275000 280 I A 2 "ILE " " CB " 6 0 1 1 54.72 4381 + 4382 3 17.082000 13.321000 11.408000 280 I A 2 "ILE " " CG1" 6 0 1 1 63.54 4382 + 4383 3 17.067000 12.394000 13.744000 280 I A 2 "ILE " " CG2" 6 0 1 1 46.87 4383 + 4384 3 15.573000 13.574000 11.253000 280 I A 2 "ILE " " CD1" 6 0 1 1 61.22 4384 + 4385 43 18.284000 10.985000 10.133000 280 I A 2 "ILE " " H " 1 0 1 1 57.77 4385 + 4386 41 19.557000 12.477000 12.213000 280 I A 2 "ILE " " HA " 1 0 1 1 57.9 4386 + 4387 41 16.777000 11.271000 11.947000 280 I A 2 "ILE " " HB " 1 0 1 1 54.72 4387 + 4388 41 17.504000 13.225000 10.412000 280 I A 2 "ILE " "HG13" 1 0 1 1 63.54 4388 + 4389 41 17.555000 14.207000 11.833000 280 I A 2 "ILE " "HG12" 1 0 1 1 63.54 4389 + 4390 41 16.048000 12.764000 13.829000 280 I A 2 "ILE " "HG21" 1 0 1 1 46.87 4390 + 4391 41 17.126000 11.519000 14.391000 280 I A 2 "ILE " "HG22" 1 0 1 1 46.87 4391 + 4392 41 17.728000 13.161000 14.146000 280 I A 2 "ILE " "HG23" 1 0 1 1 46.87 4392 + 4393 41 15.367000 14.153000 10.352000 280 I A 2 "ILE " "HD11" 1 0 1 1 61.22 4393 + 4394 41 15.011000 12.643000 11.177000 280 I A 2 "ILE " "HD12" 1 0 1 1 61.22 4394 + 4395 41 15.177000 14.135000 12.099000 280 I A 2 "ILE " "HD13" 1 0 1 1 61.22 4395 + 4396 25 18.828000 9.300000 12.857000 281 E A 2 "GLU " " N " 7 0 1 1 73.02 4396 + 4397 3 19.129000 8.082000 13.618000 281 E A 2 "GLU " " CA " 6 0 1 1 74.93 4397 + 4398 2 20.639000 7.815000 13.780000 281 E A 2 "GLU " " C " 6 0 1 1 67.65 4398 + 4399 15 21.053000 7.369000 14.850000 281 E A 2 "GLU " " O " 8 0 1 1 58.83 4399 + 4400 3 18.395000 6.909000 12.923000 281 E A 2 "GLU " " CB " 6 0 1 1 92.27 4400 + 4401 3 18.708000 5.475000 13.380000 281 E A 2 "GLU " " CG " 6 0 1 1 113.49 4401 + 4402 2 18.192000 5.126000 14.773000 281 E A 2 "GLU " " CD " 6 0 1 1 125.25 4402 + 4403 15 16.955000 5.171000 14.947000 281 E A 2 "GLU " " OE1" 8 0 1 1 133.06 4403 + 4404 18 19.038000 4.780000 15.624000 281 E A 2 "GLU " " OE2" 8 -1 1 1 131.87 4404 + 4405 43 18.238000 9.153000 12.048000 281 E A 2 "GLU " " H " 1 0 1 1 73.02 4405 + 4406 41 18.708000 8.202000 14.617000 281 E A 2 "GLU " " HA " 1 0 1 1 74.93 4406 + 4407 41 18.616000 6.955000 11.860000 281 E A 2 "GLU " " HB3" 1 0 1 1 92.27 4407 + 4408 41 17.320000 7.067000 13.008000 281 E A 2 "GLU " " HB2" 1 0 1 1 92.27 4408 + 4409 41 19.779000 5.309000 13.338000 281 E A 2 "GLU " " HG3" 1 0 1 1 113.49 4409 + 4410 41 18.262000 4.770000 12.678000 281 E A 2 "GLU " " HG2" 1 0 1 1 113.49 4410 + 4411 25 21.430000 8.115000 12.732000 282 F A 2 "PHE " " N " 7 0 1 1 63.31 4411 + 4412 3 22.888000 7.980000 12.723000 282 F A 2 "PHE " " CA " 6 0 1 1 60.31 4412 + 4413 2 23.563000 8.827000 13.810000 282 F A 2 "PHE " " C " 6 0 1 1 57.48 4413 + 4414 15 24.290000 8.272000 14.630000 282 F A 2 "PHE " " O " 8 0 1 1 46.44 4414 + 4415 3 23.437000 8.271000 11.308000 282 F A 2 "PHE " " CB " 6 0 1 1 57.34 4415 + 4416 2 24.947000 8.193000 11.154000 282 F A 2 "PHE " " CG " 6 0 1 1 55.11 4416 + 4417 2 25.561000 6.961000 10.849000 282 F A 2 "PHE " " CD1" 6 0 1 1 56.67 4417 + 4418 2 25.761000 9.306000 11.461000 282 F A 2 "PHE " " CD2" 6 0 1 1 57.6 4418 + 4419 2 26.946000 6.877000 10.771000 282 F A 2 "PHE " " CE1" 6 0 1 1 59.5 4419 + 4420 2 27.142000 9.198000 11.397000 282 F A 2 "PHE " " CE2" 6 0 1 1 65.5 4420 + 4421 2 27.731000 7.992000 11.036000 282 F A 2 "PHE " " CZ " 6 0 1 1 50.77 4421 + 4422 43 21.010000 8.468000 11.883000 282 F A 2 "PHE " " H " 1 0 1 1 63.31 4422 + 4423 41 23.120000 6.940000 12.956000 282 F A 2 "PHE " " HA " 1 0 1 1 60.31 4423 + 4424 41 23.121000 9.259000 10.979000 282 F A 2 "PHE " " HB3" 1 0 1 1 57.34 4424 + 4425 41 22.992000 7.570000 10.600000 282 F A 2 "PHE " " HB2" 1 0 1 1 57.34 4425 + 4426 41 24.959000 6.085000 10.657000 282 F A 2 "PHE " " HD1" 1 0 1 1 56.67 4426 + 4427 41 25.313000 10.247000 11.742000 282 F A 2 "PHE " " HD2" 1 0 1 1 57.6 4427 + 4428 41 27.415000 5.939000 10.513000 282 F A 2 "PHE " " HE1" 1 0 1 1 59.5 4428 + 4429 41 27.757000 10.054000 11.630000 282 F A 2 "PHE " " HE2" 1 0 1 1 65.5 4429 + 4430 41 28.807000 7.917000 10.983000 282 F A 2 "PHE " " HZ " 1 0 1 1 50.77 4430 + 4431 25 23.280000 10.140000 13.809000 283 W A 2 "TRP " " N " 7 0 1 1 49.39 4431 + 4432 3 23.814000 11.097000 14.780000 283 W A 2 "TRP " " CA " 6 0 1 1 54.71 4432 + 4433 2 23.253000 10.942000 16.198000 283 W A 2 "TRP " " C " 6 0 1 1 63.66 4433 + 4434 15 23.962000 11.274000 17.147000 283 W A 2 "TRP " " O " 8 0 1 1 69.04 4434 + 4435 3 23.626000 12.526000 14.257000 283 W A 2 "TRP " " CB " 6 0 1 1 49.29 4435 + 4436 2 24.486000 12.836000 13.074000 283 W A 2 "TRP " " CG " 6 0 1 1 52.28 4436 + 4437 2 24.096000 12.857000 11.780000 283 W A 2 "TRP " " CD1" 6 0 1 1 53.07 4437 + 4438 2 25.921000 13.087000 13.068000 283 W A 2 "TRP " " CD2" 6 0 1 1 55.11 4438 + 4439 25 25.189000 13.102000 10.976000 283 W A 2 "TRP " " NE1" 7 0 1 1 44.99 4439 + 4440 2 26.343000 13.254000 11.716000 283 W A 2 "TRP " " CE2" 6 0 1 1 55.63 4440 + 4441 2 26.913000 13.182000 14.072000 283 W A 2 "TRP " " CE3" 6 0 1 1 55.51 4441 + 4442 2 27.682000 13.500000 11.374000 283 W A 2 "TRP " " CZ2" 6 0 1 1 57.45 4442 + 4443 2 28.258000 13.434000 13.742000 283 W A 2 "TRP " " CZ3" 6 0 1 1 58.5 4443 + 4444 2 28.644000 13.594000 12.398000 283 W A 2 "TRP " " CH2" 6 0 1 1 50.8 4444 + 4445 43 22.658000 10.515000 13.108000 283 W A 2 "TRP " " H " 1 0 1 1 49.39 4445 + 4446 41 24.887000 10.916000 14.864000 283 W A 2 "TRP " " HA " 1 0 1 1 54.71 4446 + 4447 41 23.886000 13.247000 15.033000 283 W A 2 "TRP " " HB3" 1 0 1 1 49.29 4447 + 4448 41 22.580000 12.712000 14.007000 283 W A 2 "TRP " " HB2" 1 0 1 1 49.29 4448 + 4449 41 23.084000 12.701000 11.443000 283 W A 2 "TRP " " HD1" 1 0 1 1 53.07 4449 + 4450 43 25.134000 13.126000 9.966000 283 W A 2 "TRP " " HE1" 1 0 1 1 44.99 4450 + 4451 41 26.634000 13.060000 15.109000 283 W A 2 "TRP " " HE3" 1 0 1 1 55.51 4451 + 4452 41 27.964000 13.611000 10.338000 283 W A 2 "TRP " " HZ2" 1 0 1 1 57.45 4452 + 4453 41 28.995000 13.501000 14.526000 283 W A 2 "TRP " " HZ3" 1 0 1 1 58.5 4453 + 4454 41 29.679000 13.787000 12.159000 283 W A 2 "TRP " " HH2" 1 0 1 1 50.8 4454 + 4455 25 22.035000 10.392000 16.325000 284 S A 2 "SER " " N " 7 0 1 1 68.63 4455 + 4456 3 21.447000 10.004000 17.607000 284 S A 2 "SER " " CA " 6 0 1 1 66.58 4456 + 4457 2 22.235000 8.861000 18.278000 284 S A 2 "SER " " C " 6 0 1 1 66.65 4457 + 4458 15 22.414000 8.908000 19.494000 284 S A 2 "SER " " O " 8 0 1 1 72.17 4458 + 4459 3 19.966000 9.635000 17.410000 284 S A 2 "SER " " CB " 6 0 1 1 68.09 4459 + 4460 16 19.213000 10.783000 17.072000 284 S A 2 "SER " " OG " 8 0 1 1 84.72 4460 + 4461 43 21.507000 10.153000 15.497000 284 S A 2 "SER " " H " 1 0 1 1 68.63 4461 + 4462 41 21.497000 10.866000 18.277000 284 S A 2 "SER " " HA " 1 0 1 1 66.58 4462 + 4463 41 19.550000 9.220000 18.329000 284 S A 2 "SER " " HB3" 1 0 1 1 68.09 4463 + 4464 41 19.841000 8.876000 16.639000 284 S A 2 "SER " " HB2" 1 0 1 1 68.09 4464 + 4465 42 19.466000 11.061000 16.186000 284 S A 2 "SER " " HG " 1 0 1 1 84.72 4465 + 4466 25 22.755000 7.911000 17.473000 285 N A 2 "ASN " " N " 7 0 1 1 60.38 4466 + 4467 3 23.672000 6.855000 17.920000 285 N A 2 "ASN " " CA " 6 0 1 1 58.54 4467 + 4468 2 25.085000 7.381000 18.209000 285 N A 2 "ASN " " C " 6 0 1 1 66.25 4468 + 4469 15 25.685000 6.883000 19.158000 285 N A 2 "ASN " " O " 8 0 1 1 66.16 4469 + 4470 3 23.727000 5.697000 16.893000 285 N A 2 "ASN " " CB " 6 0 1 1 59.42 4470 + 4471 2 22.507000 4.773000 16.907000 285 N A 2 "ASN " " CG " 6 0 1 1 67.31 4471 + 4472 15 21.523000 5.017000 17.602000 285 N A 2 "ASN " " OD1" 8 0 1 1 71.63 4472 + 4473 25 22.577000 3.682000 16.143000 285 N A 2 "ASN " " ND2" 7 0 1 1 67.71 4473 + 4474 43 22.552000 7.931000 16.483000 285 N A 2 "ASN " " H " 1 0 1 1 60.38 4474 + 4475 41 23.247000 6.473000 18.852000 285 N A 2 "ASN " " HA " 1 0 1 1 58.54 4475 + 4476 41 24.583000 5.058000 17.121000 285 N A 2 "ASN " " HB3" 1 0 1 1 59.42 4476 + 4477 41 23.891000 6.070000 15.883000 285 N A 2 "ASN " " HB2" 1 0 1 1 59.42 4477 + 4478 43 21.787000 3.054000 16.110000 285 N A 2 "ASN " "HD22" 1 0 1 1 67.71 4478 + 4479 43 23.388000 3.498000 15.570000 285 N A 2 "ASN " "HD21" 1 0 1 1 67.71 4479 + 4480 25 25.589000 8.376000 17.448000 286 V A 2 "VAL " " N " 7 0 1 1 65.03 4480 + 4481 3 26.873000 9.035000 17.739000 286 V A 2 "VAL " " CA " 6 0 1 1 49.52 4481 + 4482 2 26.855000 9.719000 19.123000 286 V A 2 "VAL " " C " 6 0 1 1 52.14 4482 + 4483 15 27.831000 9.585000 19.857000 286 V A 2 "VAL " " O " 8 0 1 1 61.01 4483 + 4484 3 27.290000 10.094000 16.671000 286 V A 2 "VAL " " CB " 6 0 1 1 46.18 4484 + 4485 3 28.564000 10.894000 17.020000 286 V A 2 "VAL " " CG1" 6 0 1 1 48.59 4485 + 4486 3 27.504000 9.464000 15.288000 286 V A 2 "VAL " " CG2" 6 0 1 1 57.06 4486 + 4487 43 25.055000 8.735000 16.668000 286 V A 2 "VAL " " H " 1 0 1 1 65.03 4487 + 4488 41 27.639000 8.257000 17.762000 286 V A 2 "VAL " " HA " 1 0 1 1 49.52 4488 + 4489 41 26.480000 10.816000 16.576000 286 V A 2 "VAL " " HB " 1 0 1 1 46.18 4489 + 4490 41 28.815000 11.579000 16.212000 286 V A 2 "VAL " "HG11" 1 0 1 1 48.59 4490 + 4491 41 28.452000 11.503000 17.914000 286 V A 2 "VAL " "HG12" 1 0 1 1 48.59 4491 + 4492 41 29.417000 10.233000 17.176000 286 V A 2 "VAL " "HG13" 1 0 1 1 48.59 4492 + 4493 41 27.705000 10.222000 14.530000 286 V A 2 "VAL " "HG21" 1 0 1 1 57.06 4493 + 4494 41 28.353000 8.783000 15.307000 286 V A 2 "VAL " "HG22" 1 0 1 1 57.06 4494 + 4495 41 26.638000 8.900000 14.955000 286 V A 2 "VAL " "HG23" 1 0 1 1 57.06 4495 + 4496 25 25.728000 10.371000 19.470000 287 C A 2 "CYS " " N " 7 0 1 1 53.81 4496 + 4497 3 25.477000 10.969000 20.783000 287 C A 2 "CYS " " CA " 6 0 1 1 60.13 4497 + 4498 2 25.517000 9.932000 21.913000 287 C A 2 "CYS " " C " 6 0 1 1 68.41 4498 + 4499 15 26.280000 10.138000 22.852000 287 C A 2 "CYS " " O " 8 0 1 1 81.97 4499 + 4500 3 24.152000 11.751000 20.850000 287 C A 2 "CYS " " CB " 6 0 1 1 54.64 4500 + 4501 49 24.307000 13.296000 19.928000 287 C A 2 "CYS " " SG " 16 0 1 1 72.49 4501 + 4502 43 24.973000 10.442000 18.801000 287 C A 2 "CYS " " H " 1 0 1 1 53.81 4502 + 4503 41 26.293000 11.670000 20.970000 287 C A 2 "CYS " " HA " 1 0 1 1 60.13 4503 + 4504 41 23.894000 12.007000 21.879000 287 C A 2 "CYS " " HB3" 1 0 1 1 54.64 4504 + 4505 41 23.322000 11.172000 20.448000 287 C A 2 "CYS " " HB2" 1 0 1 1 54.64 4505 + 4506 41 25.212000 13.848000 20.742000 287 C A 2 "CYS " " HG " 1 0 1 1 72.49 4506 + 4507 25 24.750000 8.832000 21.784000 288 D A 2 "ASP " " N " 7 0 1 1 71.62 4507 + 4508 3 24.747000 7.700000 22.725000 288 D A 2 "ASP " " CA " 6 0 1 1 70.08 4508 + 4509 2 26.148000 7.129000 22.998000 288 D A 2 "ASP " " C " 6 0 1 1 71.44 4509 + 4510 15 26.514000 7.003000 24.165000 288 D A 2 "ASP " " O " 8 0 1 1 77.82 4510 + 4511 3 23.767000 6.567000 22.335000 288 D A 2 "ASP " " CB " 6 0 1 1 79.4 4511 + 4512 2 22.303000 7.002000 22.220000 288 D A 2 "ASP " " CG " 6 0 1 1 85.52 4512 + 4513 15 21.866000 7.783000 23.093000 288 D A 2 "ASP " " OD1" 8 0 1 1 83.9 4513 + 4514 18 21.616000 6.465000 21.324000 288 D A 2 "ASP " " OD2" 8 -1 1 1 85.91 4514 + 4515 43 24.144000 8.737000 20.980000 288 D A 2 "ASP " " H " 1 0 1 1 71.62 4515 + 4516 41 24.403000 8.108000 23.678000 288 D A 2 "ASP " " HA " 1 0 1 1 70.08 4516 + 4517 41 23.823000 5.742000 23.046000 288 D A 2 "ASP " " HB3" 1 0 1 1 79.4 4517 + 4518 41 24.075000 6.166000 21.367000 288 D A 2 "ASP " " HB2" 1 0 1 1 79.4 4518 + 4519 25 26.922000 6.879000 21.927000 289 E A 2 "GLU " " N " 7 0 1 1 69.25 4519 + 4520 3 28.316000 6.438000 21.993000 289 E A 2 "GLU " " CA " 6 0 1 1 65.32 4520 + 4521 2 29.238000 7.426000 22.726000 289 E A 2 "GLU " " C " 6 0 1 1 58.64 4521 + 4522 15 29.937000 7.007000 23.645000 289 E A 2 "GLU " " O " 8 0 1 1 57.97 4522 + 4523 3 28.852000 6.146000 20.573000 289 E A 2 "GLU " " CB " 6 0 1 1 70.54 4523 + 4524 3 28.240000 4.910000 19.882000 289 E A 2 "GLU " " CG " 6 0 1 1 87.26 4524 + 4525 2 28.560000 3.600000 20.598000 289 E A 2 "GLU " " CD " 6 0 1 1 97.05 4525 + 4526 15 29.765000 3.351000 20.825000 289 E A 2 "GLU " " OE1" 8 0 1 1 96.27 4526 + 4527 18 27.591000 2.871000 20.901000 289 E A 2 "GLU " " OE2" 8 -1 1 1 104.4 4527 + 4528 43 26.541000 7.013000 20.999000 289 E A 2 "GLU " " H " 1 0 1 1 69.25 4528 + 4529 41 28.334000 5.514000 22.574000 289 E A 2 "GLU " " HA " 1 0 1 1 65.32 4529 + 4530 41 29.936000 6.026000 20.612000 289 E A 2 "GLU " " HB3" 1 0 1 1 70.54 4530 + 4531 41 28.683000 7.013000 19.934000 289 E A 2 "GLU " " HB2" 1 0 1 1 70.54 4531 + 4532 41 28.612000 4.838000 18.860000 289 E A 2 "GLU " " HG3" 1 0 1 1 87.26 4532 + 4533 41 27.160000 5.006000 19.808000 289 E A 2 "GLU " " HG2" 1 0 1 1 87.26 4533 + 4534 25 29.214000 8.709000 22.330000 290 E A 2 "GLU " " N " 7 0 1 1 56.84 4534 + 4535 3 30.077000 9.759000 22.882000 290 E A 2 "GLU " " CA " 6 0 1 1 60.2 4535 + 4536 2 29.760000 10.170000 24.329000 290 E A 2 "GLU " " C " 6 0 1 1 63.8 4536 + 4537 15 30.677000 10.612000 25.021000 290 E A 2 "GLU " " O " 8 0 1 1 62.4 4537 + 4538 3 30.121000 10.964000 21.927000 290 E A 2 "GLU " " CB " 6 0 1 1 42.36 4538 + 4539 3 30.864000 10.593000 20.632000 290 E A 2 "GLU " " CG " 6 0 1 1 46.25 4539 + 4540 2 31.037000 11.726000 19.628000 290 E A 2 "GLU " " CD " 6 0 1 1 53.99 4540 + 4541 15 30.435000 12.806000 19.804000 290 E A 2 "GLU " " OE1" 8 0 1 1 49.09 4541 + 4542 18 31.801000 11.477000 18.672000 290 E A 2 "GLU " " OE2" 8 -1 1 1 52.21 4542 + 4543 43 28.604000 8.987000 21.571000 290 E A 2 "GLU " " H " 1 0 1 1 56.84 4543 + 4544 41 31.087000 9.350000 22.916000 290 E A 2 "GLU " " HA " 1 0 1 1 60.2 4544 + 4545 41 30.619000 11.809000 22.406000 290 E A 2 "GLU " " HB3" 1 0 1 1 42.36 4545 + 4546 41 29.106000 11.294000 21.696000 290 E A 2 "GLU " " HB2" 1 0 1 1 42.36 4546 + 4547 41 30.360000 9.773000 20.125000 290 E A 2 "GLU " " HG3" 1 0 1 1 46.25 4547 + 4548 41 31.857000 10.224000 20.890000 290 E A 2 "GLU " " HG2" 1 0 1 1 46.25 4548 + 4549 25 28.509000 9.971000 24.776000 291 M A 2 "MET " " N " 7 0 1 1 68.33 4549 + 4550 3 28.101000 10.124000 26.173000 291 M A 2 "MET " " CA " 6 0 1 1 71.37 4550 + 4551 2 28.616000 8.973000 27.050000 291 M A 2 "MET " " C " 6 0 1 1 75.41 4551 + 4552 15 29.180000 9.249000 28.107000 291 M A 2 "MET " " O " 8 0 1 1 80.5 4552 + 4553 3 26.572000 10.242000 26.280000 291 M A 2 "MET " " CB " 6 0 1 1 70.71 4553 + 4554 3 26.030000 11.594000 25.794000 291 M A 2 "MET " " CG " 6 0 1 1 89.8 4554 + 4555 49 24.269000 11.884000 26.116000 291 M A 2 "MET " " SD " 16 0 1 1 94.7 4555 + 4556 3 23.507000 10.456000 25.305000 291 M A 2 "MET " " CE " 6 0 1 1 100.05 4556 + 4557 43 27.801000 9.629000 24.138000 291 M A 2 "MET " " H " 1 0 1 1 68.33 4557 + 4558 41 28.541000 11.045000 26.563000 291 M A 2 "MET " " HA " 1 0 1 1 71.37 4558 + 4559 41 26.258000 10.103000 27.316000 291 M A 2 "MET " " HB3" 1 0 1 1 70.71 4559 + 4560 41 26.114000 9.429000 25.716000 291 M A 2 "MET " " HB2" 1 0 1 1 70.71 4560 + 4561 41 26.217000 11.732000 24.733000 291 M A 2 "MET " " HG3" 1 0 1 1 89.8 4561 + 4562 41 26.577000 12.388000 26.300000 291 M A 2 "MET " " HG2" 1 0 1 1 89.8 4562 + 4563 41 22.428000 10.492000 25.440000 291 M A 2 "MET " " HE1" 1 0 1 1 100.05 4563 + 4564 41 23.725000 10.460000 24.238000 291 M A 2 "MET " " HE2" 1 0 1 1 100.05 4564 + 4565 41 23.860000 9.520000 25.736000 291 M A 2 "MET " " HE3" 1 0 1 1 100.05 4565 + 4566 25 28.455000 7.719000 26.587000 292 D A 2 "ASP " " N " 7 0 1 1 73.79 4566 + 4567 3 28.998000 6.518000 27.240000 292 D A 2 "ASP " " CA " 6 0 1 1 73.78 4567 + 4568 2 30.538000 6.503000 27.311000 292 D A 2 "ASP " " C " 6 0 1 1 75.46 4568 + 4569 15 31.079000 6.031000 28.310000 292 D A 2 "ASP " " O " 8 0 1 1 85.5 4569 + 4570 3 28.465000 5.195000 26.636000 292 D A 2 "ASP " " CB " 6 0 1 1 77.56 4570 + 4571 2 26.941000 5.029000 26.688000 292 D A 2 "ASP " " CG " 6 0 1 1 92.85 4571 + 4572 15 26.332000 5.526000 27.662000 292 D A 2 "ASP " " OD1" 8 0 1 1 101.96 4572 + 4573 18 26.418000 4.321000 25.800000 292 D A 2 "ASP " " OD2" 8 -1 1 1 100.57 4573 + 4574 43 27.961000 7.564000 25.718000 292 D A 2 "ASP " " H " 1 0 1 1 73.79 4574 + 4575 41 28.657000 6.556000 28.276000 292 D A 2 "ASP " " HA " 1 0 1 1 73.78 4575 + 4576 41 28.916000 4.337000 27.137000 292 D A 2 "ASP " " HB3" 1 0 1 1 77.56 4576 + 4577 41 28.770000 5.155000 25.589000 292 D A 2 "ASP " " HB2" 1 0 1 1 77.56 4577 + 4578 25 31.209000 7.061000 26.289000 293 L A 2 "LEU " " N " 7 0 1 1 76.42 4578 + 4579 3 32.660000 7.263000 26.252000 293 L A 2 "LEU " " CA " 6 0 1 1 63.61 4579 + 4580 2 33.137000 8.347000 27.229000 293 L A 2 "LEU " " C " 6 0 1 1 61.87 4580 + 4581 15 34.172000 8.151000 27.862000 293 L A 2 "LEU " " O " 8 0 1 1 60.84 4581 + 4582 3 33.100000 7.629000 24.822000 293 L A 2 "LEU " " CB " 6 0 1 1 61.17 4582 + 4583 3 33.158000 6.433000 23.854000 293 L A 2 "LEU " " CG " 6 0 1 1 47.82 4583 + 4584 3 33.182000 6.908000 22.389000 293 L A 2 "LEU " " CD1" 6 0 1 1 54.45 4584 + 4585 3 34.329000 5.483000 24.187000 293 L A 2 "LEU " " CD2" 6 0 1 1 52.67 4585 + 4586 43 30.693000 7.386000 25.482000 293 L A 2 "LEU " " H " 1 0 1 1 76.42 4586 + 4587 41 33.142000 6.328000 26.546000 293 L A 2 "LEU " " HA " 1 0 1 1 63.61 4587 + 4588 41 34.088000 8.094000 24.835000 293 L A 2 "LEU " " HB3" 1 0 1 1 61.17 4588 + 4589 41 32.422000 8.393000 24.445000 293 L A 2 "LEU " " HB2" 1 0 1 1 61.17 4589 + 4590 41 32.238000 5.862000 23.979000 293 L A 2 "LEU " " HG " 1 0 1 1 47.82 4590 + 4591 41 32.430000 6.381000 21.800000 293 L A 2 "LEU " "HD11" 1 0 1 1 54.45 4591 + 4592 41 32.972000 7.972000 22.289000 293 L A 2 "LEU " "HD12" 1 0 1 1 54.45 4592 + 4593 41 34.150000 6.736000 21.921000 293 L A 2 "LEU " "HD13" 1 0 1 1 54.45 4593 + 4594 41 34.983000 5.297000 23.335000 293 L A 2 "LEU " "HD21" 1 0 1 1 52.67 4594 + 4595 41 34.961000 5.869000 24.988000 293 L A 2 "LEU " "HD22" 1 0 1 1 52.67 4595 + 4596 41 33.956000 4.513000 24.518000 293 L A 2 "LEU " "HD23" 1 0 1 1 52.67 4596 + 4597 25 32.381000 9.454000 27.353000 294 A A 2 "ALA " " N " 7 0 1 1 61.49 4597 + 4598 3 32.648000 10.523000 28.320000 294 A A 2 "ALA " " CA " 6 0 1 1 69.11 4598 + 4599 2 32.470000 10.068000 29.780000 294 A A 2 "ALA " " C " 6 0 1 1 74.67 4599 + 4600 15 33.195000 10.550000 30.650000 294 A A 2 "ALA " " O " 8 0 1 1 84.55 4600 + 4601 3 31.758000 11.735000 28.008000 294 A A 2 "ALA " " CB " 6 0 1 1 66.84 4601 + 4602 43 31.549000 9.560000 26.788000 294 A A 2 "ALA " " H " 1 0 1 1 61.49 4602 + 4603 41 33.688000 10.833000 28.195000 294 A A 2 "ALA " " HA " 1 0 1 1 69.11 4603 + 4604 41 31.941000 12.551000 28.708000 294 A A 2 "ALA " " HB1" 1 0 1 1 66.84 4604 + 4605 41 31.955000 12.116000 27.006000 294 A A 2 "ALA " " HB2" 1 0 1 1 66.84 4605 + 4606 41 30.699000 11.483000 28.065000 294 A A 2 "ALA " " HB3" 1 0 1 1 66.84 4606 + 4607 25 31.550000 9.116000 30.004000 295 I A 2 "ILE " " N " 7 0 1 1 75.11 4607 + 4608 3 31.331000 8.440000 31.280000 295 I A 2 "ILE " " CA " 6 0 1 1 73.18 4608 + 4609 2 32.474000 7.457000 31.616000 295 I A 2 "ILE " " C " 6 0 1 1 71.65 4609 + 4610 15 32.960000 7.502000 32.744000 295 I A 2 "ILE " " O " 8 0 1 1 76.75 4610 + 4611 3 29.941000 7.736000 31.313000 295 I A 2 "ILE " " CB " 6 0 1 1 72.84 4611 + 4612 3 28.808000 8.788000 31.376000 295 I A 2 "ILE " " CG1" 6 0 1 1 78.89 4612 + 4613 3 29.750000 6.694000 32.435000 295 I A 2 "ILE " " CG2" 6 0 1 1 74.34 4613 + 4614 3 27.427000 8.244000 30.977000 295 I A 2 "ILE " " CD1" 6 0 1 1 76.17 4614 + 4615 43 30.978000 8.795000 29.234000 295 I A 2 "ILE " " H " 1 0 1 1 75.11 4615 + 4616 41 31.330000 9.204000 32.060000 295 I A 2 "ILE " " HA " 1 0 1 1 73.18 4616 + 4617 41 29.829000 7.203000 30.368000 295 I A 2 "ILE " " HB " 1 0 1 1 72.84 4617 + 4618 41 29.037000 9.634000 30.729000 295 I A 2 "ILE " "HG13" 1 0 1 1 78.89 4618 + 4619 41 28.757000 9.202000 32.383000 295 I A 2 "ILE " "HG12" 1 0 1 1 78.89 4619 + 4620 41 28.728000 6.317000 32.463000 295 I A 2 "ILE " "HG21" 1 0 1 1 74.34 4620 + 4621 41 30.386000 5.824000 32.281000 295 I A 2 "ILE " "HG22" 1 0 1 1 74.34 4621 + 4622 41 29.975000 7.114000 33.416000 295 I A 2 "ILE " "HG23" 1 0 1 1 74.34 4622 + 4623 41 26.833000 9.017000 30.489000 295 I A 2 "ILE " "HD11" 1 0 1 1 76.17 4623 + 4624 41 27.503000 7.408000 30.282000 295 I A 2 "ILE " "HD12" 1 0 1 1 76.17 4624 + 4625 41 26.872000 7.902000 31.851000 295 I A 2 "ILE " "HD13" 1 0 1 1 76.17 4625 + 4626 25 32.934000 6.655000 30.634000 296 E A 2 "GLU " " N " 7 0 1 1 72.44 4626 + 4627 3 34.111000 5.778000 30.758000 296 E A 2 "GLU " " CA " 6 0 1 1 75.79 4627 + 4628 2 35.403000 6.560000 31.075000 296 E A 2 "GLU " " C " 6 0 1 1 76.29 4628 + 4629 15 36.200000 6.102000 31.894000 296 E A 2 "GLU " " O " 8 0 1 1 77.8 4629 + 4630 3 34.271000 4.915000 29.483000 296 E A 2 "GLU " " CB " 6 0 1 1 78.82 4630 + 4631 3 35.463000 3.925000 29.520000 296 E A 2 "GLU " " CG " 6 0 1 1 93.59 4631 + 4632 2 35.672000 3.192000 28.196000 296 E A 2 "GLU " " CD " 6 0 1 1 95.82 4632 + 4633 15 35.950000 3.892000 27.200000 296 E A 2 "GLU " " OE1" 8 0 1 1 91.63 4633 + 4634 18 35.587000 1.945000 28.204000 296 E A 2 "GLU " " OE2" 8 -1 1 1 104.88 4634 + 4635 43 32.474000 6.656000 29.733000 296 E A 2 "GLU " " H " 1 0 1 1 72.44 4635 + 4636 41 33.921000 5.105000 31.597000 296 E A 2 "GLU " " HA " 1 0 1 1 75.79 4636 + 4637 41 34.371000 5.571000 28.617000 296 E A 2 "GLU " " HB3" 1 0 1 1 78.82 4637 + 4638 41 33.353000 4.351000 29.318000 296 E A 2 "GLU " " HB2" 1 0 1 1 78.82 4638 + 4639 41 35.318000 3.200000 30.322000 296 E A 2 "GLU " " HG3" 1 0 1 1 93.59 4639 + 4640 41 36.400000 4.439000 29.732000 296 E A 2 "GLU " " HG2" 1 0 1 1 93.59 4640 + 4641 25 35.563000 7.735000 30.442000 297 A A 2 "ALA " " N " 7 0 1 1 75.88 4641 + 4642 3 36.659000 8.675000 30.671000 297 A A 2 "ALA " " CA " 6 0 1 1 69.83 4642 + 4643 2 36.654000 9.283000 32.082000 297 A A 2 "ALA " " C " 6 0 1 1 70.27 4643 + 4644 15 37.724000 9.403000 32.678000 297 A A 2 "ALA " " O " 8 0 1 1 70.78 4644 + 4645 3 36.626000 9.766000 29.591000 297 A A 2 "ALA " " CB " 6 0 1 1 63.11 4645 + 4646 43 34.875000 8.017000 29.756000 297 A A 2 "ALA " " H " 1 0 1 1 75.88 4646 + 4647 41 37.596000 8.133000 30.562000 297 A A 2 "ALA " " HA " 1 0 1 1 69.83 4647 + 4648 41 37.451000 10.468000 29.715000 297 A A 2 "ALA " " HB1" 1 0 1 1 63.11 4648 + 4649 41 36.717000 9.330000 28.596000 297 A A 2 "ALA " " HB2" 1 0 1 1 63.11 4649 + 4650 41 35.698000 10.336000 29.621000 297 A A 2 "ALA " " HB3" 1 0 1 1 63.11 4650 + 4651 25 35.457000 9.607000 32.604000 298 S A 2 "SER " " N " 7 0 1 1 76.11 4651 + 4652 3 35.252000 10.112000 33.963000 298 S A 2 "SER " " CA " 6 0 1 1 80.44 4652 + 4653 2 35.549000 9.055000 35.049000 298 S A 2 "SER " " C " 6 0 1 1 85.59 4653 + 4654 15 36.027000 9.425000 36.120000 298 S A 2 "SER " " O " 8 0 1 1 92.72 4654 + 4655 3 33.822000 10.681000 34.077000 298 S A 2 "SER " " CB " 6 0 1 1 81.72 4655 + 4656 16 33.600000 11.310000 35.324000 298 S A 2 "SER " " OG " 8 0 1 1 89 4656 + 4657 43 34.623000 9.480000 32.046000 298 S A 2 "SER " " H " 1 0 1 1 76.11 4657 + 4658 41 35.952000 10.937000 34.111000 298 S A 2 "SER " " HA " 1 0 1 1 80.44 4658 + 4659 41 33.078000 9.896000 33.944000 298 S A 2 "SER " " HB3" 1 0 1 1 81.72 4659 + 4660 41 33.646000 11.418000 33.293000 298 S A 2 "SER " " HB2" 1 0 1 1 81.72 4660 + 4661 42 33.652000 10.647000 36.018000 298 S A 2 "SER " " HG " 1 0 1 1 89 4661 + 4662 25 35.294000 7.770000 34.748000 299 E A 2 "GLU " " N " 7 0 1 1 85.38 4662 + 4663 3 35.600000 6.634000 35.620000 299 E A 2 "GLU " " CA " 6 0 1 1 84.8 4663 + 4664 2 37.100000 6.299000 35.661000 299 E A 2 "GLU " " C " 6 0 1 1 81.39 4664 + 4665 15 37.613000 6.004000 36.739000 299 E A 2 "GLU " " O " 8 0 1 1 82.1 4665 + 4666 3 34.789000 5.404000 35.175000 299 E A 2 "GLU " " CB " 6 0 1 1 93.08 4666 + 4667 3 33.284000 5.526000 35.466000 299 E A 2 "GLU " " CG " 6 0 1 1 106.59 4667 + 4668 2 32.523000 4.317000 34.930000 299 E A 2 "GLU " " CD " 6 0 1 1 112.9 4668 + 4669 15 32.650000 3.243000 35.557000 299 E A 2 "GLU " " OE1" 8 0 1 1 117.81 4669 + 4670 18 31.842000 4.480000 33.895000 299 E A 2 "GLU " " OE2" 8 -1 1 1 125.41 4670 + 4671 43 34.871000 7.543000 33.857000 299 E A 2 "GLU " " H " 1 0 1 1 85.38 4671 + 4672 41 35.300000 6.889000 36.639000 299 E A 2 "GLU " " HA " 1 0 1 1 84.8 4672 + 4673 41 35.172000 4.510000 35.673000 299 E A 2 "GLU " " HB3" 1 0 1 1 93.08 4673 + 4674 41 34.936000 5.234000 34.108000 299 E A 2 "GLU " " HB2" 1 0 1 1 93.08 4674 + 4675 41 32.870000 6.436000 35.035000 299 E A 2 "GLU " " HG3" 1 0 1 1 106.59 4675 + 4676 41 33.117000 5.596000 36.541000 299 E A 2 "GLU " " HG2" 1 0 1 1 106.59 4676 + 4677 25 37.775000 6.362000 34.500000 300 A A 2 "ALA " " N " 7 0 1 1 81.29 4677 + 4678 3 39.212000 6.117000 34.362000 300 A A 2 "ALA " " CA " 6 0 1 1 79.15 4678 + 4679 2 40.079000 7.209000 35.012000 300 A A 2 "ALA " " C " 6 0 1 1 83.35 4679 + 4680 15 41.153000 6.891000 35.522000 300 A A 2 "ALA " " O " 8 0 1 1 85.92 4680 + 4681 3 39.552000 5.958000 32.876000 300 A A 2 "ALA " " CB " 6 0 1 1 80.05 4681 + 4682 43 37.277000 6.592000 33.649000 300 A A 2 "ALA " " H " 1 0 1 1 81.29 4682 + 4683 41 39.438000 5.171000 34.859000 300 A A 2 "ALA " " HA " 1 0 1 1 79.15 4683 + 4684 41 40.600000 5.698000 32.735000 300 A A 2 "ALA " " HB1" 1 0 1 1 80.05 4684 + 4685 41 38.956000 5.165000 32.423000 300 A A 2 "ALA " " HB2" 1 0 1 1 80.05 4685 + 4686 41 39.360000 6.877000 32.321000 300 A A 2 "ALA " " HB3" 1 0 1 1 80.05 4686 + 4687 25 39.575000 8.457000 35.034000 301 A A 2 "ALA " " N " 7 0 1 1 85.19 4687 + 4688 3 40.169000 9.592000 35.744000 301 A A 2 "ALA " " CA " 6 0 1 1 86.17 4688 + 4689 2 40.232000 9.386000 37.269000 301 A A 2 "ALA " " C " 6 0 1 1 86.6 4689 + 4690 15 41.207000 9.805000 37.890000 301 A A 2 "ALA " " O " 8 0 1 1 88.13 4690 + 4691 3 39.379000 10.864000 35.402000 301 A A 2 "ALA " " CB " 6 0 1 1 97.43 4691 + 4692 43 38.693000 8.637000 34.574000 301 A A 2 "ALA " " H " 1 0 1 1 85.19 4692 + 4693 41 41.191000 9.713000 35.380000 301 A A 2 "ALA " " HA " 1 0 1 1 86.17 4693 + 4694 41 39.806000 11.739000 35.896000 301 A A 2 "ALA " " HB1" 1 0 1 1 97.43 4694 + 4695 41 39.393000 11.057000 34.329000 301 A A 2 "ALA " " HB2" 1 0 1 1 97.43 4695 + 4696 41 38.336000 10.786000 35.710000 301 A A 2 "ALA " " HB3" 1 0 1 1 97.43 4696 + 4697 25 39.223000 8.689000 37.821000 302 E A 2 "GLU " " N " 7 0 0 1 82.61 4697 + 4698 3 39.126000 8.281000 39.225000 302 E A 2 "GLU " " CA " 6 0 0 1 85.58 4698 + 4699 2 39.831000 6.939000 39.523000 302 E A 2 "GLU " " C " 6 0 0 1 77.93 4699 + 4700 15 39.597000 6.358000 40.583000 302 E A 2 "GLU " " O " 8 0 0 1 82.54 4700 + 4701 3 37.638000 8.261000 39.632000 302 E A 2 "GLU " " CB " 6 0 0 1 99.25 4701 + 4702 3 36.974000 9.649000 39.535000 302 E A 2 "GLU " " CG " 6 0 0 1 119.7 4702 + 4703 2 35.514000 9.638000 39.986000 302 E A 2 "GLU " " CD " 6 0 0 1 130.18 4703 + 4704 15 34.778000 8.726000 39.546000 302 E A 2 "GLU " " OE1" 8 0 0 1 132.52 4704 + 4705 18 35.157000 10.551000 40.761000 302 E A 2 "GLU " " OE2" 8 -1 0 1 137.14 4705 + 4706 43 38.466000 8.377000 37.229000 302 E A 2 "GLU " " H " 1 0 0 1 82.61 4706 + 4707 41 39.627000 9.028000 39.844000 302 E A 2 "GLU " " HA " 1 0 0 1 85.58 4707 + 4708 41 37.530000 7.894000 40.653000 302 E A 2 "GLU " " HB3" 1 0 0 1 99.25 4708 + 4709 41 37.101000 7.552000 38.999000 302 E A 2 "GLU " " HB2" 1 0 0 1 99.25 4709 + 4710 41 37.006000 10.026000 38.514000 302 E A 2 "GLU " " HG3" 1 0 0 1 119.7 4710 + 4711 41 37.530000 10.364000 40.145000 302 E A 2 "GLU " " HG2" 1 0 0 1 119.7 4711 + 4712 25 40.684000 6.474000 38.596000 303 Q A 2 "GLN " " N " 7 0 0 1 75.29 4712 + 4713 3 41.519000 5.277000 38.720000 303 Q A 2 "GLN " " CA " 6 0 0 1 76.36 4713 + 4714 2 43.001000 5.572000 38.425000 303 Q A 2 "GLN " " C " 6 0 0 1 81.06 4714 + 4715 15 43.820000 4.664000 38.565000 303 Q A 2 "GLN " " O " 8 0 0 1 84.28 4715 + 4716 3 40.971000 4.179000 37.785000 303 Q A 2 "GLN " " CB " 6 0 0 1 84.91 4716 + 4717 3 39.614000 3.607000 38.234000 303 Q A 2 "GLN " " CG " 6 0 0 1 96.45 4717 + 4718 2 38.965000 2.732000 37.160000 303 Q A 2 "GLN " " CD " 6 0 0 1 102.6 4718 + 4719 15 39.646000 2.019000 36.425000 303 Q A 2 "GLN " " OE1" 8 0 0 1 90.41 4719 + 4720 25 37.635000 2.773000 37.075000 303 Q A 2 "GLN " " NE2" 7 0 0 1 108.59 4720 + 4721 43 40.783000 6.987000 37.731000 303 Q A 2 "GLN " " H " 1 0 0 1 75.29 4721 + 4722 41 41.489000 4.903000 39.745000 303 Q A 2 "GLN " " HA " 1 0 0 1 76.36 4722 + 4723 41 41.683000 3.355000 37.715000 303 Q A 2 "GLN " " HB3" 1 0 0 1 84.91 4723 + 4724 41 40.879000 4.583000 36.777000 303 Q A 2 "GLN " " HB2" 1 0 0 1 84.91 4724 + 4725 41 38.924000 4.414000 38.479000 303 Q A 2 "GLN " " HG3" 1 0 0 1 96.45 4725 + 4726 41 39.738000 3.021000 39.145000 303 Q A 2 "GLN " " HG2" 1 0 0 1 96.45 4726 + 4727 43 37.149000 2.204000 36.398000 303 Q A 2 "GLN " "HE22" 1 0 0 1 108.59 4727 + 4728 43 37.103000 3.382000 37.682000 303 Q A 2 "GLN " "HE21" 1 0 0 1 108.59 4728 + 4729 25 43.331000 6.818000 38.032000 304 G A 2 "GLY " " N " 7 0 0 1 89.61 4729 + 4730 3 44.696000 7.254000 37.734000 304 G A 2 "GLY " " CA " 6 0 0 1 91.3 4730 + 4731 2 45.263000 6.608000 36.458000 304 G A 2 "GLY " " C " 6 0 0 1 91.11 4731 + 4732 15 46.480000 6.454000 36.365000 304 G A 2 "GLY " " O " 8 0 0 1 97.92 4732 + 4733 43 42.606000 7.516000 37.953000 304 G A 2 "GLY " " H " 1 0 0 1 89.61 4733 + 4734 41 45.348000 7.033000 38.582000 304 G A 2 "GLY " " HA3" 1 0 0 1 91.3 4734 + 4735 41 44.696000 8.337000 37.607000 304 G A 2 "GLY " " HA2" 1 0 0 1 91.3 4735 + 4736 25 44.399000 6.214000 35.506000 305 R A 2 "ARG " " N " 7 0 0 1 90.77 4736 + 4737 3 44.780000 5.601000 34.232000 305 R A 2 "ARG " " CA " 6 0 0 1 94.84 4737 + 4738 2 44.069000 6.318000 33.063000 305 R A 2 "ARG " " C " 6 0 0 1 88.22 4738 + 4739 15 43.006000 6.904000 33.274000 305 R A 2 "ARG " " O " 8 0 0 1 87.67 4739 + 4740 3 44.436000 4.091000 34.254000 305 R A 2 "ARG " " CB " 6 0 0 1 105.48 4740 + 4741 3 42.933000 3.751000 34.386000 305 R A 2 "ARG " " CG " 6 0 0 1 130.57 4741 + 4742 3 42.571000 2.395000 33.766000 305 R A 2 "ARG " " CD " 6 0 0 1 147.43 4742 + 4743 25 41.114000 2.245000 33.642000 305 R A 2 "ARG " " NE " 7 0 0 1 158.82 4743 + 4744 2 40.472000 1.470000 32.750000 305 R A 2 "ARG " " CZ " 6 0 0 1 161.3 4744 + 4745 25 41.138000 0.739000 31.844000 305 R A 2 "ARG " " NH1" 7 0 0 1 163.71 4745 + 4746 31 39.134000 1.424000 32.765000 305 R A 2 "ARG " " NH2" 7 1 0 1 165.57 4746 + 4747 43 43.409000 6.379000 35.634000 305 R A 2 "ARG " " H " 1 0 0 1 90.77 4747 + 4748 41 45.856000 5.698000 34.107000 305 R A 2 "ARG " " HA " 1 0 0 1 94.84 4748 + 4749 41 44.999000 3.578000 35.034000 305 R A 2 "ARG " " HB3" 1 0 0 1 105.48 4749 + 4750 41 44.804000 3.674000 33.316000 305 R A 2 "ARG " " HB2" 1 0 0 1 105.48 4750 + 4751 41 42.284000 4.501000 33.940000 305 R A 2 "ARG " " HG3" 1 0 0 1 130.57 4751 + 4752 41 42.698000 3.755000 35.450000 305 R A 2 "ARG " " HG2" 1 0 0 1 130.57 4752 + 4753 41 42.893000 1.587000 34.424000 305 R A 2 "ARG " " HD3" 1 0 0 1 147.43 4753 + 4754 41 43.085000 2.258000 32.815000 305 R A 2 "ARG " " HD2" 1 0 0 1 147.43 4754 + 4755 43 40.565000 2.684000 34.370000 305 R A 2 "ARG " " HE " 1 0 0 1 158.82 4755 + 4756 43 40.639000 0.146000 31.195000 305 R A 2 "ARG " "HH12" 1 0 0 1 163.71 4756 + 4757 43 42.146000 0.772000 31.812000 305 R A 2 "ARG " "HH11" 1 0 0 1 163.71 4757 + 4758 44 38.634000 0.839000 32.109000 305 R A 2 "ARG " "HH22" 1 0 0 1 165.57 4758 + 4759 44 38.612000 1.959000 33.444000 305 R A 2 "ARG " "HH21" 1 0 0 1 165.57 4759 + 4760 25 44.598000 6.187000 31.825000 306 P A 2 "PRO " " N " 7 0 0 1 81.39 4760 + 4761 3 43.811000 6.481000 30.610000 306 P A 2 "PRO " " CA " 6 0 0 1 74.16 4761 + 4762 2 42.613000 5.512000 30.444000 306 P A 2 "PRO " " C " 6 0 0 1 76.35 4762 + 4763 15 42.740000 4.345000 30.821000 306 P A 2 "PRO " " O " 8 0 0 1 86.3 4763 + 4764 3 44.829000 6.290000 29.466000 306 P A 2 "PRO " " CB " 6 0 0 1 75.5 4764 + 4765 3 46.199000 6.374000 30.118000 306 P A 2 "PRO " " CG " 6 0 0 1 81.58 4765 + 4766 3 45.960000 5.772000 31.493000 306 P A 2 "PRO " " CD " 6 0 0 1 79.93 4766 + 4767 41 43.506000 7.526000 30.674000 306 P A 2 "PRO " " HA " 1 0 0 1 74.16 4767 + 4768 41 44.707000 7.029000 28.674000 306 P A 2 "PRO " " HB3" 1 0 0 1 75.5 4768 + 4769 41 44.720000 5.306000 29.005000 306 P A 2 "PRO " " HB2" 1 0 0 1 75.5 4769 + 4770 41 46.483000 7.422000 30.226000 306 P A 2 "PRO " " HG3" 1 0 0 1 81.58 4770 + 4771 41 46.982000 5.870000 29.552000 306 P A 2 "PRO " " HG2" 1 0 0 1 81.58 4771 + 4772 41 46.005000 4.683000 31.455000 306 P A 2 "PRO " " HD2" 1 0 0 1 79.93 4772 + 4773 41 46.716000 6.131000 32.191000 306 P A 2 "PRO " " HD3" 1 0 0 1 79.93 4773 + 4774 25 41.491000 5.984000 29.852000 307 P A 2 "PRO " " N " 7 0 0 1 69.45 4774 + 4775 3 40.364000 5.101000 29.494000 307 P A 2 "PRO " " CA " 6 0 0 1 70.03 4775 + 4776 2 40.711000 4.166000 28.321000 307 P A 2 "PRO " " C " 6 0 0 1 73.71 4776 + 4777 15 41.541000 4.534000 27.488000 307 P A 2 "PRO " " O " 8 0 0 1 68.89 4777 + 4778 3 39.248000 6.088000 29.127000 307 P A 2 "PRO " " CB " 6 0 0 1 66.22 4778 + 4779 3 39.974000 7.314000 28.595000 307 P A 2 "PRO " " CG " 6 0 0 1 67.14 4779 + 4780 3 41.243000 7.368000 29.441000 307 P A 2 "PRO " " CD " 6 0 0 1 70.87 4780 + 4781 41 40.060000 4.494000 30.348000 307 P A 2 "PRO " " HA " 1 0 0 1 70.03 4781 + 4782 41 38.696000 6.334000 30.032000 307 P A 2 "PRO " " HB3" 1 0 0 1 66.22 4782 + 4783 41 38.524000 5.689000 28.415000 307 P A 2 "PRO " " HB2" 1 0 0 1 66.22 4783 + 4784 41 39.380000 8.227000 28.640000 307 P A 2 "PRO " " HG3" 1 0 0 1 67.14 4784 + 4785 41 40.242000 7.138000 27.553000 307 P A 2 "PRO " " HG2" 1 0 0 1 67.14 4785 + 4786 41 42.069000 7.800000 28.874000 307 P A 2 "PRO " " HD2" 1 0 0 1 70.87 4786 + 4787 41 41.080000 7.973000 30.335000 307 P A 2 "PRO " " HD3" 1 0 0 1 70.87 4787 + 4788 25 40.072000 2.980000 28.284000 308 E A 2 "GLU " " N " 7 0 0 1 81.36 4788 + 4789 3 40.246000 1.978000 27.222000 308 E A 2 "GLU " " CA " 6 0 0 1 86.47 4789 + 4790 2 39.997000 2.533000 25.813000 308 E A 2 "GLU " " C " 6 0 0 1 86.5 4790 + 4791 15 40.845000 2.371000 24.937000 308 E A 2 "GLU " " O " 8 0 0 1 77.06 4791 + 4792 3 39.315000 0.765000 27.435000 308 E A 2 "GLU " " CB " 6 0 0 1 107.26 4792 + 4793 3 39.707000 -0.140000 28.611000 308 E A 2 "GLU " " CG " 6 0 0 1 127.49 4793 + 4794 2 38.833000 -1.394000 28.707000 308 E A 2 "GLU " " CD " 6 0 0 1 142.33 4794 + 4795 15 38.483000 -1.953000 27.642000 308 E A 2 "GLU " " OE1" 8 0 0 1 144.5 4795 + 4796 18 38.545000 -1.783000 29.859000 308 E A 2 "GLU " " OE2" 8 -1 0 1 153.83 4796 + 4797 43 39.396000 2.753000 28.999000 308 E A 2 "GLU " " H " 1 0 0 1 81.36 4797 + 4798 41 41.281000 1.633000 27.257000 308 E A 2 "GLU " " HA " 1 0 0 1 86.47 4798 + 4799 41 39.299000 0.169000 26.519000 308 E A 2 "GLU " " HB3" 1 0 0 1 107.26 4799 + 4800 41 38.290000 1.110000 27.580000 308 E A 2 "GLU " " HB2" 1 0 0 1 107.26 4800 + 4801 41 39.629000 0.423000 29.541000 308 E A 2 "GLU " " HG3" 1 0 0 1 127.49 4801 + 4802 41 40.746000 -0.457000 28.514000 308 E A 2 "GLU " " HG2" 1 0 0 1 127.49 4802 + 4803 25 38.834000 3.176000 25.652000 309 H A 2 "HIS " " N " 7 0 0 1 83.93 4803 + 4804 3 38.359000 3.769000 24.410000 309 H A 2 "HIS " " CA " 6 0 0 1 79.14 4804 + 4805 2 38.161000 5.271000 24.637000 309 H A 2 "HIS " " C " 6 0 0 1 74.81 4805 + 4806 15 37.900000 5.695000 25.764000 309 H A 2 "HIS " " O " 8 0 0 1 74.05 4806 + 4807 3 37.046000 3.065000 24.011000 309 H A 2 "HIS " " CB " 6 0 0 1 90.05 4807 + 4808 2 37.149000 1.562000 23.940000 309 H A 2 "HIS " " CG " 6 0 0 1 95.42 4808 + 4809 25 37.822000 0.896000 22.911000 309 H A 2 "HIS " " ND1" 7 0 0 1 99.47 4809 + 4810 2 36.673000 0.628000 24.836000 309 H A 2 "HIS " " CD2" 6 0 0 1 89.88 4810 + 4811 2 37.725000 -0.391000 23.215000 309 H A 2 "HIS " " CE1" 6 0 0 1 98.51 4811 + 4812 25 37.061000 -0.609000 24.351000 309 H A 2 "HIS " " NE2" 7 0 0 1 101.36 4812 + 4813 43 38.207000 3.278000 26.440000 309 H A 2 "HIS " " H " 1 0 0 1 83.93 4813 + 4814 41 39.091000 3.630000 23.612000 309 H A 2 "HIS " " HA " 1 0 0 1 79.14 4814 + 4815 41 36.693000 3.428000 23.051000 309 H A 2 "HIS " " HB3" 1 0 0 1 90.05 4815 + 4816 41 36.258000 3.307000 24.722000 309 H A 2 "HIS " " HB2" 1 0 0 1 90.05 4816 + 4817 41 36.127000 0.744000 25.762000 309 H A 2 "HIS " " HD2" 1 0 0 1 89.88 4817 + 4818 41 38.153000 -1.179000 22.613000 309 H A 2 "HIS " " HE1" 1 0 0 1 98.51 4818 + 4819 43 36.893000 -1.503000 24.790000 309 H A 2 "HIS " " HE2" 1 0 0 1 101.36 4819 + 4820 25 38.309000 6.055000 23.562000 310 T A 2 "THR " " N " 7 0 0 1 71.81 4820 + 4821 3 38.217000 7.512000 23.623000 310 T A 2 "THR " " CA " 6 0 0 1 74.49 4821 + 4822 2 37.224000 8.027000 22.574000 310 T A 2 "THR " " C " 6 0 0 1 69.47 4822 + 4823 15 37.239000 7.581000 21.425000 310 T A 2 "THR " " O " 8 0 0 1 68.55 4823 + 4824 3 39.597000 8.189000 23.380000 310 T A 2 "THR " " CB " 6 0 0 1 86.88 4824 + 4825 16 40.074000 8.037000 22.054000 310 T A 2 "THR " " OG1" 8 0 0 1 93.98 4825 + 4826 3 40.686000 7.728000 24.361000 310 T A 2 "THR " " CG2" 6 0 0 1 96.83 4826 + 4827 43 38.538000 5.653000 22.664000 310 T A 2 "THR " " H " 1 0 0 1 71.81 4827 + 4828 41 37.856000 7.836000 24.602000 310 T A 2 "THR " " HA " 1 0 0 1 74.49 4828 + 4829 41 39.468000 9.263000 23.529000 310 T A 2 "THR " " HB " 1 0 0 1 86.88 4829 + 4830 42 39.404000 8.385000 21.460000 310 T A 2 "THR " " HG1" 1 0 0 1 93.98 4830 + 4831 41 41.614000 8.277000 24.203000 310 T A 2 "THR " "HG21" 1 0 0 1 96.83 4831 + 4832 41 40.374000 7.902000 25.390000 310 T A 2 "THR " "HG22" 1 0 0 1 96.83 4832 + 4833 41 40.909000 6.666000 24.254000 310 T A 2 "THR " "HG23" 1 0 0 1 96.83 4833 + 4834 25 36.416000 9.011000 22.999000 311 S A 2 "SER " " N " 7 0 0 1 60.27 4834 + 4835 3 35.590000 9.847000 22.134000 311 S A 2 "SER " " CA " 6 0 0 1 53.93 4835 + 4836 2 36.468000 10.703000 21.206000 311 S A 2 "SER " " C " 6 0 0 1 53.88 4836 + 4837 15 37.545000 11.151000 21.607000 311 S A 2 "SER " " O " 8 0 0 1 69 4837 + 4838 3 34.674000 10.723000 23.018000 311 S A 2 "SER " " CB " 6 0 0 1 52.83 4838 + 4839 16 33.861000 11.595000 22.258000 311 S A 2 "SER " " OG " 8 0 0 1 54.13 4839 + 4840 43 36.466000 9.302000 23.965000 311 S A 2 "SER " " H " 1 0 0 1 60.27 4840 + 4841 41 34.966000 9.192000 21.523000 311 S A 2 "SER " " HA " 1 0 0 1 53.93 4841 + 4842 41 35.267000 11.321000 23.710000 311 S A 2 "SER " " HB3" 1 0 0 1 52.83 4842 + 4843 41 34.018000 10.098000 23.622000 311 S A 2 "SER " " HB2" 1 0 0 1 52.83 4843 + 4844 42 33.319000 12.110000 22.861000 311 S A 2 "SER " " HG " 1 0 0 1 54.13 4844 + 4845 25 35.964000 10.914000 19.987000 312 K A 2 "LYS " " N " 7 0 0 1 47.84 4845 + 4846 3 36.563000 11.764000 18.963000 312 K A 2 "LYS " " CA " 6 0 0 1 45.57 4846 + 4847 2 35.751000 13.056000 18.770000 312 K A 2 "LYS " " C " 6 0 0 1 51.45 4847 + 4848 15 36.166000 13.901000 17.977000 312 K A 2 "LYS " " O " 8 0 0 1 47.98 4848 + 4849 3 36.653000 10.957000 17.657000 312 K A 2 "LYS " " CB " 6 0 0 1 53.89 4849 + 4850 3 37.377000 9.601000 17.782000 312 K A 2 "LYS " " CG " 6 0 0 1 68.5 4850 + 4851 3 38.824000 9.693000 18.285000 312 K A 2 "LYS " " CD " 6 0 0 1 82.61 4851 + 4852 3 39.449000 8.307000 18.484000 312 K A 2 "LYS " " CE " 6 0 0 1 92.18 4852 + 4853 32 40.896000 8.411000 18.727000 312 K A 2 "LYS " " NZ " 7 1 0 1 112.85 4853 + 4854 43 35.085000 10.479000 19.735000 312 K A 2 "LYS " " H " 1 0 0 1 47.84 4854 + 4855 41 37.566000 12.080000 19.254000 312 K A 2 "LYS " " HA " 1 0 0 1 45.57 4855 + 4856 41 37.136000 11.553000 16.881000 312 K A 2 "LYS " " HB3" 1 0 0 1 53.89 4856 + 4857 41 35.639000 10.766000 17.313000 312 K A 2 "LYS " " HB2" 1 0 0 1 53.89 4857 + 4858 41 37.389000 9.121000 16.805000 312 K A 2 "LYS " " HG3" 1 0 0 1 68.5 4858 + 4859 41 36.804000 8.932000 18.426000 312 K A 2 "LYS " " HG2" 1 0 0 1 68.5 4859 + 4860 41 38.868000 10.231000 19.231000 312 K A 2 "LYS " " HD3" 1 0 0 1 82.61 4860 + 4861 41 39.412000 10.273000 17.573000 312 K A 2 "LYS " " HD2" 1 0 0 1 82.61 4861 + 4862 41 39.293000 7.685000 17.603000 312 K A 2 "LYS " " HE3" 1 0 0 1 92.18 4862 + 4863 41 38.976000 7.791000 19.320000 312 K A 2 "LYS " " HE2" 1 0 0 1 92.18 4863 + 4864 44 41.071000 8.984000 19.540000 312 K A 2 "LYS " " HZ1" 1 0 0 1 112.85 4864 + 4865 44 41.281000 7.489000 18.869000 312 K A 2 "LYS " " HZ2" 1 0 0 1 112.85 4865 + 4866 44 41.325000 8.830000 17.911000 312 K A 2 "LYS " " HZ3" 1 0 0 1 112.85 4866 + 4867 25 34.641000 13.203000 19.522000 313 F A 2 "PHE " " N " 7 0 0 1 54.48 4867 + 4868 3 33.806000 14.401000 19.639000 313 F A 2 "PHE " " CA " 6 0 0 1 61.18 4868 + 4869 2 33.211000 14.842000 18.287000 313 F A 2 "PHE " " C " 6 0 0 1 63.89 4869 + 4870 15 33.220000 16.030000 17.966000 313 F A 2 "PHE " " O " 8 0 0 1 64.59 4870 + 4871 3 34.583000 15.521000 20.378000 313 F A 2 "PHE " " CB " 6 0 0 1 55.15 4871 + 4872 2 35.047000 15.147000 21.777000 313 F A 2 "PHE " " CG " 6 0 0 1 46.77 4872 + 4873 2 36.300000 14.523000 21.966000 313 F A 2 "PHE " " CD1" 6 0 0 1 56.1 4873 + 4874 2 34.166000 15.254000 22.873000 313 F A 2 "PHE " " CD2" 6 0 0 1 42.52 4874 + 4875 2 36.674000 14.076000 23.225000 313 F A 2 "PHE " " CE1" 6 0 0 1 61.77 4875 + 4876 2 34.561000 14.806000 24.128000 313 F A 2 "PHE " " CE2" 6 0 0 1 54.12 4876 + 4877 2 35.811000 14.223000 24.303000 313 F A 2 "PHE " " CZ " 6 0 0 1 65.15 4877 + 4878 43 34.389000 12.451000 20.150000 313 F A 2 "PHE " " H " 1 0 0 1 54.48 4878 + 4879 41 32.954000 14.122000 20.261000 313 F A 2 "PHE " " HA " 1 0 0 1 61.18 4879 + 4880 41 33.964000 16.411000 20.466000 313 F A 2 "PHE " " HB3" 1 0 0 1 55.15 4880 + 4881 41 35.454000 15.825000 19.797000 313 F A 2 "PHE " " HB2" 1 0 0 1 55.15 4881 + 4882 41 36.972000 14.385000 21.131000 313 F A 2 "PHE " " HD1" 1 0 0 1 56.1 4882 + 4883 41 33.182000 15.682000 22.742000 313 F A 2 "PHE " " HD2" 1 0 0 1 42.52 4883 + 4884 41 37.635000 13.602000 23.363000 313 F A 2 "PHE " " HE1" 1 0 0 1 61.77 4884 + 4885 41 33.890000 14.900000 24.968000 313 F A 2 "PHE " " HE2" 1 0 0 1 54.12 4885 + 4886 41 36.106000 13.870000 25.280000 313 F A 2 "PHE " " HZ " 1 0 0 1 65.15 4886 + 4887 25 32.717000 13.858000 17.516000 314 Y A 2 "TYR " " N " 7 0 1 1 66.75 4887 + 4888 3 32.085000 14.031000 16.210000 314 Y A 2 "TYR " " CA " 6 0 1 1 57.25 4888 + 4889 2 30.781000 14.831000 16.297000 314 Y A 2 "TYR " " C " 6 0 1 1 56.91 4889 + 4890 15 30.575000 15.689000 15.445000 314 Y A 2 "TYR " " O " 8 0 1 1 50.87 4890 + 4891 3 31.772000 12.669000 15.559000 314 Y A 2 "TYR " " CB " 6 0 1 1 44.08 4891 + 4892 2 32.906000 11.674000 15.396000 314 Y A 2 "TYR " " CG " 6 0 1 1 53.63 4892 + 4893 2 34.133000 12.052000 14.811000 314 Y A 2 "TYR " " CD1" 6 0 1 1 50.43 4893 + 4894 2 32.696000 10.332000 15.776000 314 Y A 2 "TYR " " CD2" 6 0 1 1 52.04 4894 + 4895 2 35.132000 11.083000 14.585000 314 Y A 2 "TYR " " CE1" 6 0 1 1 62.11 4895 + 4896 2 33.693000 9.368000 15.558000 314 Y A 2 "TYR " " CE2" 6 0 1 1 64.49 4896 + 4897 2 34.905000 9.742000 14.953000 314 Y A 2 "TYR " " CZ " 6 0 1 1 60.09 4897 + 4898 16 35.862000 8.799000 14.747000 314 Y A 2 "TYR " " OH " 8 0 1 1 71.72 4898 + 4899 43 32.700000 12.911000 17.881000 314 Y A 2 "TYR " " H " 1 0 1 1 66.75 4899 + 4900 41 32.779000 14.580000 15.571000 314 Y A 2 "TYR " " HA " 1 0 1 1 57.25 4900 + 4901 41 31.347000 12.827000 14.567000 314 Y A 2 "TYR " " HB3" 1 0 1 1 44.08 4901 + 4902 41 30.992000 12.179000 16.140000 314 Y A 2 "TYR " " HB2" 1 0 1 1 44.08 4902 + 4903 41 34.304000 13.074000 14.509000 314 Y A 2 "TYR " " HD1" 1 0 1 1 50.43 4903 + 4904 41 31.760000 10.030000 16.223000 314 Y A 2 "TYR " " HD2" 1 0 1 1 52.04 4904 + 4905 41 36.068000 11.368000 14.127000 314 Y A 2 "TYR " " HE1" 1 0 1 1 62.11 4905 + 4906 41 33.520000 8.342000 15.849000 314 Y A 2 "TYR " " HE2" 1 0 1 1 64.49 4906 + 4907 42 35.607000 7.930000 15.066000 314 Y A 2 "TYR " " HH " 1 0 1 1 71.72 4907 + 4908 25 29.938000 14.550000 17.311000 315 A A 2 "ALA " " N " 7 0 1 1 55.16 4908 + 4909 3 28.675000 15.254000 17.555000 315 A A 2 "ALA " " CA " 6 0 1 1 58.38 4909 + 4910 2 28.881000 16.738000 17.890000 315 A A 2 "ALA " " C " 6 0 1 1 63.35 4910 + 4911 15 28.157000 17.574000 17.354000 315 A A 2 "ALA " " O " 8 0 1 1 64.42 4911 + 4912 3 27.890000 14.558000 18.678000 315 A A 2 "ALA " " CB " 6 0 1 1 56.68 4912 + 4913 43 30.186000 13.836000 17.987000 315 A A 2 "ALA " " H " 1 0 1 1 55.16 4913 + 4914 41 28.079000 15.195000 16.641000 315 A A 2 "ALA " " HA " 1 0 1 1 58.38 4914 + 4915 41 26.965000 15.089000 18.901000 315 A A 2 "ALA " " HB1" 1 0 1 1 56.68 4915 + 4916 41 27.614000 13.542000 18.400000 315 A A 2 "ALA " " HB2" 1 0 1 1 56.68 4916 + 4917 41 28.463000 14.510000 19.604000 315 A A 2 "ALA " " HB3" 1 0 1 1 56.68 4917 + 4918 25 29.898000 17.023000 18.722000 316 K A 2 "LYS " " N " 7 0 1 1 67.21 4918 + 4919 3 30.360000 18.362000 19.093000 316 K A 2 "LYS " " CA " 6 0 1 1 70.44 4919 + 4920 2 30.969000 19.137000 17.906000 316 K A 2 "LYS " " C " 6 0 1 1 67.51 4920 + 4921 15 30.792000 20.353000 17.836000 316 K A 2 "LYS " " O " 8 0 1 1 66.5 4921 + 4922 3 31.373000 18.207000 20.248000 316 K A 2 "LYS " " CB " 6 0 1 1 78.82 4922 + 4923 3 31.913000 19.516000 20.856000 316 K A 2 "LYS " " CG " 6 0 1 1 78.7 4923 + 4924 3 33.130000 19.266000 21.763000 316 K A 2 "LYS " " CD " 6 0 1 1 76.13 4924 + 4925 3 33.670000 20.525000 22.460000 316 K A 2 "LYS " " CE " 6 0 1 1 82.02 4925 + 4926 32 34.011000 21.595000 21.505000 316 K A 2 "LYS " " NZ " 7 1 1 1 83.33 4926 + 4927 43 30.434000 16.256000 19.104000 316 K A 2 "LYS " " H " 1 0 1 1 67.21 4927 + 4928 41 29.500000 18.927000 19.457000 316 K A 2 "LYS " " HA " 1 0 1 1 70.44 4928 + 4929 41 32.212000 17.623000 19.877000 316 K A 2 "LYS " " HB3" 1 0 1 1 78.82 4929 + 4930 41 30.929000 17.615000 21.049000 316 K A 2 "LYS " " HB2" 1 0 1 1 78.82 4930 + 4931 41 31.119000 20.003000 21.425000 316 K A 2 "LYS " " HG3" 1 0 1 1 78.7 4931 + 4932 41 32.199000 20.216000 20.072000 316 K A 2 "LYS " " HG2" 1 0 1 1 78.7 4932 + 4933 41 33.931000 18.815000 21.176000 316 K A 2 "LYS " " HD3" 1 0 1 1 76.13 4933 + 4934 41 32.867000 18.529000 22.523000 316 K A 2 "LYS " " HD2" 1 0 1 1 76.13 4934 + 4935 41 34.561000 20.274000 23.037000 316 K A 2 "LYS " " HE3" 1 0 1 1 82.02 4935 + 4936 41 32.935000 20.902000 23.170000 316 K A 2 "LYS " " HE2" 1 0 1 1 82.02 4936 + 4937 44 33.170000 21.881000 21.024000 316 K A 2 "LYS " " HZ1" 1 0 1 1 83.33 4937 + 4938 44 34.371000 22.389000 22.015000 316 K A 2 "LYS " " HZ2" 1 0 1 1 83.33 4938 + 4939 44 34.699000 21.269000 20.841000 316 K A 2 "LYS " " HZ3" 1 0 1 1 83.33 4939 + 4940 25 31.668000 18.431000 17.000000 317 G A 2 "GLY " " N " 7 0 1 1 62.43 4940 + 4941 3 32.316000 19.019000 15.826000 317 G A 2 "GLY " " CA " 6 0 1 1 56.01 4941 + 4942 2 31.288000 19.311000 14.725000 317 G A 2 "GLY " " C " 6 0 1 1 61.9 4942 + 4943 15 31.295000 20.400000 14.152000 317 G A 2 "GLY " " O " 8 0 1 1 72.72 4943 + 4944 43 31.789000 17.437000 17.138000 317 G A 2 "GLY " " H " 1 0 1 1 62.43 4944 + 4945 41 33.055000 18.315000 15.443000 317 G A 2 "GLY " " HA3" 1 0 1 1 56.01 4945 + 4946 41 32.850000 19.931000 16.098000 317 G A 2 "GLY " " HA2" 1 0 1 1 56.01 4946 + 4947 25 30.384000 18.353000 14.465000 318 A A 2 "ALA " " N " 7 0 0 1 67.46 4947 + 4948 3 29.283000 18.447000 13.507000 318 A A 2 "ALA " " CA " 6 0 0 1 68.6 4948 + 4949 2 28.125000 19.348000 13.965000 318 A A 2 "ALA " " C " 6 0 0 1 69.03 4949 + 4950 15 27.227000 19.583000 13.163000 318 A A 2 "ALA " " O " 8 0 0 1 76.08 4950 + 4951 3 28.770000 17.029000 13.219000 318 A A 2 "ALA " " CB " 6 0 0 1 64.4 4951 + 4952 43 30.442000 17.477000 14.971000 318 A A 2 "ALA " " H " 1 0 0 1 67.46 4952 + 4953 41 29.672000 18.864000 12.577000 318 A A 2 "ALA " " HA " 1 0 0 1 68.6 4953 + 4954 41 27.930000 17.030000 12.524000 318 A A 2 "ALA " " HB1" 1 0 0 1 64.4 4954 + 4955 41 29.556000 16.412000 12.782000 318 A A 2 "ALA " " HB2" 1 0 0 1 64.4 4955 + 4956 41 28.436000 16.537000 14.133000 318 A A 2 "ALA " " HB3" 1 0 0 1 64.4 4956 + 4957 25 28.160000 19.835000 15.218000 319 L A 2 "LEU " " N " 7 0 1 1 63.35 4957 + 4958 3 27.139000 20.651000 15.886000 319 L A 2 "LEU " " CA " 6 0 1 1 64.14 4958 + 4959 2 26.744000 21.936000 15.129000 319 L A 2 "LEU " " C " 6 0 1 1 73.03 4959 + 4960 15 25.580000 22.329000 15.189000 319 L A 2 "LEU " " O " 8 0 1 1 72.71 4960 + 4961 3 27.658000 20.963000 17.307000 319 L A 2 "LEU " " CB " 6 0 1 1 66.71 4961 + 4962 3 26.603000 21.336000 18.366000 319 L A 2 "LEU " " CG " 6 0 1 1 65.8 4962 + 4963 3 25.618000 20.176000 18.629000 319 L A 2 "LEU " " CD1" 6 0 1 1 74.15 4963 + 4964 3 27.309000 21.775000 19.662000 319 L A 2 "LEU " " CD2" 6 0 1 1 80.12 4964 + 4965 43 28.945000 19.580000 15.800000 319 L A 2 "LEU " " H " 1 0 1 1 63.35 4965 + 4966 41 26.251000 20.025000 15.953000 319 L A 2 "LEU " " HA " 1 0 1 1 64.14 4966 + 4967 41 28.409000 21.754000 17.245000 319 L A 2 "LEU " " HB3" 1 0 1 1 66.71 4967 + 4968 41 28.187000 20.094000 17.691000 319 L A 2 "LEU " " HB2" 1 0 1 1 66.71 4968 + 4969 41 26.028000 22.188000 18.003000 319 L A 2 "LEU " " HG " 1 0 1 1 65.8 4969 + 4970 41 25.585000 19.871000 19.675000 319 L A 2 "LEU " "HD11" 1 0 1 1 74.15 4970 + 4971 41 24.603000 20.451000 18.344000 319 L A 2 "LEU " "HD12" 1 0 1 1 74.15 4971 + 4972 41 25.885000 19.285000 18.064000 319 L A 2 "LEU " "HD13" 1 0 1 1 74.15 4972 + 4973 41 26.776000 21.473000 20.563000 319 L A 2 "LEU " "HD21" 1 0 1 1 80.12 4973 + 4974 41 28.319000 21.369000 19.735000 319 L A 2 "LEU " "HD22" 1 0 1 1 80.12 4974 + 4975 41 27.399000 22.858000 19.690000 319 L A 2 "LEU " "HD23" 1 0 1 1 80.12 4975 + 4976 25 27.703000 22.516000 14.384000 320 Q A 2 "GLN " " N " 7 0 1 1 80.86 4976 + 4977 3 27.522000 23.647000 13.468000 320 Q A 2 "GLN " " CA " 6 0 1 1 82.67 4977 + 4978 2 26.557000 23.351000 12.306000 320 Q A 2 "GLN " " C " 6 0 1 1 79.67 4978 + 4979 15 25.862000 24.261000 11.860000 320 Q A 2 "GLN " " O " 8 0 1 1 81.91 4979 + 4980 3 28.885000 24.026000 12.857000 320 Q A 2 "GLN " " CB " 6 0 1 1 94.68 4980 + 4981 3 29.977000 24.422000 13.865000 320 Q A 2 "GLN " " CG " 6 0 1 1 108.88 4981 + 4982 2 31.300000 24.776000 13.180000 320 Q A 2 "GLN " " CD " 6 0 1 1 116.65 4982 + 4983 15 31.517000 24.478000 12.006000 320 Q A 2 "GLN " " OE1" 8 0 1 1 109.53 4983 + 4984 25 32.206000 25.410000 13.924000 320 Q A 2 "GLN " " NE2" 7 0 1 1 117.33 4984 + 4985 43 28.630000 22.115000 14.399000 320 Q A 2 "GLN " " H " 1 0 1 1 80.86 4985 + 4986 41 27.129000 24.491000 14.035000 320 Q A 2 "GLN " " HA " 1 0 1 1 82.67 4986 + 4987 41 28.745000 24.848000 12.152000 320 Q A 2 "GLN " " HB3" 1 0 1 1 94.68 4987 + 4988 41 29.249000 23.184000 12.268000 320 Q A 2 "GLN " " HB2" 1 0 1 1 94.68 4988 + 4989 41 30.165000 23.611000 14.569000 320 Q A 2 "GLN " " HG3" 1 0 1 1 108.88 4989 + 4990 41 29.641000 25.280000 14.448000 320 Q A 2 "GLN " " HG2" 1 0 1 1 108.88 4990 + 4991 43 33.097000 25.665000 13.523000 320 Q A 2 "GLN " "HE22" 1 0 1 1 117.33 4991 + 4992 43 32.008000 25.642000 14.886000 320 Q A 2 "GLN " "HE21" 1 0 1 1 117.33 4992 + 4993 25 26.575000 22.098000 11.826000 321 Y A 2 "TYR " " N " 7 0 1 1 81.57 4993 + 4994 3 25.843000 21.615000 10.658000 321 Y A 2 "TYR " " CA " 6 0 1 1 79.41 4994 + 4995 2 24.547000 20.907000 11.072000 321 Y A 2 "TYR " " C " 6 0 1 1 75.31 4995 + 4996 15 23.541000 21.076000 10.388000 321 Y A 2 "TYR " " O " 8 0 1 1 72.26 4996 + 4997 3 26.736000 20.643000 9.855000 321 Y A 2 "TYR " " CB " 6 0 1 1 86.22 4997 + 4998 2 28.047000 21.229000 9.358000 321 Y A 2 "TYR " " CG " 6 0 1 1 94.05 4998 + 4999 2 29.162000 21.308000 10.219000 321 Y A 2 "TYR " " CD1" 6 0 1 1 98.57 4999 + 5000 2 28.161000 21.684000 8.028000 321 Y A 2 "TYR " " CD2" 6 0 1 1 95.7 5000 + 5001 2 30.371000 21.868000 9.766000 321 Y A 2 "TYR " " CE1" 6 0 1 1 101.07 5001 + 5002 2 29.376000 22.228000 7.568000 321 Y A 2 "TYR " " CE2" 6 0 1 1 101.46 5002 + 5003 2 30.479000 22.328000 8.439000 321 Y A 2 "TYR " " CZ " 6 0 1 1 104.5 5003 + 5004 16 31.651000 22.870000 8.001000 321 Y A 2 "TYR " " OH " 8 0 1 1 112.1 5004 + 5005 43 27.167000 21.415000 12.279000 321 Y A 2 "TYR " " H " 1 0 1 1 81.57 5005 + 5006 41 25.582000 22.455000 10.012000 321 Y A 2 "TYR " " HA " 1 0 1 1 79.41 5006 + 5007 41 26.180000 20.275000 8.992000 321 Y A 2 "TYR " " HB3" 1 0 1 1 86.22 5007 + 5008 41 26.969000 19.760000 10.453000 321 Y A 2 "TYR " " HB2" 1 0 1 1 86.22 5008 + 5009 41 29.092000 20.951000 11.236000 321 Y A 2 "TYR " " HD1" 1 0 1 1 98.57 5009 + 5010 41 27.317000 21.621000 7.358000 321 Y A 2 "TYR " " HD2" 1 0 1 1 95.7 5010 + 5011 41 31.215000 21.942000 10.437000 321 Y A 2 "TYR " " HE1" 1 0 1 1 101.07 5011 + 5012 41 29.453000 22.577000 6.549000 321 Y A 2 "TYR " " HE2" 1 0 1 1 101.46 5012 + 5013 42 31.615000 23.166000 7.088000 321 Y A 2 "TYR " " HH " 1 0 1 1 112.1 5013 + 5014 25 24.590000 20.147000 12.181000 322 L A 2 "LEU " " N " 7 0 1 1 68.73 5014 + 5015 3 23.468000 19.399000 12.745000 322 L A 2 "LEU " " CA " 6 0 1 1 64.63 5015 + 5016 2 22.307000 20.310000 13.158000 322 L A 2 "LEU " " C " 6 0 1 1 70.19 5016 + 5017 15 21.204000 20.120000 12.657000 322 L A 2 "LEU " " O " 8 0 1 1 79.05 5017 + 5018 3 23.943000 18.568000 13.961000 322 L A 2 "LEU " " CB " 6 0 1 1 54.67 5018 + 5019 3 24.769000 17.311000 13.623000 322 L A 2 "LEU " " CG " 6 0 1 1 49.95 5019 + 5020 3 25.400000 16.713000 14.893000 322 L A 2 "LEU " " CD1" 6 0 1 1 57.78 5020 + 5021 3 23.946000 16.258000 12.867000 322 L A 2 "LEU " " CD2" 6 0 1 1 63.75 5021 + 5022 43 25.470000 20.056000 12.675000 322 L A 2 "LEU " " H " 1 0 1 1 68.73 5022 + 5023 41 23.096000 18.734000 11.965000 322 L A 2 "LEU " " HA " 1 0 1 1 64.63 5023 + 5024 41 23.082000 18.245000 14.549000 322 L A 2 "LEU " " HB3" 1 0 1 1 54.67 5024 + 5025 41 24.517000 19.218000 14.623000 322 L A 2 "LEU " " HB2" 1 0 1 1 54.67 5025 + 5026 41 25.585000 17.615000 12.969000 322 L A 2 "LEU " " HG " 1 0 1 1 49.95 5026 + 5027 41 26.251000 16.081000 14.645000 322 L A 2 "LEU " "HD11" 1 0 1 1 57.78 5027 + 5028 41 25.761000 17.490000 15.569000 322 L A 2 "LEU " "HD12" 1 0 1 1 57.78 5028 + 5029 41 24.690000 16.101000 15.451000 322 L A 2 "LEU " "HD13" 1 0 1 1 57.78 5029 + 5030 41 23.827000 15.352000 13.454000 322 L A 2 "LEU " "HD21" 1 0 1 1 63.75 5030 + 5031 41 22.934000 16.598000 12.648000 322 L A 2 "LEU " "HD22" 1 0 1 1 63.75 5031 + 5032 41 24.428000 15.982000 11.929000 322 L A 2 "LEU " "HD23" 1 0 1 1 63.75 5032 + 5033 25 22.583000 21.277000 14.049000 323 V A 2 "VAL " " N " 7 0 1 1 66.18 5033 + 5034 3 21.594000 22.188000 14.629000 323 V A 2 "VAL " " CA " 6 0 1 1 68.65 5034 + 5035 2 20.708000 22.960000 13.618000 323 V A 2 "VAL " " C " 6 0 1 1 69.54 5035 + 5036 15 19.490000 22.873000 13.774000 323 V A 2 "VAL " " O " 8 0 1 1 72.38 5036 + 5037 3 22.248000 23.164000 15.649000 323 V A 2 "VAL " " CB " 6 0 1 1 58.49 5037 + 5038 3 21.362000 24.353000 16.069000 323 V A 2 "VAL " " CG1" 6 0 1 1 58.01 5038 + 5039 3 22.714000 22.402000 16.904000 323 V A 2 "VAL " " CG2" 6 0 1 1 69.6 5039 + 5040 43 23.529000 21.383000 14.388000 323 V A 2 "VAL " " H " 1 0 1 1 66.18 5040 + 5041 41 20.915000 21.546000 15.194000 323 V A 2 "VAL " " HA " 1 0 1 1 68.65 5041 + 5042 41 23.146000 23.585000 15.196000 323 V A 2 "VAL " " HB " 1 0 1 1 58.49 5042 + 5043 41 21.784000 24.851000 16.937000 323 V A 2 "VAL " "HG11" 1 0 1 1 58.01 5043 + 5044 41 21.281000 25.103000 15.282000 323 V A 2 "VAL " "HG12" 1 0 1 1 58.01 5044 + 5045 41 20.356000 24.030000 16.333000 323 V A 2 "VAL " "HG13" 1 0 1 1 58.01 5045 + 5046 41 23.253000 23.056000 17.589000 323 V A 2 "VAL " "HG21" 1 0 1 1 69.6 5046 + 5047 41 21.868000 21.979000 17.447000 323 V A 2 "VAL " "HG22" 1 0 1 1 69.6 5047 + 5048 41 23.384000 21.583000 16.647000 323 V A 2 "VAL " "HG23" 1 0 1 1 69.6 5048 + 5049 25 21.267000 23.646000 12.589000 324 P A 2 "PRO " " N " 7 0 1 1 67.07 5049 + 5050 3 20.432000 24.330000 11.581000 324 P A 2 "PRO " " CA " 6 0 1 1 68.23 5050 + 5051 2 19.559000 23.397000 10.719000 324 P A 2 "PRO " " C " 6 0 1 1 71.93 5051 + 5052 15 18.461000 23.808000 10.350000 324 P A 2 "PRO " " O " 8 0 1 1 68.16 5052 + 5053 3 21.426000 25.147000 10.743000 324 P A 2 "PRO " " CB " 6 0 1 1 57.21 5053 + 5054 3 22.752000 24.433000 10.921000 324 P A 2 "PRO " " CG " 6 0 1 1 67.55 5054 + 5055 3 22.684000 23.938000 12.362000 324 P A 2 "PRO " " CD " 6 0 1 1 67.15 5055 + 5056 41 19.763000 25.026000 12.088000 324 P A 2 "PRO " " HA " 1 0 1 1 68.23 5056 + 5057 41 21.497000 26.155000 11.153000 324 P A 2 "PRO " " HB3" 1 0 1 1 57.21 5057 + 5058 41 21.145000 25.244000 9.693000 324 P A 2 "PRO " " HB2" 1 0 1 1 57.21 5058 + 5059 41 23.611000 25.071000 10.719000 324 P A 2 "PRO " " HG3" 1 0 1 1 67.55 5059 + 5060 41 22.797000 23.583000 10.239000 324 P A 2 "PRO " " HG2" 1 0 1 1 67.55 5060 + 5061 41 23.355000 23.097000 12.506000 324 P A 2 "PRO " " HD2" 1 0 1 1 67.15 5061 + 5062 41 22.989000 24.730000 13.047000 324 P A 2 "PRO " " HD3" 1 0 1 1 67.15 5062 + 5063 25 20.024000 22.161000 10.457000 325 I A 2 "ILE " " N " 7 0 1 1 74.4 5063 + 5064 3 19.250000 21.128000 9.758000 325 I A 2 "ILE " " CA " 6 0 1 1 68.28 5064 + 5065 2 18.103000 20.580000 10.634000 325 I A 2 "ILE " " C " 6 0 1 1 67.37 5065 + 5066 15 16.995000 20.422000 10.123000 325 I A 2 "ILE " " O " 8 0 1 1 59.79 5066 + 5067 3 20.142000 19.940000 9.279000 325 I A 2 "ILE " " CB " 6 0 1 1 68.03 5067 + 5068 3 21.206000 20.406000 8.263000 325 I A 2 "ILE " " CG1" 6 0 1 1 77.03 5068 + 5069 3 19.357000 18.746000 8.682000 325 I A 2 "ILE " " CG2" 6 0 1 1 56.96 5069 + 5070 3 22.353000 19.398000 8.081000 325 I A 2 "ILE " " CD1" 6 0 1 1 69.55 5070 + 5071 43 20.935000 21.884000 10.795000 325 I A 2 "ILE " " H " 1 0 1 1 74.4 5071 + 5072 41 18.802000 21.586000 8.874000 325 I A 2 "ILE " " HA " 1 0 1 1 68.28 5072 + 5073 41 20.676000 19.563000 10.152000 325 I A 2 "ILE " " HB " 1 0 1 1 68.03 5073 + 5074 41 21.639000 21.360000 8.563000 325 I A 2 "ILE " "HG13" 1 0 1 1 77.03 5074 + 5075 41 20.727000 20.595000 7.303000 325 I A 2 "ILE " "HG12" 1 0 1 1 77.03 5075 + 5076 41 20.032000 17.974000 8.314000 325 I A 2 "ILE " "HG21" 1 0 1 1 56.96 5076 + 5077 41 18.716000 18.257000 9.415000 325 I A 2 "ILE " "HG22" 1 0 1 1 56.96 5077 + 5078 41 18.733000 19.059000 7.844000 325 I A 2 "ILE " "HG23" 1 0 1 1 56.96 5078 + 5079 41 23.236000 19.886000 7.668000 325 I A 2 "ILE " "HD11" 1 0 1 1 69.55 5079 + 5080 41 22.645000 18.946000 9.028000 325 I A 2 "ILE " "HD12" 1 0 1 1 69.55 5080 + 5081 41 22.069000 18.589000 7.409000 325 I A 2 "ILE " "HD13" 1 0 1 1 69.55 5081 + 5082 25 18.381000 20.322000 11.925000 326 L A 2 "LEU " " N " 7 0 1 1 61.11 5082 + 5083 3 17.418000 19.808000 12.902000 326 L A 2 "LEU " " CA " 6 0 1 1 62.72 5083 + 5084 2 16.301000 20.812000 13.217000 326 L A 2 "LEU " " C " 6 0 1 1 68.13 5084 + 5085 15 15.137000 20.428000 13.153000 326 L A 2 "LEU " " O " 8 0 1 1 77.41 5085 + 5086 3 18.134000 19.384000 14.203000 326 L A 2 "LEU " " CB " 6 0 1 1 56.89 5086 + 5087 3 18.992000 18.107000 14.084000 326 L A 2 "LEU " " CG " 6 0 1 1 64.22 5087 + 5088 3 19.819000 17.892000 15.361000 326 L A 2 "LEU " " CD1" 6 0 1 1 72.65 5088 + 5089 3 18.178000 16.855000 13.709000 326 L A 2 "LEU " " CD2" 6 0 1 1 58.01 5089 + 5090 43 19.325000 20.463000 12.264000 326 L A 2 "LEU " " H " 1 0 1 1 61.11 5090 + 5091 41 16.940000 18.934000 12.458000 326 L A 2 "LEU " " HA " 1 0 1 1 62.72 5091 + 5092 41 17.395000 19.215000 14.989000 326 L A 2 "LEU " " HB3" 1 0 1 1 56.89 5092 + 5093 41 18.750000 20.214000 14.551000 326 L A 2 "LEU " " HB2" 1 0 1 1 56.89 5093 + 5094 41 19.704000 18.259000 13.276000 326 L A 2 "LEU " " HG " 1 0 1 1 64.22 5094 + 5095 41 20.784000 17.455000 15.107000 326 L A 2 "LEU " "HD11" 1 0 1 1 72.65 5095 + 5096 41 20.015000 18.828000 15.886000 326 L A 2 "LEU " "HD12" 1 0 1 1 72.65 5096 + 5097 41 19.322000 17.226000 16.066000 326 L A 2 "LEU " "HD13" 1 0 1 1 72.65 5097 + 5098 41 18.403000 16.002000 14.347000 326 L A 2 "LEU " "HD21" 1 0 1 1 58.01 5098 + 5099 41 17.109000 17.036000 13.775000 326 L A 2 "LEU " "HD22" 1 0 1 1 58.01 5099 + 5100 41 18.392000 16.549000 12.684000 326 L A 2 "LEU " "HD23" 1 0 1 1 58.01 5100 + 5101 25 16.663000 22.072000 13.512000 327 T A 2 "THR " " N " 7 0 1 1 67.03 5101 + 5102 3 15.717000 23.165000 13.769000 327 T A 2 "THR " " CA " 6 0 1 1 66.33 5102 + 5103 2 14.881000 23.556000 12.528000 327 T A 2 "THR " " C " 6 0 1 1 65.65 5103 + 5104 15 13.732000 23.961000 12.702000 327 T A 2 "THR " " O " 8 0 1 1 60.52 5104 + 5105 3 16.430000 24.435000 14.298000 327 T A 2 "THR " " CB " 6 0 1 1 68.37 5105 + 5106 16 17.369000 24.945000 13.370000 327 T A 2 "THR " " OG1" 8 0 1 1 65.33 5106 + 5107 3 17.114000 24.240000 15.661000 327 T A 2 "THR " " CG2" 6 0 1 1 54.41 5107 + 5108 43 17.645000 22.313000 13.546000 327 T A 2 "THR " " H " 1 0 1 1 67.03 5108 + 5109 41 15.019000 22.825000 14.534000 327 T A 2 "THR " " HA " 1 0 1 1 66.33 5109 + 5110 41 15.678000 25.209000 14.431000 327 T A 2 "THR " " HB " 1 0 1 1 68.37 5110 + 5111 42 18.145000 24.377000 13.380000 327 T A 2 "THR " " HG1" 1 0 1 1 65.33 5111 + 5112 41 17.616000 25.154000 15.983000 327 T A 2 "THR " "HG21" 1 0 1 1 54.41 5112 + 5113 41 16.379000 23.988000 16.426000 327 T A 2 "THR " "HG22" 1 0 1 1 54.41 5113 + 5114 41 17.853000 23.441000 15.648000 327 T A 2 "THR " "HG23" 1 0 1 1 54.41 5114 + 5115 25 15.421000 23.364000 11.310000 328 Q A 2 "GLN " " N " 7 0 1 1 64.17 5115 + 5116 3 14.662000 23.462000 10.060000 328 Q A 2 "GLN " " CA " 6 0 1 1 65.23 5116 + 5117 2 13.683000 22.287000 9.875000 328 Q A 2 "GLN " " C " 6 0 1 1 63.94 5117 + 5118 15 12.596000 22.496000 9.347000 328 Q A 2 "GLN " " O " 8 0 1 1 58.31 5118 + 5119 3 15.633000 23.605000 8.864000 328 Q A 2 "GLN " " CB " 6 0 1 1 66.51 5119 + 5120 3 14.992000 23.630000 7.456000 328 Q A 2 "GLN " " CG " 6 0 1 1 70.98 5120 + 5121 2 13.976000 24.762000 7.271000 328 Q A 2 "GLN " " CD " 6 0 1 1 86.8 5121 + 5122 15 14.303000 25.929000 7.474000 328 Q A 2 "GLN " " OE1" 8 0 1 1 87.25 5122 + 5123 25 12.747000 24.430000 6.871000 328 Q A 2 "GLN " " NE2" 7 0 1 1 97.03 5123 + 5124 43 16.383000 23.066000 11.229000 328 Q A 2 "GLN " " H " 1 0 1 1 64.17 5124 + 5125 41 14.065000 24.375000 10.113000 328 Q A 2 "GLN " " HA " 1 0 1 1 65.23 5125 + 5126 41 16.360000 22.793000 8.891000 328 Q A 2 "GLN " " HB3" 1 0 1 1 66.51 5126 + 5127 41 16.212000 24.521000 8.996000 328 Q A 2 "GLN " " HB2" 1 0 1 1 66.51 5127 + 5128 41 14.529000 22.669000 7.229000 328 Q A 2 "GLN " " HG3" 1 0 1 1 70.98 5128 + 5129 41 15.777000 23.763000 6.710000 328 Q A 2 "GLN " " HG2" 1 0 1 1 70.98 5129 + 5130 43 12.052000 25.152000 6.737000 328 Q A 2 "GLN " "HE22" 1 0 1 1 97.03 5130 + 5131 43 12.494000 23.464000 6.726000 328 Q A 2 "GLN " "HE21" 1 0 1 1 97.03 5131 + 5132 25 14.055000 21.078000 10.322000 329 T A 2 "THR " " N " 7 0 1 1 58.32 5132 + 5133 3 13.184000 19.900000 10.279000 329 T A 2 "THR " " CA " 6 0 1 1 54.96 5133 + 5134 2 12.039000 19.962000 11.322000 329 T A 2 "THR " " C " 6 0 1 1 61.16 5134 + 5135 15 11.001000 19.339000 11.100000 329 T A 2 "THR " " O " 8 0 1 1 67.43 5135 + 5136 3 14.001000 18.590000 10.431000 329 T A 2 "THR " " CB " 6 0 1 1 60.54 5136 + 5137 16 14.936000 18.512000 9.373000 329 T A 2 "THR " " OG1" 8 0 1 1 66.51 5137 + 5138 3 13.185000 17.292000 10.395000 329 T A 2 "THR " " CG2" 6 0 1 1 49.5 5138 + 5139 43 14.962000 20.956000 10.750000 329 T A 2 "THR " " H " 1 0 1 1 58.32 5139 + 5140 41 12.708000 19.874000 9.296000 329 T A 2 "THR " " HA " 1 0 1 1 54.96 5140 + 5141 41 14.570000 18.614000 11.360000 329 T A 2 "THR " " HB " 1 0 1 1 60.54 5141 + 5142 42 15.598000 19.199000 9.500000 329 T A 2 "THR " " HG1" 1 0 1 1 66.51 5142 + 5143 41 13.835000 16.416000 10.378000 329 T A 2 "THR " "HG21" 1 0 1 1 49.5 5143 + 5144 41 12.557000 17.206000 11.277000 329 T A 2 "THR " "HG22" 1 0 1 1 49.5 5144 + 5145 41 12.542000 17.248000 9.515000 329 T A 2 "THR " "HG23" 1 0 1 1 49.5 5145 + 5146 25 12.195000 20.790000 12.376000 330 L A 2 "LEU " " N " 7 0 0 1 65.97 5146 + 5147 3 11.124000 21.154000 13.312000 330 L A 2 "LEU " " CA " 6 0 0 1 67.62 5147 + 5148 2 10.024000 22.047000 12.693000 330 L A 2 "LEU " " C " 6 0 0 1 71.46 5148 + 5149 15 9.004000 22.217000 13.351000 330 L A 2 "LEU " " O " 8 0 0 1 75.98 5149 + 5150 3 11.698000 21.826000 14.584000 330 L A 2 "LEU " " CB " 6 0 0 1 64.16 5150 + 5151 3 12.577000 20.937000 15.490000 330 L A 2 "LEU " " CG " 6 0 0 1 62.58 5151 + 5152 3 13.236000 21.785000 16.600000 330 L A 2 "LEU " " CD1" 6 0 0 1 64.59 5152 + 5153 3 11.814000 19.719000 16.053000 330 L A 2 "LEU " " CD2" 6 0 0 1 67.04 5153 + 5154 43 13.078000 21.264000 12.507000 330 L A 2 "LEU " " H " 1 0 0 1 65.97 5154 + 5155 41 10.634000 20.230000 13.613000 330 L A 2 "LEU " " HA " 1 0 0 1 67.62 5155 + 5156 41 10.880000 22.203000 15.199000 330 L A 2 "LEU " " HB3" 1 0 0 1 64.16 5156 + 5157 41 12.267000 22.705000 14.291000 330 L A 2 "LEU " " HB2" 1 0 0 1 64.16 5157 + 5158 41 13.386000 20.540000 14.884000 330 L A 2 "LEU " " HG " 1 0 0 1 62.58 5158 + 5159 41 14.319000 21.766000 16.499000 330 L A 2 "LEU " "HD11" 1 0 0 1 64.59 5159 + 5160 41 12.932000 22.831000 16.555000 330 L A 2 "LEU " "HD12" 1 0 0 1 64.59 5160 + 5161 41 13.002000 21.435000 17.605000 330 L A 2 "LEU " "HD13" 1 0 0 1 64.59 5161 + 5162 41 11.990000 19.561000 17.116000 330 L A 2 "LEU " "HD21" 1 0 0 1 67.04 5162 + 5163 41 10.736000 19.812000 15.922000 330 L A 2 "LEU " "HD22" 1 0 0 1 67.04 5163 + 5164 41 12.126000 18.808000 15.544000 330 L A 2 "LEU " "HD23" 1 0 0 1 67.04 5164 + 5165 25 10.216000 22.582000 11.471000 331 T A 2 "THR " " N " 7 0 0 1 74.66 5165 + 5166 3 9.188000 23.295000 10.692000 331 T A 2 "THR " " CA " 6 0 0 1 76.98 5166 + 5167 2 8.283000 22.322000 9.905000 331 T A 2 "THR " " C " 6 0 0 1 87.84 5167 + 5168 15 7.133000 22.661000 9.624000 331 T A 2 "THR " " O " 8 0 0 1 92.8 5168 + 5169 3 9.848000 24.246000 9.651000 331 T A 2 "THR " " CB " 6 0 0 1 71.37 5169 + 5170 16 10.558000 25.254000 10.343000 331 T A 2 "THR " " OG1" 8 0 0 1 81.15 5170 + 5171 3 8.937000 24.935000 8.617000 331 T A 2 "THR " " CG2" 6 0 0 1 68.79 5171 + 5172 43 11.094000 22.422000 10.998000 331 T A 2 "THR " " H " 1 0 0 1 74.66 5172 + 5173 41 8.559000 23.882000 11.364000 331 T A 2 "THR " " HA " 1 0 0 1 76.98 5173 + 5174 41 10.565000 23.683000 9.064000 331 T A 2 "THR " " HB " 1 0 0 1 71.37 5174 + 5175 42 11.236000 24.837000 10.881000 331 T A 2 "THR " " HG1" 1 0 0 1 81.15 5175 + 5176 41 9.535000 25.549000 7.947000 331 T A 2 "THR " "HG21" 1 0 0 1 68.79 5176 + 5177 41 8.407000 24.231000 7.977000 331 T A 2 "THR " "HG22" 1 0 0 1 68.79 5177 + 5178 41 8.205000 25.581000 9.099000 331 T A 2 "THR " "HG23" 1 0 0 1 68.79 5178 + 5179 25 8.811000 21.138000 9.555000 332 K A 2 "LYS " " N " 7 0 0 1 96.68 5179 + 5180 3 8.155000 20.129000 8.720000 332 K A 2 "LYS " " CA " 6 0 0 1 98.96 5180 + 5181 2 7.191000 19.243000 9.544000 332 K A 2 "LYS " " C " 6 0 0 1 102.47 5181 + 5182 15 7.235000 18.018000 9.419000 332 K A 2 "LYS " " O " 8 0 0 1 104.72 5182 + 5183 3 9.244000 19.299000 7.993000 332 K A 2 "LYS " " CB " 6 0 0 1 99.41 5183 + 5184 3 10.238000 20.122000 7.149000 332 K A 2 "LYS " " CG " 6 0 0 1 105.9 5184 + 5185 3 11.328000 19.238000 6.521000 332 K A 2 "LYS " " CD " 6 0 0 1 116.27 5185 + 5186 3 12.422000 20.043000 5.804000 332 K A 2 "LYS " " CE " 6 0 0 1 125.48 5186 + 5187 32 13.459000 19.156000 5.248000 332 K A 2 "LYS " " NZ " 7 1 0 1 126.81 5187 + 5188 43 9.747000 20.908000 9.860000 332 K A 2 "LYS " " H " 1 0 0 1 96.68 5188 + 5189 41 7.555000 20.632000 7.960000 332 K A 2 "LYS " " HA " 1 0 0 1 98.96 5189 + 5190 41 8.768000 18.561000 7.345000 332 K A 2 "LYS " " HB3" 1 0 0 1 99.41 5190 + 5191 41 9.808000 18.728000 8.733000 332 K A 2 "LYS " " HB2" 1 0 0 1 99.41 5191 + 5192 41 10.718000 20.879000 7.770000 332 K A 2 "LYS " " HG3" 1 0 0 1 105.9 5192 + 5193 41 9.701000 20.661000 6.368000 332 K A 2 "LYS " " HG2" 1 0 0 1 105.9 5193 + 5194 41 10.865000 18.546000 5.817000 332 K A 2 "LYS " " HD3" 1 0 0 1 116.27 5194 + 5195 41 11.784000 18.620000 7.297000 332 K A 2 "LYS " " HD2" 1 0 0 1 116.27 5195 + 5196 41 12.894000 20.739000 6.499000 332 K A 2 "LYS " " HE3" 1 0 0 1 125.48 5196 + 5197 41 11.989000 20.634000 4.996000 332 K A 2 "LYS " " HE2" 1 0 0 1 125.48 5197 + 5198 44 13.888000 18.623000 5.992000 332 K A 2 "LYS " " HZ1" 1 0 0 1 126.81 5198 + 5199 44 13.040000 18.523000 4.582000 332 K A 2 "LYS " " HZ2" 1 0 0 1 126.81 5199 + 5200 44 14.165000 19.707000 4.780000 332 K A 2 "LYS " " HZ3" 1 0 0 1 126.81 5200 + 5201 25 6.341000 19.868000 10.382000 333 Q A 2 "GLN " " N " 7 0 0 1 107.58 5201 + 5202 3 5.371000 19.181000 11.241000 333 Q A 2 "GLN " " CA " 6 0 0 1 111.12 5202 + 5203 2 4.143000 18.795000 10.411000 333 Q A 2 "GLN " " C " 6 0 0 1 112.63 5203 + 5204 15 3.658000 19.618000 9.635000 333 Q A 2 "GLN " " O " 8 0 0 1 114.11 5204 + 5205 3 4.882000 20.087000 12.399000 333 Q A 2 "GLN " " CB " 6 0 0 1 113.55 5205 + 5206 3 5.948000 20.964000 13.083000 333 Q A 2 "GLN " " CG " 6 0 0 1 125.74 5206 + 5207 2 5.740000 22.464000 12.868000 333 Q A 2 "GLN " " CD " 6 0 0 1 124.8 5207 + 5208 15 5.096000 22.905000 11.918000 333 Q A 2 "GLN " " OE1" 8 0 0 1 130.94 5208 + 5209 25 6.325000 23.264000 13.750000 333 Q A 2 "GLN " " NE2" 7 0 0 1 134.92 5209 + 5210 43 6.348000 20.877000 10.439000 333 Q A 2 "GLN " " H " 1 0 0 1 107.58 5210 + 5211 41 5.837000 18.288000 11.664000 333 Q A 2 "GLN " " HA " 1 0 0 1 111.12 5211 + 5212 41 4.457000 19.430000 13.160000 333 Q A 2 "GLN " " HB3" 1 0 0 1 113.55 5212 + 5213 41 4.029000 20.693000 12.087000 333 Q A 2 "GLN " " HB2" 1 0 0 1 113.55 5213 + 5214 41 6.952000 20.697000 12.761000 333 Q A 2 "GLN " " HG3" 1 0 0 1 125.74 5214 + 5215 41 5.922000 20.774000 14.158000 333 Q A 2 "GLN " " HG2" 1 0 0 1 125.74 5215 + 5216 43 6.282000 24.267000 13.645000 333 Q A 2 "GLN " "HE22" 1 0 0 1 134.92 5216 + 5217 43 6.818000 22.875000 14.543000 333 Q A 2 "GLN " "HE21" 1 0 0 1 134.92 5217 + 5218 25 3.617000 17.586000 10.647000 334 D A 2 "ASP " " N " 7 0 0 1 119.35 5218 + 5219 3 2.349000 17.139000 10.075000 334 D A 2 "ASP " " CA " 6 0 0 1 128.56 5219 + 5220 2 1.200000 17.838000 10.835000 334 D A 2 "ASP " " C " 6 0 0 1 135.42 5220 + 5221 15 1.079000 17.650000 12.047000 334 D A 2 "ASP " " O " 8 0 0 1 134.72 5221 + 5222 3 2.244000 15.596000 10.131000 334 D A 2 "ASP " " CB " 6 0 0 1 126.27 5222 + 5223 2 1.136000 15.007000 9.251000 334 D A 2 "ASP " " CG " 6 0 0 1 127.63 5223 + 5224 15 0.786000 15.643000 8.232000 334 D A 2 "ASP " " OD1" 8 0 0 1 134.05 5224 + 5225 18 0.696000 13.885000 9.577000 334 D A 2 "ASP " " OD2" 8 -1 0 1 122.65 5225 + 5226 43 4.045000 16.965000 11.317000 334 D A 2 "ASP " " H " 1 0 0 1 119.35 5226 + 5227 41 2.330000 17.456000 9.030000 334 D A 2 "ASP " " HA " 1 0 0 1 128.56 5227 + 5228 41 2.059000 15.285000 11.161000 334 D A 2 "ASP " " HB3" 1 0 0 1 126.27 5228 + 5229 41 3.188000 15.144000 9.825000 334 D A 2 "ASP " " HB2" 1 0 0 1 126.27 5229 + 5230 25 0.421000 18.664000 10.113000 335 E A 2 "GLU " " N " 7 0 0 1 142.35 5230 + 5231 3 -0.654000 19.519000 10.638000 335 E A 2 "GLU " " CA " 6 0 0 1 144.87 5231 + 5232 2 -1.814000 18.737000 11.276000 335 E A 2 "GLU " " C " 6 0 0 1 146.6 5232 + 5233 15 -2.127000 18.993000 12.439000 335 E A 2 "GLU " " O " 8 0 0 1 145.38 5233 + 5234 3 -1.160000 20.548000 9.593000 335 E A 2 "GLU " " CB " 6 0 0 1 148.11 5234 + 5235 3 -1.189000 20.093000 8.117000 335 E A 2 "GLU " " CG " 6 0 0 1 156.45 5235 + 5236 2 0.177000 20.219000 7.437000 335 E A 2 "GLU " " CD " 6 0 0 1 158.55 5236 + 5237 15 0.597000 21.376000 7.217000 335 E A 2 "GLU " " OE1" 8 0 0 1 163.28 5237 + 5238 18 0.795000 19.165000 7.178000 335 E A 2 "GLU " " OE2" 8 -1 0 1 156.63 5238 + 5239 43 0.592000 18.738000 9.117000 335 E A 2 "GLU " " H " 1 0 0 1 142.35 5239 + 5240 41 -0.211000 20.098000 11.451000 335 E A 2 "GLU " " HA " 1 0 0 1 144.87 5240 + 5241 41 -0.561000 21.455000 9.682000 335 E A 2 "GLU " " HB3" 1 0 0 1 148.11 5241 + 5242 41 -2.168000 20.869000 9.862000 335 E A 2 "GLU " " HB2" 1 0 0 1 148.11 5242 + 5243 41 -1.887000 20.719000 7.561000 335 E A 2 "GLU " " HG3" 1 0 0 1 156.45 5243 + 5244 41 -1.563000 19.072000 8.030000 335 E A 2 "GLU " " HG2" 1 0 0 1 156.45 5244 + 5245 25 -2.377000 17.757000 10.542000 336 N A 2 "ASN " " N " 7 0 0 1 148.95 5245 + 5246 3 -3.144000 16.662000 11.151000 336 N A 2 "ASN " " CA " 6 0 0 1 149.26 5246 + 5247 2 -2.153000 15.770000 11.918000 336 N A 2 "ASN " " C " 6 0 0 1 152.64 5247 + 5248 15 -1.054000 15.548000 11.415000 336 N A 2 "ASN " " O " 8 0 0 1 154.14 5248 + 5249 3 -3.978000 15.886000 10.095000 336 N A 2 "ASN " " CB " 6 0 0 1 145.5 5249 + 5250 2 -3.176000 15.078000 9.064000 336 N A 2 "ASN " " CG " 6 0 0 1 146.17 5250 + 5251 15 -2.878000 15.577000 7.982000 336 N A 2 "ASN " " OD1" 8 0 0 1 141.58 5251 + 5252 25 -2.834000 13.828000 9.390000 336 N A 2 "ASN " " ND2" 7 0 0 1 145.73 5252 + 5253 43 -2.052000 17.595000 9.599000 336 N A 2 "ASN " " H " 1 0 0 1 148.95 5253 + 5254 41 -3.844000 17.073000 11.881000 336 N A 2 "ASN " " HA " 1 0 0 1 149.26 5254 + 5255 41 -4.629000 16.581000 9.562000 336 N A 2 "ASN " " HB3" 1 0 0 1 145.5 5255 + 5256 41 -4.647000 15.195000 10.611000 336 N A 2 "ASN " " HB2" 1 0 0 1 145.5 5256 + 5257 43 -2.257000 13.287000 8.761000 336 N A 2 "ASN " "HD22" 1 0 0 1 145.73 5257 + 5258 43 -3.061000 13.447000 10.297000 336 N A 2 "ASN " "HD21" 1 0 0 1 145.73 5258 + 5259 25 -2.508000 15.328000 13.130000 337 D A 2 "ASP " " N " 7 0 0 1 156.05 5259 + 5260 3 -1.532000 14.749000 14.056000 337 D A 2 "ASP " " CA " 6 0 0 1 159 5260 + 5261 2 -0.912000 13.425000 13.559000 337 D A 2 "ASP " " C " 6 0 0 1 160.3 5261 + 5262 15 -1.629000 12.444000 13.364000 337 D A 2 "ASP " " O " 8 0 0 1 162.03 5262 + 5263 3 -2.044000 14.598000 15.510000 337 D A 2 "ASP " " CB " 6 0 0 1 160.74 5263 + 5264 2 -3.422000 13.949000 15.678000 337 D A 2 "ASP " " CG " 6 0 0 1 162.75 5264 + 5265 15 -4.409000 14.527000 15.170000 337 D A 2 "ASP " " OD1" 8 0 0 1 166.44 5265 + 5266 18 -3.469000 12.910000 16.371000 337 D A 2 "ASP " " OD2" 8 -1 0 1 160.61 5266 + 5267 43 -3.434000 15.490000 13.504000 337 D A 2 "ASP " " H " 1 0 0 1 156.05 5267 + 5268 41 -0.722000 15.481000 14.114000 337 D A 2 "ASP " " HA " 1 0 0 1 159 5268 + 5269 41 -2.076000 15.571000 16.001000 337 D A 2 "ASP " " HB3" 1 0 0 1 160.74 5269 + 5270 41 -1.319000 14.033000 16.095000 337 D A 2 "ASP " " HB2" 1 0 0 1 160.74 5270 + 5271 25 0.429000 13.431000 13.470000 338 D A 2 "ASP " " N " 7 0 0 1 161.32 5271 + 5272 3 1.306000 12.274000 13.658000 338 D A 2 "ASP " " CA " 6 0 0 1 162.23 5272 + 5273 2 1.766000 12.294000 15.127000 338 D A 2 "ASP " " C " 6 0 0 1 161.9 5273 + 5274 15 2.951000 12.502000 15.383000 338 D A 2 "ASP " " O " 8 0 0 1 163.13 5274 + 5275 3 2.531000 12.263000 12.690000 338 D A 2 "ASP " " CB " 6 0 0 1 159.94 5275 + 5276 2 2.316000 11.665000 11.301000 338 D A 2 "ASP " " CG " 6 0 0 1 156.78 5276 + 5277 15 3.266000 11.806000 10.499000 338 D A 2 "ASP " " OD1" 8 0 0 1 155.56 5277 + 5278 18 1.295000 10.972000 11.101000 338 D A 2 "ASP " " OD2" 8 -1 0 1 150.68 5278 + 5279 43 0.899000 14.319000 13.559000 338 D A 2 "ASP " " H " 1 0 0 1 161.32 5279 + 5280 41 0.729000 11.357000 13.526000 338 D A 2 "ASP " " HA " 1 0 0 1 162.23 5280 + 5281 41 3.363000 11.702000 13.115000 338 D A 2 "ASP " " HB3" 1 0 0 1 159.94 5281 + 5282 41 2.872000 13.291000 12.555000 338 D A 2 "ASP " " HB2" 1 0 0 1 159.94 5282 + 5283 25 0.804000 12.136000 16.061000 339 D A 2 "ASP " " N " 7 0 0 1 160.39 5283 + 5284 3 0.951000 12.263000 17.520000 339 D A 2 "ASP " " CA " 6 0 0 1 159.22 5284 + 5285 2 2.192000 11.520000 18.053000 339 D A 2 "ASP " " C " 6 0 0 1 161.46 5285 + 5286 15 3.204000 12.158000 18.354000 339 D A 2 "ASP " " O " 8 0 0 1 161.86 5286 + 5287 3 -0.363000 11.856000 18.248000 339 D A 2 "ASP " " CB " 6 0 0 1 155.94 5287 + 5288 2 -0.340000 11.900000 19.786000 339 D A 2 "ASP " " CG " 6 0 0 1 155.22 5288 + 5289 15 -1.252000 11.278000 20.373000 339 D A 2 "ASP " " OD1" 8 0 0 1 152.43 5289 + 5290 18 0.536000 12.590000 20.354000 339 D A 2 "ASP " " OD2" 8 -1 0 1 156.72 5290 + 5291 43 -0.140000 11.965000 15.743000 339 D A 2 "ASP " " H " 1 0 0 1 160.39 5291 + 5292 41 1.113000 13.326000 17.711000 339 D A 2 "ASP " " HA " 1 0 0 1 159.22 5292 + 5293 41 -0.627000 10.842000 17.945000 339 D A 2 "ASP " " HB3" 1 0 0 1 155.94 5293 + 5294 41 -1.170000 12.510000 17.916000 339 D A 2 "ASP " " HB2" 1 0 0 1 155.94 5294 + 5295 25 2.086000 10.186000 18.110000 340 D A 2 "ASP " " N " 7 0 0 1 161.12 5295 + 5296 3 3.190000 9.280000 18.405000 340 D A 2 "ASP " " CA " 6 0 0 1 158.53 5296 + 5297 2 3.987000 8.952000 17.129000 340 D A 2 "ASP " " C " 6 0 0 1 154.88 5297 + 5298 15 5.182000 8.679000 17.257000 340 D A 2 "ASP " " O " 8 0 0 1 154.36 5298 + 5299 3 2.750000 7.964000 19.090000 340 D A 2 "ASP " " CB " 6 0 0 1 160.05 5299 + 5300 2 1.696000 7.127000 18.348000 340 D A 2 "ASP " " CG " 6 0 0 1 160.06 5300 + 5301 15 0.787000 7.720000 17.726000 340 D A 2 "ASP " " OD1" 8 0 0 1 157.33 5301 + 5302 18 1.792000 5.888000 18.475000 340 D A 2 "ASP " " OD2" 8 -1 0 1 163.87 5302 + 5303 43 1.214000 9.734000 17.861000 340 D A 2 "ASP " " H " 1 0 0 1 161.12 5303 + 5304 41 3.865000 9.782000 19.098000 340 D A 2 "ASP " " HA " 1 0 0 1 158.53 5304 + 5305 41 2.358000 8.185000 20.084000 340 D A 2 "ASP " " HB3" 1 0 0 1 160.05 5305 + 5306 41 3.633000 7.342000 19.244000 340 D A 2 "ASP " " HB2" 1 0 0 1 160.05 5306 + 5307 25 3.321000 8.965000 15.951000 341 D A 2 "ASP " " N " 7 0 0 1 146.98 5307 + 5308 3 3.888000 8.630000 14.638000 341 D A 2 "ASP " " CA " 6 0 0 1 136.22 5308 + 5309 2 5.230000 9.304000 14.352000 341 D A 2 "ASP " " C " 6 0 0 1 124.1 5309 + 5310 15 5.375000 10.520000 14.491000 341 D A 2 "ASP " " O " 8 0 0 1 114.68 5310 + 5311 3 2.934000 8.829000 13.435000 341 D A 2 "ASP " " CB " 6 0 0 1 141.49 5311 + 5312 2 2.040000 7.636000 13.093000 341 D A 2 "ASP " " CG " 6 0 0 1 144.03 5312 + 5313 15 1.765000 6.816000 13.994000 341 D A 2 "ASP " " OD1" 8 0 0 1 142.16 5313 + 5314 18 1.626000 7.579000 11.915000 341 D A 2 "ASP " " OD2" 8 -1 0 1 144.63 5314 + 5315 43 2.332000 9.168000 15.957000 341 D A 2 "ASP " " H " 1 0 0 1 146.98 5315 + 5316 41 4.094000 7.559000 14.718000 341 D A 2 "ASP " " HA " 1 0 0 1 136.22 5316 + 5317 41 3.502000 9.078000 12.536000 341 D A 2 "ASP " " HB3" 1 0 0 1 141.49 5317 + 5318 41 2.272000 9.664000 13.641000 341 D A 2 "ASP " " HB2" 1 0 0 1 141.49 5318 + 5319 25 6.185000 8.441000 13.992000 342 W A 2 "TRP " " N " 7 0 0 1 110.88 5319 + 5320 3 7.594000 8.753000 13.902000 342 W A 2 "TRP " " CA " 6 0 0 1 99.87 5320 + 5321 2 7.923000 9.318000 12.517000 342 W A 2 "TRP " " C " 6 0 0 1 95.84 5321 + 5322 15 8.323000 8.577000 11.619000 342 W A 2 "TRP " " O " 8 0 0 1 97.02 5322 + 5323 3 8.374000 7.476000 14.261000 342 W A 2 "TRP " " CB " 6 0 0 1 93.33 5323 + 5324 2 9.808000 7.709000 14.603000 342 W A 2 "TRP " " CG " 6 0 0 1 85.72 5324 + 5325 2 10.885000 7.315000 13.888000 342 W A 2 "TRP " " CD1" 6 0 0 1 88.28 5325 + 5326 2 10.327000 8.447000 15.747000 342 W A 2 "TRP " " CD2" 6 0 0 1 86.06 5326 + 5327 25 12.034000 7.739000 14.525000 342 W A 2 "TRP " " NE1" 7 0 0 1 76.47 5327 + 5328 2 11.751000 8.446000 15.676000 342 W A 2 "TRP " " CE2" 6 0 0 1 83.82 5328 + 5329 2 9.734000 9.114000 16.844000 342 W A 2 "TRP " " CE3" 6 0 0 1 92.15 5329 + 5330 2 12.546000 9.075000 16.649000 342 W A 2 "TRP " " CZ2" 6 0 0 1 94.09 5330 + 5331 2 10.519000 9.758000 17.819000 342 W A 2 "TRP " " CZ3" 6 0 0 1 100.62 5331 + 5332 2 11.924000 9.735000 17.723000 342 W A 2 "TRP " " CH2" 6 0 0 1 98.91 5332 + 5333 43 5.944000 7.467000 13.878000 342 W A 2 "TRP " " H " 1 0 0 1 110.88 5333 + 5334 41 7.821000 9.512000 14.654000 342 W A 2 "TRP " " HA " 1 0 0 1 99.87 5334 + 5335 41 8.292000 6.720000 13.478000 342 W A 2 "TRP " " HB3" 1 0 0 1 93.33 5335 + 5336 41 7.931000 7.026000 15.151000 342 W A 2 "TRP " " HB2" 1 0 0 1 93.33 5336 + 5337 41 10.836000 6.757000 12.964000 342 W A 2 "TRP " " HD1" 1 0 0 1 88.28 5337 + 5338 43 12.958000 7.544000 14.166000 342 W A 2 "TRP " " HE1" 1 0 0 1 76.47 5338 + 5339 41 8.659000 9.114000 16.937000 342 W A 2 "TRP " " HE3" 1 0 0 1 92.15 5339 + 5340 41 13.623000 9.058000 16.570000 342 W A 2 "TRP " " HZ2" 1 0 0 1 94.09 5340 + 5341 41 10.046000 10.257000 18.652000 342 W A 2 "TRP " " HZ3" 1 0 0 1 100.62 5341 + 5342 41 12.528000 10.223000 18.471000 342 W A 2 "TRP " " HH2" 1 0 0 1 98.91 5342 + 5343 25 7.728000 10.635000 12.390000 343 N A 2 "ASN " " N " 7 0 0 1 87.71 5343 + 5344 3 8.118000 11.438000 11.234000 343 N A 2 "ASN " " CA " 6 0 0 1 81.07 5344 + 5345 2 9.484000 12.119000 11.510000 343 N A 2 "ASN " " C " 6 0 0 1 78.64 5345 + 5346 15 9.939000 12.095000 12.658000 343 N A 2 "ASN " " O " 8 0 0 1 81.73 5346 + 5347 3 6.958000 12.411000 10.876000 343 N A 2 "ASN " " CB " 6 0 0 1 77.52 5347 + 5348 2 6.638000 13.514000 11.899000 343 N A 2 "ASN " " CG " 6 0 0 1 83.72 5348 + 5349 15 6.818000 13.349000 13.103000 343 N A 2 "ASN " " OD1" 8 0 0 1 93.05 5349 + 5350 25 6.142000 14.653000 11.413000 343 N A 2 "ASN " " ND2" 7 0 0 1 80.47 5350 + 5351 43 7.342000 11.154000 13.168000 343 N A 2 "ASN " " H " 1 0 0 1 87.71 5351 + 5352 41 8.259000 10.774000 10.381000 343 N A 2 "ASN " " HA " 1 0 0 1 81.07 5352 + 5353 41 6.047000 11.832000 10.725000 343 N A 2 "ASN " " HB3" 1 0 0 1 77.52 5353 + 5354 41 7.150000 12.884000 9.916000 343 N A 2 "ASN " " HB2" 1 0 0 1 77.52 5354 + 5355 43 5.887000 15.399000 12.042000 343 N A 2 "ASN " "HD22" 1 0 0 1 80.47 5355 + 5356 43 5.970000 14.755000 10.422000 343 N A 2 "ASN " "HD21" 1 0 0 1 80.47 5356 + 5357 25 10.119000 12.739000 10.483000 344 P A 2 "PRO " " N " 7 0 0 1 73.12 5357 + 5358 3 11.400000 13.455000 10.654000 344 P A 2 "PRO " " CA " 6 0 0 1 72.29 5358 + 5359 2 11.399000 14.583000 11.697000 344 P A 2 "PRO " " C " 6 0 0 1 75.65 5359 + 5360 15 12.437000 14.798000 12.315000 344 P A 2 "PRO " " O " 8 0 0 1 82.26 5360 + 5361 3 11.739000 13.979000 9.249000 344 P A 2 "PRO " " CB " 6 0 0 1 64.51 5361 + 5362 3 11.017000 13.027000 8.316000 344 P A 2 "PRO " " CG " 6 0 0 1 77.47 5362 + 5363 3 9.730000 12.730000 9.073000 344 P A 2 "PRO " " CD " 6 0 0 1 80.24 5363 + 5364 41 12.150000 12.718000 10.939000 344 P A 2 "PRO " " HA " 1 0 0 1 72.29 5364 + 5365 41 12.812000 14.009000 9.059000 344 P A 2 "PRO " " HB3" 1 0 0 1 64.51 5365 + 5366 41 11.348000 14.988000 9.106000 344 P A 2 "PRO " " HB2" 1 0 0 1 64.51 5366 + 5367 41 11.600000 12.111000 8.205000 344 P A 2 "PRO " " HG3" 1 0 0 1 77.47 5367 + 5368 41 10.851000 13.445000 7.323000 344 P A 2 "PRO " " HG2" 1 0 0 1 77.47 5368 + 5369 41 9.012000 13.532000 8.896000 344 P A 2 "PRO " " HD2" 1 0 0 1 80.24 5369 + 5370 41 9.287000 11.792000 8.745000 344 P A 2 "PRO " " HD3" 1 0 0 1 80.24 5370 + 5371 25 10.246000 15.249000 11.893000 345 C A 2 "CYS " " N " 7 0 0 1 78.75 5371 + 5372 3 10.038000 16.312000 12.876000 345 C A 2 "CYS " " CA " 6 0 0 1 80.64 5372 + 5373 2 10.204000 15.821000 14.326000 345 C A 2 "CYS " " C " 6 0 0 1 81.52 5373 + 5374 15 11.008000 16.394000 15.061000 345 C A 2 "CYS " " O " 8 0 0 1 95.18 5374 + 5375 3 8.689000 17.025000 12.647000 345 C A 2 "CYS " " CB " 6 0 0 1 84.59 5375 + 5376 49 8.432000 18.417000 13.782000 345 C A 2 "CYS " " SG " 16 0 0 1 94.7 5376 + 5377 43 9.440000 15.004000 11.335000 345 C A 2 "CYS " " H " 1 0 0 1 78.75 5377 + 5378 41 10.817000 17.056000 12.709000 345 C A 2 "CYS " " HA " 1 0 0 1 80.64 5378 + 5379 41 7.861000 16.327000 12.765000 345 C A 2 "CYS " " HB3" 1 0 0 1 84.59 5379 + 5380 41 8.641000 17.409000 11.629000 345 C A 2 "CYS " " HB2" 1 0 0 1 84.59 5380 + 5381 41 9.369000 19.205000 13.250000 345 C A 2 "CYS " " HG " 1 0 0 1 94.7 5381 + 5382 25 9.467000 14.758000 14.699000 346 K A 2 "LYS " " N " 7 0 1 1 73.3 5382 + 5383 3 9.501000 14.161000 16.038000 346 K A 2 "LYS " " CA " 6 0 1 1 76.32 5383 + 5384 2 10.881000 13.561000 16.386000 346 K A 2 "LYS " " C " 6 0 1 1 77.12 5384 + 5385 15 11.322000 13.687000 17.529000 346 K A 2 "LYS " " O " 8 0 1 1 72.54 5385 + 5386 3 8.360000 13.127000 16.154000 346 K A 2 "LYS " " CB " 6 0 1 1 87.14 5386 + 5387 3 8.078000 12.666000 17.594000 346 K A 2 "LYS " " CG " 6 0 1 1 96.92 5387 + 5388 3 6.953000 11.621000 17.674000 346 K A 2 "LYS " " CD " 6 0 1 1 101.59 5388 + 5389 3 6.665000 11.170000 19.115000 346 K A 2 "LYS " " CE " 6 0 1 1 107.76 5389 + 5390 32 5.843000 12.159000 19.834000 346 K A 2 "LYS " " NZ " 7 1 1 1 105.93 5390 + 5391 43 8.837000 14.327000 14.036000 346 K A 2 "LYS " " H " 1 0 1 1 73.3 5391 + 5392 41 9.304000 14.963000 16.752000 346 K A 2 "LYS " " HA " 1 0 1 1 76.32 5392 + 5393 41 8.568000 12.268000 15.512000 346 K A 2 "LYS " " HB3" 1 0 1 1 87.14 5393 + 5394 41 7.441000 13.572000 15.770000 346 K A 2 "LYS " " HB2" 1 0 1 1 87.14 5394 + 5395 41 7.815000 13.534000 18.199000 346 K A 2 "LYS " " HG3" 1 0 1 1 96.92 5395 + 5396 41 8.983000 12.251000 18.036000 346 K A 2 "LYS " " HG2" 1 0 1 1 96.92 5396 + 5397 41 7.213000 10.756000 17.067000 346 K A 2 "LYS " " HD3" 1 0 1 1 101.59 5397 + 5398 41 6.044000 12.022000 17.223000 346 K A 2 "LYS " " HD2" 1 0 1 1 101.59 5398 + 5399 41 7.593000 10.990000 19.659000 346 K A 2 "LYS " " HE3" 1 0 1 1 107.76 5399 + 5400 41 6.123000 10.228000 19.111000 346 K A 2 "LYS " " HE2" 1 0 1 1 107.76 5400 + 5401 44 4.962000 12.273000 19.346000 346 K A 2 "LYS " " HZ1" 1 0 1 1 105.93 5401 + 5402 44 5.662000 11.835000 20.773000 346 K A 2 "LYS " " HZ2" 1 0 1 1 105.93 5402 + 5403 44 6.323000 13.046000 19.866000 346 K A 2 "LYS " " HZ3" 1 0 1 1 105.93 5403 + 5404 25 11.552000 12.977000 15.377000 347 A A 2 "ALA " " N " 7 0 1 1 76.29 5404 + 5405 3 12.919000 12.465000 15.462000 347 A A 2 "ALA " " CA " 6 0 1 1 73.62 5405 + 5406 2 13.977000 13.567000 15.622000 347 A A 2 "ALA " " C " 6 0 1 1 68.94 5406 + 5407 15 14.899000 13.388000 16.415000 347 A A 2 "ALA " " O " 8 0 1 1 71.49 5407 + 5408 3 13.208000 11.610000 14.222000 347 A A 2 "ALA " " CB " 6 0 1 1 74.74 5408 + 5409 43 11.111000 12.909000 14.469000 347 A A 2 "ALA " " H " 1 0 1 1 76.29 5409 + 5410 41 12.983000 11.828000 16.342000 347 A A 2 "ALA " " HA " 1 0 1 1 73.62 5410 + 5411 41 14.180000 11.121000 14.293000 347 A A 2 "ALA " " HB1" 1 0 1 1 74.74 5411 + 5412 41 12.457000 10.828000 14.109000 347 A A 2 "ALA " " HB2" 1 0 1 1 74.74 5412 + 5413 41 13.202000 12.209000 13.311000 347 A A 2 "ALA " " HB3" 1 0 1 1 74.74 5413 + 5414 25 13.817000 14.685000 14.892000 348 A A 2 "ALA " " N " 7 0 1 1 63.7 5414 + 5415 3 14.679000 15.867000 14.968000 348 A A 2 "ALA " " CA " 6 0 1 1 67.59 5415 + 5416 2 14.609000 16.598000 16.319000 348 A A 2 "ALA " " C " 6 0 1 1 65.47 5416 + 5417 15 15.601000 17.214000 16.707000 348 A A 2 "ALA " " O " 8 0 1 1 70.91 5417 + 5418 3 14.339000 16.833000 13.823000 348 A A 2 "ALA " " CB " 6 0 1 1 64.73 5418 + 5419 43 13.045000 14.746000 14.241000 348 A A 2 "ALA " " H " 1 0 1 1 63.7 5419 + 5420 41 15.707000 15.526000 14.836000 348 A A 2 "ALA " " HA " 1 0 1 1 67.59 5420 + 5421 41 14.890000 17.770000 13.910000 348 A A 2 "ALA " " HB1" 1 0 1 1 64.73 5421 + 5422 41 14.597000 16.397000 12.858000 348 A A 2 "ALA " " HB2" 1 0 1 1 64.73 5422 + 5423 41 13.278000 17.084000 13.804000 348 A A 2 "ALA " " HB3" 1 0 1 1 64.73 5423 + 5424 25 13.463000 16.483000 17.014000 349 G A 2 "GLY " " N " 7 0 1 1 63.98 5424 + 5425 3 13.253000 16.997000 18.364000 349 G A 2 "GLY " " CA " 6 0 1 1 64.07 5425 + 5426 2 14.055000 16.162000 19.368000 349 G A 2 "GLY " " C " 6 0 1 1 70.81 5426 + 5427 15 14.865000 16.724000 20.101000 349 G A 2 "GLY " " O " 8 0 1 1 79.78 5427 + 5428 43 12.695000 15.974000 16.598000 349 G A 2 "GLY " " H " 1 0 1 1 63.98 5428 + 5429 41 12.193000 16.942000 18.610000 349 G A 2 "GLY " " HA3" 1 0 1 1 64.07 5429 + 5430 41 13.547000 18.047000 18.422000 349 G A 2 "GLY " " HA2" 1 0 1 1 64.07 5430 + 5431 25 13.871000 14.827000 19.358000 350 V A 2 "VAL " " N " 7 0 1 1 72.29 5431 + 5432 3 14.599000 13.862000 20.195000 350 V A 2 "VAL " " CA " 6 0 1 1 72.55 5432 + 5433 2 16.129000 13.893000 19.991000 350 V A 2 "VAL " " C " 6 0 1 1 75.78 5433 + 5434 15 16.861000 13.761000 20.971000 350 V A 2 "VAL " " O " 8 0 1 1 83.03 5434 + 5435 3 14.052000 12.416000 19.984000 350 V A 2 "VAL " " CB " 6 0 1 1 73.35 5435 + 5436 3 14.947000 11.264000 20.497000 350 V A 2 "VAL " " CG1" 6 0 1 1 72.63 5436 + 5437 3 12.649000 12.284000 20.605000 350 V A 2 "VAL " " CG2" 6 0 1 1 79.35 5437 + 5438 43 13.196000 14.430000 18.719000 350 V A 2 "VAL " " H " 1 0 1 1 72.29 5438 + 5439 41 14.421000 14.149000 21.232000 350 V A 2 "VAL " " HA " 1 0 1 1 72.55 5439 + 5440 41 13.936000 12.259000 18.910000 350 V A 2 "VAL " " HB " 1 0 1 1 73.35 5440 + 5441 41 14.443000 10.303000 20.396000 350 V A 2 "VAL " "HG11" 1 0 1 1 72.63 5441 + 5442 41 15.878000 11.183000 19.934000 350 V A 2 "VAL " "HG12" 1 0 1 1 72.63 5442 + 5443 41 15.198000 11.396000 21.550000 350 V A 2 "VAL " "HG13" 1 0 1 1 72.63 5443 + 5444 41 12.234000 11.287000 20.463000 350 V A 2 "VAL " "HG21" 1 0 1 1 79.35 5444 + 5445 41 12.676000 12.474000 21.678000 350 V A 2 "VAL " "HG22" 1 0 1 1 79.35 5445 + 5446 41 11.948000 12.991000 20.162000 350 V A 2 "VAL " "HG23" 1 0 1 1 79.35 5446 + 5447 25 16.573000 14.119000 18.743000 351 C A 2 "CYS " " N " 7 0 1 1 73.4 5447 + 5448 3 17.975000 14.293000 18.371000 351 C A 2 "CYS " " CA " 6 0 1 1 72.28 5448 + 5449 2 18.580000 15.590000 18.947000 351 C A 2 "CYS " " C " 6 0 1 1 70.96 5449 + 5450 15 19.715000 15.548000 19.418000 351 C A 2 "CYS " " O " 8 0 1 1 69.6 5450 + 5451 3 18.161000 14.189000 16.845000 351 C A 2 "CYS " " CB " 6 0 1 1 78.1 5451 + 5452 49 19.911000 14.209000 16.342000 351 C A 2 "CYS " " SG " 16 0 1 1 60.4 5452 + 5453 43 15.902000 14.188000 17.988000 351 C A 2 "CYS " " H " 1 0 1 1 73.4 5453 + 5454 41 18.521000 13.456000 18.809000 351 C A 2 "CYS " " HA " 1 0 1 1 72.28 5454 + 5455 41 17.630000 14.994000 16.338000 351 C A 2 "CYS " " HB3" 1 0 1 1 78.1 5455 + 5456 41 17.727000 13.253000 16.494000 351 C A 2 "CYS " " HB2" 1 0 1 1 78.1 5456 + 5457 41 20.160000 15.456000 16.749000 351 C A 2 "CYS " " HG " 1 0 1 1 60.4 5457 + 5458 25 17.811000 16.697000 18.947000 352 L A 2 "LEU " " N " 7 0 1 1 71.04 5458 + 5459 3 18.202000 17.967000 19.573000 352 L A 2 "LEU " " CA " 6 0 1 1 68.19 5459 + 5460 2 18.341000 17.867000 21.102000 352 L A 2 "LEU " " C " 6 0 1 1 72.22 5460 + 5461 15 19.273000 18.462000 21.643000 352 L A 2 "LEU " " O " 8 0 1 1 79.7 5461 + 5462 3 17.220000 19.106000 19.192000 352 L A 2 "LEU " " CB " 6 0 1 1 61.68 5462 + 5463 3 17.805000 20.159000 18.227000 352 L A 2 "LEU " " CG " 6 0 1 1 64.35 5463 + 5464 3 16.737000 21.210000 17.861000 352 L A 2 "LEU " " CD1" 6 0 1 1 69.73 5464 + 5465 3 19.093000 20.819000 18.768000 352 L A 2 "LEU " " CD2" 6 0 1 1 74.32 5465 + 5466 43 16.885000 16.665000 18.543000 352 L A 2 "LEU " " H " 1 0 1 1 71.04 5466 + 5467 41 19.192000 18.204000 19.181000 352 L A 2 "LEU " " HA " 1 0 1 1 68.19 5467 + 5468 41 16.884000 19.636000 20.083000 352 L A 2 "LEU " " HB3" 1 0 1 1 61.68 5468 + 5469 41 16.309000 18.685000 18.766000 352 L A 2 "LEU " " HB2" 1 0 1 1 61.68 5469 + 5470 41 18.069000 19.636000 17.308000 352 L A 2 "LEU " " HG " 1 0 1 1 64.35 5470 + 5471 41 16.645000 21.296000 16.777000 352 L A 2 "LEU " "HD11" 1 0 1 1 69.73 5471 + 5472 41 15.754000 20.944000 18.250000 352 L A 2 "LEU " "HD12" 1 0 1 1 69.73 5472 + 5473 41 16.966000 22.204000 18.248000 352 L A 2 "LEU " "HD13" 1 0 1 1 69.73 5473 + 5474 41 19.110000 21.896000 18.607000 352 L A 2 "LEU " "HD21" 1 0 1 1 74.32 5474 + 5475 41 19.221000 20.654000 19.838000 352 L A 2 "LEU " "HD22" 1 0 1 1 74.32 5475 + 5476 41 19.974000 20.415000 18.267000 352 L A 2 "LEU " "HD23" 1 0 1 1 74.32 5476 + 5477 25 17.451000 17.100000 21.760000 353 M A 2 "MET " " N " 7 0 1 1 69.67 5477 + 5478 3 17.551000 16.782000 23.188000 353 M A 2 "MET " " CA " 6 0 1 1 70.79 5478 + 5479 2 18.795000 15.940000 23.511000 353 M A 2 "MET " " C " 6 0 1 1 73.15 5479 + 5480 15 19.471000 16.237000 24.494000 353 M A 2 "MET " " O " 8 0 1 1 78.42 5480 + 5481 3 16.283000 16.070000 23.703000 353 M A 2 "MET " " CB " 6 0 1 1 74.11 5481 + 5482 3 14.994000 16.893000 23.575000 353 M A 2 "MET " " CG " 6 0 1 1 81.01 5482 + 5483 49 13.646000 16.392000 24.681000 353 M A 2 "MET " " SD " 16 0 1 1 74.16 5483 + 5484 3 13.397000 14.673000 24.162000 353 M A 2 "MET " " CE " 6 0 1 1 81.72 5484 + 5485 43 16.699000 16.657000 21.249000 353 M A 2 "MET " " H " 1 0 1 1 69.67 5485 + 5486 41 17.649000 17.726000 23.730000 353 M A 2 "MET " " HA " 1 0 1 1 70.79 5486 + 5487 41 16.421000 15.798000 24.751000 353 M A 2 "MET " " HB3" 1 0 1 1 74.11 5487 + 5488 41 16.154000 15.130000 23.166000 353 M A 2 "MET " " HB2" 1 0 1 1 74.11 5488 + 5489 41 14.621000 16.866000 22.555000 353 M A 2 "MET " " HG3" 1 0 1 1 81.01 5489 + 5490 41 15.216000 17.934000 23.794000 353 M A 2 "MET " " HG2" 1 0 1 1 81.01 5490 + 5491 41 12.590000 14.223000 24.740000 353 M A 2 "MET " " HE1" 1 0 1 1 81.72 5491 + 5492 41 13.126000 14.633000 23.108000 353 M A 2 "MET " " HE2" 1 0 1 1 81.72 5492 + 5493 41 14.299000 14.082000 24.318000 353 M A 2 "MET " " HE3" 1 0 1 1 81.72 5493 + 5494 25 19.097000 14.944000 22.658000 354 L A 2 "LEU " " N " 7 0 1 1 72.26 5494 + 5495 3 20.295000 14.103000 22.740000 354 L A 2 "LEU " " CA " 6 0 1 1 65.36 5495 + 5496 2 21.601000 14.894000 22.584000 354 L A 2 "LEU " " C " 6 0 1 1 73.3 5496 + 5497 15 22.533000 14.642000 23.342000 354 L A 2 "LEU " " O " 8 0 1 1 85.45 5497 + 5498 3 20.224000 12.972000 21.686000 354 L A 2 "LEU " " CB " 6 0 1 1 57.39 5498 + 5499 3 19.753000 11.618000 22.246000 354 L A 2 "LEU " " CG " 6 0 1 1 70.99 5499 + 5500 3 19.417000 10.628000 21.111000 354 L A 2 "LEU " " CD1" 6 0 1 1 70.85 5500 + 5501 3 20.782000 11.041000 23.239000 354 L A 2 "LEU " " CD2" 6 0 1 1 75.24 5501 + 5502 43 18.477000 14.751000 21.883000 354 L A 2 "LEU " " H " 1 0 1 1 72.26 5502 + 5503 41 20.302000 13.674000 23.743000 354 L A 2 "LEU " " HA " 1 0 1 1 65.36 5503 + 5504 41 21.196000 12.812000 21.214000 354 L A 2 "LEU " " HB3" 1 0 1 1 57.39 5504 + 5505 41 19.568000 13.279000 20.873000 354 L A 2 "LEU " " HB2" 1 0 1 1 57.39 5505 + 5506 41 18.829000 11.803000 22.795000 354 L A 2 "LEU " " HG " 1 0 1 1 70.99 5506 + 5507 41 19.965000 9.688000 21.187000 354 L A 2 "LEU " "HD11" 1 0 1 1 70.85 5507 + 5508 41 18.356000 10.379000 21.120000 354 L A 2 "LEU " "HD12" 1 0 1 1 70.85 5508 + 5509 41 19.639000 11.045000 20.128000 354 L A 2 "LEU " "HD13" 1 0 1 1 70.85 5509 + 5510 41 20.293000 10.688000 24.147000 354 L A 2 "LEU " "HD21" 1 0 1 1 75.24 5510 + 5511 41 21.337000 10.208000 22.815000 354 L A 2 "LEU " "HD22" 1 0 1 1 75.24 5511 + 5512 41 21.532000 11.774000 23.536000 354 L A 2 "LEU " "HD23" 1 0 1 1 75.24 5512 + 5513 25 21.633000 15.846000 21.635000 355 L A 2 "LEU " " N " 7 0 1 1 71.19 5513 + 5514 3 22.741000 16.782000 21.432000 355 L A 2 "LEU " " CA " 6 0 1 1 69.61 5514 + 5515 2 22.951000 17.717000 22.631000 355 L A 2 "LEU " " C " 6 0 1 1 73.54 5515 + 5516 15 24.100000 18.026000 22.936000 355 L A 2 "LEU " " O " 8 0 1 1 75.86 5516 + 5517 3 22.507000 17.616000 20.154000 355 L A 2 "LEU " " CB " 6 0 1 1 61.67 5517 + 5518 3 22.942000 16.923000 18.848000 355 L A 2 "LEU " " CG " 6 0 1 1 59.88 5518 + 5519 3 22.370000 17.649000 17.619000 355 L A 2 "LEU " " CD1" 6 0 1 1 70.72 5519 + 5520 3 24.473000 16.765000 18.741000 355 L A 2 "LEU " " CD2" 6 0 1 1 63.89 5520 + 5521 43 20.833000 15.965000 21.027000 355 L A 2 "LEU " " H " 1 0 1 1 71.19 5521 + 5522 41 23.654000 16.196000 21.318000 355 L A 2 "LEU " " HA " 1 0 1 1 69.61 5522 + 5523 41 23.050000 18.560000 20.209000 355 L A 2 "LEU " " HB3" 1 0 1 1 61.67 5523 + 5524 41 21.454000 17.893000 20.105000 355 L A 2 "LEU " " HB2" 1 0 1 1 61.67 5524 + 5525 41 22.501000 15.925000 18.856000 355 L A 2 "LEU " " HG " 1 0 1 1 59.88 5525 + 5526 41 22.145000 16.925000 16.836000 355 L A 2 "LEU " "HD11" 1 0 1 1 70.72 5526 + 5527 41 21.448000 18.182000 17.849000 355 L A 2 "LEU " "HD12" 1 0 1 1 70.72 5527 + 5528 41 23.066000 18.378000 17.204000 355 L A 2 "LEU " "HD13" 1 0 1 1 70.72 5528 + 5529 41 24.743000 15.719000 18.630000 355 L A 2 "LEU " "HD21" 1 0 1 1 63.89 5529 + 5530 41 24.884000 17.270000 17.870000 355 L A 2 "LEU " "HD22" 1 0 1 1 63.89 5530 + 5531 41 24.998000 17.152000 19.615000 355 L A 2 "LEU " "HD23" 1 0 1 1 63.89 5531 + 5532 25 21.856000 18.130000 23.294000 356 A A 2 "ALA " " N " 7 0 1 1 77.21 5532 + 5533 3 21.900000 18.996000 24.468000 356 A A 2 "ALA " " CA " 6 0 1 1 81.35 5533 + 5534 2 22.509000 18.324000 25.703000 356 A A 2 "ALA " " C " 6 0 1 1 80.53 5534 + 5535 15 23.319000 18.954000 26.380000 356 A A 2 "ALA " " O " 8 0 1 1 91.51 5535 + 5536 3 20.506000 19.570000 24.761000 356 A A 2 "ALA " " CB " 6 0 1 1 90.99 5536 + 5537 43 20.939000 17.840000 22.982000 356 A A 2 "ALA " " H " 1 0 1 1 77.21 5537 + 5538 41 22.563000 19.811000 24.205000 356 A A 2 "ALA " " HA " 1 0 1 1 81.35 5538 + 5539 41 20.555000 20.315000 25.555000 356 A A 2 "ALA " " HB1" 1 0 1 1 90.99 5539 + 5540 41 20.083000 20.055000 23.881000 356 A A 2 "ALA " " HB2" 1 0 1 1 90.99 5540 + 5541 41 19.806000 18.798000 25.079000 356 A A 2 "ALA " " HB3" 1 0 1 1 90.99 5541 + 5542 25 22.152000 17.050000 25.933000 357 T A 2 "THR " " N " 7 0 1 1 72.55 5542 + 5543 3 22.705000 16.207000 26.994000 357 T A 2 "THR " " CA " 6 0 1 1 77.05 5543 + 5544 2 24.079000 15.590000 26.639000 357 T A 2 "THR " " C " 6 0 1 1 81.7 5544 + 5545 15 24.700000 15.010000 27.527000 357 T A 2 "THR " " O " 8 0 1 1 86.86 5545 + 5546 3 21.722000 15.059000 27.355000 357 T A 2 "THR " " CB " 6 0 1 1 78.22 5546 + 5547 16 21.571000 14.117000 26.306000 357 T A 2 "THR " " OG1" 8 0 1 1 81.79 5547 + 5548 3 20.339000 15.566000 27.794000 357 T A 2 "THR " " CG2" 6 0 1 1 82.53 5548 + 5549 43 21.470000 16.606000 25.331000 357 T A 2 "THR " " H " 1 0 1 1 72.55 5549 + 5550 41 22.853000 16.814000 27.888000 357 T A 2 "THR " " HA " 1 0 1 1 77.05 5550 + 5551 41 22.137000 14.506000 28.199000 357 T A 2 "THR " " HB " 1 0 1 1 78.22 5551 + 5552 42 22.414000 13.677000 26.162000 357 T A 2 "THR " " HG1" 1 0 1 1 81.79 5552 + 5553 41 19.687000 14.740000 28.079000 357 T A 2 "THR " "HG21" 1 0 1 1 82.53 5553 + 5554 41 20.436000 16.223000 28.658000 357 T A 2 "THR " "HG22" 1 0 1 1 82.53 5554 + 5555 41 19.834000 16.131000 27.014000 357 T A 2 "THR " "HG23" 1 0 1 1 82.53 5555 + 5556 25 24.531000 15.725000 25.379000 358 C A 2 "CYS " " N " 7 0 1 1 79.31 5556 + 5557 3 25.831000 15.253000 24.890000 358 C A 2 "CYS " " CA " 6 0 1 1 79.95 5557 + 5558 2 26.877000 16.385000 24.859000 358 C A 2 "CYS " " C " 6 0 1 1 81.04 5558 + 5559 15 28.069000 16.099000 24.979000 358 C A 2 "CYS " " O " 8 0 1 1 82.51 5559 + 5560 3 25.670000 14.574000 23.507000 358 C A 2 "CYS " " CB " 6 0 1 1 79.2 5560 + 5561 49 27.208000 13.892000 22.814000 358 C A 2 "CYS " " SG " 16 0 1 1 71.08 5561 + 5562 43 23.947000 16.192000 24.701000 358 C A 2 "CYS " " H " 1 0 1 1 79.31 5562 + 5563 41 26.217000 14.501000 25.577000 358 C A 2 "CYS " " HA " 1 0 1 1 79.95 5563 + 5564 41 25.253000 15.275000 22.785000 358 C A 2 "CYS " " HB3" 1 0 1 1 79.2 5564 + 5565 41 24.965000 13.746000 23.587000 358 C A 2 "CYS " " HB2" 1 0 1 1 79.2 5565 + 5566 41 27.858000 15.057000 22.734000 358 C A 2 "CYS " " HG " 1 0 1 1 71.08 5566 + 5567 25 26.423000 17.638000 24.686000 359 C A 2 "CYS " " N " 7 0 0 1 81.01 5567 + 5568 3 27.258000 18.825000 24.510000 359 C A 2 "CYS " " CA " 6 0 0 1 82.38 5568 + 5569 2 26.732000 19.924000 25.451000 359 C A 2 "CYS " " C " 6 0 0 1 85.47 5569 + 5570 15 26.267000 20.959000 24.971000 359 C A 2 "CYS " " O " 8 0 0 1 84.66 5570 + 5571 3 27.273000 19.303000 23.034000 359 C A 2 "CYS " " CB " 6 0 0 1 79.93 5571 + 5572 49 27.926000 18.038000 21.906000 359 C A 2 "CYS " " SG " 16 0 0 1 82.87 5572 + 5573 43 25.427000 17.792000 24.607000 359 C A 2 "CYS " " H " 1 0 0 1 81.01 5573 + 5574 41 28.286000 18.620000 24.816000 359 C A 2 "CYS " " HA " 1 0 0 1 82.38 5574 + 5575 41 27.895000 20.193000 22.932000 359 C A 2 "CYS " " HB3" 1 0 0 1 79.93 5575 + 5576 41 26.273000 19.576000 22.696000 359 C A 2 "CYS " " HB2" 1 0 0 1 79.93 5576 + 5577 41 26.908000 17.187000 22.059000 359 C A 2 "CYS " " HG " 1 0 0 1 82.87 5577 + 5578 25 26.790000 19.661000 26.770000 360 E A 2 "GLU " " N " 7 0 0 1 92.98 5578 + 5579 3 26.300000 20.506000 27.872000 360 E A 2 "GLU " " CA " 6 0 0 1 102.41 5579 + 5580 2 27.106000 21.815000 28.056000 360 E A 2 "GLU " " C " 6 0 0 1 104.52 5580 + 5581 15 27.762000 21.988000 29.081000 360 E A 2 "GLU " " O " 8 0 0 1 111.28 5581 + 5582 3 26.305000 19.693000 29.193000 360 E A 2 "GLU " " CB " 6 0 0 1 112.4 5582 + 5583 3 25.590000 18.327000 29.172000 360 E A 2 "GLU " " CG " 6 0 0 1 123.42 5583 + 5584 2 26.573000 17.161000 29.085000 360 E A 2 "GLU " " CD " 6 0 0 1 125.77 5584 + 5585 15 27.281000 17.086000 28.058000 360 E A 2 "GLU " " OE1" 8 0 0 1 124.15 5585 + 5586 18 26.611000 16.377000 30.059000 360 E A 2 "GLU " " OE2" 8 -1 0 1 130.53 5586 + 5587 43 27.160000 18.764000 27.066000 360 E A 2 "GLU " " H " 1 0 0 1 92.98 5587 + 5588 41 25.268000 20.780000 27.645000 360 E A 2 "GLU " " HA " 1 0 0 1 102.41 5588 + 5589 41 25.865000 20.305000 29.977000 360 E A 2 "GLU " " HB3" 1 0 0 1 112.4 5589 + 5590 41 27.335000 19.542000 29.522000 360 E A 2 "GLU " " HB2" 1 0 0 1 112.4 5590 + 5591 41 24.874000 18.266000 28.354000 360 E A 2 "GLU " " HG3" 1 0 0 1 123.42 5591 + 5592 41 25.016000 18.202000 30.090000 360 E A 2 "GLU " " HG2" 1 0 0 1 123.42 5592 + 5593 25 27.045000 22.705000 27.059000 361 D A 2 "ASP " " N " 7 0 0 1 108.08 5593 + 5594 3 27.832000 23.929000 26.898000 361 D A 2 "ASP " " CA " 6 0 0 1 110.3 5594 + 5595 2 27.576000 24.429000 25.479000 361 D A 2 "ASP " " C " 6 0 0 1 112.9 5595 + 5596 15 26.861000 25.414000 25.298000 361 D A 2 "ASP " " O " 8 0 0 1 114.57 5596 + 5597 3 29.372000 23.766000 27.117000 361 D A 2 "ASP " " CB " 6 0 0 1 111.7 5597 + 5598 2 29.872000 24.216000 28.487000 361 D A 2 "ASP " " CG " 6 0 0 1 112.84 5598 + 5599 15 29.652000 25.409000 28.793000 361 D A 2 "ASP " " OD1" 8 0 0 1 124.39 5599 + 5600 18 30.557000 23.408000 29.151000 361 D A 2 "ASP " " OD2" 8 -1 0 1 95.12 5600 + 5601 43 26.480000 22.460000 26.256000 361 D A 2 "ASP " " H " 1 0 0 1 108.08 5601 + 5602 41 27.425000 24.667000 27.592000 361 D A 2 "ASP " " HA " 1 0 0 1 110.3 5602 + 5603 41 29.969000 24.310000 26.383000 361 D A 2 "ASP " " HB3" 1 0 0 1 111.7 5603 + 5604 41 29.651000 22.720000 26.976000 361 D A 2 "ASP " " HB2" 1 0 0 1 111.7 5604 + 5605 25 28.195000 23.724000 24.517000 362 D A 2 "ASP " " N " 7 0 0 1 109.13 5605 + 5606 3 28.306000 24.069000 23.102000 362 D A 2 "ASP " " CA " 6 0 0 1 104.07 5606 + 5607 2 26.964000 24.100000 22.361000 362 D A 2 "ASP " " C " 6 0 0 1 97.94 5607 + 5608 15 26.867000 24.816000 21.368000 362 D A 2 "ASP " " O " 8 0 0 1 96.54 5608 + 5609 3 29.301000 23.170000 22.323000 362 D A 2 "ASP " " CB " 6 0 0 1 106.04 5609 + 5610 2 30.585000 22.785000 23.068000 362 D A 2 "ASP " " CG " 6 0 0 1 113.01 5610 + 5611 15 30.472000 22.044000 24.069000 362 D A 2 "ASP " " OD1" 8 0 0 1 107.41 5611 + 5612 18 31.666000 23.173000 22.574000 362 D A 2 "ASP " " OD2" 8 -1 0 1 120.21 5612 + 5613 43 28.762000 22.932000 24.794000 362 D A 2 "ASP " " H " 1 0 0 1 109.13 5613 + 5614 41 28.700000 25.087000 23.072000 362 D A 2 "ASP " " HA " 1 0 0 1 104.07 5614 + 5615 41 29.584000 23.673000 21.397000 362 D A 2 "ASP " " HB3" 1 0 0 1 106.04 5615 + 5616 41 28.829000 22.242000 22.001000 362 D A 2 "ASP " " HB2" 1 0 0 1 106.04 5616 + 5617 25 25.961000 23.346000 22.841000 363 I A 2 "ILE " " N " 7 0 0 1 94.4 5617 + 5618 3 24.629000 23.277000 22.242000 363 I A 2 "ILE " " CA " 6 0 0 1 90.46 5618 + 5619 2 23.891000 24.632000 22.212000 363 I A 2 "ILE " " C " 6 0 0 1 88.27 5619 + 5620 15 23.418000 25.019000 21.145000 363 I A 2 "ILE " " O " 8 0 0 1 85.14 5620 + 5621 3 23.731000 22.213000 22.944000 363 I A 2 "ILE " " CB " 6 0 0 1 91.43 5621 + 5622 3 22.402000 21.964000 22.191000 363 I A 2 "ILE " " CG1" 6 0 0 1 80.16 5622 + 5623 3 23.449000 22.533000 24.430000 363 I A 2 "ILE " " CG2" 6 0 0 1 94.19 5623 + 5624 3 22.584000 21.438000 20.762000 363 I A 2 "ILE " " CD1" 6 0 0 1 71.57 5624 + 5625 43 26.117000 22.771000 23.658000 363 I A 2 "ILE " " H " 1 0 0 1 94.4 5625 + 5626 41 24.781000 22.967000 21.207000 363 I A 2 "ILE " " HA " 1 0 0 1 90.46 5626 + 5627 41 24.290000 21.276000 22.929000 363 I A 2 "ILE " " HB " 1 0 0 1 91.43 5627 + 5628 41 21.809000 22.877000 22.161000 363 I A 2 "ILE " "HG13" 1 0 0 1 80.16 5628 + 5629 41 21.788000 21.252000 22.737000 363 I A 2 "ILE " "HG12" 1 0 0 1 80.16 5629 + 5630 41 23.106000 21.665000 24.984000 363 I A 2 "ILE " "HG21" 1 0 0 1 94.19 5630 + 5631 41 24.341000 22.890000 24.943000 363 I A 2 "ILE " "HG22" 1 0 0 1 94.19 5631 + 5632 41 22.671000 23.288000 24.542000 363 I A 2 "ILE " "HG23" 1 0 0 1 94.19 5632 + 5633 41 21.734000 20.825000 20.462000 363 I A 2 "ILE " "HD11" 1 0 0 1 71.57 5633 + 5634 41 22.673000 22.255000 20.047000 363 I A 2 "ILE " "HD12" 1 0 0 1 71.57 5634 + 5635 41 23.480000 20.824000 20.677000 363 I A 2 "ILE " "HD13" 1 0 0 1 71.57 5635 + 5636 25 23.827000 25.321000 23.367000 364 V A 2 "VAL " " N " 7 0 1 1 83.12 5636 + 5637 3 23.052000 26.542000 23.584000 364 V A 2 "VAL " " CA " 6 0 1 1 75.55 5637 + 5638 2 23.354000 27.672000 22.572000 364 V A 2 "VAL " " C " 6 0 1 1 76.94 5638 + 5639 15 22.393000 28.103000 21.939000 364 V A 2 "VAL " " O " 8 0 1 1 72.15 5639 + 5640 3 23.176000 27.077000 25.044000 364 V A 2 "VAL " " CB " 6 0 1 1 67.76 5640 + 5641 3 22.413000 28.393000 25.311000 364 V A 2 "VAL " " CG1" 6 0 1 1 65.18 5641 + 5642 3 22.740000 26.022000 26.073000 364 V A 2 "VAL " " CG2" 6 0 1 1 66.06 5642 + 5643 43 24.288000 24.945000 24.183000 364 V A 2 "VAL " " H " 1 0 1 1 83.12 5643 + 5644 41 22.010000 26.252000 23.434000 364 V A 2 "VAL " " HA " 1 0 1 1 75.55 5644 + 5645 41 24.225000 27.273000 25.254000 364 V A 2 "VAL " " HB " 1 0 1 1 67.76 5645 + 5646 41 22.462000 28.666000 26.366000 364 V A 2 "VAL " "HG11" 1 0 1 1 65.18 5646 + 5647 41 22.831000 29.232000 24.755000 364 V A 2 "VAL " "HG12" 1 0 1 1 65.18 5647 + 5648 41 21.360000 28.304000 25.043000 364 V A 2 "VAL " "HG13" 1 0 1 1 65.18 5648 + 5649 41 22.805000 26.410000 27.090000 364 V A 2 "VAL " "HG21" 1 0 1 1 66.06 5649 + 5650 41 21.712000 25.699000 25.906000 364 V A 2 "VAL " "HG22" 1 0 1 1 66.06 5650 + 5651 41 23.383000 25.145000 26.031000 364 V A 2 "VAL " "HG23" 1 0 1 1 66.06 5651 + 5652 25 24.633000 28.079000 22.355000 365 P A 2 "PRO " " N " 7 0 1 1 80.65 5652 + 5653 3 24.960000 29.157000 21.399000 365 P A 2 "PRO " " CA " 6 0 1 1 82.53 5653 + 5654 2 24.676000 28.874000 19.911000 365 P A 2 "PRO " " C " 6 0 1 1 88.55 5654 + 5655 15 24.562000 29.840000 19.159000 365 P A 2 "PRO " " O " 8 0 1 1 84.05 5655 + 5656 3 26.452000 29.443000 21.645000 365 P A 2 "PRO " " CB " 6 0 1 1 80.07 5656 + 5657 3 26.998000 28.147000 22.209000 365 P A 2 "PRO " " CG " 6 0 1 1 86.79 5657 + 5658 3 25.844000 27.663000 23.070000 365 P A 2 "PRO " " CD " 6 0 1 1 81.66 5658 + 5659 41 24.385000 30.047000 21.666000 365 P A 2 "PRO " " HA " 1 0 1 1 82.53 5659 + 5660 41 26.549000 30.235000 22.389000 365 P A 2 "PRO " " HB3" 1 0 1 1 80.07 5660 + 5661 41 26.996000 29.769000 20.757000 365 P A 2 "PRO " " HB2" 1 0 1 1 80.07 5661 + 5662 41 27.929000 28.269000 22.763000 365 P A 2 "PRO " " HG3" 1 0 1 1 86.79 5662 + 5663 41 27.178000 27.445000 21.395000 365 P A 2 "PRO " " HG2" 1 0 1 1 86.79 5663 + 5664 41 25.933000 26.597000 23.233000 365 P A 2 "PRO " " HD2" 1 0 1 1 81.66 5664 + 5665 41 25.874000 28.162000 24.039000 365 P A 2 "PRO " " HD3" 1 0 1 1 81.66 5665 + 5666 25 24.549000 27.597000 19.506000 366 H A 2 "HIS " " N " 7 0 1 1 93.67 5666 + 5667 3 24.157000 27.225000 18.142000 366 H A 2 "HIS " " CA " 6 0 1 1 87.77 5667 + 5668 2 22.636000 27.281000 17.926000 366 H A 2 "HIS " " C " 6 0 1 1 84.92 5668 + 5669 15 22.209000 27.615000 16.821000 366 H A 2 "HIS " " O " 8 0 1 1 80.58 5669 + 5670 3 24.694000 25.826000 17.782000 366 H A 2 "HIS " " CB " 6 0 1 1 89.92 5670 + 5671 2 26.190000 25.756000 17.616000 366 H A 2 "HIS " " CG " 6 0 1 1 91.94 5671 + 5672 25 27.047000 25.407000 18.641000 366 H A 2 "HIS " " ND1" 7 0 1 1 94.19 5672 + 5673 2 26.998000 25.965000 16.520000 366 H A 2 "HIS " " CD2" 6 0 1 1 96.69 5673 + 5674 2 28.286000 25.415000 18.149000 366 H A 2 "HIS " " CE1" 6 0 1 1 99.99 5674 + 5675 25 28.334000 25.747000 16.865000 366 H A 2 "HIS " " NE2" 7 0 1 1 103.38 5675 + 5676 43 24.661000 26.841000 20.167000 366 H A 2 "HIS " " H " 1 0 1 1 93.67 5676 + 5677 41 24.599000 27.933000 17.438000 366 H A 2 "HIS " " HA " 1 0 1 1 87.77 5677 + 5678 41 24.256000 25.486000 16.842000 366 H A 2 "HIS " " HB3" 1 0 1 1 89.92 5678 + 5679 41 24.390000 25.097000 18.535000 366 H A 2 "HIS " " HB2" 1 0 1 1 89.92 5679 + 5680 43 26.795000 25.184000 19.599000 366 H A 2 "HIS " " HD1" 1 0 1 1 94.19 5680 + 5681 41 26.721000 26.254000 15.517000 366 H A 2 "HIS " " HD2" 1 0 1 1 96.69 5681 + 5682 41 29.161000 25.176000 18.735000 366 H A 2 "HIS " " HE1" 1 0 1 1 99.99 5682 + 5683 25 21.852000 26.936000 18.961000 367 V A 2 "VAL " " N " 7 0 1 1 80.72 5683 + 5684 3 20.394000 26.817000 18.873000 367 V A 2 "VAL " " CA " 6 0 1 1 80.06 5684 + 5685 2 19.684000 28.161000 19.158000 367 V A 2 "VAL " " C " 6 0 1 1 85.72 5685 + 5686 15 18.686000 28.448000 18.500000 367 V A 2 "VAL " " O " 8 0 1 1 91.29 5686 + 5687 3 19.857000 25.721000 19.841000 367 V A 2 "VAL " " CB " 6 0 1 1 76.87 5687 + 5688 3 18.333000 25.515000 19.756000 367 V A 2 "VAL " " CG1" 6 0 1 1 73.21 5688 + 5689 3 20.514000 24.353000 19.577000 367 V A 2 "VAL " " CG2" 6 0 1 1 83.94 5689 + 5690 43 22.272000 26.670000 19.842000 367 V A 2 "VAL " " H " 1 0 1 1 80.72 5690 + 5691 41 20.124000 26.518000 17.858000 367 V A 2 "VAL " " HA " 1 0 1 1 80.06 5691 + 5692 41 20.107000 26.016000 20.861000 367 V A 2 "VAL " " HB " 1 0 1 1 76.87 5692 + 5693 41 18.003000 24.726000 20.430000 367 V A 2 "VAL " "HG11" 1 0 1 1 73.21 5693 + 5694 41 17.775000 26.406000 20.015000 367 V A 2 "VAL " "HG12" 1 0 1 1 73.21 5694 + 5695 41 18.038000 25.227000 18.747000 367 V A 2 "VAL " "HG13" 1 0 1 1 73.21 5695 + 5696 41 20.224000 23.617000 20.324000 367 V A 2 "VAL " "HG21" 1 0 1 1 83.94 5696 + 5697 41 20.209000 23.959000 18.610000 367 V A 2 "VAL " "HG22" 1 0 1 1 83.94 5697 + 5698 41 21.599000 24.400000 19.573000 367 V A 2 "VAL " "HG23" 1 0 1 1 83.94 5698 + 5699 25 20.224000 28.972000 20.090000 368 L A 2 "LEU " " N " 7 0 1 1 87.26 5699 + 5700 3 19.729000 30.306000 20.470000 368 L A 2 "LEU " " CA " 6 0 1 1 82.78 5700 + 5701 2 19.457000 31.313000 19.333000 368 L A 2 "LEU " " C " 6 0 1 1 86.31 5701 + 5702 15 18.392000 31.928000 19.381000 368 L A 2 "LEU " " O " 8 0 1 1 86.89 5702 + 5703 3 20.643000 30.953000 21.537000 368 L A 2 "LEU " " CB " 6 0 1 1 76.3 5703 + 5704 3 19.901000 31.320000 22.835000 368 L A 2 "LEU " " CG " 6 0 1 1 75.99 5704 + 5705 3 20.901000 31.683000 23.943000 368 L A 2 "LEU " " CD1" 6 0 1 1 76.69 5705 + 5706 3 18.856000 32.431000 22.625000 368 L A 2 "LEU " " CD2" 6 0 1 1 61.89 5706 + 5707 43 21.048000 28.659000 20.587000 368 L A 2 "LEU " " H " 1 0 1 1 87.26 5707 + 5708 41 18.760000 30.125000 20.931000 368 L A 2 "LEU " " HA " 1 0 1 1 82.78 5708 + 5709 41 21.147000 31.840000 21.150000 368 L A 2 "LEU " " HB3" 1 0 1 1 76.3 5709 + 5710 41 21.456000 30.280000 21.782000 368 L A 2 "LEU " " HB2" 1 0 1 1 76.3 5710 + 5711 41 19.373000 30.427000 23.176000 368 L A 2 "LEU " " HG " 1 0 1 1 75.99 5711 + 5712 41 20.691000 31.096000 24.832000 368 L A 2 "LEU " "HD11" 1 0 1 1 76.69 5712 + 5713 41 21.934000 31.478000 23.660000 368 L A 2 "LEU " "HD12" 1 0 1 1 76.69 5713 + 5714 41 20.853000 32.737000 24.214000 368 L A 2 "LEU " "HD13" 1 0 1 1 76.69 5714 + 5715 41 18.742000 33.054000 23.511000 368 L A 2 "LEU " "HD21" 1 0 1 1 61.89 5715 + 5716 41 19.122000 33.083000 21.795000 368 L A 2 "LEU " "HD22" 1 0 1 1 61.89 5716 + 5717 41 17.875000 32.004000 22.411000 368 L A 2 "LEU " "HD23" 1 0 1 1 61.89 5717 + 5718 25 20.361000 31.470000 18.333000 369 P A 2 "PRO " " N " 7 0 1 1 89.05 5718 + 5719 3 20.102000 32.365000 17.189000 369 P A 2 "PRO " " CA " 6 0 1 1 88.52 5719 + 5720 2 18.863000 32.001000 16.352000 369 P A 2 "PRO " " C " 6 0 1 1 87.34 5720 + 5721 15 18.162000 32.919000 15.932000 369 P A 2 "PRO " " O " 8 0 1 1 84.8 5721 + 5722 3 21.403000 32.341000 16.368000 369 P A 2 "PRO " " CB " 6 0 1 1 89.56 5722 + 5723 3 22.121000 31.080000 16.811000 369 P A 2 "PRO " " CG " 6 0 1 1 91.45 5723 + 5724 3 21.739000 30.979000 18.278000 369 P A 2 "PRO " " CD " 6 0 1 1 84.06 5724 + 5725 41 19.949000 33.378000 17.569000 369 P A 2 "PRO " " HA " 1 0 1 1 88.52 5725 + 5726 41 22.005000 33.212000 16.628000 369 P A 2 "PRO " " HB3" 1 0 1 1 89.56 5726 + 5727 41 21.247000 32.369000 15.289000 369 P A 2 "PRO " " HB2" 1 0 1 1 89.56 5727 + 5728 41 23.199000 31.109000 16.646000 369 P A 2 "PRO " " HG3" 1 0 1 1 91.45 5728 + 5729 41 21.719000 30.224000 16.269000 369 P A 2 "PRO " " HG2" 1 0 1 1 91.45 5729 + 5730 41 21.899000 29.965000 18.626000 369 P A 2 "PRO " " HD2" 1 0 1 1 84.06 5730 + 5731 41 22.365000 31.637000 18.882000 369 P A 2 "PRO " " HD3" 1 0 1 1 84.06 5731 + 5732 25 18.577000 30.694000 16.186000 370 F A 2 "PHE " " N " 7 0 1 1 88.34 5732 + 5733 3 17.336000 30.211000 15.576000 370 F A 2 "PHE " " CA " 6 0 1 1 89.42 5733 + 5734 2 16.097000 30.569000 16.416000 370 F A 2 "PHE " " C " 6 0 1 1 90.27 5734 + 5735 15 15.117000 31.052000 15.849000 370 F A 2 "PHE " " O " 8 0 1 1 95.77 5735 + 5736 3 17.418000 28.693000 15.282000 370 F A 2 "PHE " " CB " 6 0 1 1 93.04 5736 + 5737 2 16.168000 28.087000 14.659000 370 F A 2 "PHE " " CG " 6 0 1 1 91.03 5737 + 5738 2 15.081000 27.683000 15.466000 370 F A 2 "PHE " " CD1" 6 0 1 1 82.9 5738 + 5739 2 16.007000 28.095000 13.256000 370 F A 2 "PHE " " CD2" 6 0 1 1 89.97 5739 + 5740 2 13.894000 27.274000 14.876000 370 F A 2 "PHE " " CE1" 6 0 1 1 75.76 5740 + 5741 2 14.815000 27.664000 12.687000 370 F A 2 "PHE " " CE2" 6 0 1 1 86.81 5741 + 5742 2 13.761000 27.260000 13.495000 370 F A 2 "PHE " " CZ " 6 0 1 1 79.59 5742 + 5743 43 19.194000 29.991000 16.569000 370 F A 2 "PHE " " H " 1 0 1 1 88.34 5743 + 5744 41 17.229000 30.719000 14.615000 370 F A 2 "PHE " " HA " 1 0 1 1 89.42 5744 + 5745 41 17.640000 28.141000 16.194000 370 F A 2 "PHE " " HB3" 1 0 1 1 93.04 5745 + 5746 41 18.255000 28.503000 14.609000 370 F A 2 "PHE " " HB2" 1 0 1 1 93.04 5746 + 5747 41 15.162000 27.705000 16.543000 370 F A 2 "PHE " " HD1" 1 0 1 1 82.9 5747 + 5748 41 16.809000 28.438000 12.619000 370 F A 2 "PHE " " HD2" 1 0 1 1 89.97 5748 + 5749 41 13.069000 26.966000 15.494000 370 F A 2 "PHE " " HE1" 1 0 1 1 75.76 5749 + 5750 41 14.702000 27.660000 11.613000 370 F A 2 "PHE " " HE2" 1 0 1 1 86.81 5750 + 5751 41 12.833000 26.939000 13.044000 370 F A 2 "PHE " " HZ " 1 0 1 1 79.59 5751 + 5752 25 16.171000 30.329000 17.740000 371 I A 2 "ILE " " N " 7 0 1 1 84.23 5752 + 5753 3 15.085000 30.593000 18.687000 371 I A 2 "ILE " " CA " 6 0 1 1 85.3 5753 + 5754 2 14.683000 32.078000 18.687000 371 I A 2 "ILE " " C " 6 0 1 1 85.84 5754 + 5755 15 13.519000 32.363000 18.431000 371 I A 2 "ILE " " O " 8 0 1 1 88.77 5755 + 5756 3 15.407000 30.155000 20.149000 371 I A 2 "ILE " " CB " 6 0 1 1 82.29 5756 + 5757 3 15.663000 28.634000 20.244000 371 I A 2 "ILE " " CG1" 6 0 1 1 84.46 5757 + 5758 3 14.319000 30.571000 21.171000 371 I A 2 "ILE " " CG2" 6 0 1 1 78.61 5758 + 5759 3 16.500000 28.218000 21.462000 371 I A 2 "ILE " " CD1" 6 0 1 1 87.85 5759 + 5760 43 17.016000 29.930000 18.127000 371 I A 2 "ILE " " H " 1 0 1 1 84.23 5760 + 5761 41 14.226000 30.013000 18.348000 371 I A 2 "ILE " " HA " 1 0 1 1 85.3 5761 + 5762 41 16.332000 30.650000 20.445000 371 I A 2 "ILE " " HB " 1 0 1 1 82.29 5762 + 5763 41 16.182000 28.279000 19.355000 371 I A 2 "ILE " "HG13" 1 0 1 1 84.46 5763 + 5764 41 14.717000 28.096000 20.251000 371 I A 2 "ILE " "HG12" 1 0 1 1 84.46 5764 + 5765 41 14.557000 30.225000 22.171000 371 I A 2 "ILE " "HG21" 1 0 1 1 78.61 5765 + 5766 41 14.212000 31.652000 21.260000 371 I A 2 "ILE " "HG22" 1 0 1 1 78.61 5766 + 5767 41 13.345000 30.162000 20.903000 371 I A 2 "ILE " "HG23" 1 0 1 1 78.61 5767 + 5768 41 16.400000 27.153000 21.649000 371 I A 2 "ILE " "HD11" 1 0 1 1 87.85 5768 + 5769 41 17.558000 28.392000 21.294000 371 I A 2 "ILE " "HD12" 1 0 1 1 87.85 5769 + 5770 41 16.223000 28.746000 22.370000 371 I A 2 "ILE " "HD13" 1 0 1 1 87.85 5770 + 5771 25 15.647000 32.986000 18.919000 372 K A 2 "LYS " " N " 7 0 1 1 92.02 5771 + 5772 3 15.428000 34.435000 18.929000 372 K A 2 "LYS " " CA " 6 0 1 1 98.67 5772 + 5773 2 14.906000 35.014000 17.603000 372 K A 2 "LYS " " C " 6 0 1 1 98.3 5773 + 5774 15 14.093000 35.937000 17.646000 372 K A 2 "LYS " " O " 8 0 1 1 98.85 5774 + 5775 3 16.710000 35.162000 19.387000 372 K A 2 "LYS " " CB " 6 0 1 1 103.15 5775 + 5776 3 16.875000 35.178000 20.915000 372 K A 2 "LYS " " CG " 6 0 1 1 105.85 5776 + 5777 3 18.107000 35.973000 21.377000 372 K A 2 "LYS " " CD " 6 0 1 1 104.41 5777 + 5778 3 18.121000 36.199000 22.897000 372 K A 2 "LYS " " CE " 6 0 1 1 110.52 5778 + 5779 32 19.344000 36.891000 23.336000 372 K A 2 "LYS " " NZ " 7 1 1 1 110.76 5779 + 5780 43 16.594000 32.672000 19.092000 372 K A 2 "LYS " " H " 1 0 1 1 92.02 5780 + 5781 41 14.648000 34.622000 19.671000 372 K A 2 "LYS " " HA " 1 0 1 1 98.67 5781 + 5782 41 16.667000 36.204000 19.066000 372 K A 2 "LYS " " HB3" 1 0 1 1 103.15 5782 + 5783 41 17.589000 34.737000 18.900000 372 K A 2 "LYS " " HB2" 1 0 1 1 103.15 5783 + 5784 41 16.931000 34.156000 21.289000 372 K A 2 "LYS " " HG3" 1 0 1 1 105.85 5784 + 5785 41 15.982000 35.616000 21.363000 372 K A 2 "LYS " " HG2" 1 0 1 1 105.85 5785 + 5786 41 18.137000 36.936000 20.865000 372 K A 2 "LYS " " HD3" 1 0 1 1 104.41 5786 + 5787 41 19.010000 35.440000 21.075000 372 K A 2 "LYS " " HD2" 1 0 1 1 104.41 5787 + 5788 41 18.050000 35.250000 23.427000 372 K A 2 "LYS " " HE3" 1 0 1 1 110.52 5788 + 5789 41 17.257000 36.794000 23.197000 372 K A 2 "LYS " " HE2" 1 0 1 1 110.52 5789 + 5790 44 19.313000 37.020000 24.338000 372 K A 2 "LYS " " HZ1" 1 0 1 1 110.76 5790 + 5791 44 20.153000 36.336000 23.095000 372 K A 2 "LYS " " HZ2" 1 0 1 1 110.76 5791 + 5792 44 19.407000 37.792000 22.883000 372 K A 2 "LYS " " HZ3" 1 0 1 1 110.76 5792 + 5793 25 15.355000 34.458000 16.465000 373 E A 2 "GLU " " N " 7 0 1 1 98.94 5793 + 5794 3 14.929000 34.881000 15.131000 373 E A 2 "GLU " " CA " 6 0 1 1 99.91 5794 + 5795 2 13.474000 34.499000 14.800000 373 E A 2 "GLU " " C " 6 0 1 1 98.62 5795 + 5796 15 12.804000 35.274000 14.118000 373 E A 2 "GLU " " O " 8 0 1 1 94.46 5796 + 5797 3 15.935000 34.346000 14.088000 373 E A 2 "GLU " " CB " 6 0 1 1 103.38 5797 + 5798 3 15.632000 34.736000 12.628000 373 E A 2 "GLU " " CG " 6 0 1 1 107.95 5798 + 5799 2 16.731000 34.266000 11.677000 373 E A 2 "GLU " " CD " 6 0 1 1 118.54 5799 + 5800 15 16.811000 33.038000 11.454000 373 E A 2 "GLU " " OE1" 8 0 1 1 125.27 5800 + 5801 18 17.476000 35.144000 11.189000 373 E A 2 "GLU " " OE2" 8 -1 1 1 125.24 5801 + 5802 43 16.026000 33.703000 16.502000 373 E A 2 "GLU " " H " 1 0 1 1 98.94 5802 + 5803 41 14.985000 35.971000 15.100000 373 E A 2 "GLU " " HA " 1 0 1 1 99.91 5803 + 5804 41 15.989000 33.258000 14.165000 373 E A 2 "GLU " " HB3" 1 0 1 1 103.38 5804 + 5805 41 16.929000 34.715000 14.345000 373 E A 2 "GLU " " HB2" 1 0 1 1 103.38 5805 + 5806 41 15.522000 35.818000 12.544000 373 E A 2 "GLU " " HG3" 1 0 1 1 107.95 5806 + 5807 41 14.691000 34.299000 12.293000 373 E A 2 "GLU " " HG2" 1 0 1 1 107.95 5807 + 5808 25 13.021000 33.324000 15.273000 374 H A 2 "HIS " " N " 7 0 1 1 102.92 5808 + 5809 3 11.753000 32.722000 14.858000 374 H A 2 "HIS " " CA " 6 0 1 1 106.93 5809 + 5810 2 10.694000 32.602000 15.965000 374 H A 2 "HIS " " C " 6 0 1 1 107.62 5810 + 5811 15 9.595000 32.154000 15.654000 374 H A 2 "HIS " " O " 8 0 1 1 113.26 5811 + 5812 3 12.031000 31.368000 14.177000 374 H A 2 "HIS " " CB " 6 0 1 1 106.03 5812 + 5813 2 12.795000 31.484000 12.886000 374 H A 2 "HIS " " CG " 6 0 1 1 108.41 5813 + 5814 25 12.251000 32.088000 11.750000 374 H A 2 "HIS " " ND1" 7 0 1 1 112.43 5814 + 5815 2 14.080000 31.078000 12.602000 374 H A 2 "HIS " " CD2" 6 0 1 1 109.97 5815 + 5816 2 13.209000 32.023000 10.836000 374 H A 2 "HIS " " CE1" 6 0 1 1 109.31 5816 + 5817 25 14.313000 31.428000 11.285000 374 H A 2 "HIS " " NE2" 7 0 1 1 111.47 5817 + 5818 43 13.629000 32.746000 15.837000 374 H A 2 "HIS " " H " 1 0 1 1 102.92 5818 + 5819 41 11.281000 33.356000 14.108000 374 H A 2 "HIS " " HA " 1 0 1 1 106.93 5819 + 5820 41 11.099000 30.854000 13.950000 374 H A 2 "HIS " " HB3" 1 0 1 1 106.03 5820 + 5821 41 12.593000 30.712000 14.840000 374 H A 2 "HIS " " HB2" 1 0 1 1 106.03 5821 + 5822 41 14.829000 30.603000 13.216000 374 H A 2 "HIS " " HD2" 1 0 1 1 109.97 5822 + 5823 41 13.109000 32.421000 9.837000 374 H A 2 "HIS " " HE1" 1 0 1 1 109.31 5823 + 5824 43 15.186000 31.325000 10.785000 374 H A 2 "HIS " " HE2" 1 0 1 1 111.47 5824 + 5825 25 10.981000 33.024000 17.209000 375 I A 2 "ILE " " N " 7 0 0 1 102.86 5825 + 5826 3 10.026000 33.001000 18.331000 375 I A 2 "ILE " " CA " 6 0 0 1 99.42 5826 + 5827 2 8.797000 33.921000 18.127000 375 I A 2 "ILE " " C " 6 0 0 1 102.7 5827 + 5828 15 7.726000 33.611000 18.648000 375 I A 2 "ILE " " O " 8 0 0 1 99.84 5828 + 5829 3 10.725000 33.333000 19.688000 375 I A 2 "ILE " " CB " 6 0 0 1 94.57 5829 + 5830 3 9.859000 33.101000 20.946000 375 I A 2 "ILE " " CG1" 6 0 0 1 84.43 5830 + 5831 3 11.358000 34.738000 19.729000 375 I A 2 "ILE " " CG2" 6 0 0 1 103.51 5831 + 5832 3 9.435000 31.636000 21.119000 375 I A 2 "ILE " " CD1" 6 0 0 1 70.6 5832 + 5833 43 11.912000 33.359000 17.420000 375 I A 2 "ILE " " H " 1 0 0 1 102.86 5833 + 5834 41 9.645000 31.981000 18.384000 375 I A 2 "ILE " " HA " 1 0 0 1 99.42 5834 + 5835 41 11.542000 32.623000 19.794000 375 I A 2 "ILE " " HB " 1 0 0 1 94.57 5835 + 5836 41 8.983000 33.750000 20.952000 375 I A 2 "ILE " "HG13" 1 0 0 1 84.43 5836 + 5837 41 10.432000 33.385000 21.830000 375 I A 2 "ILE " "HG12" 1 0 0 1 84.43 5837 + 5838 41 11.987000 34.855000 20.611000 375 I A 2 "ILE " "HG21" 1 0 0 1 103.51 5838 + 5839 41 11.989000 34.916000 18.860000 375 I A 2 "ILE " "HG22" 1 0 0 1 103.51 5839 + 5840 41 10.607000 35.523000 19.760000 375 I A 2 "ILE " "HG23" 1 0 0 1 103.51 5840 + 5841 41 9.015000 31.470000 22.111000 375 I A 2 "ILE " "HD11" 1 0 0 1 70.6 5841 + 5842 41 8.683000 31.355000 20.384000 375 I A 2 "ILE " "HD12" 1 0 0 1 70.6 5842 + 5843 41 10.281000 30.958000 21.003000 375 I A 2 "ILE " "HD13" 1 0 0 1 70.6 5843 + 5844 25 8.965000 34.989000 17.327000 376 K A 2 "LYS " " N " 7 0 0 1 104.02 5844 + 5845 3 7.915000 35.919000 16.910000 376 K A 2 "LYS " " CA " 6 0 0 1 110.16 5845 + 5846 2 7.697000 35.863000 15.383000 376 K A 2 "LYS " " C " 6 0 0 1 112.81 5846 + 5847 15 7.404000 36.895000 14.777000 376 K A 2 "LYS " " O " 8 0 0 1 117.18 5847 + 5848 3 8.270000 37.343000 17.397000 376 K A 2 "LYS " " CB " 6 0 0 1 114.67 5848 + 5849 3 8.205000 37.519000 18.921000 376 K A 2 "LYS " " CG " 6 0 0 1 120.88 5849 + 5850 3 8.579000 38.945000 19.348000 376 K A 2 "LYS " " CD " 6 0 0 1 123.26 5850 + 5851 3 8.641000 39.092000 20.870000 376 K A 2 "LYS " " CE " 6 0 0 1 125.35 5851 + 5852 32 8.962000 40.471000 21.271000 376 K A 2 "LYS " " NZ " 7 1 0 1 122.32 5852 + 5853 43 9.878000 35.153000 16.928000 376 K A 2 "LYS " " H " 1 0 0 1 104.02 5853 + 5854 41 6.960000 35.637000 17.356000 376 K A 2 "LYS " " HA " 1 0 0 1 110.16 5854 + 5855 41 7.573000 38.067000 16.971000 376 K A 2 "LYS " " HB3" 1 0 0 1 114.67 5855 + 5856 41 9.259000 37.622000 17.030000 376 K A 2 "LYS " " HB2" 1 0 0 1 114.67 5856 + 5857 41 8.866000 36.808000 19.408000 376 K A 2 "LYS " " HG3" 1 0 0 1 120.88 5857 + 5858 41 7.199000 37.284000 19.272000 376 K A 2 "LYS " " HG2" 1 0 0 1 120.88 5858 + 5859 41 7.850000 39.647000 18.942000 376 K A 2 "LYS " " HD3" 1 0 0 1 123.26 5859 + 5860 41 9.543000 39.215000 18.915000 376 K A 2 "LYS " " HD2" 1 0 0 1 123.26 5860 + 5861 41 9.406000 38.424000 21.267000 376 K A 2 "LYS " " HE3" 1 0 0 1 125.35 5861 + 5862 41 7.686000 38.809000 21.314000 376 K A 2 "LYS " " HE2" 1 0 0 1 125.35 5862 + 5863 44 8.248000 41.097000 20.927000 376 K A 2 "LYS " " HZ1" 1 0 0 1 122.32 5863 + 5864 44 9.001000 40.530000 22.279000 376 K A 2 "LYS " " HZ2" 1 0 0 1 122.32 5864 + 5865 44 9.856000 40.736000 20.883000 376 K A 2 "LYS " " HZ3" 1 0 0 1 122.32 5865 + 5866 25 7.827000 34.670000 14.772000 377 N A 2 "ASN " " N " 7 0 0 1 115.92 5866 + 5867 3 7.573000 34.471000 13.341000 377 N A 2 "ASN " " CA " 6 0 0 1 112.74 5867 + 5868 2 6.048000 34.416000 13.066000 377 N A 2 "ASN " " C " 6 0 0 1 108.39 5868 + 5869 15 5.355000 33.693000 13.785000 377 N A 2 "ASN " " O " 8 0 0 1 101.63 5869 + 5870 3 8.249000 33.164000 12.866000 377 N A 2 "ASN " " CB " 6 0 0 1 114.14 5870 + 5871 2 8.432000 33.134000 11.344000 377 N A 2 "ASN " " CG " 6 0 0 1 112.84 5871 + 5872 15 7.480000 32.901000 10.607000 377 N A 2 "ASN " " OD1" 8 0 0 1 115.99 5872 + 5873 25 9.647000 33.379000 10.855000 377 N A 2 "ASN " " ND2" 7 0 0 1 104.32 5873 + 5874 43 8.077000 33.850000 15.307000 377 N A 2 "ASN " " H " 1 0 0 1 115.92 5874 + 5875 41 8.041000 35.288000 12.796000 377 N A 2 "ASN " " HA " 1 0 0 1 112.74 5875 + 5876 41 7.713000 32.277000 13.209000 377 N A 2 "ASN " " HB3" 1 0 0 1 114.14 5876 + 5877 41 9.245000 33.096000 13.295000 377 N A 2 "ASN " " HB2" 1 0 0 1 114.14 5877 + 5878 43 9.799000 33.368000 9.858000 377 N A 2 "ASN " "HD22" 1 0 0 1 104.32 5878 + 5879 43 10.436000 33.525000 11.471000 377 N A 2 "ASN " "HD21" 1 0 0 1 104.32 5879 + 5880 25 5.547000 35.138000 12.031000 378 P A 2 "PRO " " N " 7 0 0 1 105.7 5880 + 5881 3 4.150000 35.018000 11.556000 378 P A 2 "PRO " " CA " 6 0 0 1 103.63 5881 + 5882 2 3.670000 33.611000 11.152000 378 P A 2 "PRO " " C " 6 0 0 1 103.68 5882 + 5883 15 2.485000 33.330000 11.324000 378 P A 2 "PRO " " O " 8 0 0 1 98.49 5883 + 5884 3 4.076000 35.967000 10.349000 378 P A 2 "PRO " " CB " 6 0 0 1 101.45 5884 + 5885 3 5.171000 36.984000 10.594000 378 P A 2 "PRO " " CG " 6 0 0 1 103.12 5885 + 5886 3 6.261000 36.164000 11.266000 378 P A 2 "PRO " " CD " 6 0 0 1 105.01 5886 + 5887 41 3.509000 35.398000 12.354000 378 P A 2 "PRO " " HA " 1 0 0 1 103.63 5887 + 5888 41 3.096000 36.434000 10.241000 378 P A 2 "PRO " " HB3" 1 0 0 1 101.45 5888 + 5889 41 4.289000 35.434000 9.420000 378 P A 2 "PRO " " HB2" 1 0 0 1 101.45 5889 + 5890 41 4.807000 37.742000 11.289000 378 P A 2 "PRO " " HG3" 1 0 0 1 103.12 5890 + 5891 41 5.505000 37.491000 9.688000 378 P A 2 "PRO " " HG2" 1 0 0 1 103.12 5891 + 5892 41 6.897000 35.681000 10.523000 378 P A 2 "PRO " " HD2" 1 0 0 1 105.01 5892 + 5893 41 6.875000 36.819000 11.885000 378 P A 2 "PRO " " HD3" 1 0 0 1 105.01 5893 + 5894 25 4.574000 32.761000 10.636000 379 D A 2 "ASP " " N " 7 0 0 1 105.54 5894 + 5895 3 4.293000 31.363000 10.320000 379 D A 2 "ASP " " CA " 6 0 0 1 105.93 5895 + 5896 2 4.330000 30.555000 11.625000 379 D A 2 "ASP " " C " 6 0 0 1 105.53 5896 + 5897 15 5.361000 30.549000 12.298000 379 D A 2 "ASP " " O " 8 0 0 1 105.61 5897 + 5898 3 5.294000 30.789000 9.287000 379 D A 2 "ASP " " CB " 6 0 0 1 106.96 5898 + 5899 2 4.941000 29.385000 8.780000 379 D A 2 "ASP " " CG " 6 0 0 1 109.62 5899 + 5900 15 3.736000 29.053000 8.759000 379 D A 2 "ASP " " OD1" 8 0 0 1 111.09 5900 + 5901 18 5.881000 28.682000 8.356000 379 D A 2 "ASP " " OD2" 8 -1 0 1 117.76 5901 + 5902 43 5.539000 33.049000 10.528000 379 D A 2 "ASP " " H " 1 0 0 1 105.54 5902 + 5903 41 3.289000 31.313000 9.892000 379 D A 2 "ASP " " HA " 1 0 0 1 105.93 5903 + 5904 41 6.285000 30.738000 9.740000 379 D A 2 "ASP " " HB3" 1 0 0 1 106.96 5904 + 5905 41 5.366000 31.456000 8.427000 379 D A 2 "ASP " " HB2" 1 0 0 1 106.96 5905 + 5906 25 3.216000 29.866000 11.925000 380 W A 2 "TRP " " N " 7 0 1 1 103.44 5906 + 5907 3 3.049000 29.005000 13.100000 380 W A 2 "TRP " " CA " 6 0 1 1 104.81 5907 + 5908 2 4.064000 27.849000 13.169000 380 W A 2 "TRP " " C " 6 0 1 1 105.4 5908 + 5909 15 4.350000 27.384000 14.268000 380 W A 2 "TRP " " O " 8 0 1 1 108.57 5909 + 5910 3 1.604000 28.465000 13.133000 380 W A 2 "TRP " " CB " 6 0 1 1 103.65 5910 + 5911 2 1.221000 27.470000 12.070000 380 W A 2 "TRP " " CG " 6 0 1 1 105.63 5911 + 5912 2 0.768000 27.776000 10.832000 380 W A 2 "TRP " " CD1" 6 0 1 1 109.6 5912 + 5913 2 1.341000 26.013000 12.099000 380 W A 2 "TRP " " CD2" 6 0 1 1 104.61 5913 + 5914 25 0.559000 26.616000 10.115000 380 W A 2 "TRP " " NE1" 7 0 1 1 110.86 5914 + 5915 2 0.893000 25.495000 10.846000 380 W A 2 "TRP " " CE2" 6 0 1 1 108.27 5915 + 5916 2 1.792000 25.071000 13.056000 380 W A 2 "TRP " " CE3" 6 0 1 1 104.42 5916 + 5917 2 0.868000 24.117000 10.565000 380 W A 2 "TRP " " CZ2" 6 0 1 1 108.19 5917 + 5918 2 1.802000 23.690000 12.772000 380 W A 2 "TRP " " CZ3" 6 0 1 1 101.5 5918 + 5919 2 1.335000 23.210000 11.533000 380 W A 2 "TRP " " CH2" 6 0 1 1 101.05 5919 + 5920 43 2.432000 29.904000 11.290000 380 W A 2 "TRP " " H " 1 0 1 1 103.44 5920 + 5921 41 3.197000 29.635000 13.979000 380 W A 2 "TRP " " HA " 1 0 1 1 104.81 5921 + 5922 41 0.898000 29.296000 13.105000 380 W A 2 "TRP " " HB3" 1 0 1 1 103.65 5922 + 5923 41 1.442000 27.978000 14.095000 380 W A 2 "TRP " " HB2" 1 0 1 1 103.65 5923 + 5924 41 0.597000 28.781000 10.476000 380 W A 2 "TRP " " HD1" 1 0 1 1 109.6 5924 + 5925 43 0.208000 26.621000 9.168000 380 W A 2 "TRP " " HE1" 1 0 1 1 110.86 5925 + 5926 41 2.151000 25.416000 14.015000 380 W A 2 "TRP " " HE3" 1 0 1 1 104.42 5926 + 5927 41 0.508000 23.757000 9.614000 380 W A 2 "TRP " " HZ2" 1 0 1 1 108.19 5927 + 5928 41 2.175000 22.994000 13.507000 380 W A 2 "TRP " " HZ3" 1 0 1 1 101.5 5928 + 5929 41 1.344000 22.150000 11.325000 380 W A 2 "TRP " " HH2" 1 0 1 1 101.05 5929 + 5930 25 4.579000 27.415000 12.005000 381 R A 2 "ARG " " N " 7 0 1 1 102.71 5930 + 5931 3 5.529000 26.318000 11.854000 381 R A 2 "ARG " " CA " 6 0 1 1 100.03 5931 + 5932 2 6.920000 26.681000 12.394000 381 R A 2 "ARG " " C " 6 0 1 1 95.82 5932 + 5933 15 7.428000 25.969000 13.256000 381 R A 2 "ARG " " O " 8 0 1 1 92.95 5933 + 5934 3 5.623000 25.879000 10.381000 381 R A 2 "ARG " " CB " 6 0 1 1 102.16 5934 + 5935 3 4.278000 25.774000 9.644000 381 R A 2 "ARG " " CG " 6 0 1 1 108.24 5935 + 5936 3 4.436000 25.361000 8.177000 381 R A 2 "ARG " " CD " 6 0 1 1 109.56 5936 + 5937 25 4.598000 23.909000 8.038000 381 R A 2 "ARG " " NE " 7 0 1 1 114.44 5937 + 5938 2 3.584000 23.064000 7.790000 381 R A 2 "ARG " " CZ " 6 0 1 1 114.21 5938 + 5939 25 2.334000 23.506000 7.607000 381 R A 2 "ARG " " NH1" 7 0 1 1 113.57 5939 + 5940 31 3.813000 21.751000 7.719000 381 R A 2 "ARG " " NH2" 7 1 1 1 117.5 5940 + 5941 43 4.283000 27.859000 11.147000 381 R A 2 "ARG " " H " 1 0 1 1 102.71 5941 + 5942 41 5.146000 25.480000 12.436000 381 R A 2 "ARG " " HA " 1 0 1 1 100.03 5942 + 5943 41 6.154000 24.931000 10.325000 381 R A 2 "ARG " " HB3" 1 0 1 1 102.16 5943 + 5944 41 6.234000 26.598000 9.838000 381 R A 2 "ARG " " HB2" 1 0 1 1 102.16 5944 + 5945 41 3.687000 26.686000 9.700000 381 R A 2 "ARG " " HG3" 1 0 1 1 108.24 5945 + 5946 41 3.699000 25.012000 10.167000 381 R A 2 "ARG " " HG2" 1 0 1 1 108.24 5946 + 5947 41 5.396000 25.745000 7.833000 381 R A 2 "ARG " " HD3" 1 0 1 1 109.56 5947 + 5948 41 3.697000 25.807000 7.512000 381 R A 2 "ARG " " HD2" 1 0 1 1 109.56 5948 + 5949 43 5.511000 23.532000 8.259000 381 R A 2 "ARG " " HE " 1 0 1 1 114.44 5949 + 5950 43 1.589000 22.831000 7.428000 381 R A 2 "ARG " "HH12" 1 0 1 1 113.57 5950 + 5951 43 2.124000 24.491000 7.653000 381 R A 2 "ARG " "HH11" 1 0 1 1 113.57 5951 + 5952 44 3.041000 21.113000 7.564000 381 R A 2 "ARG " "HH22" 1 0 1 1 117.5 5952 + 5953 44 4.732000 21.374000 7.894000 381 R A 2 "ARG " "HH21" 1 0 1 1 117.5 5953 + 5954 25 7.486000 27.802000 11.909000 382 Y A 2 "TYR " " N " 7 0 1 1 90.72 5954 + 5955 3 8.743000 28.379000 12.400000 382 Y A 2 "TYR " " CA " 6 0 1 1 89.45 5955 + 5956 2 8.639000 28.895000 13.843000 382 Y A 2 "TYR " " C " 6 0 1 1 92.46 5956 + 5957 15 9.630000 28.827000 14.568000 382 Y A 2 "TYR " " O " 8 0 1 1 98.96 5957 + 5958 3 9.214000 29.507000 11.463000 382 Y A 2 "TYR " " CB " 6 0 1 1 83.7 5958 + 5959 2 9.960000 29.023000 10.236000 382 Y A 2 "TYR " " CG " 6 0 1 1 85.21 5959 + 5960 2 9.249000 28.610000 9.094000 382 Y A 2 "TYR " " CD1" 6 0 1 1 88.68 5960 + 5961 2 11.370000 28.983000 10.231000 382 Y A 2 "TYR " " CD2" 6 0 1 1 92.89 5961 + 5962 2 9.938000 28.177000 7.947000 382 Y A 2 "TYR " " CE1" 6 0 1 1 95.86 5962 + 5963 2 12.063000 28.537000 9.088000 382 Y A 2 "TYR " " CE2" 6 0 1 1 99.08 5963 + 5964 2 11.345000 28.131000 7.946000 382 Y A 2 "TYR " " CZ " 6 0 1 1 97 5964 + 5965 16 12.007000 27.685000 6.840000 382 Y A 2 "TYR " " OH " 8 0 1 1 103.13 5965 + 5966 43 7.003000 28.332000 11.196000 382 Y A 2 "TYR " " H " 1 0 1 1 90.72 5966 + 5967 41 9.493000 27.586000 12.387000 382 Y A 2 "TYR " " HA " 1 0 1 1 89.45 5967 + 5968 41 9.897000 30.173000 11.991000 382 Y A 2 "TYR " " HB3" 1 0 1 1 83.7 5968 + 5969 41 8.373000 30.135000 11.166000 382 Y A 2 "TYR " " HB2" 1 0 1 1 83.7 5969 + 5970 41 8.174000 28.633000 9.098000 382 Y A 2 "TYR " " HD1" 1 0 1 1 88.68 5970 + 5971 41 11.926000 29.283000 11.107000 382 Y A 2 "TYR " " HD2" 1 0 1 1 92.89 5971 + 5972 41 9.384000 27.867000 7.074000 382 Y A 2 "TYR " " HE1" 1 0 1 1 95.86 5972 + 5973 41 13.142000 28.499000 9.098000 382 Y A 2 "TYR " " HE2" 1 0 1 1 99.08 5973 + 5974 42 12.953000 27.588000 6.982000 382 Y A 2 "TYR " " HH " 1 0 1 1 103.13 5974 + 5975 25 7.444000 29.366000 14.239000 383 R A 2 "ARG " " N " 7 0 1 1 91.02 5975 + 5976 3 7.143000 29.796000 15.601000 383 R A 2 "ARG " " CA " 6 0 1 1 92.32 5976 + 5977 2 7.204000 28.625000 16.588000 383 R A 2 "ARG " " C " 6 0 1 1 91.7 5977 + 5978 15 7.966000 28.696000 17.548000 383 R A 2 "ARG " " O " 8 0 1 1 93.18 5978 + 5979 3 5.792000 30.528000 15.634000 383 R A 2 "ARG " " CB " 6 0 1 1 97.95 5979 + 5980 3 5.646000 31.503000 16.812000 383 R A 2 "ARG " " CG " 6 0 1 1 100.99 5980 + 5981 3 4.209000 32.005000 17.005000 383 R A 2 "ARG " " CD " 6 0 1 1 100.88 5981 + 5982 25 3.616000 32.481000 15.747000 383 R A 2 "ARG " " NE " 7 0 1 1 96.09 5982 + 5983 2 2.422000 32.120000 15.249000 383 R A 2 "ARG " " CZ " 6 0 1 1 96.37 5983 + 5984 25 1.596000 31.306000 15.908000 383 R A 2 "ARG " " NH1" 7 0 1 1 88.9 5984 + 5985 31 2.035000 32.582000 14.060000 383 R A 2 "ARG " " NH2" 7 1 1 1 93.99 5985 + 5986 43 6.681000 29.410000 13.577000 383 R A 2 "ARG " " H " 1 0 1 1 91.02 5986 + 5987 41 7.909000 30.500000 15.909000 383 R A 2 "ARG " " HA " 1 0 1 1 92.32 5987 + 5988 41 4.971000 29.810000 15.627000 383 R A 2 "ARG " " HB3" 1 0 1 1 97.95 5988 + 5989 41 5.690000 31.117000 14.725000 383 R A 2 "ARG " " HB2" 1 0 1 1 97.95 5989 + 5990 41 6.364000 32.321000 16.772000 383 R A 2 "ARG " " HG3" 1 0 1 1 100.99 5990 + 5991 41 5.887000 30.934000 17.711000 383 R A 2 "ARG " " HG2" 1 0 1 1 100.99 5991 + 5992 41 4.248000 32.906000 17.617000 383 R A 2 "ARG " " HD3" 1 0 1 1 100.88 5992 + 5993 41 3.600000 31.293000 17.558000 383 R A 2 "ARG " " HD2" 1 0 1 1 100.88 5993 + 5994 43 4.198000 33.099000 15.192000 383 R A 2 "ARG " " HE " 1 0 1 1 96.09 5994 + 5995 43 0.695000 31.056000 15.530000 383 R A 2 "ARG " "HH12" 1 0 1 1 88.9 5995 + 5996 43 1.788000 31.059000 16.873000 383 R A 2 "ARG " "HH11" 1 0 1 1 88.9 5996 + 5997 44 1.137000 32.328000 13.676000 383 R A 2 "ARG " "HH22" 1 0 1 1 93.99 5997 + 5998 44 2.645000 33.173000 13.513000 383 R A 2 "ARG " "HH21" 1 0 1 1 93.99 5998 + 5999 25 6.469000 27.546000 16.274000 384 D A 2 "ASP " " N " 7 0 1 1 90.75 5999 + 6000 3 6.466000 26.272000 16.991000 384 D A 2 "ASP " " CA " 6 0 1 1 89.03 6000 + 6001 2 7.867000 25.631000 17.059000 384 D A 2 "ASP " " C " 6 0 1 1 87.02 6001 + 6002 15 8.221000 25.100000 18.109000 384 D A 2 "ASP " " O " 8 0 1 1 82.03 6002 + 6003 3 5.450000 25.302000 16.357000 384 D A 2 "ASP " " CB " 6 0 1 1 88.83 6003 + 6004 2 5.268000 24.002000 17.131000 384 D A 2 "ASP " " CG " 6 0 1 1 90.98 6004 + 6005 15 4.599000 24.089000 18.177000 384 D A 2 "ASP " " OD1" 8 0 1 1 89.48 6005 + 6006 18 5.764000 22.953000 16.665000 384 D A 2 "ASP " " OD2" 8 -1 1 1 95.71 6006 + 6007 43 5.877000 27.578000 15.454000 384 D A 2 "ASP " " H " 1 0 1 1 90.75 6007 + 6008 41 6.146000 26.485000 18.013000 384 D A 2 "ASP " " HA " 1 0 1 1 89.03 6008 + 6009 41 5.729000 25.093000 15.330000 384 D A 2 "ASP " " HB3" 1 0 1 1 88.83 6009 + 6010 41 4.463000 25.748000 16.265000 384 D A 2 "ASP " " HB2" 1 0 1 1 88.83 6010 + 6011 25 8.641000 25.728000 15.962000 385 A A 2 "ALA " " N " 7 0 1 1 84.73 6011 + 6012 3 10.022000 25.258000 15.875000 385 A A 2 "ALA " " CA " 6 0 1 1 83.82 6012 + 6013 2 10.961000 25.963000 16.864000 385 A A 2 "ALA " " C " 6 0 1 1 89.62 6013 + 6014 15 11.776000 25.282000 17.478000 385 A A 2 "ALA " " O " 8 0 1 1 90.48 6014 + 6015 3 10.541000 25.403000 14.436000 385 A A 2 "ALA " " CB " 6 0 1 1 74.9 6015 + 6016 43 8.264000 26.159000 15.128000 385 A A 2 "ALA " " H " 1 0 1 1 84.73 6016 + 6017 41 10.013000 24.195000 16.124000 385 A A 2 "ALA " " HA " 1 0 1 1 83.82 6017 + 6018 41 11.540000 24.978000 14.335000 385 A A 2 "ALA " " HB1" 1 0 1 1 74.9 6018 + 6019 41 9.894000 24.887000 13.728000 385 A A 2 "ALA " " HB2" 1 0 1 1 74.9 6019 + 6020 41 10.602000 26.445000 14.130000 385 A A 2 "ALA " " HB3" 1 0 1 1 74.9 6020 + 6021 25 10.818000 27.292000 17.021000 386 A A 2 "ALA " " N " 7 0 1 1 86.98 6021 + 6022 3 11.580000 28.100000 17.977000 386 A A 2 "ALA " " CA " 6 0 1 1 80.59 6022 + 6023 2 11.235000 27.797000 19.442000 386 A A 2 "ALA " " C " 6 0 1 1 80.89 6023 + 6024 15 12.147000 27.743000 20.266000 386 A A 2 "ALA " " O " 8 0 1 1 87.7 6024 + 6025 3 11.369000 29.587000 17.675000 386 A A 2 "ALA " " CB " 6 0 1 1 83.16 6025 + 6026 43 10.126000 27.785000 16.472000 386 A A 2 "ALA " " H " 1 0 1 1 86.98 6026 + 6027 41 12.640000 27.881000 17.836000 386 A A 2 "ALA " " HA " 1 0 1 1 80.59 6027 + 6028 41 11.812000 30.222000 18.442000 386 A A 2 "ALA " " HB1" 1 0 1 1 83.16 6028 + 6029 41 11.830000 29.851000 16.726000 386 A A 2 "ALA " " HB2" 1 0 1 1 83.16 6029 + 6030 41 10.311000 29.840000 17.610000 386 A A 2 "ALA " " HB3" 1 0 1 1 83.16 6030 + 6031 25 9.942000 27.572000 19.734000 387 V A 2 "VAL " " N " 7 0 1 1 77.05 6031 + 6032 3 9.458000 27.188000 21.062000 387 V A 2 "VAL " " CA " 6 0 1 1 76.75 6032 + 6033 2 9.925000 25.763000 21.441000 387 V A 2 "VAL " " C " 6 0 1 1 83.32 6033 + 6034 15 10.366000 25.566000 22.573000 387 V A 2 "VAL " " O " 8 0 1 1 84.13 6034 + 6035 3 7.906000 27.265000 21.166000 387 V A 2 "VAL " " CB " 6 0 1 1 76.75 6035 + 6036 3 7.352000 26.882000 22.551000 387 V A 2 "VAL " " CG1" 6 0 1 1 69.46 6036 + 6037 3 7.383000 28.677000 20.857000 387 V A 2 "VAL " " CG2" 6 0 1 1 71.61 6037 + 6038 43 9.245000 27.644000 19.004000 387 V A 2 "VAL " " H " 1 0 1 1 77.05 6038 + 6039 41 9.883000 27.885000 21.788000 387 V A 2 "VAL " " HA " 1 0 1 1 76.75 6039 + 6040 41 7.479000 26.585000 20.428000 387 V A 2 "VAL " " HB " 1 0 1 1 76.75 6040 + 6041 41 6.265000 26.934000 22.538000 387 V A 2 "VAL " "HG11" 1 0 1 1 69.46 6041 + 6042 41 7.619000 25.878000 22.868000 387 V A 2 "VAL " "HG12" 1 0 1 1 69.46 6042 + 6043 41 7.707000 27.565000 23.324000 387 V A 2 "VAL " "HG13" 1 0 1 1 69.46 6043 + 6044 41 6.294000 28.696000 20.801000 387 V A 2 "VAL " "HG21" 1 0 1 1 71.61 6044 + 6045 41 7.686000 29.370000 21.641000 387 V A 2 "VAL " "HG22" 1 0 1 1 71.61 6045 + 6046 41 7.764000 29.076000 19.924000 387 V A 2 "VAL " "HG23" 1 0 1 1 71.61 6046 + 6047 25 9.874000 24.825000 20.476000 388 M A 2 "MET " " N " 7 0 1 1 87.18 6047 + 6048 3 10.373000 23.453000 20.592000 388 M A 2 "MET " " CA " 6 0 1 1 84.33 6048 + 6049 2 11.894000 23.404000 20.804000 388 M A 2 "MET " " C " 6 0 1 1 87.2 6049 + 6050 15 12.342000 22.713000 21.716000 388 M A 2 "MET " " O " 8 0 1 1 92.94 6050 + 6051 3 9.949000 22.634000 19.349000 388 M A 2 "MET " " CB " 6 0 1 1 75.31 6051 + 6052 3 10.350000 21.146000 19.360000 388 M A 2 "MET " " CG " 6 0 1 1 78.11 6052 + 6053 49 9.538000 20.131000 20.625000 388 M A 2 "MET " " SD " 16 0 1 1 81.8 6053 + 6054 3 7.916000 19.887000 19.852000 388 M A 2 "MET " " CE " 6 0 1 1 84.23 6054 + 6055 43 9.477000 25.069000 19.577000 388 M A 2 "MET " " H " 1 0 1 1 87.18 6055 + 6056 41 9.896000 23.012000 21.470000 388 M A 2 "MET " " HA " 1 0 1 1 84.33 6056 + 6057 41 10.364000 23.094000 18.451000 388 M A 2 "MET " " HB3" 1 0 1 1 75.31 6057 + 6058 41 8.869000 22.698000 19.225000 388 M A 2 "MET " " HB2" 1 0 1 1 75.31 6058 + 6059 41 11.427000 21.036000 19.482000 388 M A 2 "MET " " HG3" 1 0 1 1 78.11 6059 + 6060 41 10.123000 20.710000 18.388000 388 M A 2 "MET " " HG2" 1 0 1 1 78.11 6060 + 6061 41 7.276000 19.294000 20.505000 388 M A 2 "MET " " HE1" 1 0 1 1 84.23 6061 + 6062 41 7.426000 20.842000 19.668000 388 M A 2 "MET " " HE2" 1 0 1 1 84.23 6062 + 6063 41 8.021000 19.362000 18.902000 388 M A 2 "MET " " HE3" 1 0 1 1 84.23 6063 + 6064 25 12.646000 24.153000 19.977000 389 A A 2 "ALA " " N " 7 0 1 1 84.78 6064 + 6065 3 14.104000 24.278000 20.028000 389 A A 2 "ALA " " CA " 6 0 1 1 81.88 6065 + 6066 2 14.621000 24.824000 21.367000 389 A A 2 "ALA " " C " 6 0 1 1 83.37 6066 + 6067 15 15.629000 24.316000 21.859000 389 A A 2 "ALA " " O " 8 0 1 1 89.17 6067 + 6068 3 14.587000 25.149000 18.858000 389 A A 2 "ALA " " CB " 6 0 1 1 78.73 6068 + 6069 43 12.190000 24.678000 19.241000 389 A A 2 "ALA " " H " 1 0 1 1 84.78 6069 + 6070 41 14.520000 23.277000 19.897000 389 A A 2 "ALA " " HA " 1 0 1 1 81.88 6070 + 6071 41 15.664000 25.302000 18.891000 389 A A 2 "ALA " " HB1" 1 0 1 1 78.73 6071 + 6072 41 14.362000 24.677000 17.901000 389 A A 2 "ALA " " HB2" 1 0 1 1 78.73 6072 + 6073 41 14.115000 26.131000 18.863000 389 A A 2 "ALA " " HB3" 1 0 1 1 78.73 6073 + 6074 25 13.893000 25.794000 21.956000 390 F A 2 "PHE " " N " 7 0 1 1 82.61 6074 + 6075 3 14.142000 26.310000 23.304000 390 F A 2 "PHE " " CA " 6 0 1 1 86.33 6075 + 6076 2 13.938000 25.230000 24.373000 390 F A 2 "PHE " " C " 6 0 1 1 88.77 6076 + 6077 15 14.829000 25.044000 25.197000 390 F A 2 "PHE " " O " 8 0 1 1 98.06 6077 + 6078 3 13.293000 27.572000 23.576000 390 F A 2 "PHE " " CB " 6 0 1 1 89.57 6078 + 6079 2 13.578000 28.260000 24.906000 390 F A 2 "PHE " " CG " 6 0 1 1 96.28 6079 + 6080 2 14.623000 29.204000 25.010000 390 F A 2 "PHE " " CD1" 6 0 1 1 98.1 6080 + 6081 2 12.944000 27.825000 26.089000 390 F A 2 "PHE " " CD2" 6 0 1 1 94.43 6081 + 6082 2 14.978000 29.725000 26.246000 390 F A 2 "PHE " " CE1" 6 0 1 1 95.22 6082 + 6083 2 13.323000 28.343000 27.319000 390 F A 2 "PHE " " CE2" 6 0 1 1 91.36 6083 + 6084 2 14.335000 29.289000 27.395000 390 F A 2 "PHE " " CZ " 6 0 1 1 96.72 6084 + 6085 43 13.083000 26.166000 21.478000 390 F A 2 "PHE " " H " 1 0 1 1 82.61 6085 + 6086 41 15.188000 26.605000 23.366000 390 F A 2 "PHE " " HA " 1 0 1 1 86.33 6086 + 6087 41 12.231000 27.328000 23.525000 390 F A 2 "PHE " " HB3" 1 0 1 1 89.57 6087 + 6088 41 13.465000 28.294000 22.779000 390 F A 2 "PHE " " HB2" 1 0 1 1 89.57 6088 + 6089 41 15.167000 29.522000 24.138000 390 F A 2 "PHE " " HD1" 1 0 1 1 98.1 6089 + 6090 41 12.185000 27.064000 26.044000 390 F A 2 "PHE " " HD2" 1 0 1 1 94.43 6090 + 6091 41 15.776000 30.449000 26.318000 390 F A 2 "PHE " " HE1" 1 0 1 1 95.22 6091 + 6092 41 12.850000 27.991000 28.222000 390 F A 2 "PHE " " HE2" 1 0 1 1 91.36 6092 + 6093 41 14.649000 29.667000 28.354000 390 F A 2 "PHE " " HZ " 1 0 1 1 96.72 6093 + 6094 25 12.796000 24.522000 24.312000 391 G A 2 "GLY " " N " 7 0 1 1 84.06 6094 + 6095 3 12.429000 23.466000 25.254000 391 G A 2 "GLY " " CA " 6 0 1 1 77.48 6095 + 6096 2 13.389000 22.266000 25.216000 391 G A 2 "GLY " " C " 6 0 1 1 84.01 6096 + 6097 15 13.596000 21.636000 26.252000 391 G A 2 "GLY " " O " 8 0 1 1 80.78 6097 + 6098 43 12.128000 24.731000 23.582000 391 G A 2 "GLY " " H " 1 0 1 1 84.06 6098 + 6099 41 11.421000 23.124000 25.025000 391 G A 2 "GLY " " HA3" 1 0 1 1 77.48 6099 + 6100 41 12.397000 23.880000 26.259000 391 G A 2 "GLY " " HA2" 1 0 1 1 77.48 6100 + 6101 25 13.994000 21.971000 24.051000 392 C A 2 "CYS " " N " 7 0 1 1 84.9 6101 + 6102 3 14.941000 20.872000 23.849000 392 C A 2 "CYS " " CA " 6 0 1 1 89.73 6102 + 6103 2 16.262000 21.066000 24.616000 392 C A 2 "CYS " " C " 6 0 1 1 86.81 6103 + 6104 15 16.742000 20.107000 25.221000 392 C A 2 "CYS " " O " 8 0 1 1 89.9 6104 + 6105 3 15.258000 20.629000 22.359000 392 C A 2 "CYS " " CB " 6 0 1 1 93.08 6105 + 6106 49 13.838000 19.902000 21.495000 392 C A 2 "CYS " " SG " 16 0 1 1 98.89 6106 + 6107 43 13.769000 22.519000 23.231000 392 C A 2 "CYS " " H " 1 0 1 1 84.9 6107 + 6108 41 14.468000 19.975000 24.251000 392 C A 2 "CYS " " HA " 1 0 1 1 89.73 6108 + 6109 41 16.090000 19.933000 22.255000 392 C A 2 "CYS " " HB3" 1 0 1 1 93.08 6109 + 6110 41 15.550000 21.553000 21.858000 392 C A 2 "CYS " " HB2" 1 0 1 1 93.08 6110 + 6111 41 13.060000 20.989000 21.573000 392 C A 2 "CYS " " HG " 1 0 1 1 98.89 6111 + 6112 25 16.814000 22.292000 24.580000 393 I A 2 "ILE " " N " 7 0 0 1 77.47 6112 + 6113 3 18.114000 22.629000 25.170000 393 I A 2 "ILE " " CA " 6 0 0 1 79.61 6113 + 6114 2 18.088000 22.903000 26.690000 393 I A 2 "ILE " " C " 6 0 0 1 84.26 6114 + 6115 15 19.152000 23.141000 27.259000 393 I A 2 "ILE " " O " 8 0 0 1 86.17 6115 + 6116 3 18.781000 23.833000 24.445000 393 I A 2 "ILE " " CB " 6 0 0 1 78.73 6116 + 6117 3 18.001000 25.166000 24.553000 393 I A 2 "ILE " " CG1" 6 0 0 1 71.67 6117 + 6118 3 19.080000 23.476000 22.981000 393 I A 2 "ILE " " CG2" 6 0 0 1 78.71 6118 + 6119 3 18.784000 26.393000 24.063000 393 I A 2 "ILE " " CD1" 6 0 0 1 73.85 6119 + 6120 43 16.348000 23.035000 24.078000 393 I A 2 "ILE " " H " 1 0 0 1 77.47 6120 + 6121 41 18.770000 21.770000 25.039000 393 I A 2 "ILE " " HA " 1 0 0 1 79.61 6121 + 6122 41 19.754000 23.997000 24.913000 393 I A 2 "ILE " " HB " 1 0 0 1 78.73 6122 + 6123 41 17.686000 25.355000 25.579000 393 I A 2 "ILE " "HG13" 1 0 0 1 71.67 6123 + 6124 41 17.088000 25.089000 23.967000 393 I A 2 "ILE " "HG12" 1 0 0 1 71.67 6124 + 6125 41 19.709000 24.233000 22.516000 393 I A 2 "ILE " "HG21" 1 0 0 1 78.71 6125 + 6126 41 19.606000 22.524000 22.910000 393 I A 2 "ILE " "HG22" 1 0 0 1 78.71 6126 + 6127 41 18.167000 23.387000 22.394000 393 I A 2 "ILE " "HG23" 1 0 0 1 78.71 6127 + 6128 41 18.336000 27.313000 24.438000 393 I A 2 "ILE " "HD11" 1 0 0 1 73.85 6128 + 6129 41 19.818000 26.366000 24.403000 393 I A 2 "ILE " "HD12" 1 0 0 1 73.85 6129 + 6130 41 18.786000 26.451000 22.974000 393 I A 2 "ILE " "HD13" 1 0 0 1 73.85 6130 + 6131 25 16.906000 22.846000 27.331000 394 L A 2 "LEU " " N " 7 0 0 1 88.99 6131 + 6132 3 16.739000 23.056000 28.776000 394 L A 2 "LEU " " CA " 6 0 0 1 93.12 6132 + 6133 2 17.351000 21.962000 29.669000 394 L A 2 "LEU " " C " 6 0 0 1 94.39 6133 + 6134 15 17.488000 22.210000 30.866000 394 L A 2 "LEU " " O " 8 0 0 1 97.38 6134 + 6135 3 15.243000 23.197000 29.123000 394 L A 2 "LEU " " CB " 6 0 0 1 96.34 6135 + 6136 3 14.575000 24.476000 28.597000 394 L A 2 "LEU " " CG " 6 0 0 1 97.63 6136 + 6137 3 13.071000 24.415000 28.876000 394 L A 2 "LEU " " CD1" 6 0 0 1 103.93 6137 + 6138 3 15.204000 25.771000 29.151000 394 L A 2 "LEU " " CD2" 6 0 0 1 95.8 6138 + 6139 43 16.066000 22.649000 26.806000 394 L A 2 "LEU " " H " 1 0 0 1 88.99 6139 + 6140 41 17.256000 23.981000 29.032000 394 L A 2 "LEU " " HA " 1 0 0 1 93.12 6140 + 6141 41 15.109000 23.184000 30.206000 394 L A 2 "LEU " " HB3" 1 0 0 1 96.34 6141 + 6142 41 14.710000 22.320000 28.751000 394 L A 2 "LEU " " HB2" 1 0 0 1 96.34 6142 + 6143 41 14.691000 24.480000 27.520000 394 L A 2 "LEU " " HG " 1 0 0 1 97.63 6143 + 6144 41 12.541000 25.222000 28.370000 394 L A 2 "LEU " "HD11" 1 0 0 1 103.93 6144 + 6145 41 12.639000 23.473000 28.537000 394 L A 2 "LEU " "HD12" 1 0 0 1 103.93 6145 + 6146 41 12.883000 24.481000 29.947000 394 L A 2 "LEU " "HD13" 1 0 0 1 103.93 6146 + 6147 41 14.449000 26.459000 29.527000 394 L A 2 "LEU " "HD21" 1 0 0 1 95.8 6147 + 6148 41 15.894000 25.578000 29.973000 394 L A 2 "LEU " "HD22" 1 0 0 1 95.8 6148 + 6149 41 15.759000 26.295000 28.372000 394 L A 2 "LEU " "HD23" 1 0 0 1 95.8 6149 + 6150 25 17.692000 20.792000 29.102000 395 E A 2 "GLU " " N " 7 0 0 1 102.35 6150 + 6151 3 18.324000 19.696000 29.830000 395 E A 2 "GLU " " CA " 6 0 0 1 108.81 6151 + 6152 2 19.705000 19.415000 29.237000 395 E A 2 "GLU " " C " 6 0 0 1 106.11 6152 + 6153 15 19.826000 19.229000 28.026000 395 E A 2 "GLU " " O " 8 0 0 1 110.05 6153 + 6154 3 17.420000 18.454000 29.785000 395 E A 2 "GLU " " CB " 6 0 0 1 113.51 6154 + 6155 3 17.946000 17.299000 30.660000 395 E A 2 "GLU " " CG " 6 0 0 1 130.45 6155 + 6156 2 16.958000 16.141000 30.773000 395 E A 2 "GLU " " CD " 6 0 0 1 142.09 6156 + 6157 15 16.233000 15.893000 29.783000 395 E A 2 "GLU " " OE1" 8 0 0 1 145.13 6157 + 6158 18 16.940000 15.528000 31.862000 395 E A 2 "GLU " " OE2" 8 -1 0 1 152.2 6158 + 6159 43 17.578000 20.661000 28.107000 395 E A 2 "GLU " " H " 1 0 0 1 102.35 6159 + 6160 41 18.452000 19.965000 30.881000 395 E A 2 "GLU " " HA " 1 0 0 1 108.81 6160 + 6161 41 17.320000 18.114000 28.753000 395 E A 2 "GLU " " HB3" 1 0 0 1 113.51 6161 + 6162 41 16.416000 18.722000 30.110000 395 E A 2 "GLU " " HB2" 1 0 0 1 113.51 6162 + 6163 41 18.160000 17.669000 31.664000 395 E A 2 "GLU " " HG3" 1 0 0 1 130.45 6163 + 6164 41 18.882000 16.905000 30.266000 395 E A 2 "GLU " " HG2" 1 0 0 1 130.45 6164 + 6165 25 20.705000 19.370000 30.127000 396 G A 2 "GLY " " N " 7 0 0 1 100.62 6165 + 6166 3 22.098000 19.106000 29.802000 396 G A 2 "GLY " " CA " 6 0 0 1 94.44 6166 + 6167 2 22.927000 20.329000 30.203000 396 G A 2 "GLY " " C " 6 0 0 1 97.4 6167 + 6168 15 23.657000 20.214000 31.188000 396 G A 2 "GLY " " O " 8 0 0 1 100.36 6168 + 6169 43 20.500000 19.540000 31.101000 396 G A 2 "GLY " " H " 1 0 0 1 100.62 6169 + 6170 41 22.250000 18.878000 28.749000 396 G A 2 "GLY " " HA3" 1 0 0 1 94.44 6170 + 6171 41 22.430000 18.230000 30.360000 396 G A 2 "GLY " " HA2" 1 0 0 1 94.44 6171 + 6172 25 22.808000 21.493000 29.512000 397 P A 2 "PRO " " N " 7 0 0 1 92.14 6172 + 6173 3 23.520000 22.740000 29.858000 397 P A 2 "PRO " " CA " 6 0 0 1 93.6 6173 + 6174 2 23.346000 23.170000 31.316000 397 P A 2 "PRO " " C " 6 0 0 1 97.21 6174 + 6175 15 22.267000 22.989000 31.882000 397 P A 2 "PRO " " O " 8 0 0 1 95.28 6175 + 6176 3 22.939000 23.783000 28.894000 397 P A 2 "PRO " " CB " 6 0 0 1 88.48 6176 + 6177 3 22.537000 22.965000 27.688000 397 P A 2 "PRO " " CG " 6 0 0 1 92.9 6177 + 6178 3 21.994000 21.696000 28.316000 397 P A 2 "PRO " " CD " 6 0 0 1 88.91 6178 + 6179 41 24.577000 22.583000 29.635000 397 P A 2 "PRO " " HA " 1 0 0 1 93.6 6179 + 6180 41 23.654000 24.564000 28.639000 397 P A 2 "PRO " " HB3" 1 0 0 1 88.48 6180 + 6181 41 22.056000 24.264000 29.317000 397 P A 2 "PRO " " HB2" 1 0 0 1 88.48 6181 + 6182 41 23.434000 22.728000 27.118000 397 P A 2 "PRO " " HG3" 1 0 0 1 92.9 6182 + 6183 41 21.825000 23.461000 27.030000 397 P A 2 "PRO " " HG2" 1 0 0 1 92.9 6183 + 6184 41 20.961000 21.850000 28.627000 397 P A 2 "PRO " " HD2" 1 0 0 1 88.91 6184 + 6185 41 22.028000 20.866000 27.612000 397 P A 2 "PRO " " HD3" 1 0 0 1 88.91 6185 + 6186 25 24.442000 23.686000 31.889000 398 E A 2 "GLU " " N " 7 0 0 1 103.4 6186 + 6187 3 24.579000 24.090000 33.288000 398 E A 2 "GLU " " CA " 6 0 0 1 111.92 6187 + 6188 2 23.440000 25.062000 33.688000 398 E A 2 "GLU " " C " 6 0 0 1 112.15 6188 + 6189 15 23.139000 25.960000 32.904000 398 E A 2 "GLU " " O " 8 0 0 1 115.53 6189 + 6190 3 25.985000 24.719000 33.403000 398 E A 2 "GLU " " CB " 6 0 0 1 120.45 6190 + 6191 3 26.532000 24.767000 34.840000 398 E A 2 "GLU " " CG " 6 0 0 1 130.06 6191 + 6192 2 27.981000 25.260000 34.904000 398 E A 2 "GLU " " CD " 6 0 0 1 138.1 6192 + 6193 15 28.804000 24.748000 34.114000 398 E A 2 "GLU " " OE1" 8 0 0 1 134.56 6193 + 6194 18 28.244000 26.131000 35.762000 398 E A 2 "GLU " " OE2" 8 -1 0 1 146.88 6194 + 6195 43 25.276000 23.791000 31.329000 398 E A 2 "GLU " " H " 1 0 0 1 103.4 6195 + 6196 41 24.544000 23.167000 33.865000 398 E A 2 "GLU " " HA " 1 0 0 1 111.92 6196 + 6197 41 25.978000 25.728000 32.987000 398 E A 2 "GLU " " HB3" 1 0 0 1 120.45 6197 + 6198 41 26.681000 24.151000 32.782000 398 E A 2 "GLU " " HB2" 1 0 0 1 120.45 6198 + 6199 41 26.507000 23.769000 35.279000 398 E A 2 "GLU " " HG3" 1 0 0 1 130.06 6199 + 6200 41 25.901000 25.401000 35.463000 398 E A 2 "GLU " " HG2" 1 0 0 1 130.06 6200 + 6201 25 22.753000 24.830000 34.832000 399 P A 2 "PRO " " N " 7 0 0 1 107.09 6201 + 6202 3 21.527000 25.581000 35.184000 399 P A 2 "PRO " " CA " 6 0 0 1 104.64 6202 + 6203 2 21.727000 27.101000 35.333000 399 P A 2 "PRO " " C " 6 0 0 1 108.96 6203 + 6204 15 20.812000 27.860000 35.020000 399 P A 2 "PRO " " O " 8 0 0 1 110.12 6204 + 6205 3 21.056000 24.926000 36.493000 399 P A 2 "PRO " " CB " 6 0 0 1 105.1 6205 + 6206 3 22.317000 24.327000 37.097000 399 P A 2 "PRO " " CG " 6 0 0 1 110.25 6206 + 6207 3 23.095000 23.862000 35.872000 399 P A 2 "PRO " " CD " 6 0 0 1 106.44 6207 + 6208 41 20.774000 25.422000 34.409000 399 P A 2 "PRO " " HA " 1 0 0 1 104.64 6208 + 6209 41 20.349000 24.128000 36.259000 399 P A 2 "PRO " " HB3" 1 0 0 1 105.1 6209 + 6210 41 20.554000 25.613000 37.175000 399 P A 2 "PRO " " HB2" 1 0 0 1 105.1 6210 + 6211 41 22.120000 23.528000 37.812000 399 P A 2 "PRO " " HG3" 1 0 0 1 110.25 6211 + 6212 41 22.881000 25.107000 37.613000 399 P A 2 "PRO " " HG2" 1 0 0 1 110.25 6212 + 6213 41 24.162000 23.812000 36.086000 399 P A 2 "PRO " " HD2" 1 0 0 1 106.44 6213 + 6214 41 22.760000 22.873000 35.555000 399 P A 2 "PRO " " HD3" 1 0 0 1 106.44 6214 + 6215 25 22.944000 27.501000 35.735000 400 S A 2 "SER " " N " 7 0 0 1 109.44 6215 + 6216 3 23.449000 28.872000 35.776000 400 S A 2 "SER " " CA " 6 0 0 1 109.61 6216 + 6217 2 23.474000 29.582000 34.405000 400 S A 2 "SER " " C " 6 0 0 1 109.11 6217 + 6218 15 23.227000 30.786000 34.362000 400 S A 2 "SER " " O " 8 0 0 1 112.05 6218 + 6219 3 24.844000 28.829000 36.436000 400 S A 2 "SER " " CB " 6 0 0 1 110.12 6219 + 6220 16 25.769000 28.117000 35.633000 400 S A 2 "SER " " OG " 8 0 0 1 101.8 6220 + 6221 43 23.637000 26.796000 35.944000 400 S A 2 "SER " " H " 1 0 0 1 109.44 6221 + 6222 41 22.783000 29.440000 36.427000 400 S A 2 "SER " " HA " 1 0 0 1 109.61 6222 + 6223 41 24.791000 28.361000 37.420000 400 S A 2 "SER " " HB3" 1 0 0 1 110.12 6223 + 6224 41 25.223000 29.840000 36.588000 400 S A 2 "SER " " HB2" 1 0 0 1 110.12 6224 + 6225 42 26.593000 27.996000 36.115000 400 S A 2 "SER " " HG " 1 0 0 1 101.8 6225 + 6226 25 23.741000 28.829000 33.322000 401 Q A 2 "GLN " " N " 7 0 0 1 108.48 6226 + 6227 3 23.714000 29.297000 31.934000 401 Q A 2 "GLN " " CA " 6 0 0 1 111.49 6227 + 6228 2 22.275000 29.490000 31.418000 401 Q A 2 "GLN " " C " 6 0 0 1 108.32 6228 + 6229 15 22.037000 30.446000 30.682000 401 Q A 2 "GLN " " O " 8 0 0 1 101.23 6229 + 6230 3 24.523000 28.309000 31.056000 401 Q A 2 "GLN " " CB " 6 0 0 1 116.29 6230 + 6231 3 24.602000 28.631000 29.546000 401 Q A 2 "GLN " " CG " 6 0 0 1 118.19 6231 + 6232 2 25.322000 27.540000 28.740000 401 Q A 2 "GLN " " CD " 6 0 0 1 118.95 6232 + 6233 15 25.469000 26.405000 29.188000 401 Q A 2 "GLN " " OE1" 8 0 0 1 119.31 6233 + 6234 25 25.753000 27.874000 27.522000 401 Q A 2 "GLN " " NE2" 7 0 0 1 116.66 6234 + 6235 43 23.935000 27.844000 33.446000 401 Q A 2 "GLN " " H " 1 0 0 1 108.48 6235 + 6236 41 24.213000 30.267000 31.894000 401 Q A 2 "GLN " " HA " 1 0 0 1 111.49 6236 + 6237 41 24.093000 27.317000 31.157000 401 Q A 2 "GLN " " HB3" 1 0 0 1 116.29 6237 + 6238 41 25.538000 28.237000 31.451000 401 Q A 2 "GLN " " HB2" 1 0 0 1 116.29 6238 + 6239 41 25.107000 29.586000 29.399000 401 Q A 2 "GLN " " HG3" 1 0 0 1 118.19 6239 + 6240 41 23.604000 28.731000 29.118000 401 Q A 2 "GLN " " HG2" 1 0 0 1 118.19 6240 + 6241 43 26.233000 27.189000 26.955000 401 Q A 2 "GLN " "HE22" 1 0 0 1 116.66 6241 + 6242 43 25.621000 28.810000 27.168000 401 Q A 2 "GLN " "HE21" 1 0 0 1 116.66 6242 + 6243 25 21.353000 28.590000 31.809000 402 L A 2 "LEU " " N " 7 0 0 1 110.46 6243 + 6244 3 19.971000 28.561000 31.322000 402 L A 2 "LEU " " CA " 6 0 0 1 116.81 6244 + 6245 2 19.046000 29.575000 32.010000 402 L A 2 "LEU " " C " 6 0 0 1 122.56 6245 + 6246 15 18.239000 30.183000 31.315000 402 L A 2 "LEU " " O " 8 0 0 1 125.28 6246 + 6247 3 19.383000 27.142000 31.476000 402 L A 2 "LEU " " CB " 6 0 0 1 114.53 6247 + 6248 3 20.068000 26.059000 30.618000 402 L A 2 "LEU " " CG " 6 0 0 1 109.79 6248 + 6249 3 19.518000 24.676000 30.997000 402 L A 2 "LEU " " CD1" 6 0 0 1 98.43 6249 + 6250 3 19.934000 26.328000 29.103000 402 L A 2 "LEU " " CD2" 6 0 0 1 103.49 6250 + 6251 43 21.629000 27.835000 32.421000 402 L A 2 "LEU " " H " 1 0 0 1 110.46 6251 + 6252 41 19.982000 28.819000 30.262000 402 L A 2 "LEU " " HA " 1 0 0 1 116.81 6252 + 6253 41 18.320000 27.158000 31.228000 402 L A 2 "LEU " " HB3" 1 0 0 1 114.53 6253 + 6254 41 19.437000 26.850000 32.527000 402 L A 2 "LEU " " HB2" 1 0 0 1 114.53 6254 + 6255 41 21.133000 26.047000 30.855000 402 L A 2 "LEU " " HG " 1 0 0 1 109.79 6255 + 6256 41 19.700000 23.932000 30.221000 402 L A 2 "LEU " "HD11" 1 0 0 1 98.43 6256 + 6257 41 19.989000 24.311000 31.909000 402 L A 2 "LEU " "HD12" 1 0 0 1 98.43 6257 + 6258 41 18.444000 24.712000 31.181000 402 L A 2 "LEU " "HD13" 1 0 0 1 98.43 6258 + 6259 41 19.591000 25.453000 28.553000 402 L A 2 "LEU " "HD21" 1 0 0 1 103.49 6259 + 6260 41 19.226000 27.128000 28.886000 402 L A 2 "LEU " "HD22" 1 0 0 1 103.49 6260 + 6261 41 20.895000 26.618000 28.677000 402 L A 2 "LEU " "HD23" 1 0 0 1 103.49 6261 + 6262 25 19.159000 29.738000 33.341000 403 K A 2 "LYS " " N " 7 0 1 1 123.98 6262 + 6263 3 18.315000 30.624000 34.156000 403 K A 2 "LYS " " CA " 6 0 1 1 123.87 6263 + 6264 2 18.148000 32.091000 33.700000 403 K A 2 "LYS " " C " 6 0 1 1 124.88 6264 + 6265 15 17.004000 32.548000 33.722000 403 K A 2 "LYS " " O " 8 0 1 1 129.69 6265 + 6266 3 18.710000 30.534000 35.644000 403 K A 2 "LYS " " CB " 6 0 1 1 120.35 6266 + 6267 3 18.124000 29.285000 36.316000 403 K A 2 "LYS " " CG " 6 0 1 1 123.94 6267 + 6268 3 18.598000 29.071000 37.757000 403 K A 2 "LYS " " CD " 6 0 1 1 125.42 6268 + 6269 3 18.000000 27.793000 38.361000 403 K A 2 "LYS " " CE " 6 0 1 1 126.8 6269 + 6270 32 18.512000 27.547000 39.718000 403 K A 2 "LYS " " NZ " 7 1 1 1 121.67 6270 + 6271 43 19.848000 29.195000 33.847000 403 K A 2 "LYS " " H " 1 0 1 1 123.98 6271 + 6272 41 17.317000 30.188000 34.069000 403 K A 2 "LYS " " HA " 1 0 1 1 123.87 6272 + 6273 41 18.333000 31.400000 36.190000 403 K A 2 "LYS " " HB3" 1 0 1 1 120.35 6273 + 6274 41 19.796000 30.563000 35.746000 403 K A 2 "LYS " " HB2" 1 0 1 1 120.35 6274 + 6275 41 18.387000 28.412000 35.724000 403 K A 2 "LYS " " HG3" 1 0 1 1 123.94 6275 + 6276 41 17.035000 29.348000 36.303000 403 K A 2 "LYS " " HG2" 1 0 1 1 123.94 6276 + 6277 41 18.325000 29.934000 38.365000 403 K A 2 "LYS " " HD3" 1 0 1 1 125.42 6277 + 6278 41 19.688000 29.011000 37.772000 403 K A 2 "LYS " " HD2" 1 0 1 1 125.42 6278 + 6279 41 18.251000 26.932000 37.740000 403 K A 2 "LYS " " HE3" 1 0 1 1 126.8 6279 + 6280 41 16.912000 27.859000 38.396000 403 K A 2 "LYS " " HE2" 1 0 1 1 126.8 6280 + 6281 44 19.518000 27.457000 39.689000 403 K A 2 "LYS " " HZ1" 1 0 1 1 121.67 6281 + 6282 44 18.262000 28.320000 40.318000 403 K A 2 "LYS " " HZ2" 1 0 1 1 121.67 6282 + 6283 44 18.110000 26.696000 40.084000 403 K A 2 "LYS " " HZ3" 1 0 1 1 121.67 6283 + 6284 25 19.209000 32.792000 33.227000 404 P A 2 "PRO " " N " 7 0 1 1 122.58 6284 + 6285 3 19.032000 34.129000 32.627000 404 P A 2 "PRO " " CA " 6 0 1 1 120.63 6285 + 6286 2 18.204000 34.121000 31.329000 404 P A 2 "PRO " " C " 6 0 1 1 117.37 6286 + 6287 15 17.311000 34.956000 31.198000 404 P A 2 "PRO " " O " 8 0 1 1 119.72 6287 + 6288 3 20.466000 34.647000 32.415000 404 P A 2 "PRO " " CB " 6 0 1 1 118.64 6288 + 6289 3 21.330000 33.399000 32.373000 404 P A 2 "PRO " " CG " 6 0 1 1 121.25 6289 + 6290 3 20.633000 32.470000 33.355000 404 P A 2 "PRO " " CD " 6 0 1 1 122.29 6290 + 6291 41 18.525000 34.781000 33.341000 404 P A 2 "PRO " " HA " 1 0 1 1 120.63 6291 + 6292 41 20.754000 35.259000 33.271000 404 P A 2 "PRO " " HB3" 1 0 1 1 118.64 6292 + 6293 41 20.586000 35.264000 31.523000 404 P A 2 "PRO " " HB2" 1 0 1 1 118.64 6293 + 6294 41 22.376000 33.583000 32.622000 404 P A 2 "PRO " " HG3" 1 0 1 1 121.25 6294 + 6295 41 21.295000 32.967000 31.372000 404 P A 2 "PRO " " HG2" 1 0 1 1 121.25 6295 + 6296 41 20.907000 31.444000 33.139000 404 P A 2 "PRO " " HD2" 1 0 1 1 122.29 6296 + 6297 41 20.945000 32.688000 34.377000 404 P A 2 "PRO " " HD3" 1 0 1 1 122.29 6297 + 6298 25 18.484000 33.155000 30.435000 405 L A 2 "LEU " " N " 7 0 1 1 116.69 6298 + 6299 3 17.803000 32.942000 29.152000 405 L A 2 "LEU " " CA " 6 0 1 1 117.16 6299 + 6300 2 16.319000 32.568000 29.304000 405 L A 2 "LEU " " C " 6 0 1 1 112.85 6300 + 6301 15 15.513000 32.990000 28.479000 405 L A 2 "LEU " " O " 8 0 1 1 109.56 6301 + 6302 3 18.536000 31.852000 28.341000 405 L A 2 "LEU " " CB " 6 0 1 1 120.25 6302 + 6303 3 20.027000 32.145000 28.076000 405 L A 2 "LEU " " CG " 6 0 1 1 122.32 6303 + 6304 3 20.730000 30.892000 27.525000 405 L A 2 "LEU " " CD1" 6 0 1 1 125.84 6304 + 6305 3 20.214000 33.378000 27.166000 405 L A 2 "LEU " " CD2" 6 0 1 1 117.32 6305 + 6306 43 19.219000 32.496000 30.648000 405 L A 2 "LEU " " H " 1 0 1 1 116.69 6306 + 6307 41 17.855000 33.875000 28.593000 405 L A 2 "LEU " " HA " 1 0 1 1 117.16 6307 + 6308 41 18.027000 31.697000 27.388000 405 L A 2 "LEU " " HB3" 1 0 1 1 120.25 6308 + 6309 41 18.459000 30.900000 28.867000 405 L A 2 "LEU " " HB2" 1 0 1 1 120.25 6309 + 6310 41 20.523000 32.366000 29.021000 405 L A 2 "LEU " " HG " 1 0 1 1 122.32 6310 + 6311 41 21.607000 31.135000 26.926000 405 L A 2 "LEU " "HD11" 1 0 1 1 125.84 6311 + 6312 41 21.075000 30.251000 28.334000 405 L A 2 "LEU " "HD12" 1 0 1 1 125.84 6312 + 6313 41 20.058000 30.288000 26.914000 405 L A 2 "LEU " "HD13" 1 0 1 1 125.84 6313 + 6314 41 21.025000 33.248000 26.452000 405 L A 2 "LEU " "HD21" 1 0 1 1 117.32 6314 + 6315 41 19.313000 33.610000 26.597000 405 L A 2 "LEU " "HD22" 1 0 1 1 117.32 6315 + 6316 41 20.457000 34.258000 27.762000 405 L A 2 "LEU " "HD23" 1 0 1 1 117.32 6316 + 6317 25 15.991000 31.811000 30.364000 406 V A 2 "VAL " " N " 7 0 1 1 109.19 6317 + 6318 3 14.631000 31.469000 30.772000 406 V A 2 "VAL " " CA " 6 0 1 1 110.75 6318 + 6319 2 13.828000 32.716000 31.171000 406 V A 2 "VAL " " C " 6 0 1 1 117.91 6319 + 6320 15 12.774000 32.948000 30.586000 406 V A 2 "VAL " " O " 8 0 1 1 119.68 6320 + 6321 3 14.633000 30.423000 31.929000 406 V A 2 "VAL " " CB " 6 0 1 1 107.31 6321 + 6322 3 13.332000 30.328000 32.753000 406 V A 2 "VAL " " CG1" 6 0 1 1 102.13 6322 + 6323 3 15.000000 29.026000 31.399000 406 V A 2 "VAL " " CG2" 6 0 1 1 105.56 6323 + 6324 43 16.729000 31.476000 30.969000 406 V A 2 "VAL " " H " 1 0 1 1 109.19 6324 + 6325 41 14.119000 31.034000 29.914000 406 V A 2 "VAL " " HA " 1 0 1 1 110.75 6325 + 6326 41 15.420000 30.705000 32.628000 406 V A 2 "VAL " " HB " 1 0 1 1 107.31 6326 + 6327 41 13.408000 29.533000 33.493000 406 V A 2 "VAL " "HG11" 1 0 1 1 102.13 6327 + 6328 41 13.123000 31.238000 33.316000 406 V A 2 "VAL " "HG12" 1 0 1 1 102.13 6328 + 6329 41 12.476000 30.123000 32.112000 406 V A 2 "VAL " "HG13" 1 0 1 1 102.13 6329 + 6330 41 15.092000 28.304000 32.210000 406 V A 2 "VAL " "HG21" 1 0 1 1 105.56 6330 + 6331 41 14.236000 28.656000 30.714000 406 V A 2 "VAL " "HG22" 1 0 1 1 105.56 6331 + 6332 41 15.945000 29.030000 30.858000 406 V A 2 "VAL " "HG23" 1 0 1 1 105.56 6332 + 6333 25 14.348000 33.492000 32.136000 407 I A 2 "ILE " " N " 7 0 0 1 121.69 6333 + 6334 3 13.685000 34.671000 32.694000 407 I A 2 "ILE " " CA " 6 0 0 1 122.34 6334 + 6335 2 13.483000 35.812000 31.673000 407 I A 2 "ILE " " C " 6 0 0 1 122.03 6335 + 6336 15 12.413000 36.422000 31.680000 407 I A 2 "ILE " " O " 8 0 0 1 124.87 6336 + 6337 3 14.433000 35.182000 33.964000 407 I A 2 "ILE " " CB " 6 0 0 1 120.45 6337 + 6338 3 14.344000 34.156000 35.124000 407 I A 2 "ILE " " CG1" 6 0 0 1 116.96 6338 + 6339 3 14.039000 36.593000 34.460000 407 I A 2 "ILE " " CG2" 6 0 0 1 123.85 6339 + 6340 3 12.926000 33.855000 35.639000 407 I A 2 "ILE " " CD1" 6 0 0 1 109.81 6340 + 6341 43 15.233000 33.241000 32.554000 407 I A 2 "ILE " " H " 1 0 0 1 121.69 6341 + 6342 41 12.683000 34.356000 32.991000 407 I A 2 "ILE " " HA " 1 0 0 1 122.34 6342 + 6343 41 15.492000 35.242000 33.704000 407 I A 2 "ILE " " HB " 1 0 0 1 120.45 6343 + 6344 41 14.966000 34.490000 35.955000 407 I A 2 "ILE " "HG13" 1 0 0 1 116.96 6344 + 6345 41 14.781000 33.211000 34.805000 407 I A 2 "ILE " "HG12" 1 0 0 1 116.96 6345 + 6346 41 14.538000 36.830000 35.400000 407 I A 2 "ILE " "HG21" 1 0 0 1 123.85 6346 + 6347 41 14.330000 37.370000 33.752000 407 I A 2 "ILE " "HG22" 1 0 0 1 123.85 6347 + 6348 41 12.966000 36.680000 34.624000 407 I A 2 "ILE " "HG23" 1 0 0 1 123.85 6348 + 6349 41 12.959000 33.497000 36.668000 407 I A 2 "ILE " "HD11" 1 0 0 1 109.81 6349 + 6350 41 12.281000 34.732000 35.621000 407 I A 2 "ILE " "HD12" 1 0 0 1 109.81 6350 + 6351 41 12.449000 33.080000 35.040000 407 I A 2 "ILE " "HD13" 1 0 0 1 109.81 6351 + 6352 25 14.469000 36.038000 30.783000 408 Q A 2 "GLN " " N " 7 0 0 1 121.17 6352 + 6353 3 14.385000 37.039000 29.712000 408 Q A 2 "GLN " " CA " 6 0 0 1 124.17 6353 + 6354 2 13.506000 36.606000 28.515000 408 Q A 2 "GLN " " C " 6 0 0 1 125.33 6354 + 6355 15 13.252000 37.448000 27.654000 408 Q A 2 "GLN " " O " 8 0 0 1 126.88 6355 + 6356 3 15.808000 37.478000 29.280000 408 Q A 2 "GLN " " CB " 6 0 0 1 124.68 6356 + 6357 3 16.643000 36.437000 28.493000 408 Q A 2 "GLN " " CG " 6 0 0 1 130.02 6357 + 6358 2 17.040000 36.854000 27.072000 408 Q A 2 "GLN " " CD " 6 0 0 1 130.96 6358 + 6359 15 18.202000 36.728000 26.688000 408 Q A 2 "GLN " " OE1" 8 0 0 1 126.83 6359 + 6360 25 16.082000 37.334000 26.277000 408 Q A 2 "GLN " " NE2" 7 0 0 1 132.69 6360 + 6361 43 15.323000 35.498000 30.831000 408 Q A 2 "GLN " " H " 1 0 0 1 121.17 6361 + 6362 41 13.905000 37.924000 30.133000 408 Q A 2 "GLN " " HA " 1 0 0 1 124.17 6362 + 6363 41 16.365000 37.759000 30.175000 408 Q A 2 "GLN " " HB3" 1 0 0 1 124.68 6363 + 6364 41 15.730000 38.409000 28.716000 408 Q A 2 "GLN " " HB2" 1 0 0 1 124.68 6364 + 6365 41 16.124000 35.484000 28.440000 408 Q A 2 "GLN " " HG3" 1 0 0 1 130.02 6365 + 6366 41 17.569000 36.251000 29.034000 408 Q A 2 "GLN " " HG2" 1 0 0 1 130.02 6366 + 6367 43 16.297000 37.626000 25.336000 408 Q A 2 "GLN " "HE22" 1 0 0 1 132.69 6367 + 6368 43 15.133000 37.419000 26.618000 408 Q A 2 "GLN " "HE21" 1 0 0 1 132.69 6368 + 6369 25 13.064000 35.335000 28.472000 409 A A 2 "ALA " " N " 7 0 0 1 123.9 6369 + 6370 3 12.196000 34.781000 27.427000 409 A A 2 "ALA " " CA " 6 0 0 1 120.93 6370 + 6371 2 10.789000 34.421000 27.936000 409 A A 2 "ALA " " C " 6 0 0 1 119.3 6371 + 6372 15 9.897000 34.252000 27.106000 409 A A 2 "ALA " " O " 8 0 0 1 122.52 6372 + 6373 3 12.868000 33.537000 26.828000 409 A A 2 "ALA " " CB " 6 0 0 1 124.16 6373 + 6374 43 13.332000 34.695000 29.207000 409 A A 2 "ALA " " H " 1 0 0 1 123.9 6374 + 6375 41 12.064000 35.506000 26.622000 409 A A 2 "ALA " " HA " 1 0 0 1 120.93 6375 + 6376 41 12.277000 33.120000 26.011000 409 A A 2 "ALA " " HB1" 1 0 0 1 124.16 6376 + 6377 41 13.851000 33.779000 26.425000 409 A A 2 "ALA " " HB2" 1 0 0 1 124.16 6377 + 6378 41 12.995000 32.752000 27.575000 409 A A 2 "ALA " " HB3" 1 0 0 1 124.16 6378 + 6379 25 10.601000 34.332000 29.267000 410 M A 2 "MET " " N " 7 0 1 1 116.44 6379 + 6380 3 9.346000 33.960000 29.929000 410 M A 2 "MET " " CA " 6 0 1 1 114.99 6380 + 6381 2 8.079000 34.775000 29.573000 410 M A 2 "MET " " C " 6 0 1 1 117.65 6381 + 6382 15 7.024000 34.143000 29.505000 410 M A 2 "MET " " O " 8 0 1 1 110.34 6382 + 6383 3 9.531000 33.888000 31.468000 410 M A 2 "MET " " CB " 6 0 1 1 119.2 6383 + 6384 3 9.722000 32.466000 32.030000 410 M A 2 "MET " " CG " 6 0 1 1 118.35 6384 + 6385 49 8.440000 31.241000 31.624000 410 M A 2 "MET " " SD " 16 0 1 1 118.24 6385 + 6386 3 6.966000 32.011000 32.347000 410 M A 2 "MET " " CE " 6 0 1 1 119.45 6386 + 6387 43 11.390000 34.479000 29.880000 410 M A 2 "MET " " H " 1 0 1 1 116.44 6387 + 6388 41 9.145000 32.954000 29.562000 410 M A 2 "MET " " HA " 1 0 1 1 114.99 6388 + 6389 41 8.685000 34.340000 31.986000 410 M A 2 "MET " " HB3" 1 0 1 1 119.2 6389 + 6390 41 10.385000 34.498000 31.764000 410 M A 2 "MET " " HB2" 1 0 1 1 119.2 6390 + 6391 41 9.806000 32.518000 33.116000 410 M A 2 "MET " " HG3" 1 0 1 1 118.35 6391 + 6392 41 10.667000 32.058000 31.677000 410 M A 2 "MET " " HG2" 1 0 1 1 118.35 6392 + 6393 41 6.110000 31.346000 32.237000 410 M A 2 "MET " " HE1" 1 0 1 1 119.45 6393 + 6394 41 7.121000 32.204000 33.408000 410 M A 2 "MET " " HE2" 1 0 1 1 119.45 6394 + 6395 41 6.730000 32.952000 31.853000 410 M A 2 "MET " " HE3" 1 0 1 1 119.45 6395 + 6396 25 8.168000 36.106000 29.311000 411 P A 2 "PRO " " N " 7 0 1 1 122.02 6396 + 6397 3 6.999000 36.906000 28.892000 411 P A 2 "PRO " " CA " 6 0 1 1 122.58 6397 + 6398 2 6.315000 36.403000 27.611000 411 P A 2 "PRO " " C " 6 0 1 1 124.07 6398 + 6399 15 5.152000 36.015000 27.661000 411 P A 2 "PRO " " O " 8 0 1 1 125.83 6399 + 6400 3 7.550000 38.338000 28.752000 411 P A 2 "PRO " " CB " 6 0 1 1 119.65 6400 + 6401 3 8.726000 38.377000 29.709000 411 P A 2 "PRO " " CG " 6 0 1 1 119.08 6401 + 6402 3 9.315000 36.982000 29.572000 411 P A 2 "PRO " " CD " 6 0 1 1 121.71 6402 + 6403 41 6.279000 36.884000 29.712000 411 P A 2 "PRO " " HA " 1 0 1 1 122.58 6403 + 6404 41 6.803000 39.097000 28.987000 411 P A 2 "PRO " " HB3" 1 0 1 1 119.65 6404 + 6405 41 7.908000 38.536000 27.740000 411 P A 2 "PRO " " HB2" 1 0 1 1 119.65 6405 + 6406 41 8.361000 38.518000 30.727000 411 P A 2 "PRO " " HG3" 1 0 1 1 119.08 6406 + 6407 41 9.440000 39.173000 29.492000 411 P A 2 "PRO " " HG2" 1 0 1 1 119.08 6407 + 6408 41 9.989000 36.962000 28.716000 411 P A 2 "PRO " " HD2" 1 0 1 1 121.71 6408 + 6409 41 9.876000 36.704000 30.465000 411 P A 2 "PRO " " HD3" 1 0 1 1 121.71 6409 + 6410 25 7.063000 36.361000 26.502000 412 T A 2 "THR " " N " 7 0 1 1 120.72 6410 + 6411 3 6.573000 35.917000 25.199000 412 T A 2 "THR " " CA " 6 0 1 1 114.18 6411 + 6412 2 6.253000 34.406000 25.152000 412 T A 2 "THR " " C " 6 0 1 1 107.96 6412 + 6413 15 5.412000 34.010000 24.352000 412 T A 2 "THR " " O " 8 0 1 1 103.07 6413 + 6414 3 7.610000 36.249000 24.098000 412 T A 2 "THR " " CB " 6 0 1 1 113.23 6414 + 6415 16 8.813000 35.514000 24.246000 412 T A 2 "THR " " OG1" 8 0 1 1 108.21 6415 + 6416 3 7.960000 37.745000 24.058000 412 T A 2 "THR " " CG2" 6 0 1 1 111.3 6416 + 6417 43 8.028000 36.659000 26.533000 412 T A 2 "THR " " H " 1 0 1 1 120.72 6417 + 6418 41 5.651000 36.462000 24.982000 412 T A 2 "THR " " HA " 1 0 1 1 114.18 6418 + 6419 41 7.193000 35.977000 23.126000 412 T A 2 "THR " " HB " 1 0 1 1 113.23 6419 + 6420 42 8.615000 34.577000 24.170000 412 T A 2 "THR " " HG1" 1 0 1 1 108.21 6420 + 6421 41 8.745000 37.935000 23.333000 412 T A 2 "THR " "HG21" 1 0 1 1 111.3 6421 + 6422 41 7.091000 38.347000 23.792000 412 T A 2 "THR " "HG22" 1 0 1 1 111.3 6422 + 6423 41 8.334000 38.106000 25.016000 412 T A 2 "THR " "HG23" 1 0 1 1 111.3 6423 + 6424 25 6.886000 33.606000 26.027000 413 L A 2 "LEU " " N " 7 0 1 1 101.36 6424 + 6425 3 6.672000 32.165000 26.155000 413 L A 2 "LEU " " CA " 6 0 1 1 108.28 6425 + 6426 2 5.311000 31.827000 26.782000 413 L A 2 "LEU " " C " 6 0 1 1 111.24 6426 + 6427 15 4.608000 30.973000 26.242000 413 L A 2 "LEU " " O " 8 0 1 1 110.81 6427 + 6428 3 7.846000 31.579000 26.959000 413 L A 2 "LEU " " CB " 6 0 1 1 111.58 6428 + 6429 3 8.073000 30.057000 26.853000 413 L A 2 "LEU " " CG " 6 0 1 1 112.36 6429 + 6430 3 9.453000 29.733000 27.441000 413 L A 2 "LEU " " CD1" 6 0 1 1 110.43 6430 + 6431 3 6.985000 29.185000 27.515000 413 L A 2 "LEU " " CD2" 6 0 1 1 109.98 6431 + 6432 43 7.562000 34.010000 26.660000 413 L A 2 "LEU " " H " 1 0 1 1 101.36 6432 + 6433 41 6.700000 31.738000 25.150000 413 L A 2 "LEU " " HA " 1 0 1 1 108.28 6433 + 6434 41 7.779000 31.874000 28.006000 413 L A 2 "LEU " " HB3" 1 0 1 1 111.58 6434 + 6435 41 8.747000 32.055000 26.573000 413 L A 2 "LEU " " HB2" 1 0 1 1 111.58 6435 + 6436 41 8.109000 29.802000 25.793000 413 L A 2 "LEU " " HG " 1 0 1 1 112.36 6436 + 6437 41 9.933000 28.913000 26.908000 413 L A 2 "LEU " "HD11" 1 0 1 1 110.43 6437 + 6438 41 10.143000 30.577000 27.407000 413 L A 2 "LEU " "HD12" 1 0 1 1 110.43 6438 + 6439 41 9.352000 29.466000 28.489000 413 L A 2 "LEU " "HD13" 1 0 1 1 110.43 6439 + 6440 41 7.410000 28.301000 27.993000 413 L A 2 "LEU " "HD21" 1 0 1 1 109.98 6440 + 6441 41 6.432000 29.727000 28.282000 413 L A 2 "LEU " "HD22" 1 0 1 1 109.98 6441 + 6442 41 6.270000 28.824000 26.775000 413 L A 2 "LEU " "HD23" 1 0 1 1 109.98 6442 + 6443 25 4.951000 32.493000 27.897000 414 I A 2 "ILE " " N " 7 0 1 1 116.27 6443 + 6444 3 3.666000 32.274000 28.569000 414 I A 2 "ILE " " CA " 6 0 1 1 116.05 6444 + 6445 2 2.476000 32.829000 27.751000 414 I A 2 "ILE " " C " 6 0 1 1 116.13 6445 + 6446 15 1.375000 32.295000 27.863000 414 I A 2 "ILE " " O " 8 0 1 1 111.46 6446 + 6447 3 3.655000 32.831000 30.030000 414 I A 2 "ILE " " CB " 6 0 1 1 115 6447 + 6448 3 2.582000 32.167000 30.925000 414 I A 2 "ILE " " CG1" 6 0 1 1 108.67 6448 + 6449 3 3.528000 34.364000 30.132000 414 I A 2 "ILE " " CG2" 6 0 1 1 114.02 6449 + 6450 3 2.924000 30.732000 31.350000 414 I A 2 "ILE " " CD1" 6 0 1 1 101.14 6450 + 6451 43 5.569000 33.183000 28.303000 414 I A 2 "ILE " " H " 1 0 1 1 116.27 6451 + 6452 41 3.524000 31.196000 28.622000 414 I A 2 "ILE " " HA " 1 0 1 1 116.05 6452 + 6453 41 4.622000 32.582000 30.469000 414 I A 2 "ILE " " HB " 1 0 1 1 115 6453 + 6454 41 1.599000 32.198000 30.455000 414 I A 2 "ILE " "HG13" 1 0 1 1 108.67 6454 + 6455 41 2.476000 32.748000 31.841000 414 I A 2 "ILE " "HG12" 1 0 1 1 108.67 6455 + 6456 41 3.588000 34.691000 31.170000 414 I A 2 "ILE " "HG21" 1 0 1 1 114.02 6456 + 6457 41 4.346000 34.850000 29.614000 414 I A 2 "ILE " "HG22" 1 0 1 1 114.02 6457 + 6458 41 2.588000 34.742000 29.729000 414 I A 2 "ILE " "HG23" 1 0 1 1 114.02 6458 + 6459 41 2.020000 30.177000 31.601000 414 I A 2 "ILE " "HD11" 1 0 1 1 101.14 6459 + 6460 41 3.447000 30.178000 30.573000 414 I A 2 "ILE " "HD12" 1 0 1 1 101.14 6460 + 6461 41 3.563000 30.732000 32.233000 414 I A 2 "ILE " "HD13" 1 0 1 1 101.14 6461 + 6462 25 2.729000 33.833000 26.892000 415 E A 2 "GLU " " N " 7 0 1 1 117.12 6462 + 6463 3 1.777000 34.333000 25.897000 415 E A 2 "GLU " " CA " 6 0 1 1 118.09 6463 + 6464 2 1.522000 33.331000 24.754000 415 E A 2 "GLU " " C " 6 0 1 1 113.22 6464 + 6465 15 0.382000 33.234000 24.298000 415 E A 2 "GLU " " O " 8 0 1 1 105.2 6465 + 6466 3 2.267000 35.685000 25.349000 415 E A 2 "GLU " " CB " 6 0 1 1 125.06 6466 + 6467 3 2.202000 36.820000 26.387000 415 E A 2 "GLU " " CG " 6 0 1 1 135.49 6467 + 6468 2 2.782000 38.121000 25.834000 415 E A 2 "GLU " " CD " 6 0 1 1 146.75 6468 + 6469 15 2.163000 38.658000 24.890000 415 E A 2 "GLU " " OE1" 8 0 1 1 151.77 6469 + 6470 18 3.834000 38.553000 26.353000 415 E A 2 "GLU " " OE2" 8 -1 1 1 153.78 6470 + 6471 43 3.652000 34.243000 26.867000 415 E A 2 "GLU " " H " 1 0 1 1 117.12 6471 + 6472 41 0.820000 34.498000 26.396000 415 E A 2 "GLU " " HA " 1 0 1 1 118.09 6472 + 6473 41 1.669000 35.965000 24.479000 415 E A 2 "GLU " " HB3" 1 0 1 1 125.06 6473 + 6474 41 3.290000 35.584000 24.985000 415 E A 2 "GLU " " HB2" 1 0 1 1 125.06 6474 + 6475 41 2.720000 36.548000 27.305000 415 E A 2 "GLU " " HG3" 1 0 1 1 135.49 6475 + 6476 41 1.164000 36.999000 26.669000 415 E A 2 "GLU " " HG2" 1 0 1 1 135.49 6476 + 6477 25 2.559000 32.569000 24.352000 416 L A 2 "LEU " " N " 7 0 1 1 110 6477 + 6478 3 2.469000 31.497000 23.352000 416 L A 2 "LEU " " CA " 6 0 1 1 107.83 6478 + 6479 2 1.647000 30.276000 23.813000 416 L A 2 "LEU " " C " 6 0 1 1 108.32 6479 + 6480 15 1.243000 29.484000 22.962000 416 L A 2 "LEU " " O " 8 0 1 1 109.35 6480 + 6481 3 3.882000 31.061000 22.899000 416 L A 2 "LEU " " CB " 6 0 1 1 102.33 6481 + 6482 3 4.576000 32.052000 21.942000 416 L A 2 "LEU " " CG " 6 0 1 1 100.9 6482 + 6483 3 6.101000 31.831000 21.906000 416 L A 2 "LEU " " CD1" 6 0 1 1 103.71 6483 + 6484 3 3.947000 32.034000 20.540000 416 L A 2 "LEU " " CD2" 6 0 1 1 97.14 6484 + 6485 43 3.467000 32.706000 24.773000 416 L A 2 "LEU " " H " 1 0 1 1 110 6485 + 6486 41 1.946000 31.919000 22.494000 416 L A 2 "LEU " " HA " 1 0 1 1 107.83 6486 + 6487 41 3.846000 30.090000 22.402000 416 L A 2 "LEU " " HB3" 1 0 1 1 102.33 6487 + 6488 41 4.499000 30.904000 23.781000 416 L A 2 "LEU " " HB2" 1 0 1 1 102.33 6488 + 6489 41 4.408000 33.054000 22.331000 416 L A 2 "LEU " " HG " 1 0 1 1 100.9 6489 + 6490 41 6.629000 32.762000 22.113000 416 L A 2 "LEU " "HD11" 1 0 1 1 103.71 6490 + 6491 41 6.433000 31.107000 22.650000 416 L A 2 "LEU " "HD12" 1 0 1 1 103.71 6491 + 6492 41 6.448000 31.476000 20.937000 416 L A 2 "LEU " "HD13" 1 0 1 1 103.71 6492 + 6493 41 4.640000 31.695000 19.773000 416 L A 2 "LEU " "HD21" 1 0 1 1 97.14 6493 + 6494 41 3.086000 31.371000 20.500000 416 L A 2 "LEU " "HD22" 1 0 1 1 97.14 6494 + 6495 41 3.601000 33.027000 20.253000 416 L A 2 "LEU " "HD23" 1 0 1 1 97.14 6495 + 6496 25 1.368000 30.150000 25.124000 417 M A 2 "MET " " N " 7 0 0 1 106.85 6496 + 6497 3 0.442000 29.150000 25.661000 417 M A 2 "MET " " CA " 6 0 0 1 106.8 6497 + 6498 2 -1.026000 29.373000 25.273000 417 M A 2 "MET " " C " 6 0 0 1 113.46 6498 + 6499 15 -1.795000 28.416000 25.352000 417 M A 2 "MET " " O " 8 0 0 1 109.76 6499 + 6500 3 0.533000 29.091000 27.189000 417 M A 2 "MET " " CB " 6 0 0 1 105.19 6500 + 6501 3 1.870000 28.559000 27.700000 417 M A 2 "MET " " CG " 6 0 0 1 105.9 6501 + 6502 49 1.775000 27.972000 29.404000 417 M A 2 "MET " " SD " 16 0 0 1 112.08 6502 + 6503 3 0.616000 26.589000 29.219000 417 M A 2 "MET " " CE " 6 0 0 1 97.76 6503 + 6504 43 1.737000 30.825000 25.780000 417 M A 2 "MET " " H " 1 0 0 1 106.85 6504 + 6505 41 0.724000 28.172000 25.265000 417 M A 2 "MET " " HA " 1 0 0 1 106.8 6505 + 6506 41 -0.270000 28.460000 27.567000 417 M A 2 "MET " " HB3" 1 0 0 1 105.19 6506 + 6507 41 0.338000 30.072000 27.615000 417 M A 2 "MET " " HB2" 1 0 0 1 105.19 6507 + 6508 41 2.640000 29.325000 27.626000 417 M A 2 "MET " " HG3" 1 0 0 1 105.9 6508 + 6509 41 2.204000 27.726000 27.082000 417 M A 2 "MET " " HG2" 1 0 0 1 105.9 6509 + 6510 41 0.785000 25.853000 30.005000 417 M A 2 "MET " " HE1" 1 0 0 1 97.76 6510 + 6511 41 -0.413000 26.940000 29.295000 417 M A 2 "MET " " HE2" 1 0 0 1 97.76 6511 + 6512 41 0.742000 26.106000 28.252000 417 M A 2 "MET " " HE3" 1 0 0 1 97.76 6512 + 6513 25 -1.387000 30.604000 24.874000 418 K A 2 "LYS " " N " 7 0 0 1 119.95 6513 + 6514 3 -2.717000 30.961000 24.387000 418 K A 2 "LYS " " CA " 6 0 0 1 123.47 6514 + 6515 2 -2.636000 31.541000 22.961000 418 K A 2 "LYS " " C " 6 0 0 1 125.51 6515 + 6516 15 -3.475000 32.354000 22.576000 418 K A 2 "LYS " " O " 8 0 0 1 126.76 6516 + 6517 3 -3.412000 31.881000 25.419000 418 K A 2 "LYS " " CB " 6 0 0 1 126.99 6517 + 6518 3 -4.949000 32.004000 25.292000 418 K A 2 "LYS " " CG " 6 0 0 1 132.02 6518 + 6519 3 -5.766000 30.691000 25.294000 418 K A 2 "LYS " " CD " 6 0 0 1 137.36 6519 + 6520 3 -5.746000 29.893000 26.612000 418 K A 2 "LYS " " CE " 6 0 0 1 133.33 6520 + 6521 32 -4.453000 29.237000 26.875000 418 K A 2 "LYS " " NZ " 7 1 0 1 135.66 6521 + 6522 43 -0.694000 31.341000 24.845000 418 K A 2 "LYS " " H " 1 0 0 1 119.95 6522 + 6523 41 -3.307000 30.056000 24.277000 418 K A 2 "LYS " " HA " 1 0 0 1 123.47 6523 + 6524 41 -2.961000 32.874000 25.383000 418 K A 2 "LYS " " HB3" 1 0 0 1 126.99 6524 + 6525 41 -3.193000 31.518000 26.423000 418 K A 2 "LYS " " HB2" 1 0 0 1 126.99 6525 + 6526 41 -5.197000 32.561000 24.390000 418 K A 2 "LYS " " HG3" 1 0 0 1 132.02 6526 + 6527 41 -5.308000 32.634000 26.107000 418 K A 2 "LYS " " HG2" 1 0 0 1 132.02 6527 + 6528 41 -5.474000 30.051000 24.463000 418 K A 2 "LYS " " HD3" 1 0 0 1 137.36 6528 + 6529 41 -6.803000 30.951000 25.080000 418 K A 2 "LYS " " HD2" 1 0 0 1 137.36 6529 + 6530 41 -6.508000 29.114000 26.575000 418 K A 2 "LYS " " HE3" 1 0 0 1 133.33 6530 + 6531 41 -5.999000 30.542000 27.452000 418 K A 2 "LYS " " HE2" 1 0 0 1 133.33 6531 + 6532 44 -4.230000 28.598000 26.125000 418 K A 2 "LYS " " HZ1" 1 0 0 1 135.66 6532 + 6533 44 -3.726000 29.935000 26.940000 418 K A 2 "LYS " " HZ2" 1 0 0 1 135.66 6533 + 6534 44 -4.503000 28.726000 27.745000 418 K A 2 "LYS " " HZ3" 1 0 0 1 135.66 6534 + 6535 25 -1.641000 31.077000 22.186000 419 D A 2 "ASP " " N " 7 0 0 1 127.82 6535 + 6536 3 -1.439000 31.370000 20.766000 419 D A 2 "ASP " " CA " 6 0 0 1 123.61 6536 + 6537 2 -2.644000 30.878000 19.921000 419 D A 2 "ASP " " C " 6 0 0 1 119.05 6537 + 6538 15 -3.224000 29.848000 20.271000 419 D A 2 "ASP " " O " 8 0 0 1 114.75 6538 + 6539 3 -0.124000 30.692000 20.321000 419 D A 2 "ASP " " CB " 6 0 0 1 123.9 6539 + 6540 2 0.343000 31.041000 18.913000 419 D A 2 "ASP " " CG " 6 0 0 1 121.63 6540 + 6541 15 -0.179000 30.415000 17.968000 419 D A 2 "ASP " " OD1" 8 0 0 1 119.08 6541 + 6542 18 1.222000 31.921000 18.795000 419 D A 2 "ASP " " OD2" 8 -1 0 1 120.87 6542 + 6543 43 -0.984000 30.421000 22.583000 419 D A 2 "ASP " " H " 1 0 0 1 127.82 6543 + 6544 41 -1.332000 32.453000 20.697000 419 D A 2 "ASP " " HA " 1 0 0 1 123.61 6544 + 6545 41 -0.183000 29.606000 20.410000 419 D A 2 "ASP " " HB3" 1 0 0 1 123.9 6545 + 6546 41 0.681000 30.975000 20.991000 419 D A 2 "ASP " " HB2" 1 0 0 1 123.9 6546 + 6547 25 -3.007000 31.591000 18.826000 420 P A 2 "PRO " " N " 7 0 0 1 117.01 6547 + 6548 3 -4.077000 31.146000 17.906000 420 P A 2 "PRO " " CA " 6 0 0 1 117.35 6548 + 6549 2 -3.921000 29.728000 17.314000 420 P A 2 "PRO " " C " 6 0 0 1 120.8 6549 + 6550 15 -4.930000 29.032000 17.193000 420 P A 2 "PRO " " O " 8 0 0 1 123.07 6550 + 6551 3 -4.106000 32.226000 16.807000 420 P A 2 "PRO " " CB " 6 0 0 1 114.09 6551 + 6552 3 -2.751000 32.909000 16.889000 420 P A 2 "PRO " " CG " 6 0 0 1 116.76 6552 + 6553 3 -2.460000 32.876000 18.381000 420 P A 2 "PRO " " CD " 6 0 0 1 117.28 6553 + 6554 41 -5.024000 31.169000 18.447000 420 P A 2 "PRO " " HA " 1 0 0 1 117.35 6554 + 6555 41 -4.891000 32.948000 17.037000 420 P A 2 "PRO " " HB3" 1 0 0 1 114.09 6555 + 6556 41 -4.311000 31.838000 15.808000 420 P A 2 "PRO " " HB2" 1 0 0 1 114.09 6556 + 6557 41 -2.746000 33.914000 16.469000 420 P A 2 "PRO " " HG3" 1 0 0 1 116.76 6557 + 6558 41 -2.005000 32.315000 16.358000 420 P A 2 "PRO " " HG2" 1 0 0 1 116.76 6558 + 6559 41 -1.399000 33.028000 18.562000 420 P A 2 "PRO " " HD2" 1 0 0 1 117.28 6559 + 6560 41 -2.998000 33.674000 18.894000 420 P A 2 "PRO " " HD3" 1 0 0 1 117.28 6560 + 6561 25 -2.681000 29.309000 17.000000 421 S A 2 "SER " " N " 7 0 0 1 122.72 6561 + 6562 3 -2.364000 27.953000 16.550000 421 S A 2 "SER " " CA " 6 0 0 1 121.72 6562 + 6563 2 -2.464000 26.962000 17.718000 421 S A 2 "SER " " C " 6 0 0 1 121.39 6563 + 6564 15 -1.817000 27.167000 18.744000 421 S A 2 "SER " " O " 8 0 0 1 125.88 6564 + 6565 3 -0.958000 27.925000 15.913000 421 S A 2 "SER " " CB " 6 0 0 1 118.77 6565 + 6566 16 -0.594000 26.626000 15.481000 421 S A 2 "SER " " OG " 8 0 0 1 113.99 6566 + 6567 43 -1.884000 29.908000 17.188000 421 S A 2 "SER " " H " 1 0 0 1 122.72 6567 + 6568 41 -3.087000 27.672000 15.781000 421 S A 2 "SER " " HA " 1 0 0 1 121.72 6568 + 6569 41 -0.203000 28.265000 16.618000 421 S A 2 "SER " " HB3" 1 0 0 1 118.77 6569 + 6570 41 -0.918000 28.601000 15.058000 421 S A 2 "SER " " HB2" 1 0 0 1 118.77 6570 + 6571 42 -1.040000 26.440000 14.651000 421 S A 2 "SER " " HG " 1 0 0 1 113.99 6571 + 6572 25 -3.243000 25.889000 17.508000 422 V A 2 "VAL " " N " 7 0 1 1 116.61 6572 + 6573 3 -3.437000 24.794000 18.460000 422 V A 2 "VAL " " CA " 6 0 1 1 112.41 6573 + 6574 2 -2.136000 24.001000 18.719000 422 V A 2 "VAL " " C " 6 0 1 1 114.53 6574 + 6575 15 -1.929000 23.552000 19.845000 422 V A 2 "VAL " " O " 8 0 1 1 113.26 6575 + 6576 3 -4.538000 23.809000 17.963000 422 V A 2 "VAL " " CB " 6 0 1 1 108.47 6576 + 6577 3 -4.826000 22.643000 18.934000 422 V A 2 "VAL " " CG1" 6 0 1 1 106.19 6577 + 6578 3 -5.856000 24.538000 17.633000 422 V A 2 "VAL " " CG2" 6 0 1 1 108.87 6578 + 6579 43 -3.734000 25.799000 16.631000 422 V A 2 "VAL " " H " 1 0 1 1 116.61 6579 + 6580 41 -3.752000 25.223000 19.412000 422 V A 2 "VAL " " HA " 1 0 1 1 112.41 6580 + 6581 41 -4.193000 23.359000 17.030000 422 V A 2 "VAL " " HB " 1 0 1 1 108.47 6581 + 6582 41 -5.668000 22.042000 18.589000 422 V A 2 "VAL " "HG11" 1 0 1 1 106.19 6582 + 6583 41 -3.979000 21.963000 19.026000 422 V A 2 "VAL " "HG12" 1 0 1 1 106.19 6583 + 6584 41 -5.068000 23.008000 19.932000 422 V A 2 "VAL " "HG13" 1 0 1 1 106.19 6584 + 6585 41 -6.626000 23.835000 17.315000 422 V A 2 "VAL " "HG21" 1 0 1 1 108.87 6585 + 6586 41 -6.241000 25.082000 18.493000 422 V A 2 "VAL " "HG22" 1 0 1 1 108.87 6586 + 6587 41 -5.730000 25.253000 16.820000 422 V A 2 "VAL " "HG23" 1 0 1 1 108.87 6587 + 6588 25 -1.270000 23.890000 17.696000 423 V A 2 "VAL " " N " 7 0 1 1 112.86 6588 + 6589 3 0.021000 23.207000 17.782000 423 V A 2 "VAL " " CA " 6 0 1 1 108.78 6589 + 6590 2 1.033000 23.996000 18.642000 423 V A 2 "VAL " " C " 6 0 1 1 105.75 6590 + 6591 15 1.700000 23.385000 19.477000 423 V A 2 "VAL " " O " 8 0 1 1 109 6591 + 6592 3 0.642000 22.944000 16.379000 423 V A 2 "VAL " " CB " 6 0 1 1 105.32 6592 + 6593 3 1.959000 22.142000 16.444000 423 V A 2 "VAL " " CG1" 6 0 1 1 108.68 6593 + 6594 3 -0.344000 22.214000 15.447000 423 V A 2 "VAL " " CG2" 6 0 1 1 104.52 6594 + 6595 43 -1.494000 24.307000 16.804000 423 V A 2 "VAL " " H " 1 0 1 1 112.86 6595 + 6596 41 -0.145000 22.242000 18.267000 423 V A 2 "VAL " " HA " 1 0 1 1 108.78 6596 + 6597 41 0.871000 23.903000 15.912000 423 V A 2 "VAL " " HB " 1 0 1 1 105.32 6597 + 6598 41 2.335000 21.898000 15.451000 423 V A 2 "VAL " "HG11" 1 0 1 1 108.68 6598 + 6599 41 2.749000 22.690000 16.950000 423 V A 2 "VAL " "HG12" 1 0 1 1 108.68 6599 + 6600 41 1.819000 21.201000 16.977000 423 V A 2 "VAL " "HG13" 1 0 1 1 108.68 6600 + 6601 41 0.113000 21.984000 14.484000 423 V A 2 "VAL " "HG21" 1 0 1 1 104.52 6601 + 6602 41 -0.676000 21.272000 15.884000 423 V A 2 "VAL " "HG22" 1 0 1 1 104.52 6602 + 6603 41 -1.229000 22.817000 15.242000 423 V A 2 "VAL " "HG23" 1 0 1 1 104.52 6603 + 6604 25 1.087000 25.332000 18.466000 424 V A 2 "VAL " " N " 7 0 1 1 98.71 6604 + 6605 3 1.950000 26.222000 19.251000 424 V A 2 "VAL " " CA " 6 0 1 1 96.71 6605 + 6606 2 1.546000 26.284000 20.741000 424 V A 2 "VAL " " C " 6 0 1 1 99.37 6606 + 6607 15 2.447000 26.375000 21.572000 424 V A 2 "VAL " " O " 8 0 1 1 102.7 6607 + 6608 3 2.006000 27.671000 18.683000 424 V A 2 "VAL " " CB " 6 0 1 1 94.85 6608 + 6609 3 2.849000 28.649000 19.531000 424 V A 2 "VAL " " CG1" 6 0 1 1 88.7 6609 + 6610 3 2.548000 27.711000 17.243000 424 V A 2 "VAL " " CG2" 6 0 1 1 93.98 6610 + 6611 43 0.501000 25.772000 17.771000 424 V A 2 "VAL " " H " 1 0 1 1 98.71 6611 + 6612 41 2.961000 25.814000 19.210000 424 V A 2 "VAL " " HA " 1 0 1 1 96.71 6612 + 6613 41 0.985000 28.051000 18.653000 424 V A 2 "VAL " " HB " 1 0 1 1 94.85 6613 + 6614 41 2.989000 29.593000 19.007000 424 V A 2 "VAL " "HG11" 1 0 1 1 88.7 6614 + 6615 41 2.378000 28.888000 20.484000 424 V A 2 "VAL " "HG12" 1 0 1 1 88.7 6615 + 6616 41 3.841000 28.244000 19.737000 424 V A 2 "VAL " "HG13" 1 0 1 1 88.7 6616 + 6617 41 2.408000 28.697000 16.799000 424 V A 2 "VAL " "HG21" 1 0 1 1 93.98 6617 + 6618 41 3.616000 27.507000 17.230000 424 V A 2 "VAL " "HG22" 1 0 1 1 93.98 6618 + 6619 41 2.055000 26.991000 16.590000 424 V A 2 "VAL " "HG23" 1 0 1 1 93.98 6619 + 6620 25 0.239000 26.177000 21.066000 425 R A 2 "ARG " " N " 7 0 1 1 102.38 6620 + 6621 3 -0.234000 26.095000 22.456000 425 R A 2 "ARG " " CA " 6 0 1 1 107.54 6621 + 6622 2 0.269000 24.849000 23.199000 425 R A 2 "ARG " " C " 6 0 1 1 105.4 6622 + 6623 15 0.662000 24.981000 24.357000 425 R A 2 "ARG " " O " 8 0 1 1 107.95 6623 + 6624 3 -1.771000 26.139000 22.566000 425 R A 2 "ARG " " CB " 6 0 1 1 112.3 6624 + 6625 3 -2.408000 27.468000 22.148000 425 R A 2 "ARG " " CG " 6 0 1 1 115.09 6625 + 6626 3 -3.788000 27.701000 22.785000 425 R A 2 "ARG " " CD " 6 0 1 1 110.75 6626 + 6627 25 -4.741000 26.631000 22.475000 425 R A 2 "ARG " " NE " 7 0 1 1 113.1 6627 + 6628 2 -5.402000 26.470000 21.320000 425 R A 2 "ARG " " CZ " 6 0 1 1 109.53 6628 + 6629 25 -5.248000 27.327000 20.299000 425 R A 2 "ARG " " NH1" 7 0 1 1 109.98 6629 + 6630 31 -6.235000 25.429000 21.200000 425 R A 2 "ARG " " NH2" 7 1 1 1 107.77 6630 + 6631 43 -0.458000 26.101000 20.339000 425 R A 2 "ARG " " H " 1 0 1 1 102.38 6631 + 6632 41 0.163000 26.965000 22.982000 425 R A 2 "ARG " " HA " 1 0 1 1 107.54 6632 + 6633 41 -2.026000 25.979000 23.616000 425 R A 2 "ARG " " HB3" 1 0 1 1 112.3 6633 + 6634 41 -2.227000 25.313000 22.020000 425 R A 2 "ARG " " HB2" 1 0 1 1 112.3 6634 + 6635 41 -2.444000 27.555000 21.068000 425 R A 2 "ARG " " HG3" 1 0 1 1 115.09 6635 + 6636 41 -1.767000 28.280000 22.488000 425 R A 2 "ARG " " HG2" 1 0 1 1 115.09 6636 + 6637 41 -4.213000 28.649000 22.455000 425 R A 2 "ARG " " HD3" 1 0 1 1 110.75 6637 + 6638 41 -3.697000 27.770000 23.866000 425 R A 2 "ARG " " HD2" 1 0 1 1 110.75 6638 + 6639 43 -4.838000 25.917000 23.182000 425 R A 2 "ARG " " HE " 1 0 1 1 113.1 6639 + 6640 43 -5.749000 27.203000 19.431000 425 R A 2 "ARG " "HH12" 1 0 1 1 109.98 6640 + 6641 43 -4.601000 28.102000 20.382000 425 R A 2 "ARG " "HH11" 1 0 1 1 109.98 6641 + 6642 44 -6.752000 25.283000 20.346000 425 R A 2 "ARG " "HH22" 1 0 1 1 107.77 6642 + 6643 44 -6.347000 24.774000 21.961000 425 R A 2 "ARG " "HH21" 1 0 1 1 107.77 6643 + 6644 25 0.249000 23.682000 22.532000 426 D A 2 "ASP " " N " 7 0 1 1 107.64 6644 + 6645 3 0.682000 22.402000 23.107000 426 D A 2 "ASP " " CA " 6 0 1 1 109.72 6645 + 6646 2 2.200000 22.347000 23.337000 426 D A 2 "ASP " " C " 6 0 1 1 106.56 6646 + 6647 15 2.629000 21.859000 24.382000 426 D A 2 "ASP " " O " 8 0 1 1 105.5 6647 + 6648 3 0.213000 21.157000 22.313000 426 D A 2 "ASP " " CB " 6 0 1 1 114.84 6648 + 6649 2 -1.298000 21.040000 22.061000 426 D A 2 "ASP " " CG " 6 0 1 1 120.86 6649 + 6650 15 -1.671000 20.031000 21.426000 426 D A 2 "ASP " " OD1" 8 0 1 1 120.63 6650 + 6651 18 -2.062000 21.919000 22.519000 426 D A 2 "ASP " " OD2" 8 -1 1 1 131.01 6651 + 6652 43 -0.112000 23.647000 21.589000 426 D A 2 "ASP " " H " 1 0 1 1 107.64 6652 + 6653 41 0.218000 22.333000 24.094000 426 D A 2 "ASP " " HA " 1 0 1 1 109.72 6653 + 6654 41 0.525000 20.261000 22.852000 426 D A 2 "ASP " " HB3" 1 0 1 1 114.84 6654 + 6655 41 0.709000 21.155000 21.341000 426 D A 2 "ASP " " HB2" 1 0 1 1 114.84 6655 + 6656 25 2.981000 22.874000 22.383000 427 T A 2 "THR " " N " 7 0 1 1 102.31 6656 + 6657 3 4.439000 22.956000 22.473000 427 T A 2 "THR " " CA " 6 0 1 1 95.34 6657 + 6658 2 4.912000 24.010000 23.494000 427 T A 2 "THR " " C " 6 0 1 1 91.63 6658 + 6659 15 5.872000 23.740000 24.210000 427 T A 2 "THR " " O " 8 0 1 1 87.17 6659 + 6660 3 5.050000 23.286000 21.095000 427 T A 2 "THR " " CB " 6 0 1 1 91.84 6660 + 6661 16 4.711000 22.242000 20.206000 427 T A 2 "THR " " OG1" 8 0 1 1 99.34 6661 + 6662 3 6.579000 23.438000 21.040000 427 T A 2 "THR " " CG2" 6 0 1 1 92.3 6662 + 6663 43 2.566000 23.227000 21.530000 427 T A 2 "THR " " H " 1 0 1 1 102.31 6663 + 6664 41 4.817000 21.983000 22.792000 427 T A 2 "THR " " HA " 1 0 1 1 95.34 6664 + 6665 41 4.597000 24.206000 20.722000 427 T A 2 "THR " " HB " 1 0 1 1 91.84 6665 + 6666 42 4.738000 22.609000 19.312000 427 T A 2 "THR " " HG1" 1 0 1 1 99.34 6666 + 6667 41 6.910000 23.582000 20.013000 427 T A 2 "THR " "HG21" 1 0 1 1 92.3 6667 + 6668 41 6.925000 24.299000 21.601000 427 T A 2 "THR " "HG22" 1 0 1 1 92.3 6668 + 6669 41 7.084000 22.558000 21.438000 427 T A 2 "THR " "HG23" 1 0 1 1 92.3 6669 + 6670 25 4.206000 25.151000 23.594000 428 A A 2 "ALA " " N " 7 0 1 1 87.03 6670 + 6671 3 4.439000 26.175000 24.617000 428 A A 2 "ALA " " CA " 6 0 1 1 86.21 6671 + 6672 2 4.080000 25.711000 26.036000 428 A A 2 "ALA " " C " 6 0 1 1 88.35 6672 + 6673 15 4.729000 26.157000 26.981000 428 A A 2 "ALA " " O " 8 0 1 1 95.85 6673 + 6674 3 3.676000 27.453000 24.251000 428 A A 2 "ALA " " CB " 6 0 1 1 85.58 6674 + 6675 43 3.435000 25.322000 22.961000 428 A A 2 "ALA " " H " 1 0 1 1 87.03 6675 + 6676 41 5.503000 26.412000 24.628000 428 A A 2 "ALA " " HA " 1 0 1 1 86.21 6676 + 6677 41 3.824000 28.235000 24.996000 428 A A 2 "ALA " " HB1" 1 0 1 1 85.58 6677 + 6678 41 4.014000 27.849000 23.294000 428 A A 2 "ALA " " HB2" 1 0 1 1 85.58 6678 + 6679 41 2.606000 27.263000 24.172000 428 A A 2 "ALA " " HB3" 1 0 1 1 85.58 6679 + 6680 25 3.101000 24.797000 26.159000 429 A A 2 "ALA " " N " 7 0 1 1 86.35 6680 + 6681 3 2.760000 24.118000 27.409000 429 A A 2 "ALA " " CA " 6 0 1 1 86.88 6681 + 6682 2 3.832000 23.103000 27.834000 429 A A 2 "ALA " " C " 6 0 1 1 90.25 6682 + 6683 15 4.150000 23.037000 29.020000 429 A A 2 "ALA " " O " 8 0 1 1 90.68 6683 + 6684 3 1.388000 23.439000 27.274000 429 A A 2 "ALA " " CB " 6 0 1 1 84.58 6684 + 6685 43 2.592000 24.500000 25.338000 429 A A 2 "ALA " " H " 1 0 1 1 86.35 6685 + 6686 41 2.694000 24.871000 28.195000 429 A A 2 "ALA " " HA " 1 0 1 1 86.88 6686 + 6687 41 1.073000 23.001000 28.221000 429 A A 2 "ALA " " HB1" 1 0 1 1 84.58 6687 + 6688 41 0.620000 24.152000 26.974000 429 A A 2 "ALA " " HB2" 1 0 1 1 84.58 6688 + 6689 41 1.398000 22.642000 26.532000 429 A A 2 "ALA " " HB3" 1 0 1 1 84.58 6689 + 6690 25 4.386000 22.359000 26.861000 430 W A 2 "TRP " " N " 7 0 1 1 93.77 6690 + 6691 3 5.478000 21.403000 27.054000 430 W A 2 "TRP " " CA " 6 0 1 1 88.97 6691 + 6692 2 6.799000 22.081000 27.458000 430 W A 2 "TRP " " C " 6 0 1 1 85.59 6692 + 6693 15 7.458000 21.604000 28.381000 430 W A 2 "TRP " " O " 8 0 1 1 85.45 6693 + 6694 3 5.628000 20.544000 25.782000 430 W A 2 "TRP " " CB " 6 0 1 1 91.34 6694 + 6695 2 6.780000 19.580000 25.733000 430 W A 2 "TRP " " CG " 6 0 1 1 89.88 6695 + 6696 2 6.796000 18.350000 26.295000 430 W A 2 "TRP " " CD1" 6 0 1 1 89.5 6696 + 6697 2 8.109000 19.772000 25.154000 430 W A 2 "TRP " " CD2" 6 0 1 1 91.93 6697 + 6698 25 8.016000 17.751000 26.060000 430 W A 2 "TRP " " NE1" 7 0 1 1 91.46 6698 + 6699 2 8.865000 18.577000 25.353000 430 W A 2 "TRP " " CE2" 6 0 1 1 93.88 6699 + 6700 2 8.754000 20.832000 24.473000 430 W A 2 "TRP " " CE3" 6 0 1 1 87.85 6700 + 6701 2 10.186000 18.436000 24.887000 430 W A 2 "TRP " " CZ2" 6 0 1 1 93.36 6701 + 6702 2 10.085000 20.710000 24.024000 430 W A 2 "TRP " " CZ3" 6 0 1 1 87.81 6702 + 6703 2 10.801000 19.515000 24.227000 430 W A 2 "TRP " " CH2" 6 0 1 1 94.8 6703 + 6704 43 4.050000 22.460000 25.912000 430 W A 2 "TRP " " H " 1 0 1 1 93.77 6704 + 6705 41 5.201000 20.737000 27.873000 430 W A 2 "TRP " " HA " 1 0 1 1 88.97 6705 + 6706 41 5.728000 21.194000 24.913000 430 W A 2 "TRP " " HB3" 1 0 1 1 91.34 6706 + 6707 41 4.709000 19.979000 25.620000 430 W A 2 "TRP " " HB2" 1 0 1 1 91.34 6707 + 6708 41 5.966000 17.913000 26.830000 430 W A 2 "TRP " " HD1" 1 0 1 1 89.5 6708 + 6709 43 8.234000 16.818000 26.382000 430 W A 2 "TRP " " HE1" 1 0 1 1 91.46 6709 + 6710 41 8.215000 21.750000 24.293000 430 W A 2 "TRP " " HE3" 1 0 1 1 87.85 6710 + 6711 41 10.731000 17.519000 25.055000 430 W A 2 "TRP " " HZ2" 1 0 1 1 93.36 6711 + 6712 41 10.552000 21.533000 23.504000 430 W A 2 "TRP " " HZ3" 1 0 1 1 87.81 6712 + 6713 41 11.819000 19.426000 23.876000 430 W A 2 "TRP " " HH2" 1 0 1 1 94.8 6713 + 6714 25 7.144000 23.183000 26.773000 431 T A 2 "THR " " N " 7 0 1 1 82.71 6714 + 6715 3 8.352000 23.967000 27.018000 431 T A 2 "THR " " CA " 6 0 1 1 88.2 6715 + 6716 2 8.332000 24.666000 28.389000 431 T A 2 "THR " " C " 6 0 1 1 93.82 6716 + 6717 15 9.349000 24.605000 29.077000 431 T A 2 "THR " " O " 8 0 1 1 98.76 6717 + 6718 3 8.576000 25.022000 25.904000 431 T A 2 "THR " " CB " 6 0 1 1 89.5 6718 + 6719 16 8.854000 24.332000 24.703000 431 T A 2 "THR " " OG1" 8 0 1 1 89.51 6719 + 6720 3 9.718000 26.022000 26.140000 431 T A 2 "THR " " CG2" 6 0 1 1 91.82 6720 + 6721 43 6.567000 23.490000 26.000000 431 T A 2 "THR " " H " 1 0 1 1 82.71 6721 + 6722 41 9.198000 23.276000 27.010000 431 T A 2 "THR " " HA " 1 0 1 1 88.2 6722 + 6723 41 7.654000 25.583000 25.745000 431 T A 2 "THR " " HB " 1 0 1 1 89.5 6723 + 6724 42 9.217000 24.951000 24.061000 431 T A 2 "THR " " HG1" 1 0 1 1 89.51 6724 + 6725 41 9.889000 26.643000 25.260000 431 T A 2 "THR " "HG21" 1 0 1 1 91.82 6725 + 6726 41 9.498000 26.693000 26.969000 431 T A 2 "THR " "HG22" 1 0 1 1 91.82 6726 + 6727 41 10.643000 25.498000 26.373000 431 T A 2 "THR " "HG23" 1 0 1 1 91.82 6727 + 6728 25 7.188000 25.254000 28.793000 432 V A 2 "VAL " " N " 7 0 1 1 97.77 6728 + 6729 3 7.037000 25.842000 30.130000 432 V A 2 "VAL " " CA " 6 0 1 1 101.42 6729 + 6730 2 6.993000 24.768000 31.238000 432 V A 2 "VAL " " C " 6 0 1 1 103.68 6730 + 6731 15 7.507000 25.017000 32.327000 432 V A 2 "VAL " " O " 8 0 1 1 105.72 6731 + 6732 3 5.804000 26.797000 30.247000 432 V A 2 "VAL " " CB " 6 0 1 1 99.69 6732 + 6733 3 4.515000 26.202000 30.862000 432 V A 2 "VAL " " CG1" 6 0 1 1 99.9 6733 + 6734 3 6.177000 28.084000 31.001000 432 V A 2 "VAL " " CG2" 6 0 1 1 96.38 6734 + 6735 43 6.376000 25.273000 28.190000 432 V A 2 "VAL " " H " 1 0 1 1 97.77 6735 + 6736 41 7.937000 26.435000 30.309000 432 V A 2 "VAL " " HA " 1 0 1 1 101.42 6736 + 6737 41 5.538000 27.117000 29.240000 432 V A 2 "VAL " " HB " 1 0 1 1 99.69 6737 + 6738 41 3.744000 26.962000 30.935000 432 V A 2 "VAL " "HG11" 1 0 1 1 99.9 6738 + 6739 41 4.122000 25.388000 30.255000 432 V A 2 "VAL " "HG12" 1 0 1 1 99.9 6739 + 6740 41 4.655000 25.841000 31.880000 432 V A 2 "VAL " "HG13" 1 0 1 1 99.9 6740 + 6741 41 5.346000 28.788000 31.026000 432 V A 2 "VAL " "HG21" 1 0 1 1 96.38 6741 + 6742 41 6.463000 27.870000 32.031000 432 V A 2 "VAL " "HG22" 1 0 1 1 96.38 6742 + 6743 41 7.015000 28.594000 30.525000 432 V A 2 "VAL " "HG23" 1 0 1 1 96.38 6743 + 6744 25 6.422000 23.589000 30.927000 433 G A 2 "GLY " " N " 7 0 1 1 103.75 6744 + 6745 3 6.350000 22.435000 31.823000 433 G A 2 "GLY " " CA " 6 0 1 1 106.21 6745 + 6746 2 7.741000 21.840000 32.097000 433 G A 2 "GLY " " C " 6 0 1 1 108.44 6746 + 6747 15 7.958000 21.294000 33.177000 433 G A 2 "GLY " " O " 8 0 1 1 109.03 6747 + 6748 43 6.006000 23.473000 30.013000 433 G A 2 "GLY " " H " 1 0 1 1 103.75 6748 + 6749 41 5.722000 21.671000 31.364000 433 G A 2 "GLY " " HA3" 1 0 1 1 106.21 6749 + 6750 41 5.876000 22.724000 32.763000 433 G A 2 "GLY " " HA2" 1 0 1 1 106.21 6750 + 6751 25 8.685000 21.988000 31.149000 434 R A 2 "ARG " " N " 7 0 1 1 110.02 6751 + 6752 3 10.094000 21.626000 31.302000 434 R A 2 "ARG " " CA " 6 0 1 1 107.89 6752 + 6753 2 10.886000 22.669000 32.097000 434 R A 2 "ARG " " C " 6 0 1 1 103.8 6753 + 6754 15 11.699000 22.256000 32.919000 434 R A 2 "ARG " " O " 8 0 1 1 107.95 6754 + 6755 3 10.725000 21.383000 29.921000 434 R A 2 "ARG " " CB " 6 0 1 1 103.55 6755 + 6756 3 10.350000 20.001000 29.374000 434 R A 2 "ARG " " CG " 6 0 1 1 100.3 6756 + 6757 3 10.854000 19.736000 27.953000 434 R A 2 "ARG " " CD " 6 0 1 1 103.23 6757 + 6758 25 12.319000 19.684000 27.848000 434 R A 2 "ARG " " NE " 7 0 1 1 103.56 6758 + 6759 2 13.120000 18.675000 28.228000 434 R A 2 "ARG " " CZ " 6 0 1 1 105.55 6759 + 6760 25 12.635000 17.571000 28.812000 434 R A 2 "ARG " " NH1" 7 0 1 1 95.87 6760 + 6761 31 14.437000 18.772000 28.008000 434 R A 2 "ARG " " NH2" 7 1 1 1 104.37 6761 + 6762 43 8.434000 22.424000 30.273000 434 R A 2 "ARG " " H " 1 0 1 1 110.02 6762 + 6763 41 10.140000 20.691000 31.866000 434 R A 2 "ARG " " HA " 1 0 1 1 107.89 6763 + 6764 41 11.813000 21.437000 29.987000 434 R A 2 "ARG " " HB3" 1 0 1 1 103.55 6764 + 6765 41 10.424000 22.167000 29.225000 434 R A 2 "ARG " " HB2" 1 0 1 1 103.55 6765 + 6766 41 9.273000 19.836000 29.402000 434 R A 2 "ARG " " HG3" 1 0 1 1 100.3 6766 + 6767 41 10.779000 19.258000 30.047000 434 R A 2 "ARG " " HG2" 1 0 1 1 100.3 6767 + 6768 41 10.546000 20.570000 27.321000 434 R A 2 "ARG " " HD3" 1 0 1 1 103.23 6768 + 6769 41 10.393000 18.841000 27.545000 434 R A 2 "ARG " " HD2" 1 0 1 1 103.23 6769 + 6770 43 12.751000 20.487000 27.405000 434 R A 2 "ARG " " HE " 1 0 1 1 103.56 6770 + 6771 43 13.257000 16.827000 29.097000 434 R A 2 "ARG " "HH12" 1 0 1 1 95.87 6771 + 6772 43 11.644000 17.484000 28.985000 434 R A 2 "ARG " "HH11" 1 0 1 1 95.87 6772 + 6773 44 15.056000 18.022000 28.289000 434 R A 2 "ARG " "HH22" 1 0 1 1 104.37 6773 + 6774 44 14.820000 19.583000 27.543000 434 R A 2 "ARG " "HH21" 1 0 1 1 104.37 6774 + 6775 25 10.625000 23.974000 31.893000 435 I A 2 "ILE " " N " 7 0 1 1 97.76 6775 + 6776 3 11.236000 25.064000 32.674000 435 I A 2 "ILE " " CA " 6 0 1 1 95.64 6776 + 6777 2 10.958000 24.942000 34.186000 435 I A 2 "ILE " " C " 6 0 1 1 100.79 6777 + 6778 15 11.843000 25.240000 34.986000 435 I A 2 "ILE " " O " 8 0 1 1 106.79 6778 + 6779 3 10.781000 26.472000 32.178000 435 I A 2 "ILE " " CB " 6 0 1 1 86.08 6779 + 6780 3 11.367000 26.751000 30.785000 435 I A 2 "ILE " " CG1" 6 0 1 1 85.49 6780 + 6781 3 11.124000 27.647000 33.123000 435 I A 2 "ILE " " CG2" 6 0 1 1 76.21 6781 + 6782 3 10.762000 27.959000 30.073000 435 I A 2 "ILE " " CD1" 6 0 1 1 87.72 6782 + 6783 43 9.949000 24.246000 31.192000 435 I A 2 "ILE " " H " 1 0 1 1 97.76 6783 + 6784 41 12.317000 24.989000 32.537000 435 I A 2 "ILE " " HA " 1 0 1 1 95.64 6784 + 6785 41 9.696000 26.451000 32.076000 435 I A 2 "ILE " " HB " 1 0 1 1 86.08 6785 + 6786 41 11.199000 25.892000 30.146000 435 I A 2 "ILE " "HG13" 1 0 1 1 85.49 6786 + 6787 41 12.448000 26.873000 30.857000 435 I A 2 "ILE " "HG12" 1 0 1 1 85.49 6787 + 6788 41 10.849000 28.605000 32.686000 435 I A 2 "ILE " "HG21" 1 0 1 1 76.21 6788 + 6789 41 10.587000 27.591000 34.070000 435 I A 2 "ILE " "HG22" 1 0 1 1 76.21 6789 + 6790 41 12.191000 27.662000 33.342000 435 I A 2 "ILE " "HG23" 1 0 1 1 76.21 6790 + 6791 41 10.661000 27.737000 29.012000 435 I A 2 "ILE " "HD11" 1 0 1 1 87.72 6791 + 6792 41 9.773000 28.207000 30.458000 435 I A 2 "ILE " "HD12" 1 0 1 1 87.72 6792 + 6793 41 11.396000 28.841000 30.175000 435 I A 2 "ILE " "HD13" 1 0 1 1 87.72 6793 + 6794 25 9.754000 24.458000 34.528000 436 C A 2 "CYS " " N " 7 0 1 1 105.01 6794 + 6795 3 9.325000 24.148000 35.887000 436 C A 2 "CYS " " CA " 6 0 1 1 112.16 6795 + 6796 2 10.080000 22.926000 36.436000 436 C A 2 "CYS " " C " 6 0 1 1 114.87 6796 + 6797 15 10.845000 23.067000 37.390000 436 C A 2 "CYS " " O " 8 0 1 1 117.26 6797 + 6798 3 7.802000 23.907000 35.953000 436 C A 2 "CYS " " CB " 6 0 1 1 119.09 6798 + 6799 49 6.892000 25.406000 35.490000 436 C A 2 "CYS " " SG " 16 0 1 1 136.03 6799 + 6800 43 9.088000 24.250000 33.798000 436 C A 2 "CYS " " H " 1 0 1 1 105.01 6800 + 6801 41 9.565000 25.003000 36.524000 436 C A 2 "CYS " " HA " 1 0 1 1 112.16 6801 + 6802 41 7.498000 23.621000 36.961000 436 C A 2 "CYS " " HB3" 1 0 1 1 119.09 6802 + 6803 41 7.494000 23.103000 35.285000 436 C A 2 "CYS " " HB2" 1 0 1 1 119.09 6803 + 6804 41 7.207000 25.370000 34.190000 436 C A 2 "CYS " " HG " 1 0 1 1 136.03 6804 + 6805 25 9.836000 21.758000 35.814000 437 E A 2 "GLU " " N " 7 0 1 1 118.75 6805 + 6806 3 10.282000 20.433000 36.248000 437 E A 2 "GLU " " CA " 6 0 1 1 124.37 6806 + 6807 2 11.812000 20.256000 36.327000 437 E A 2 "GLU " " C " 6 0 1 1 124.6 6807 + 6808 15 12.277000 19.539000 37.213000 437 E A 2 "GLU " " O " 8 0 1 1 122.78 6808 + 6809 3 9.598000 19.387000 35.340000 437 E A 2 "GLU " " CB " 6 0 1 1 128.28 6809 + 6810 3 9.879000 17.910000 35.682000 437 E A 2 "GLU " " CG " 6 0 1 1 136.63 6810 + 6811 2 9.128000 16.955000 34.752000 437 E A 2 "GLU " " CD " 6 0 1 1 143.95 6811 + 6812 15 7.884000 17.066000 34.693000 437 E A 2 "GLU " " OE1" 8 0 1 1 144.27 6812 + 6813 18 9.813000 16.127000 34.113000 437 E A 2 "GLU " " OE2" 8 -1 1 1 147.57 6813 + 6814 43 9.221000 21.756000 35.011000 437 E A 2 "GLU " " H " 1 0 1 1 118.75 6814 + 6815 41 9.897000 20.291000 37.260000 437 E A 2 "GLU " " HA " 1 0 1 1 124.37 6815 + 6816 41 9.891000 19.571000 34.304000 437 E A 2 "GLU " " HB3" 1 0 1 1 128.28 6816 + 6817 41 8.520000 19.557000 35.375000 437 E A 2 "GLU " " HB2" 1 0 1 1 128.28 6817 + 6818 41 9.578000 17.699000 36.708000 437 E A 2 "GLU " " HG3" 1 0 1 1 136.63 6818 + 6819 41 10.946000 17.693000 35.615000 437 E A 2 "GLU " " HG2" 1 0 1 1 136.63 6819 + 6820 25 12.561000 20.916000 35.427000 438 L A 2 "LEU " " N " 7 0 1 1 126.3 6820 + 6821 3 14.023000 20.852000 35.382000 438 L A 2 "LEU " " CA " 6 0 1 1 125.74 6821 + 6822 2 14.710000 21.870000 36.313000 438 L A 2 "LEU " " C " 6 0 1 1 123.52 6822 + 6823 15 15.819000 21.575000 36.758000 438 L A 2 "LEU " " O " 8 0 1 1 127.09 6823 + 6824 3 14.519000 21.046000 33.931000 438 L A 2 "LEU " " CB " 6 0 1 1 128.28 6824 + 6825 3 14.196000 19.885000 32.970000 438 L A 2 "LEU " " CG " 6 0 1 1 126.84 6825 + 6826 3 14.406000 20.322000 31.513000 438 L A 2 "LEU " " CD1" 6 0 1 1 129.16 6826 + 6827 3 15.007000 18.616000 33.300000 438 L A 2 "LEU " " CD2" 6 0 1 1 126.51 6827 + 6828 43 12.113000 21.482000 34.717000 438 L A 2 "LEU " " H " 1 0 1 1 126.3 6828 + 6829 41 14.341000 19.863000 35.715000 438 L A 2 "LEU " " HA " 1 0 1 1 125.74 6829 + 6830 41 15.600000 21.197000 33.920000 438 L A 2 "LEU " " HB3" 1 0 1 1 128.28 6830 + 6831 41 14.097000 21.967000 33.539000 438 L A 2 "LEU " " HB2" 1 0 1 1 128.28 6831 + 6832 41 13.136000 19.647000 33.071000 438 L A 2 "LEU " " HG " 1 0 1 1 126.84 6832 + 6833 41 13.960000 19.609000 30.820000 438 L A 2 "LEU " "HD11" 1 0 1 1 129.16 6833 + 6834 41 13.953000 21.293000 31.316000 438 L A 2 "LEU " "HD12" 1 0 1 1 129.16 6834 + 6835 41 15.466000 20.405000 31.281000 438 L A 2 "LEU " "HD13" 1 0 1 1 129.16 6835 + 6836 41 15.539000 18.236000 32.429000 438 L A 2 "LEU " "HD21" 1 0 1 1 126.51 6836 + 6837 41 15.750000 18.788000 34.078000 438 L A 2 "LEU " "HD22" 1 0 1 1 126.51 6837 + 6838 41 14.350000 17.818000 33.648000 438 L A 2 "LEU " "HD23" 1 0 1 1 126.51 6838 + 6839 25 14.092000 23.039000 36.575000 439 L A 2 "LEU " " N " 7 0 0 1 116.14 6839 + 6840 3 14.733000 24.130000 37.319000 439 L A 2 "LEU " " CA " 6 0 0 1 114.6 6840 + 6841 2 13.712000 25.076000 37.996000 439 L A 2 "LEU " " C " 6 0 0 1 120.13 6841 + 6842 15 13.411000 26.130000 37.436000 439 L A 2 "LEU " " O " 8 0 0 1 116.41 6842 + 6843 3 15.818000 24.858000 36.468000 439 L A 2 "LEU " " CB " 6 0 0 1 104.37 6843 + 6844 3 15.412000 25.500000 35.111000 439 L A 2 "LEU " " CG " 6 0 0 1 92.62 6844 + 6845 3 16.426000 26.591000 34.710000 439 L A 2 "LEU " " CD1" 6 0 0 1 93 6845 + 6846 3 15.257000 24.464000 33.982000 439 L A 2 "LEU " " CD2" 6 0 0 1 87.84 6846 + 6847 43 13.172000 23.225000 36.200000 439 L A 2 "LEU " " H " 1 0 0 1 116.14 6847 + 6848 41 15.311000 23.679000 38.124000 439 L A 2 "LEU " " HA " 1 0 0 1 114.6 6848 + 6849 41 16.664000 24.189000 36.302000 439 L A 2 "LEU " " HB3" 1 0 0 1 104.37 6849 + 6850 41 16.219000 25.648000 37.105000 439 L A 2 "LEU " " HB2" 1 0 0 1 104.37 6850 + 6851 41 14.453000 26.004000 35.209000 439 L A 2 "LEU " " HG " 1 0 0 1 92.62 6851 + 6852 41 16.676000 26.584000 33.649000 439 L A 2 "LEU " "HD11" 1 0 0 1 93 6852 + 6853 41 16.031000 27.582000 34.932000 439 L A 2 "LEU " "HD12" 1 0 0 1 93 6853 + 6854 41 17.367000 26.475000 35.248000 439 L A 2 "LEU " "HD13" 1 0 0 1 93 6854 + 6855 41 15.584000 24.832000 33.009000 439 L A 2 "LEU " "HD21" 1 0 0 1 87.84 6855 + 6856 41 15.832000 23.562000 34.184000 439 L A 2 "LEU " "HD22" 1 0 0 1 87.84 6856 + 6857 41 14.211000 24.185000 33.869000 439 L A 2 "LEU " "HD23" 1 0 0 1 87.84 6857 + 6858 25 13.206000 24.731000 39.210000 440 P A 2 "PRO " " N " 7 0 0 1 125.9 6858 + 6859 3 12.302000 25.618000 39.975000 440 P A 2 "PRO " " CA " 6 0 0 1 124.94 6859 + 6860 2 12.953000 26.862000 40.560000 440 P A 2 "PRO " " C " 6 0 0 1 127.04 6860 + 6861 15 12.429000 27.552000 41.433000 440 P A 2 "PRO " " O " 8 0 0 1 127.56 6861 + 6862 3 11.720000 24.675000 41.048000 440 P A 2 "PRO " " CB " 6 0 0 1 122.7 6862 + 6863 3 12.839000 23.685000 41.321000 440 P A 2 "PRO " " CG " 6 0 0 1 125.49 6863 + 6864 3 13.463000 23.484000 39.943000 440 P A 2 "PRO " " CD " 6 0 0 1 125.36 6864 + 6865 41 11.481000 25.947000 39.334000 440 P A 2 "PRO " " HA " 1 0 0 1 124.94 6865 + 6866 41 13.932000 27.112000 40.150000 440 P A 2 "PRO " " HXT" 1 0 0 1 127.04 6866 + 6867 41 10.864000 24.140000 40.632000 440 P A 2 "PRO " " HB3" 1 0 0 1 122.7 6867 + 6868 41 11.371000 25.170000 41.956000 440 P A 2 "PRO " " HB2" 1 0 0 1 122.7 6868 + 6869 41 12.496000 22.756000 41.778000 440 P A 2 "PRO " " HG3" 1 0 0 1 125.49 6869 + 6870 41 13.570000 24.140000 41.992000 440 P A 2 "PRO " " HG2" 1 0 0 1 125.49 6870 + 6871 41 14.520000 23.243000 40.049000 440 P A 2 "PRO " " HD2" 1 0 0 1 125.36 6871 + 6872 41 12.974000 22.664000 39.414000 440 P A 2 "PRO " " HD3" 1 0 0 1 125.36 6872 + ::: + } + m_bond[6936] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 9 1 + 3 1 10 1 + 4 1 11 1 + 5 2 3 1 + 6 2 5 1 + 7 2 12 1 + 8 3 4 2 + 9 3 20 1 + 10 5 6 1 + 11 5 13 1 + 12 5 14 1 + 13 6 7 1 + 14 6 15 1 + 15 6 16 1 + 16 7 8 1 + 17 8 17 1 + 18 8 18 1 + 19 8 19 1 + 20 20 21 1 + 21 20 29 1 + 22 21 22 1 + 23 21 24 1 + 24 21 30 1 + 25 22 23 2 + 26 22 35 1 + 27 24 25 1 + 28 24 31 1 + 29 24 32 1 + 30 25 26 1 + 31 25 33 1 + 32 25 34 1 + 33 26 27 2 + 34 26 28 1 + 35 35 36 1 + 36 35 43 1 + 37 36 37 1 + 38 36 39 1 + 39 36 44 1 + 40 37 38 2 + 41 37 54 1 + 42 39 40 1 + 43 39 45 1 + 44 39 46 1 + 45 40 41 1 + 46 40 42 1 + 47 40 47 1 + 48 41 48 1 + 49 41 49 1 + 50 41 50 1 + 51 42 51 1 + 52 42 52 1 + 53 42 53 1 + 54 54 55 1 + 55 54 62 1 + 56 55 56 1 + 57 55 58 1 + 58 55 63 1 + 59 56 57 2 + 60 56 73 1 + 61 58 59 1 + 62 58 60 1 + 63 58 64 1 + 64 59 61 1 + 65 59 65 1 + 66 59 66 1 + 67 60 67 1 + 68 60 68 1 + 69 60 69 1 + 70 61 70 1 + 71 61 71 1 + 72 61 72 1 + 73 73 74 1 + 74 73 80 1 + 75 74 75 1 + 76 74 77 1 + 77 74 81 1 + 78 75 76 2 + 79 75 87 1 + 80 77 78 1 + 81 77 79 1 + 82 77 82 1 + 83 78 83 1 + 84 79 84 1 + 85 79 85 1 + 86 79 86 1 + 87 87 88 1 + 88 87 95 1 + 89 88 89 1 + 90 88 91 1 + 91 88 96 1 + 92 89 90 2 + 93 89 106 1 + 94 91 92 1 + 95 91 93 1 + 96 91 97 1 + 97 92 94 1 + 98 92 98 1 + 99 92 99 1 + 100 93 100 1 + 101 93 101 1 + 102 93 102 1 + 103 94 103 1 + 104 94 104 1 + 105 94 105 1 + 106 106 107 1 + 107 106 114 1 + 108 107 108 1 + 109 107 110 1 + 110 107 115 1 + 111 108 109 2 + 112 108 125 1 + 113 110 111 1 + 114 110 116 1 + 115 110 117 1 + 116 111 112 1 + 117 111 113 1 + 118 111 118 1 + 119 112 119 1 + 120 112 120 1 + 121 112 121 1 + 122 113 122 1 + 123 113 123 1 + 124 113 124 1 + 125 125 126 1 + 126 125 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6768 1 + 6830 6757 6769 1 + 6831 6758 6759 1 + 6832 6758 6770 1 + 6833 6759 6760 1 + 6834 6759 6761 2 + 6835 6760 6771 1 + 6836 6760 6772 1 + 6837 6761 6773 1 + 6838 6761 6774 1 + 6839 6775 6776 1 + 6840 6775 6783 1 + 6841 6776 6777 1 + 6842 6776 6779 1 + 6843 6776 6784 1 + 6844 6777 6778 2 + 6845 6777 6794 1 + 6846 6779 6780 1 + 6847 6779 6781 1 + 6848 6779 6785 1 + 6849 6780 6782 1 + 6850 6780 6786 1 + 6851 6780 6787 1 + 6852 6781 6788 1 + 6853 6781 6789 1 + 6854 6781 6790 1 + 6855 6782 6791 1 + 6856 6782 6792 1 + 6857 6782 6793 1 + 6858 6794 6795 1 + 6859 6794 6800 1 + 6860 6795 6796 1 + 6861 6795 6798 1 + 6862 6795 6801 1 + 6863 6796 6797 2 + 6864 6796 6805 1 + 6865 6798 6799 1 + 6866 6798 6802 1 + 6867 6798 6803 1 + 6868 6799 6804 1 + 6869 6805 6806 1 + 6870 6805 6814 1 + 6871 6806 6807 1 + 6872 6806 6809 1 + 6873 6806 6815 1 + 6874 6807 6808 2 + 6875 6807 6820 1 + 6876 6809 6810 1 + 6877 6809 6816 1 + 6878 6809 6817 1 + 6879 6810 6811 1 + 6880 6810 6818 1 + 6881 6810 6819 1 + 6882 6811 6812 2 + 6883 6811 6813 1 + 6884 6820 6821 1 + 6885 6820 6828 1 + 6886 6821 6822 1 + 6887 6821 6824 1 + 6888 6821 6829 1 + 6889 6822 6823 2 + 6890 6822 6839 1 + 6891 6824 6825 1 + 6892 6824 6830 1 + 6893 6824 6831 1 + 6894 6825 6826 1 + 6895 6825 6827 1 + 6896 6825 6832 1 + 6897 6826 6833 1 + 6898 6826 6834 1 + 6899 6826 6835 1 + 6900 6827 6836 1 + 6901 6827 6837 1 + 6902 6827 6838 1 + 6903 6839 6840 1 + 6904 6839 6847 1 + 6905 6840 6841 1 + 6906 6840 6843 1 + 6907 6840 6848 1 + 6908 6841 6842 2 + 6909 6841 6858 1 + 6910 6843 6844 1 + 6911 6843 6849 1 + 6912 6843 6850 1 + 6913 6844 6845 1 + 6914 6844 6846 1 + 6915 6844 6851 1 + 6916 6845 6852 1 + 6917 6845 6853 1 + 6918 6845 6854 1 + 6919 6846 6855 1 + 6920 6846 6856 1 + 6921 6846 6857 1 + 6922 6858 6859 1 + 6923 6858 6864 1 + 6924 6859 6860 1 + 6925 6859 6862 1 + 6926 6859 6865 1 + 6927 6860 6861 2 + 6928 6860 6866 1 + 6929 6862 6863 1 + 6930 6862 6867 1 + 6931 6862 6868 1 + 6932 6863 6864 1 + 6933 6863 6869 1 + 6934 6863 6870 1 + 6935 6864 6871 1 + 6936 6864 6872 1 + ::: + } +} diff --git a/test/MAE/h2o.mae b/test/MAE/h2o.mae new file mode 100644 --- /dev/null +++ b/test/MAE/h2o.mae @@ -0,0 +1,83 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_m_source_file_index + i_lp_mmshare_version + i_f3d_flags + r_f3d_energy + r_lp_tautomer_probability + r_mmod_Potential_Energy-OPLS-2005 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + i_m_ct_format + ::: + "" + 1 + 35015 + 0 + 0 + 1 + 2.57858908394118e-28 + 1 + 3.37511050929606e-06 + 1 + 0 + 1 + 1 + 1 + 2 + m_depend[9] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 10 r_lp_tautomer_probability + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 b_mmod_Minimization_Converged-OPLS-2005 + 4 20 r_mmod_RMS_Derivative-OPLS-2005 + 5 20 i_mmod_Times_Found-OPLS-2005 + 6 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 7 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 8 20 i_mmod_Conformation-OPLS-2005 + 9 10 i_mmod_Serial_Number-OPLS-2005 + ::: + } + m_atom[3] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + i_m_color + r_m_charge1 + r_m_charge2 + i_m_atomic_number + i_m_Hcount + ::: + 1 16 0.056727 0.167908 0.081376 900 70 -0.82000 -0.82000 8 2 + 2 42 0.933089 0.645508 0.143731 900 21 0.41000 0.41000 1 0 + 3 42 -0.294750 -0.005171 1.001434 900 21 0.41000 0.41000 1 0 + ::: + } + m_bond[2] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 3 1 + ::: + } +} diff --git a/test/MAE/schrod_test.mae b/test/MAE/schrod_test.mae new file mode 100644 --- /dev/null +++ b/test/MAE/schrod_test.mae @@ -0,0 +1,368 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + r_mmod_Potential_Energy-OPLS-2005 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + i_sd_Mol\_ID + s_sd_Formula + r_sd_MolWeight + i_sd_SchIID + s_sd_Source + i_sd_Source\_ID + s_sd_Chemical_Name + r_sd_pKa\_1 + i_sd_Temp\_1 + s_sd_Assessment\_1 + s_sd_Identifier\_1 + s_user_Data_Set + r_sd_pKa\_1a + r_sd_pKa\_1b + r_sd_pKa\_1c + s_m_entry_id + ::: + "Title with \p \\ \" space" + ligprep-out.1 + 11.5775423049927 + 1 + 0.000241500383708626 + 1 + 0 + 1 + 1 + 1 + 1 + CH2O2 + 46.02538 + 1 + SB79 + 2002 + "Methanoic Acid" + 3.749 + 25 + Rel. + carboxylicAcid_aliphatic + Acids + 3.737 + 3.739 + 3.772 + 1 + m_depend[8] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 20 r_mmod_Potential_Energy-OPLS-2005 + 2 20 b_mmod_Minimization_Converged-OPLS-2005 + 3 20 r_mmod_RMS_Derivative-OPLS-2005 + 4 20 i_mmod_Times_Found-OPLS-2005 + 5 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 6 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 7 20 i_mmod_Conformation-OPLS-2005 + 8 10 i_mmod_Serial_Number-OPLS-2005 + ::: + } + m_atom[5] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_atom_name + i_m_template_index + ::: + 1 2 1.322943 0.665651 0.033620 900 " " X " " 2 0.52000 0.52000 "UNK " " " " " 6 0 0 1 "Does \p \" \\this work" 0 + 2 15 2.383264 0.045183 0.036722 900 " " X " " 70 -0.44000 -0.44000 "UNK " " " " " 8 0 0 1 "" 0 + 3 16 0.088569 0.086898 0.011423 900 " " X " " 70 -0.53000 -0.53000 "UNK " " " " " 8 0 0 1 "" 0 + 4 41 1.200391 1.759715 0.047865 900 " " X " " 21 0.00000 0.00000 "UNK " " " " " 1 0 0 1 "" 0 + 5 42 -0.612341 0.720066 0.012557 900 " " X " " 21 0.45000 0.45000 "UNK " " " " " 1 0 0 1 "" <> + ::: + } + m_bond[8] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 2 2 1 1 + 2 1 3 1 1 1 + 3 1 4 1 1 1 + 4 2 1 2 1 1 + 5 3 1 1 1 1 + 6 3 5 1 1 1 + 7 4 1 1 1 1 + 8 5 3 1 1 1 + ::: + } +} + +f_m_ct { + s_m_title + s_m_entry_name + r_mmod_Potential_Energy-OPLS-2005 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + i_sd_Mol\_ID + s_sd_Formula + r_sd_MolWeight + i_sd_SchIID + s_sd_Source + i_sd_Source\_ID + s_sd_Chemical_Name + r_sd_pKa\_1 + i_sd_Temp\_1 + s_sd_Assessment\_1 + s_sd_Identifier\_1 + s_user_Data_Set + s_m_entry_id + ::: + 2:Acids + ligprep-out.2 + 1.90448498725891 + 0 + 10.1268978118896 + 1 + 0 + 1 + 1 + 2 + 2 + CH2N2O4 + 106.03758 + 2 + SB79 + 2008 + "Methane, dinitro-" + 3.57 + 25 + Approx. + methane_nitro_nitro + Acids + 2 + m_depend[8] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 20 r_mmod_Potential_Energy-OPLS-2005 + 2 20 b_mmod_Minimization_Converged-OPLS-2005 + 3 20 r_mmod_RMS_Derivative-OPLS-2005 + 4 20 i_mmod_Times_Found-OPLS-2005 + 5 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 6 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 7 20 i_mmod_Conformation-OPLS-2005 + 8 10 i_mmod_Serial_Number-OPLS-2005 + ::: + } + m_atom[9] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_atom_name + i_m_template_index + ::: + 1 3 2.454867 -0.068087 0.028385 900 " " X " " 2 0.28000 0.28000 "UNK " " " " " 6 0 0 1 "" 0 + 2 31 3.682039 0.774771 -0.121640 900 " " X " " 43 0.54000 0.54000 "UNK " " " " " 7 1 0 1 "" 0 + 3 15 3.664435 1.669564 -0.966160 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 0 0 1 "" 0 + 4 18 4.640647 0.508696 0.600789 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 -1 0 1 "" 0 + 5 31 1.220234 0.767491 0.155745 900 " " X " " 43 0.54000 0.54000 "UNK " " " " " 7 1 0 1 "" 0 + 6 15 1.203396 1.634407 1.028171 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 0 0 1 "" 0 + 7 18 0.292550 0.524092 -0.612877 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 -1 0 1 "" 0 + 8 41 2.368701 -0.700720 -0.855635 900 " " X " " 21 0.06000 0.06000 "UNK " " " " " 1 0 0 1 "" 0 + 9 41 2.546380 -0.674243 0.930770 900 " " X " " 21 0.06000 0.06000 "UNK " " " " " 1 0 0 1 "" 0 + ::: + } + m_bond[16] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 2 1 1 1 + 2 1 5 1 1 1 + 3 1 8 1 1 1 + 4 1 9 1 1 1 + 5 2 1 1 1 1 + 6 2 3 2 1 1 + 7 2 4 1 1 1 + 8 3 2 2 1 1 + 9 4 2 1 1 1 + 10 5 1 1 1 1 + 11 5 6 2 1 1 + 12 5 7 1 1 1 + 13 6 5 2 1 1 + 14 7 5 1 1 1 + 15 8 1 1 1 1 + 16 9 1 1 1 1 + ::: + } +} + +f_m_ct { + s_m_title + s_m_entry_name + r_mmod_Potential_Energy-OPLS-2005 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + i_sd_Mol\_ID + s_sd_Formula + r_sd_MolWeight + i_sd_SchIID + s_sd_Source + i_sd_Source\_ID + s_sd_Chemical_Name + r_sd_pKa\_1 + i_sd_Temp\_1 + s_sd_Assessment\_1 + s_sd_Identifier\_1 + s_user_Data_Set + s_m_entry_id + ::: + 3:Acids + ligprep-out.3 + 0.36353063583374 + 0 + 0.394437789916992 + 1 + 0 + 1 + 1 + 3 + 3 + CH3NO2 + 61.04002 + 3 + SB79 + 2009 + "Methane, nitro-" + 10.24 + 25 + Approx. + methane_nitro + Acids + 3 + m_depend[8] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 20 r_mmod_Potential_Energy-OPLS-2005 + 2 20 b_mmod_Minimization_Converged-OPLS-2005 + 3 20 r_mmod_RMS_Derivative-OPLS-2005 + 4 20 i_mmod_Times_Found-OPLS-2005 + 5 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 6 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 7 20 i_mmod_Conformation-OPLS-2005 + 8 10 i_mmod_Serial_Number-OPLS-2005 + ::: + } + m_atom[7] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_atom_name + i_m_template_index + ::: + 1 3 2.130632 2.462572 0.019139 900 " " X " " 2 0.02000 0.02000 "UNK " " " " " 6 0 0 1 "" 0 + 2 31 1.375937 1.174885 0.028298 900 " " X " " 43 0.54000 0.54000 "UNK " " " " " 7 1 0 1 "" 0 + 3 15 2.019597 0.136895 -0.075313 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 0 0 1 "" 0 + 4 18 0.156828 1.237457 0.136330 900 " " X " " 70 -0.37000 -0.37000 "UNK " " " " " 8 -1 0 1 "" 0 + 5 41 3.196829 2.244744 0.089627 900 " " X " " 21 0.06000 0.06000 "UNK " " " " " 1 0 0 1 "" 0 + 6 41 1.902515 2.975416 -0.915329 900 " " X " " 21 0.06000 0.06000 "UNK " " " " " 1 0 0 1 "" 0 + 7 41 1.801453 3.051384 0.875647 900 " " X " " 21 0.06000 0.06000 "UNK " " " " " 1 0 0 1 "" 0 + ::: + } + m_bond[12] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 2 1 1 1 + 2 1 5 1 1 1 + 3 1 6 1 1 1 + 4 1 7 1 1 1 + 5 2 1 1 1 1 + 6 2 3 2 1 1 + 7 2 4 1 1 1 + 8 3 2 2 1 1 + 9 4 2 1 1 1 + 10 5 1 1 1 1 + 11 6 1 1 1 1 + 12 7 1 1 1 1 + ::: + } +} diff --git a/test/MAE/small.mae b/test/MAE/small.mae new file mode 100644 --- /dev/null +++ b/test/MAE/small.mae @@ -0,0 +1,452 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_pdb_PDB_Model + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 1 + 3.0 + /Users/ramso/Yandex.Disk.localized/Work/biocad/protein-protein-docking-benchmark/dataset/rigid/1AHW_A/cap/1AHW_r_b.pdb + 1 + 2 + m_atom[202] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + i_pdb_PDB_serial + r_m_pdb_tfactor + ::: + 1 3 -8.785000 6.922000 45.212000 0 " " X A 2 "ACE " " CH3" 6 0 0 1 1 <> + 2 2 -8.708000 7.238000 46.706000 0 " " X A 2 "ACE " " C " 6 0 0 1 2 <> + 3 15 -8.867000 6.339000 47.528000 0 " " X A 2 "ACE " " O " 8 0 0 1 3 <> + 4 41 -8.989000 5.837000 45.073000 0 " " X A 2 "ACE " "1H " 1 0 0 1 4 <> + 5 41 -9.600000 7.518000 44.746000 0 " " X A 2 "ACE " "2H " 1 0 0 1 5 <> + 6 41 -7.819000 7.185000 44.725000 0 " " X A 2 "ACE " "3H " 1 0 0 1 6 <> + 7 25 -8.462000 8.528000 47.131000 1 " " D A 2 "ASP " " N " 7 0 0 1 7 30.31 + 8 3 -8.388000 8.833000 48.602000 1 " " D A 2 "ASP " " CA " 6 0 0 1 8 30.31 + 9 2 -7.004000 8.319000 49.088000 1 " " D A 2 "ASP " " C " 6 0 0 1 9 30.31 + 10 15 -6.337000 9.034000 49.834000 1 " " D A 2 "ASP " " O " 8 0 0 1 10 81.66 + 11 3 -9.589000 8.274000 49.414000 1 " " D A 2 "ASP " " CB " 6 0 0 1 11 81.66 + 12 2 -9.666000 6.743000 49.521000 1 " " D A 2 "ASP " " CG " 6 0 0 1 12 81.66 + 13 15 -9.431000 6.239000 50.639000 1 " " D A 2 "ASP " " OD1" 8 0 0 1 13 81.66 + 14 18 -9.915000 6.116000 48.471000 1 " " D A 2 "ASP " " OD2" 8 -1 0 1 14 81.66 + 15 43 -8.331000 9.267000 46.455000 1 " " D A 2 "ASP " " H2 " 1 0 0 1 15 30.31 + 16 41 -8.402000 9.923000 48.627000 1 " " D A 2 "ASP " " HA " 1 0 0 1 16 30.31 + 17 41 -10.536000 8.640000 49.016000 1 " " D A 2 "ASP " " HB3" 1 0 0 1 17 81.66 + 18 41 -9.550000 8.675000 50.429000 1 " " D A 2 "ASP " " HB2" 1 0 0 1 18 81.66 + 19 25 -6.634000 7.082000 48.706000 2 " " I A 2 "ILE " " N " 7 0 0 1 19 17.24 + 20 3 -5.404000 6.383000 49.057000 2 " " I A 2 "ILE " " CA " 6 0 0 1 20 17.24 + 21 2 -4.271000 6.810000 48.106000 2 " " I A 2 "ILE " " C " 6 0 0 1 21 17.24 + 22 15 -4.192000 6.331000 46.975000 2 " " I A 2 "ILE " " O " 8 0 0 1 22 25.27 + 23 3 -5.623000 4.830000 49.077000 2 " " I A 2 "ILE " " CB " 6 0 0 1 23 25.27 + 24 3 -4.350000 3.942000 49.054000 2 " " I A 2 "ILE " " CG1" 6 0 0 1 24 25.27 + 25 3 -6.594000 4.327000 47.986000 2 " " I A 2 "ILE " " CG2" 6 0 0 1 25 25.27 + 26 3 -3.237000 4.330000 50.036000 2 " " I A 2 "ILE " " CD1" 6 0 0 1 26 25.27 + 27 43 -7.275000 6.532000 48.152000 2 " " I A 2 "ILE " " H " 1 0 0 1 27 17.24 + 28 41 -5.134000 6.683000 50.072000 2 " " I A 2 "ILE " " HA " 1 0 0 1 28 17.24 + 29 41 -6.107000 4.615000 50.031000 2 " " I A 2 "ILE " " HB " 1 0 0 1 29 25.27 + 30 41 -3.935000 3.916000 48.046000 2 " " I A 2 "ILE " "HG13" 1 0 0 1 30 25.27 + 31 41 -4.644000 2.913000 49.263000 2 " " I A 2 "ILE " "HG12" 1 0 0 1 31 25.27 + 32 41 -6.710000 3.244000 48.037000 2 " " I A 2 "ILE " "HG21" 1 0 0 1 32 25.27 + 33 41 -7.595000 4.742000 48.101000 2 " " I A 2 "ILE " "HG22" 1 0 0 1 33 25.27 + 34 41 -6.241000 4.577000 46.986000 2 " " I A 2 "ILE " "HG23" 1 0 0 1 34 25.27 + 35 41 -2.941000 3.477000 50.646000 2 " " I A 2 "ILE " "HD11" 1 0 0 1 35 25.27 + 36 41 -2.354000 4.673000 49.498000 2 " " I A 2 "ILE " "HD12" 1 0 0 1 36 25.27 + 37 41 -3.542000 5.125000 50.710000 2 " " I A 2 "ILE " "HD13" 1 0 0 1 37 25.27 + 38 25 -3.444000 7.750000 48.589000 3 " " K A 2 "LYS " " N " 7 0 0 1 38 34.64 + 39 3 -2.336000 8.349000 47.850000 3 " " K A 2 "LYS " " CA " 6 0 0 1 39 34.64 + 40 2 -1.127000 7.408000 47.751000 3 " " K A 2 "LYS " " C " 6 0 0 1 40 34.64 + 41 15 -0.731000 6.818000 48.755000 3 " " K A 2 "LYS " " O " 8 0 0 1 41 69.34 + 42 3 -1.974000 9.706000 48.503000 3 " " K A 2 "LYS " " CB " 6 0 0 1 42 69.34 + 43 3 -0.665000 10.349000 47.988000 3 " " K A 2 "LYS " " CG " 6 0 0 1 43 69.34 + 44 3 -0.475000 11.818000 48.390000 3 " " K A 2 "LYS " " CD " 6 0 0 1 44 69.34 + 45 3 -1.315000 12.784000 47.541000 3 " " K A 2 "LYS " " CE " 6 0 0 1 45 69.34 + 46 32 -1.050000 14.186000 47.903000 3 " " K A 2 "LYS " " NZ " 7 1 0 1 46 69.34 + 47 43 -3.565000 8.072000 49.540000 3 " " K A 2 "LYS " " H " 1 0 0 1 47 34.64 + 48 41 -2.692000 8.558000 46.839000 3 " " K A 2 "LYS " " HA " 1 0 0 1 48 34.64 + 49 41 -1.882000 9.581000 49.583000 3 " " K A 2 "LYS " " HB3" 1 0 0 1 49 69.34 + 50 41 -2.810000 10.388000 48.353000 3 " " K A 2 "LYS " " HB2" 1 0 0 1 50 69.34 + 51 41 -0.610000 10.265000 46.901000 3 " " K A 2 "LYS " " HG3" 1 0 0 1 51 69.34 + 52 41 0.184000 9.784000 48.375000 3 " " K A 2 "LYS " " HG2" 1 0 0 1 52 69.34 + 53 41 0.582000 12.073000 48.302000 3 " " K A 2 "LYS " " HD3" 1 0 0 1 53 69.34 + 54 41 -0.729000 11.939000 49.444000 3 " " K A 2 "LYS " " HD2" 1 0 0 1 54 69.34 + 55 41 -2.380000 12.585000 47.665000 3 " " K A 2 "LYS " " HE3" 1 0 0 1 55 69.34 + 56 41 -1.084000 12.653000 46.483000 3 " " K A 2 "LYS " " HE2" 1 0 0 1 56 69.34 + 57 44 -1.609000 14.795000 47.322000 3 " " K A 2 "LYS " " HZ1" 1 0 0 1 57 69.34 + 58 44 -1.289000 14.335000 48.873000 3 " " K A 2 "LYS " " HZ2" 1 0 0 1 58 69.34 + 59 44 -0.072000 14.393000 47.762000 3 " " K A 2 "LYS " " HZ3" 1 0 0 1 59 69.34 + 3410 25 -8.382000 11.633000 16.946000 10 " " E B 2 "GLU " " N " 7 0 2 1 3411 8.93 + 3411 3 -9.715000 12.157000 17.191000 10 " " E B 2 "GLU " " CA " 6 0 2 1 3412 8.93 + 3412 2 -9.590000 13.665000 17.450000 10 " " E B 2 "GLU " " C " 6 0 2 1 3413 8.93 + 3413 15 -9.030000 14.054000 18.475000 10 " " E B 2 "GLU " " O " 8 0 2 1 3414 30.2 + 3414 3 -10.323000 11.388000 18.396000 10 " " E B 2 "GLU " " CB " 6 0 2 1 3415 30.2 + 3415 3 -11.833000 11.576000 18.604000 10 " " E B 2 "GLU " " CG " 6 0 2 1 3416 30.2 + 3416 2 -12.658000 10.923000 17.495000 10 " " E B 2 "GLU " " CD " 6 0 2 1 3417 30.2 + 3417 15 -12.525000 9.689000 17.338000 10 " " E B 2 "GLU " " OE1" 8 0 2 1 3418 30.2 + 3418 18 -13.405000 11.669000 16.827000 10 " " E B 2 "GLU " " OE2" 8 -1 2 1 3419 30.2 + 3419 43 -7.615000 12.187000 17.300000 10 " " E B 2 "GLU " " H " 1 0 2 1 3420 8.93 + 3420 41 -10.322000 11.996000 16.297000 10 " " E B 2 "GLU " " HA " 1 0 2 1 3421 8.93 + 3421 41 -9.798000 11.676000 19.305000 10 " " E B 2 "GLU " " HB3" 1 0 2 1 3422 30.2 + 3422 41 -10.128000 10.318000 18.313000 10 " " E B 2 "GLU " " HB2" 1 0 2 1 3423 30.2 + 3423 41 -12.084000 12.633000 18.684000 10 " " E B 2 "GLU " " HG3" 1 0 2 1 3424 30.2 + 3424 41 -12.123000 11.111000 19.544000 10 " " E B 2 "GLU " " HG2" 1 0 2 1 3425 30.2 + 3425 25 -10.112000 14.485000 16.523000 11 " " L B 2 "LEU " " N " 7 0 2 1 3426 25.49 + 3426 3 -10.244000 15.932000 16.697000 11 " " L B 2 "LEU " " CA " 6 0 2 1 3427 25.49 + 3427 2 -11.690000 16.234000 17.100000 11 " " L B 2 "LEU " " C " 6 0 2 1 3428 25.49 + 3428 15 -12.606000 15.746000 16.438000 11 " " L B 2 "LEU " " O " 8 0 2 1 3429 2.48 + 3429 3 -9.887000 16.655000 15.380000 11 " " L B 2 "LEU " " CB " 6 0 2 1 3430 2.48 + 3430 3 -9.805000 18.197000 15.487000 11 " " L B 2 "LEU " " CG " 6 0 2 1 3431 2.48 + 3431 3 -8.751000 18.692000 16.499000 11 " " L B 2 "LEU " " CD1" 6 0 2 1 3432 2.48 + 3432 3 -9.570000 18.799000 14.097000 11 " " L B 2 "LEU " " CD2" 6 0 2 1 3433 2.48 + 3433 43 -10.561000 14.095000 15.707000 11 " " L B 2 "LEU " " H " 1 0 2 1 3434 25.49 + 3434 41 -9.569000 16.272000 17.480000 11 " " L B 2 "LEU " " HA " 1 0 2 1 3435 25.49 + 3435 41 -10.625000 16.392000 14.620000 11 " " L B 2 "LEU " " HB3" 1 0 2 1 3436 2.48 + 3436 41 -8.949000 16.268000 14.994000 11 " " L B 2 "LEU " " HB2" 1 0 2 1 3437 2.48 + 3437 41 -10.774000 18.568000 15.821000 11 " " L B 2 "LEU " " HG " 1 0 2 1 3438 2.48 + 3438 41 -8.108000 19.459000 16.074000 11 " " L B 2 "LEU " "HD11" 1 0 2 1 3439 2.48 + 3439 41 -9.229000 19.121000 17.381000 11 " " L B 2 "LEU " "HD12" 1 0 2 1 3440 2.48 + 3440 41 -8.097000 17.891000 16.838000 11 " " L B 2 "LEU " "HD13" 1 0 2 1 3441 2.48 + 3441 41 -9.535000 19.882000 14.128000 11 " " L B 2 "LEU " "HD21" 1 0 2 1 3442 2.48 + 3442 41 -8.631000 18.457000 13.667000 11 " " L B 2 "LEU " "HD22" 1 0 2 1 3443 2.48 + 3443 41 -10.369000 18.519000 13.410000 11 " " L B 2 "LEU " "HD23" 1 0 2 1 3444 2.48 + 3444 25 -11.870000 17.033000 18.161000 12 " " V B 2 "VAL " " N " 7 0 2 1 3445 19.02 + 3445 3 -13.194000 17.379000 18.677000 12 " " V B 2 "VAL " " CA " 6 0 2 1 3446 19.02 + 3446 2 -13.223000 18.870000 19.041000 12 " " V B 2 "VAL " " C " 6 0 2 1 3447 19.02 + 3447 15 -12.222000 19.413000 19.501000 12 " " V B 2 "VAL " " O " 8 0 2 1 3448 8.79 + 3448 3 -13.566000 16.559000 19.947000 12 " " V B 2 "VAL " " CB " 6 0 2 1 3449 8.79 + 3449 3 -15.045000 16.737000 20.344000 12 " " V B 2 "VAL " " CG1" 6 0 2 1 3450 8.79 + 3450 3 -13.282000 15.059000 19.792000 12 " " V B 2 "VAL " " CG2" 6 0 2 1 3451 8.79 + 3451 43 -11.075000 17.398000 18.671000 12 " " V B 2 "VAL " " H " 1 0 2 1 3452 19.02 + 3452 41 -13.954000 17.214000 17.912000 12 " " V B 2 "VAL " " HA " 1 0 2 1 3453 19.02 + 3453 41 -12.955000 16.903000 20.785000 12 " " V B 2 "VAL " " HB " 1 0 2 1 3454 8.79 + 3454 41 -15.334000 16.044000 21.132000 12 " " V B 2 "VAL " "HG11" 1 0 2 1 3455 8.79 + 3455 41 -15.240000 17.737000 20.723000 12 " " V B 2 "VAL " "HG12" 1 0 2 1 3456 8.79 + 3456 41 -15.710000 16.559000 19.499000 12 " " V B 2 "VAL " "HG13" 1 0 2 1 3457 8.79 + 3457 41 -13.532000 14.531000 20.708000 12 " " V B 2 "VAL " "HG21" 1 0 2 1 3458 8.79 + 3458 41 -13.860000 14.619000 18.978000 12 " " V B 2 "VAL " "HG22" 1 0 2 1 3459 8.79 + 3459 41 -12.228000 14.865000 19.600000 12 " " V B 2 "VAL " "HG23" 1 0 2 1 3460 8.79 + 3460 25 -14.381000 19.505000 18.826000 13 " " R B 2 "ARG " " N " 7 0 0 1 3461 16.62 + 3461 3 -14.617000 20.911000 19.145000 13 " " R B 2 "ARG " " CA " 6 0 0 1 3462 16.62 + 3462 2 -14.974000 21.068000 20.640000 13 " " R B 2 "ARG " " C " 6 0 0 1 3463 16.62 + 3463 15 -15.706000 20.226000 21.159000 13 " " R B 2 "ARG " " O " 8 0 0 1 3464 59.42 + 3464 3 -15.741000 21.435000 18.221000 13 " " R B 2 "ARG " " CB " 6 0 0 1 3465 59.42 + 3465 3 -15.491000 21.165000 16.719000 13 " " R B 2 "ARG " " CG " 6 0 0 1 3466 59.42 + 3466 3 -14.313000 21.961000 16.133000 13 " " R B 2 "ARG " " CD " 6 0 0 1 3467 59.42 + 3467 25 -13.880000 21.431000 14.832000 13 " " R B 2 "ARG " " NE " 7 0 0 1 3468 59.42 + 3468 2 -12.617000 21.138000 14.473000 13 " " R B 2 "ARG " " CZ " 6 0 0 1 3469 59.42 + 3469 25 -11.585000 21.289000 15.312000 13 " " R B 2 "ARG " " NH1" 7 0 0 1 3470 59.42 + 3470 31 -12.378000 20.681000 13.240000 13 " " R B 2 "ARG " " NH2" 7 1 0 1 3471 59.42 + 3471 43 -15.171000 18.993000 18.461000 13 " " R B 2 "ARG " " H " 1 0 0 1 3472 16.62 + 3472 41 -13.699000 21.450000 18.925000 13 " " R B 2 "ARG " " HA " 1 0 0 1 3473 16.62 + 3473 41 -15.879000 22.504000 18.384000 13 " " R B 2 "ARG " " HB3" 1 0 0 1 3474 59.42 + 3474 41 -16.685000 20.963000 18.499000 13 " " R B 2 "ARG " " HB2" 1 0 0 1 3475 59.42 + 3475 41 -16.392000 21.515000 16.213000 13 " " R B 2 "ARG " " HG3" 1 0 0 1 3476 59.42 + 3476 41 -15.418000 20.104000 16.480000 13 " " R B 2 "ARG " " HG2" 1 0 0 1 3477 59.42 + 3477 41 -13.507000 22.103000 16.843000 13 " " R B 2 "ARG " " HD3" 1 0 0 1 3478 59.42 + 3478 41 -14.668000 22.963000 15.890000 13 " " R B 2 "ARG " " HD2" 1 0 0 1 3479 59.42 + 3479 43 -14.611000 21.315000 14.145000 13 " " R B 2 "ARG " " HE " 1 0 0 1 3480 59.42 + 3480 43 -10.636000 21.144000 14.995000 13 " " R B 2 "ARG " "HH12" 1 0 0 1 3481 59.42 + 3481 43 -11.735000 21.588000 16.268000 13 " " R B 2 "ARG " "HH11" 1 0 0 1 3482 59.42 + 3482 44 -11.439000 20.434000 12.967000 13 " " R B 2 "ARG " "HH22" 1 0 0 1 3483 59.42 + 3483 44 -13.136000 20.553000 12.584000 13 " " R B 2 "ARG " "HH21" 1 0 0 1 3484 59.42 + 3484 25 -14.446000 22.113000 21.321000 13 "A" P B 2 "PRO " " N " 7 0 0 1 3485 15.3 + 3485 3 -14.707000 22.340000 22.757000 13 "A" P B 2 "PRO " " CA " 6 0 0 1 3486 15.3 + 3486 2 -16.199000 22.552000 23.078000 13 "A" P B 2 "PRO " " C " 6 0 0 1 3487 15.3 + 3487 15 -16.896000 23.250000 22.342000 13 "A" P B 2 "PRO " " O " 8 0 0 1 3488 8.93 + 3488 3 -13.856000 23.575000 23.097000 13 "A" P B 2 "PRO " " CB " 6 0 0 1 3489 8.93 + 3489 3 -13.694000 24.312000 21.779000 13 "A" P B 2 "PRO " " CG " 6 0 0 1 3490 8.93 + 3490 3 -13.610000 23.179000 20.765000 13 "A" P B 2 "PRO " " CD " 6 0 0 1 3491 8.93 + 3491 41 -14.344000 21.483000 23.329000 13 "A" P B 2 "PRO " " HA " 1 0 0 1 3492 15.3 + 3492 41 -12.879000 23.249000 23.458000 13 "A" P B 2 "PRO " " HB3" 1 0 0 1 3493 8.93 + 3493 41 -14.289000 24.206000 23.874000 13 "A" P B 2 "PRO " " HB2" 1 0 0 1 3494 8.93 + 3494 41 -12.831000 24.978000 21.756000 13 "A" P B 2 "PRO " " HG3" 1 0 0 1 3495 8.93 + 3495 41 -14.586000 24.909000 21.584000 13 "A" P B 2 "PRO " " HG2" 1 0 0 1 3496 8.93 + 3496 41 -13.931000 23.521000 19.781000 13 "A" P B 2 "PRO " " HD2" 1 0 0 1 3497 8.93 + 3497 41 -12.587000 22.809000 20.691000 13 "A" P B 2 "PRO " " HD3" 1 0 0 1 3498 8.93 + 3498 25 -16.649000 21.902000 24.160000 15 " " G B 2 "GLY " " N " 7 0 0 1 3499 21.1 + 3499 3 -18.027000 21.912000 24.642000 15 " " G B 2 "GLY " " CA " 6 0 0 1 3500 21.1 + 3500 2 -18.807000 20.687000 24.144000 15 " " G B 2 "GLY " " C " 6 0 0 1 3501 21.1 + 3501 15 -19.732000 20.258000 24.832000 15 " " G B 2 "GLY " " O " 8 0 0 1 3502 42.98 + 3502 43 -15.986000 21.381000 24.719000 15 " " G B 2 "GLY " " H " 1 0 0 1 3503 21.1 + 3503 41 -18.550000 22.822000 24.344000 15 " " G B 2 "GLY " " HA3" 1 0 0 1 3504 21.1 + 3504 41 -18.006000 21.902000 25.733000 15 " " G B 2 "GLY " " HA2" 1 0 0 1 3505 21.1 + 3505 25 -18.426000 20.096000 22.994000 16 " " A B 2 "ALA " " N " 7 0 0 1 3506 29.24 + 3506 3 -18.998000 18.849000 22.478000 16 " " A B 2 "ALA " " CA " 6 0 0 1 3507 29.24 + 3507 2 -18.601000 17.640000 23.342000 16 " " A B 2 "ALA " " C " 6 0 0 1 3508 29.24 + 3508 15 -17.679000 17.740000 24.152000 16 " " A B 2 "ALA " " O " 8 0 0 1 3509 50.96 + 3509 3 -18.540000 18.647000 21.024000 16 " " A B 2 "ALA " " CB " 6 0 0 1 3510 50.96 + 3510 43 -17.647000 20.476000 22.475000 16 " " A B 2 "ALA " " H " 1 0 0 1 3511 29.24 + 3511 41 -20.086000 18.944000 22.489000 16 " " A B 2 "ALA " " HA " 1 0 0 1 3512 29.24 + 3512 41 -19.094000 17.837000 20.547000 16 " " A B 2 "ALA " " HB1" 1 0 0 1 3513 50.96 + 3513 41 -18.701000 19.546000 20.427000 16 " " A B 2 "ALA " " HB2" 1 0 0 1 3514 50.96 + 3514 41 -17.484000 18.391000 20.967000 16 " " A B 2 "ALA " " HB3" 1 0 0 1 3515 50.96 + 3515 25 -19.302000 16.516000 23.138000 17 " " L B 2 "LEU " " N " 7 0 0 1 3516 10.06 + 3516 3 -18.965000 15.225000 23.735000 17 " " L B 2 "LEU " " CA " 6 0 0 1 3517 10.06 + 3517 2 -18.448000 14.286000 22.638000 17 " " L B 2 "LEU " " C " 6 0 0 1 3518 10.06 + 3518 15 -18.788000 14.445000 21.465000 17 " " L B 2 "LEU " " O " 8 0 0 1 3519 34.98 + 3519 3 -20.175000 14.696000 24.553000 17 " " L B 2 "LEU " " CB " 6 0 0 1 3520 34.98 + 3520 3 -21.379000 14.086000 23.801000 17 " " L B 2 "LEU " " CG " 6 0 0 1 3521 34.98 + 3521 3 -21.112000 12.659000 23.268000 17 " " L B 2 "LEU " " CD1" 6 0 0 1 3522 34.98 + 3522 3 -22.604000 14.084000 24.733000 17 " " L B 2 "LEU " " CD2" 6 0 0 1 3523 34.98 + 3523 43 -20.040000 16.503000 22.449000 17 " " L B 2 "LEU " " H " 1 0 0 1 3524 10.06 + 3524 41 -18.144000 15.353000 24.442000 17 " " L B 2 "LEU " " HA " 1 0 0 1 3525 10.06 + 3525 41 -20.527000 15.524000 25.171000 17 " " L B 2 "LEU " " HB3" 1 0 0 1 3526 34.98 + 3526 41 -19.841000 13.951000 25.268000 17 " " L B 2 "LEU " " HB2" 1 0 0 1 3527 34.98 + 3527 41 -21.620000 14.727000 22.952000 17 " " L B 2 "LEU " " HG " 1 0 0 1 3528 34.98 + 3528 41 -21.896000 11.955000 23.548000 17 " " L B 2 "LEU " "HD11" 1 0 0 1 3529 34.98 + 3529 41 -21.053000 12.656000 22.180000 17 " " L B 2 "LEU " "HD12" 1 0 0 1 3530 34.98 + 3530 41 -20.178000 12.246000 23.648000 17 " " L B 2 "LEU " "HD13" 1 0 0 1 3531 34.98 + 3531 41 -23.404000 13.447000 24.354000 17 " " L B 2 "LEU " "HD21" 1 0 0 1 3532 34.98 + 3532 41 -22.346000 13.734000 25.734000 17 " " L B 2 "LEU " "HD22" 1 0 0 1 3533 34.98 + 3533 41 -23.015000 15.088000 24.831000 17 " " L B 2 "LEU " "HD23" 1 0 0 1 3534 34.98 + 3534 25 -17.625000 13.322000 23.061000 18 " " V B 2 "VAL " " N " 7 0 2 1 3535 14.24 + 3535 3 -16.968000 12.350000 22.196000 18 " " V B 2 "VAL " " CA " 6 0 2 1 3536 14.24 + 3536 2 -16.978000 10.984000 22.885000 18 " " V B 2 "VAL " " C " 6 0 2 1 3537 14.24 + 3537 15 -16.782000 10.924000 24.095000 18 " " V B 2 "VAL " " O " 8 0 2 1 3538 21.02 + 3538 3 -15.504000 12.776000 21.901000 18 " " V B 2 "VAL " " CB " 6 0 2 1 3539 21.02 + 3539 3 -14.637000 12.974000 23.163000 18 " " V B 2 "VAL " " CG1" 6 0 2 1 3540 21.02 + 3540 3 -14.793000 11.832000 20.912000 18 " " V B 2 "VAL " " CG2" 6 0 2 1 3541 21.02 + 3541 43 -17.420000 13.236000 24.048000 18 " " V B 2 "VAL " " H " 1 0 2 1 3542 14.24 + 3542 41 -17.512000 12.262000 21.253000 18 " " V B 2 "VAL " " HA " 1 0 2 1 3543 14.24 + 3543 41 -15.575000 13.746000 21.412000 18 " " V B 2 "VAL " " HB " 1 0 2 1 3544 21.02 + 3544 41 -13.721000 13.509000 22.925000 18 " " V B 2 "VAL " "HG11" 1 0 2 1 3545 21.02 + 3545 41 -15.148000 13.566000 23.922000 18 " " V B 2 "VAL " "HG12" 1 0 2 1 3546 21.02 + 3546 41 -14.353000 12.025000 23.619000 18 " " V B 2 "VAL " "HG13" 1 0 2 1 3547 21.02 + 3547 41 -13.802000 12.206000 20.669000 18 " " V B 2 "VAL " "HG21" 1 0 2 1 3548 21.02 + 3548 41 -14.668000 10.828000 21.315000 18 " " V B 2 "VAL " "HG22" 1 0 2 1 3549 21.02 + 3549 41 -15.348000 11.750000 19.978000 18 " " V B 2 "VAL " "HG23" 1 0 2 1 3550 21.02 + 5 41 -9.600000 7.518000 44.746000 3 " " X A 2 "LYS " "2H " 1 0 0 1 5 <> + 25 3 -6.594000 4.327000 47.986000 3 " " I A 2 "LYS " " CG2" 6 0 0 1 25 25.27 + 28 41 -5.134000 6.683000 50.072000 3 " " I A 2 "LYS " " HA " 1 0 0 1 28 17.24 + ::: + } + m_bond[199] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 2 15 1 + 2 31 44 1 + 3 15 60 1 + 4 52 27 1 + 5 57 30 1 + 6 56 8 1 + 7 38 9 1 + 8 16 36 1 + 9 31 35 1 + 10 42 22 1 + 11 38 10 1 + 12 46 40 1 + 13 36 8 1 + 14 46 7 1 + 15 35 13 1 + 16 60 31 1 + 17 40 32 1 + 18 46 45 1 + 19 29 1 1 + 20 9 53 1 + 21 22 33 1 + 22 41 18 1 + 23 45 31 1 + 24 13 53 1 + 25 40 19 1 + 26 55 20 1 + 27 16 22 1 + 28 51 36 1 + 29 46 56 1 + 30 8 17 1 + 31 56 40 1 + 32 50 6 1 + 33 57 16 1 + 34 57 34 1 + 35 48 47 1 + 36 28 48 1 + 37 57 30 1 + 38 39 40 1 + 39 11 6 1 + 40 35 55 1 + 41 47 30 1 + 42 4 35 1 + 43 60 35 1 + 44 39 56 1 + 45 44 24 1 + 46 29 55 1 + 47 29 41 1 + 48 6 55 1 + 49 52 51 1 + 50 32 21 1 + 51 55 55 1 + 52 43 55 1 + 53 30 44 1 + 54 54 47 1 + 55 13 50 1 + 56 14 56 1 + 57 44 54 1 + 58 58 21 1 + 59 27 58 1 + 60 84 122 2 + 61 122 122 2 + 62 109 79 2 + 63 103 121 2 + 64 102 139 2 + 65 93 93 2 + 66 68 103 2 + 67 110 77 2 + 68 109 63 2 + 69 86 83 2 + 70 123 137 2 + 71 110 131 2 + 72 122 85 2 + 73 75 110 2 + 74 131 138 2 + 75 88 134 2 + 76 117 81 2 + 77 107 74 2 + 78 67 61 2 + 79 97 134 2 + 80 94 131 2 + 81 65 95 2 + 82 124 100 2 + 83 120 106 2 + 84 71 111 2 + 85 95 129 2 + 86 104 116 2 + 87 61 95 2 + 88 88 132 2 + 89 80 97 2 + 90 68 121 2 + 91 138 87 2 + 92 84 134 2 + 93 86 139 2 + 94 84 76 2 + 95 83 85 2 + 96 76 61 2 + 97 116 98 2 + 98 64 82 2 + 99 106 93 2 + 100 96 102 2 + 101 98 122 2 + 102 74 82 2 + 103 123 130 2 + 104 114 127 2 + 105 102 122 2 + 106 90 126 2 + 107 118 92 2 + 108 88 71 2 + 109 120 132 2 + 110 135 71 2 + 111 125 136 2 + 112 71 67 2 + 113 128 110 2 + 114 67 95 2 + 115 83 72 2 + 116 60 70 2 + 117 99 135 2 + 118 87 87 2 + 119 63 124 2 + 120 64 110 2 + 121 127 81 2 + 122 90 106 2 + 123 93 92 2 + 124 62 91 2 + 125 67 119 2 + 126 95 70 2 + 127 134 115 2 + 128 113 115 2 + 129 93 112 2 + 130 102 106 2 + 131 136 105 2 + 132 82 126 2 + 133 109 103 2 + 134 66 119 2 + 135 84 60 2 + 136 79 67 2 + 137 63 96 2 + 138 74 134 2 + 139 112 91 2 + 140 105 68 2 + 141 125 80 2 + 142 136 75 2 + 143 62 117 2 + 144 66 124 2 + 145 105 120 2 + 146 141 63 2 + 147 63 90 2 + 148 139 60 2 + 149 77 73 2 + 150 81 118 2 + 151 81 72 2 + 152 123 126 2 + 153 128 136 2 + 154 83 91 2 + 155 86 124 2 + 156 140 108 2 + 157 126 98 2 + 158 67 92 2 + 159 131 69 2 + 160 69 94 2 + 161 137 66 2 + 162 99 87 2 + 163 134 134 2 + 164 134 72 2 + 165 91 138 2 + 166 89 97 2 + 167 109 128 2 + 168 123 100 2 + 169 61 64 2 + 170 68 114 2 + 171 119 115 2 + 172 122 106 2 + 173 131 84 2 + 174 93 94 2 + 175 124 118 2 + 176 82 119 2 + 177 107 95 2 + 178 112 64 2 + 179 71 71 2 + 180 89 62 2 + 181 89 61 2 + 182 120 80 2 + 183 85 61 2 + 184 97 95 2 + 185 94 98 2 + 186 98 139 2 + 187 115 133 2 + 188 115 64 2 + 189 136 66 2 + 190 131 62 2 + 191 83 102 2 + 192 121 60 2 + 193 117 110 2 + 194 134 138 2 + 195 119 89 2 + 196 137 128 2 + 197 112 118 2 + 198 105 116 2 + 199 95 69 2 + ::: + } +} diff --git a/test/MMTF/1FSD.dms b/test/MMTF/1FSD.dms new file mode 100644 Binary files /dev/null and b/test/MMTF/1FSD.dms differ diff --git a/test/PDB/1PPE_I.mae b/test/PDB/1PPE_I.mae new file mode 100644 --- /dev/null +++ b/test/PDB/1PPE_I.mae @@ -0,0 +1,995 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_id + s_m_entry_name + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + b_ppw_prepared + s_ppw_entry_id_backup + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + i_m_ct_format + ::: + 1PPE_I + 643 + 1ppe.1 + /Users/piane_ramso/Ya.Disk/Yandex.Disk/Work/biocad/hedge/mae_dataset + 1PPE_I.mae + 1 + 1 + 158 + 1 + 1 + 1 + 1 + 1 + "THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES" + 1PPE + 59.28 + 55.47 + 74.59 + 90 + 90 + 90 + "P 21 21 21" + 4 + "HYDROLASE(SERINE PROTEINASE)" + 24-OCT-91 + 3.15 + 0.150999993085861 + 2 + "X-RAY DIFFRACTION" + "E, I" + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 2 + m_atom[436] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + i_m_ribbon_style + i_m_ribbon_color + s_m_ribbon_color_rgb + r_m_pdb_occupancy + r_m_pdb_tfactor + i_pdb_PDB_serial + i_pdb_seqres_index + ::: + 1 32 1.045806 16.243501 -11.758674 1 R I 38 "ARG " " N " 7 1 1 2F2FFF N4987 0 1 2 <> 1 33.34 1631 1 + 2 3 1.717287 15.105202 -11.079676 1 R I 2 "ARG " " CA " 6 0 1 A0A0A0 C4988 0 1 -9 006400 1 32.42 1632 1 + 3 2 0.747490 13.951791 -10.856091 1 R I 2 "ARG " " C " 6 0 1 A0A0A0 C4989 0 1 2 <> 1 24.38 1633 1 + 4 15 -0.472792 14.159266 -10.705597 1 R I 75 "ARG " " O " 8 0 1 FF5757 O4990 0 1 2 <> 1 27.42 1634 1 + 5 3 2.243528 15.549650 -9.707256 1 R I 2 "ARG " " CB " 6 0 1 A0A0A0 C4991 0 1 2 <> 1 18.37 1635 1 + 6 3 1.558311 16.839504 -9.363403 1 R I 2 "ARG " " CG " 6 0 1 A0A0A0 C4992 0 1 2 <> 1 13.85 1636 1 + 7 3 2.353141 17.580441 -8.273873 1 R I 2 "ARG " " CD " 6 0 1 A0A0A0 C4993 0 1 2 <> 1 20.56 1637 1 + 8 25 2.258265 16.794240 -7.076598 1 R I 38 "ARG " " NE " 7 0 1 2F2FFF N4994 0 1 2 <> 1 37.25 1638 1 + 9 2 1.276688 16.787280 -6.177455 1 R I 2 "ARG " " CZ " 6 0 1 A0A0A0 C4995 0 1 2 <> 1 28.69 1639 1 + 10 25 0.210799 17.604860 -6.115106 1 R I 38 "ARG " " NH1" 7 0 1 2F2FFF N4996 0 1 2 <> 1 30.8 1640 1 + 11 31 1.594570 16.076692 -5.156031 1 R I 38 "ARG " " NH2" 7 1 1 2F2FFF N4997 0 1 2 <> 1 23.22 1641 1 + 12 25 1.355158 12.800065 -10.856798 2 V I 38 "VAL " " N " 7 0 1 2F2FFF N4998 0 1 2 <> 1 16.32 1642 2 + 13 3 0.608730 11.590119 -10.530758 2 V I 2 "VAL " " CA " 6 0 1 A0A0A0 C4999 0 1 -9 006400 1 15.6 1643 2 + 14 2 0.657538 11.338644 -9.026648 2 V I 2 "VAL " " C " 6 0 1 A0A0A0 C5000 0 1 2 <> 1 14.33 1644 2 + 15 15 1.628172 10.835443 -8.457929 2 V I 75 "VAL " " O " 8 0 1 FF5757 O5001 0 1 2 <> 1 12.69 1645 2 + 16 3 1.101793 10.419460 -11.388193 2 V I 2 "VAL " " CB " 6 0 1 A0A0A0 C5002 0 1 2 <> 1 21.44 1646 2 + 17 3 0.371775 9.084017 -11.149806 2 V I 2 "VAL " " CG1" 6 0 1 A0A0A0 C5003 0 1 2 <> 1 13.21 1647 2 + 18 3 1.115495 10.849804 -12.867967 2 V I 2 "VAL " " CG2" 6 0 1 A0A0A0 C5004 0 1 2 <> 1 15.92 1648 2 + 19 25 -0.424388 11.737257 -8.379170 3 C I 38 "CYS " " N " 7 0 1 2F2FFF N5005 0 1 2 <> 1 15.61 1649 3 + 20 3 -0.491565 11.423272 -6.955715 3 C I 2 "CYS " " CA " 6 0 1 A0A0A0 C5006 0 1 -9 006400 1 8.79 1650 3 + 21 2 -1.739273 10.574160 -6.587587 3 C I 2 "CYS " " C " 6 0 1 A0A0A0 C5007 0 1 2 <> 1 11.83 1651 3 + 22 15 -2.858996 11.059662 -6.708887 3 C I 75 "CYS " " O " 8 0 1 FF5757 O5008 0 1 2 <> 1 3.56 1652 3 + 23 3 -0.438624 12.800897 -6.272657 3 C I 2 "CYS " " CB " 6 0 1 A0A0A0 C5009 0 1 2 <> 1 14.41 1653 3 + 24 49 -0.703035 12.718571 -4.518924 3 C I 13 "CYS " " SG " 16 0 1 E1E11E S5010 0 1 2 <> 1 7.31 1654 3 + 25 25 -1.556005 9.308893 -6.233867 4 P I 38 "PRO " " N " 7 0 1 2F2FFF N5011 0 1 2 <> 1 11.42 1655 4 + 26 3 -2.657262 8.481882 -5.748383 4 P I 2 "PRO " " CA " 6 0 1 A0A0A0 C5012 0 1 -9 006400 1 3 1656 4 + 27 2 -3.370877 9.069250 -4.516739 4 P I 2 "PRO " " C " 6 0 1 A0A0A0 C5013 0 1 2 <> 1 5.11 1657 4 + 28 15 -2.741452 9.740304 -3.697401 4 P I 75 "PRO " " O " 8 0 1 FF5757 O5014 0 1 2 <> 1 3 1658 4 + 29 3 -2.047903 7.164320 -5.407323 4 P I 2 "PRO " " CB " 6 0 1 A0A0A0 C5015 0 1 2 <> 1 3 1659 4 + 30 3 -0.544535 7.404641 -5.400342 4 P I 2 "PRO " " CG " 6 0 1 A0A0A0 C5016 0 1 2 <> 1 14.11 1660 4 + 31 3 -0.269141 8.562817 -6.317336 4 P I 2 "PRO " " CD " 6 0 1 A0A0A0 C5017 0 1 2 <> 1 3.6 1661 4 + 32 25 -4.670457 8.765201 -4.432167 5 R I 38 "ARG " " N " 7 0 1 2F2FFF N5018 0 1 2 <> 1 3 1662 5 + 33 3 -5.578190 9.375627 -3.503402 5 R I 2 "ARG " " CA " 6 0 1 A0A0A0 C5019 0 1 -9 006400 1 13.81 1663 5 + 34 2 -5.641462 8.642245 -2.201079 5 R I 2 "ARG " " C " 6 0 1 A0A0A0 C5020 0 1 2 <> 1 3 1664 5 + 35 15 -6.708649 8.601555 -1.602813 5 R I 75 "ARG " " O " 8 0 1 FF5757 O5021 0 1 2 <> 1 3 1665 5 + 36 3 -6.926035 9.838032 -4.110596 5 R I 2 "ARG " " CB " 6 0 1 A0A0A0 C5022 0 1 2 <> 1 3 1666 5 + 37 3 -6.623034 10.963665 -5.148350 5 R I 2 "ARG " " CG " 6 0 1 A0A0A0 C5023 0 1 2 <> 1 4.47 1667 5 + 38 3 -7.810057 11.433980 -5.988069 5 R I 2 "ARG " " CD " 6 0 1 A0A0A0 C5024 0 1 2 <> 1 3 1668 5 + 39 25 -7.337011 12.640605 -6.614072 5 R I 38 "ARG " " NE " 7 0 1 2F2FFF N5025 0 1 2 <> 1 3 1669 5 + 40 2 -8.128566 13.330951 -7.396128 5 R I 2 "ARG " " CZ " 6 0 1 A0A0A0 C5026 0 1 2 <> 1 6.07 1670 5 + 41 25 -9.333126 12.895115 -7.694484 5 R I 38 "ARG " " NH1" 7 0 1 2F2FFF N5027 0 1 2 <> 1 4.5 1671 5 + 42 31 -7.793412 14.501304 -7.861882 5 R I 38 "ARG " " NH2" 7 1 1 2F2FFF N5028 0 1 2 <> 1 5.62 1672 5 + 43 25 -4.536809 8.016162 -1.844460 6 I I 38 "ILE " " N " 7 0 1 2F2FFF N5029 0 1 2 <> 1 3.77 1673 6 + 44 3 -4.564404 7.287816 -0.487358 6 I I 2 "ILE " " CA " 6 0 1 A0A0A0 C5030 0 1 -9 006400 1 3 1674 6 + 45 2 -4.247546 8.297031 0.634666 6 I I 2 "ILE " " C " 6 0 1 A0A0A0 C5031 0 1 2 <> 1 9.34 1675 6 + 46 15 -3.463788 9.270458 0.448554 6 I I 75 "ILE " " O " 8 0 1 FF5757 O5032 0 1 2 <> 1 5.14 1676 6 + 47 3 -3.490723 6.114571 -0.463308 6 I I 2 "ILE " " CB " 6 0 1 A0A0A0 C5033 0 1 2 <> 1 7.04 1677 6 + 48 3 -3.399666 5.301340 0.844291 6 I I 2 "ILE " " CG1" 6 0 1 A0A0A0 C5034 0 1 2 <> 1 3 1678 6 + 49 3 -2.102026 6.615899 -0.995529 6 I I 2 "ILE " " CG2" 6 0 1 A0A0A0 C5035 0 1 2 <> 1 3.1 1679 6 + 50 3 -2.523588 4.065408 0.638849 6 I I 2 "ILE " " CD1" 6 0 1 A0A0A0 C5036 0 1 2 <> 1 4.89 1680 6 + 51 25 -4.842939 8.000023 1.814835 7 L I 38 "LEU " " N " 7 0 1 2F2FFF N5037 0 1 2 <> 1 11.09 1681 7 + 52 3 -4.508724 8.847783 2.988279 7 L I 2 "LEU " " CA " 6 0 1 A0A0A0 C5038 0 1 -9 006400 1 3 1682 7 + 53 2 -3.248577 8.256209 3.600826 7 L I 2 "LEU " " C " 6 0 1 A0A0A0 C5039 0 1 2 <> 1 12.66 1683 7 + 54 15 -3.256039 7.077016 3.961928 7 L I 75 "LEU " " O " 8 0 1 FF5757 O5040 0 1 2 <> 1 4.25 1684 7 + 55 3 -5.619028 8.775235 4.046422 7 L I 2 "LEU " " CB " 6 0 1 A0A0A0 C5041 0 1 2 <> 1 7.89 1685 7 + 56 3 -5.382164 9.671785 5.320881 7 L I 2 "LEU " " CG " 6 0 1 A0A0A0 C5042 0 1 2 <> 1 13.86 1686 7 + 57 3 -5.018002 11.087306 4.898092 7 L I 2 "LEU " " CD1" 6 0 1 A0A0A0 C5043 0 1 2 <> 1 13.88 1687 7 + 58 3 -6.678247 9.809641 6.153202 7 L I 2 "LEU " " CD2" 6 0 1 A0A0A0 C5044 0 1 2 <> 1 5.11 1688 7 + 59 25 -2.149378 9.036479 3.540554 8 M I 38 "MET " " N " 7 0 1 2F2FFF N5045 0 1 2 <> 1 8.64 1689 8 + 60 3 -0.873765 8.554832 4.018848 8 M I 2 "MET " " CA " 6 0 1 A0A0A0 C5046 0 1 -9 006400 1 3 1690 8 + 61 2 -0.152489 9.618347 4.864452 8 M I 2 "MET " " C " 6 0 1 A0A0A0 C5047 0 1 2 <> 1 11.88 1691 8 + 62 15 0.031395 10.763150 4.423718 8 M I 75 "MET " " O " 8 0 1 FF5757 O5048 0 1 2 <> 1 4.49 1692 8 + 63 3 -0.050889 8.096947 2.809418 8 M I 2 "MET " " CB " 6 0 1 A0A0A0 C5049 0 1 2 <> 1 5.23 1693 8 + 64 3 1.357874 7.561447 3.116747 8 M I 2 "MET " " CG " 6 0 1 A0A0A0 C5050 0 1 2 <> 1 12.17 1694 8 + 65 49 2.225434 6.691542 1.704219 8 M I 13 "MET " " SD " 16 0 1 E1E11E S5051 0 1 2 <> 1 24.21 1695 8 + 66 3 0.787508 5.823917 1.015973 8 M I 2 "MET " " CE " 6 0 1 A0A0A0 C5052 0 1 2 <> 1 21.4 1696 8 + 67 25 0.128010 9.246743 6.130565 9 E I 38 "GLU " " N " 7 0 1 2F2FFF N5053 0 1 2 <> 1 7.23 1697 9 + 68 3 0.891065 10.153975 7.041401 9 E I 2 "GLU " " CA " 6 0 1 A0A0A0 C5054 0 1 -9 006400 1 26.64 1698 9 + 69 2 2.302658 10.332072 6.481645 9 E I 2 "GLU " " C " 6 0 1 A0A0A0 C5055 0 1 2 <> 1 23.44 1699 9 + 70 15 2.879288 9.391588 5.930212 9 E I 75 "GLU " " O " 8 0 1 FF5757 O5056 0 1 2 <> 1 15.55 1700 9 + 71 3 0.991230 9.492016 8.440957 9 E I 2 "GLU " " CB " 6 0 1 A0A0A0 C5057 0 1 2 <> 1 10.59 1701 9 + 72 3 -0.221077 9.794034 9.339298 9 E I 2 "GLU " " CG " 6 0 1 A0A0A0 C5058 0 1 2 <> 1 28.46 1702 9 + 73 2 -0.327914 8.813874 10.515239 9 E I 2 "GLU " " CD " 6 0 1 A0A0A0 C5059 0 1 2 <> 1 17.54 1703 9 + 74 15 0.586118 8.660764 11.345656 9 E I 75 "GLU " " OE1" 8 0 1 FF5757 O5060 0 1 2 <> 1 29.4 1704 9 + 75 18 -1.341461 8.112837 10.688697 9 E I 75 "GLU " " OE2" 8 -1 1 FF5757 O5061 0 1 2 <> 1 26.45 1705 9 + 76 25 2.906096 11.494843 6.624635 10 C I 38 "CYS " " N " 7 0 1 2F2FFF N5062 0 1 2 <> 1 6.88 1706 10 + 77 3 4.330153 11.490020 6.236667 10 C I 2 "CYS " " CA " 6 0 1 A0A0A0 C5063 0 1 -9 006400 1 5.74 1707 10 + 78 2 5.130591 12.453247 7.137249 10 C I 2 "CYS " " C " 6 0 1 A0A0A0 C5064 0 1 2 <> 1 33.94 1708 10 + 79 15 4.551753 13.385017 7.700049 10 C I 75 "CYS " " O " 8 0 1 FF5757 O5065 0 1 2 <> 1 14.26 1709 10 + 80 3 4.373110 11.933778 4.780072 10 C I 2 "CYS " " CB " 6 0 1 A0A0A0 C5066 0 1 2 <> 1 3 1710 10 + 81 49 3.465456 13.474065 4.536768 10 C I 13 "CYS " " SG " 16 0 1 E1E11E S5067 0 1 2 <> 1 5.5 1711 10 + 82 25 6.445284 12.443447 7.028802 11 K I 38 "LYS " " N " 7 0 1 2F2FFF N5068 0 1 2 <> 1 23.7 1712 11 + 83 3 7.263938 13.544174 7.606976 11 K I 2 "LYS " " CA " 6 0 1 A0A0A0 C5069 0 1 -9 006400 1 11.76 1713 11 + 84 2 8.140598 14.223976 6.559349 11 K I 2 "LYS " " C " 6 0 1 A0A0A0 C5070 0 1 2 <> 1 12.95 1714 11 + 85 15 8.540002 15.388412 6.721343 11 K I 75 "LYS " " O " 8 0 1 FF5757 O5071 0 1 2 <> 1 12.13 1715 11 + 86 3 8.197942 12.996003 8.680271 11 K I 2 "LYS " " CB " 6 0 1 A0A0A0 C5072 0 1 2 <> 1 17.39 1716 11 + 87 3 7.470667 12.823151 10.018331 11 K I 2 "LYS " " CG " 6 0 1 A0A0A0 C5073 0 1 2 <> 1 30.12 1717 11 + 88 3 8.448700 12.517681 11.169047 11 K I 2 "LYS " " CD " 6 0 1 A0A0A0 C5074 0 1 2 <> 0 32.78 1718 11 + 89 3 7.972283 11.354414 12.062358 11 K I 2 "LYS " " CE " 6 0 1 A0A0A0 C5075 0 1 2 <> 1 39.14 1719 11 + 90 32 8.448078 10.089046 11.525921 11 K I 38 "LYS " " NZ " 7 1 1 2F2FFF N5076 0 1 2 <> 1 43.85 1720 11 + 91 25 8.472112 13.448161 5.527441 12 K I 38 "LYS " " N " 7 0 1 2F2FFF N5077 0 1 2 <> 1 13.8 1721 12 + 92 3 9.101618 14.090751 4.399935 12 K I 2 "LYS " " CA " 6 0 1 A0A0A0 C5078 0 1 -9 006400 1 13.15 1722 12 + 93 2 8.496289 13.671224 3.077445 12 K I 2 "LYS " " C " 6 0 1 A0A0A0 C5079 0 1 2 <> 1 22.23 1723 12 + 94 15 7.787434 12.668160 3.079872 12 K I 75 "LYS " " O " 8 0 1 FF5757 O5080 0 1 2 <> 1 8.06 1724 12 + 95 3 10.582550 13.815263 4.351306 12 K I 2 "LYS " " CB " 6 0 1 A0A0A0 C5081 0 1 2 <> 1 11.87 1725 12 + 96 3 10.835900 12.366271 4.594159 12 K I 2 "LYS " " CG " 6 0 1 A0A0A0 C5082 0 1 2 <> 1 11.39 1726 12 + 97 3 11.912376 12.320120 5.693142 12 K I 2 "LYS " " CD " 6 0 1 A0A0A0 C5083 0 1 2 <> 1 31.1 1727 12 + 98 3 13.031162 11.479024 5.162916 12 K I 2 "LYS " " CE " 6 0 1 A0A0A0 C5084 0 1 2 <> 1 42.73 1728 12 + 99 32 12.358721 10.295819 4.640180 12 K I 38 "LYS " " NZ " 7 1 1 2F2FFF N5085 0 1 2 <> 1 41.01 1729 12 + 100 25 8.804198 14.482827 2.038855 13 D I 38 "ASP " " N " 7 0 1 2F2FFF N5086 0 1 2 <> 1 11.51 1730 13 + 101 3 8.259692 14.187467 0.700022 13 D I 2 "ASP " " CA " 6 0 1 A0A0A0 C5087 0 1 -9 006400 1 8.27 1731 13 + 102 2 8.449073 12.715508 0.333774 13 D I 2 "ASP " " C " 6 0 1 A0A0A0 C5088 0 1 2 <> 1 18.87 1732 13 + 103 15 7.560651 12.099860 -0.244334 13 D I 75 "ASP " " O " 8 0 1 FF5757 O5089 0 1 2 <> 1 27.37 1733 13 + 104 3 8.880381 15.038154 -0.422926 13 D I 2 "ASP " " CB " 6 0 1 A0A0A0 C5090 0 1 2 <> 1 24.47 1734 13 + 105 2 8.356086 16.461405 -0.319456 13 D I 2 "ASP " " CG " 6 0 1 A0A0A0 C5091 0 1 2 <> 1 13.86 1735 13 + 106 15 7.345264 16.767759 0.353191 13 D I 75 "ASP " " OD1" 8 0 1 FF5757 O5092 0 1 2 <> 1 8.36 1736 13 + 107 18 8.947157 17.375652 -0.918106 13 D I 75 "ASP " " OD2" 8 -1 1 FF5757 O5093 0 1 2 <> 1 10.42 1737 13 + 108 25 9.630903 12.246244 0.643401 14 S I 38 "SER " " N " 7 0 1 2F2FFF N5094 0 1 2 <> 1 5.77 1738 14 + 109 3 10.159579 10.917700 0.230066 14 S I 2 "SER " " CA " 6 0 1 A0A0A0 C5095 0 1 -9 006400 1 8.51 1739 14 + 110 2 9.368536 9.807006 0.906111 14 S I 2 "SER " " C " 6 0 1 A0A0A0 C5096 0 1 2 <> 1 3.52 1740 14 + 111 15 9.251394 8.714621 0.374702 14 S I 75 "SER " " O " 8 0 1 FF5757 O5097 0 1 2 <> 1 13.85 1741 14 + 112 3 11.647918 10.796247 0.640994 14 S I 2 "SER " " CB " 6 0 1 A0A0A0 C5098 0 1 2 <> 1 20.5 1742 14 + 113 16 11.748790 10.445801 2.024799 14 S I 75 "SER " " OG " 8 0 1 FF5757 O5099 0 1 2 <> 1 24.94 1743 14 + 114 25 8.622238 10.183979 1.925072 15 D I 38 "ASP " " N " 7 0 1 2F2FFF N5100 0 1 2 <> 1 5.92 1744 15 + 115 3 7.690465 9.184941 2.488788 15 D I 2 "ASP " " CA " 6 0 1 A0A0A0 C5101 0 1 -9 006400 1 10.99 1745 15 + 116 2 6.531018 8.829324 1.542970 15 D I 2 "ASP " " C " 6 0 1 A0A0A0 C5102 0 1 2 <> 1 22.47 1746 15 + 117 15 5.775759 7.919367 1.867997 15 D I 75 "ASP " " O " 8 0 1 FF5757 O5103 0 1 2 <> 1 12.29 1747 15 + 118 3 7.082890 9.737813 3.788750 15 D I 2 "ASP " " CB " 6 0 1 A0A0A0 C5104 0 1 2 <> 1 9.99 1748 15 + 119 2 8.147609 9.849107 4.897055 15 D I 2 "ASP " " CG " 6 0 1 A0A0A0 C5105 0 1 2 <> 1 13.56 1749 15 + 120 15 9.247937 9.251730 4.828617 15 D I 75 "ASP " " OD1" 8 0 1 FF5757 O5106 0 1 2 <> 1 16.33 1750 15 + 121 18 7.931089 10.564002 5.904247 15 D I 75 "ASP " " OD2" 8 -1 1 FF5757 O5107 0 1 2 <> 1 14.39 1751 15 + 122 25 6.234317 9.685081 0.574746 16 C I 38 "CYS " " N " 7 0 1 2F2FFF N5108 0 1 2 <> 1 4.27 1752 16 + 123 3 4.943537 9.578983 -0.113980 16 C I 2 "CYS " " CA " 6 0 1 A0A0A0 C5109 0 1 -9 006400 1 3 1753 16 + 124 2 4.961104 8.632525 -1.320004 16 C I 2 "CYS " " C " 6 0 1 A0A0A0 C5110 0 1 2 <> 1 11.88 1754 16 + 125 15 6.021679 8.462767 -1.896043 16 C I 75 "CYS " " O " 8 0 1 FF5757 O5111 0 1 2 <> 1 15.03 1755 16 + 126 3 4.454221 10.963313 -0.524556 16 C I 2 "CYS " " CB " 6 0 1 A0A0A0 C5112 0 1 2 <> 1 3 1756 16 + 127 49 4.083781 11.918729 0.943548 16 C I 13 "CYS " " SG " 16 0 1 E1E11E S5113 0 1 2 <> 1 5.76 1757 16 + 128 25 3.767011 8.303807 -1.885064 17 L I 38 "LEU " " N " 7 0 1 2F2FFF N5114 0 1 2 <> 1 12.85 1758 17 + 129 3 3.782724 7.514171 -3.133722 17 L I 2 "LEU " " CA " 6 0 1 A0A0A0 C5115 0 1 -9 006400 1 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I 13 "CYS " " SG " 16 0 1 E1E11E S5154 0 1 2 <> 1 6.58 1798 22 + 169 25 2.589379 17.197798 2.689495 23 L I 38 "LEU " " N " 7 0 1 2F2FFF N5155 0 1 2 <> 1 10.27 1799 23 + 170 3 2.219454 18.604638 2.897203 23 L I 2 "LEU " " CA " 6 0 1 A0A0A0 C5156 0 1 -9 006400 1 15.09 1800 23 + 171 2 2.252801 18.957690 4.387104 23 L I 2 "LEU " " C " 6 0 1 A0A0A0 C5157 0 1 2 <> 1 23.96 1801 23 + 172 15 2.514361 18.077612 5.207921 23 L I 75 "LEU " " O " 8 0 1 FF5757 O5158 0 1 2 <> 1 24.44 1802 23 + 173 3 0.811240 18.739646 2.343138 23 L I 2 "LEU " " CB " 6 0 1 A0A0A0 C5159 0 1 2 <> 1 4.86 1803 23 + 174 3 0.866665 18.523874 0.835925 23 L I 2 "LEU " " CG " 6 0 1 A0A0A0 C5160 0 1 2 <> 1 12.51 1804 23 + 175 3 -0.533524 18.230556 0.323600 23 L I 2 "LEU " " CD1" 6 0 1 A0A0A0 C5161 0 1 2 <> 1 28.01 1805 23 + 176 3 1.494090 19.771999 0.188056 23 L I 2 "LEU " " CD2" 6 0 1 A0A0A0 C5162 0 1 2 <> 1 16.05 1806 23 + 177 25 2.152895 20.260906 4.635742 24 E I 38 "GLU " " N " 7 0 1 2F2FFF N5163 0 1 2 <> 1 11.91 1807 24 + 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2.729695 23 L I 21 "LEU " " H " 1 0 1 FFFFFF H394 -1 0 1 <> <> <> <> <> + 395 41 2.899936 19.253510 2.345832 23 L I 21 "LEU " " HA " 1 0 0 FFFFFF H395 -1 0 1 <> <> <> <> <> + 396 41 0.433038 19.740178 2.552900 23 L I 21 "LEU " " HB3" 1 0 0 FFFFFF H396 -1 0 1 <> <> <> <> <> + 397 41 0.169439 17.983175 2.794738 23 L I 21 "LEU " " HB2" 1 0 0 FFFFFF H397 -1 0 1 <> <> <> <> <> + 398 41 1.503163 17.663741 0.628220 23 L I 21 "LEU " " HG " 1 0 0 FFFFFF H398 -1 0 1 <> <> <> <> <> + 399 41 -0.501242 18.075035 -0.754765 23 L I 21 "LEU " "HD11" 1 0 0 FFFFFF H399 -1 0 1 <> <> <> <> <> + 400 41 -0.917709 17.333008 0.808274 23 L I 21 "LEU " "HD12" 1 0 0 FFFFFF H400 -1 0 1 <> <> <> <> <> + 401 41 -1.187427 19.072925 0.549270 23 L I 21 "LEU " "HD13" 1 0 0 FFFFFF H401 -1 0 1 <> <> <> <> <> + 402 41 1.542185 19.635912 -0.892345 23 L I 21 "LEU " "HD21" 1 0 0 FFFFFF H402 -1 0 1 <> <> <> <> <> + 403 41 0.884452 20.646122 0.416854 23 L I 21 "LEU " "HD22" 1 0 0 FFFFFF H403 -1 0 1 <> <> <> <> <> + 404 41 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+ 414 41 -2.257572 18.329052 7.875217 25 H I 21 "HID " " HB2" 1 0 0 FFFFFF H414 -1 0 1 <> <> <> <> <> + 415 43 -2.487860 20.254817 6.269186 25 H I 21 "HID " " HD1" 1 0 1 FFFFFF H415 -1 0 1 <> <> <> <> <> + 416 41 -1.705693 21.320163 10.229377 25 H I 21 "HID " " HD2" 1 0 0 FFFFFF H416 -1 0 1 <> <> <> <> <> + 417 41 -3.095782 22.825142 6.290189 25 H I 21 "HID " " HE1" 1 0 0 FFFFFF H417 -1 0 1 <> <> <> <> <> + 418 43 1.584084 17.588926 7.021352 26 G I 21 "GLY " " H " 1 0 1 FFFFFF H418 -1 0 1 <> <> <> <> <> + 419 41 1.715699 15.411959 8.964018 26 G I 21 "GLY " " HA3" 1 0 0 FFFFFF H419 -1 0 1 <> <> <> <> <> + 420 41 2.809757 15.691543 7.607545 26 G I 21 "GLY " " HA2" 1 0 0 FFFFFF H420 -1 0 1 <> <> <> <> <> + 421 43 0.367359 15.999253 5.845800 27 Y I 21 "TYR " " H " 1 0 1 FFFFFF H421 -1 0 1 <> <> <> <> <> + 422 41 0.054538 13.014343 5.470159 27 Y I 21 "TYR " " HA " 1 0 0 FFFFFF H422 -1 0 1 <> <> <> <> <> + 423 41 -2.153902 13.621144 4.309257 27 Y I 21 "TYR " " HB3" 1 0 0 FFFFFF H423 -1 0 1 <> <> <> <> <> + 424 41 -1.986859 15.220398 4.984898 27 Y I 21 "TYR " " HB2" 1 0 0 FFFFFF H424 -1 0 1 <> <> <> <> <> + 425 41 -2.046384 11.621168 6.020484 27 Y I 21 "TYR " " HD1" 1 0 0 FFFFFF H425 -1 0 1 <> <> <> <> <> + 426 41 -2.828792 15.670538 7.099232 27 Y I 21 "TYR " " HD2" 1 0 0 FFFFFF H426 -1 0 1 <> <> <> <> <> + 427 41 -2.980453 10.823892 8.144322 27 Y I 21 "TYR " " HE1" 1 0 0 FFFFFF H427 -1 0 1 <> <> <> <> <> + 428 41 -3.798863 14.890572 9.258790 27 Y I 21 "TYR " " HE2" 1 0 0 FFFFFF H428 -1 0 1 <> <> <> <> <> + 429 42 -4.243174 13.171144 10.538566 27 Y I 21 "TYR " " HH " 1 0 1 FFFFFF H429 -1 0 1 <> <> <> <> <> + 430 43 0.270627 12.228548 3.328180 28 C I 21 "CYS " " H " 1 0 1 FFFFFF H430 -1 0 1 <> <> <> <> <> + 431 41 1.621007 13.844733 1.380473 28 C I 21 "CYS " " HA " 1 0 0 FFFFFF H431 -1 0 1 <> <> <> <> <> + 432 41 1.201022 11.854138 -0.104591 28 C I 21 "CYS " " HB3" 1 0 0 FFFFFF H432 -1 0 1 <> <> <> <> <> + 433 41 0.140554 11.194400 1.068711 28 C I 21 "CYS " " HB2" 1 0 0 FFFFFF H433 -1 0 1 <> <> <> <> <> + 434 43 0.962201 14.380274 -0.764807 29 G I 21 "GLY " " H " 1 0 1 FFFFFF H434 -1 0 1 <> <> <> <> <> + 435 41 -1.469843 15.896075 -0.616524 29 G I 21 "GLY " " HA3" 1 0 0 FFFFFF H435 -1 0 1 <> <> <> <> <> + 436 41 -1.768965 14.353186 -1.568756 29 G I 21 "GLY " " HA2" 1 0 0 FFFFFF H436 -1 0 1 <> <> <> <> <> + ::: + } + m_bond[441] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 223 1 + 3 1 224 1 + 4 1 225 1 + 5 2 3 1 + 6 2 5 1 + 7 2 226 1 + 8 3 4 2 + 9 3 12 1 + 10 5 6 1 + 11 5 227 1 + 12 5 228 1 + 13 6 7 1 + 14 6 229 1 + 15 6 230 1 + 16 7 8 1 + 17 7 231 1 + 18 7 232 1 + 19 8 9 1 + 20 8 233 1 + 21 9 10 1 + 22 9 11 2 + 23 10 234 1 + 24 10 235 1 + 25 11 236 1 + 26 11 237 1 + 27 12 13 1 + 28 12 238 1 + 29 13 14 1 + 30 13 16 1 + 31 13 239 1 + 32 14 15 2 + 33 14 19 1 + 34 16 17 1 + 35 16 18 1 + 36 16 240 1 + 37 17 241 1 + 38 17 242 1 + 39 17 243 1 + 40 18 244 1 + 41 18 245 1 + 42 18 246 1 + 43 19 20 1 + 44 19 247 1 + 45 20 21 1 + 46 20 23 1 + 47 20 248 1 + 48 21 22 2 + 49 21 25 1 + 50 23 24 1 + 51 23 249 1 + 52 23 250 1 + 53 24 155 1 + 54 25 26 1 + 55 25 31 1 + 56 26 27 1 + 57 26 29 1 + 58 26 251 1 + 59 27 28 2 + 60 27 32 1 + 61 29 30 1 + 62 29 252 1 + 63 29 253 1 + 64 30 31 1 + 65 30 254 1 + 66 30 255 1 + 67 31 256 1 + 68 31 257 1 + 69 32 33 1 + 70 32 258 1 + 71 33 34 1 + 72 33 36 1 + 73 33 259 1 + 74 34 35 2 + 75 34 43 1 + 76 36 37 1 + 77 36 260 1 + 78 36 261 1 + 79 37 38 1 + 80 37 262 1 + 81 37 263 1 + 82 38 39 1 + 83 38 264 1 + 84 38 265 1 + 85 39 40 1 + 86 39 266 1 + 87 40 41 1 + 88 40 42 2 + 89 41 267 1 + 90 41 268 1 + 91 42 269 1 + 92 42 270 1 + 93 43 44 1 + 94 43 271 1 + 95 44 45 1 + 96 44 47 1 + 97 44 272 1 + 98 45 46 2 + 99 45 51 1 + 100 47 48 1 + 101 47 49 1 + 102 47 273 1 + 103 48 50 1 + 104 48 274 1 + 105 48 275 1 + 106 49 276 1 + 107 49 277 1 + 108 49 278 1 + 109 50 279 1 + 110 50 280 1 + 111 50 281 1 + 112 51 52 1 + 113 51 282 1 + 114 52 53 1 + 115 52 55 1 + 116 52 283 1 + 117 53 54 2 + 118 53 59 1 + 119 55 56 1 + 120 55 284 1 + 121 55 285 1 + 122 56 57 1 + 123 56 58 1 + 124 56 286 1 + 125 57 287 1 + 126 57 288 1 + 127 57 289 1 + 128 58 290 1 + 129 58 291 1 + 130 58 292 1 + 131 59 60 1 + 132 59 293 1 + 133 60 61 1 + 134 60 63 1 + 135 60 294 1 + 136 61 62 2 + 137 61 67 1 + 138 63 64 1 + 139 63 295 1 + 140 63 296 1 + 141 64 65 1 + 142 64 297 1 + 143 64 298 1 + 144 65 66 1 + 145 66 299 1 + 146 66 300 1 + 147 66 301 1 + 148 67 68 1 + 149 67 302 1 + 150 68 69 1 + 151 68 71 1 + 152 68 303 1 + 153 69 70 2 + 154 69 76 1 + 155 71 72 1 + 156 71 304 1 + 157 71 305 1 + 158 72 73 1 + 159 72 306 1 + 160 72 307 1 + 161 73 74 2 + 162 73 75 1 + 163 76 77 1 + 164 76 308 1 + 165 77 78 1 + 166 77 80 1 + 167 77 309 1 + 168 78 79 2 + 169 78 82 1 + 170 80 81 1 + 171 80 310 1 + 172 80 311 1 + 173 81 168 1 + 174 82 83 1 + 175 82 312 1 + 176 83 84 1 + 177 83 86 1 + 178 83 313 1 + 179 84 85 2 + 180 84 91 1 + 181 86 87 1 + 182 86 314 1 + 183 86 315 1 + 184 87 88 1 + 185 87 316 1 + 186 87 317 1 + 187 88 89 1 + 188 88 318 1 + 189 88 319 1 + 190 89 90 1 + 191 89 320 1 + 192 89 321 1 + 193 90 322 1 + 194 90 323 1 + 195 90 324 1 + 196 91 92 1 + 197 91 325 1 + 198 92 93 1 + 199 92 95 1 + 200 92 326 1 + 201 93 94 2 + 202 93 100 1 + 203 95 96 1 + 204 95 327 1 + 205 95 328 1 + 206 96 97 1 + 207 96 329 1 + 208 96 330 1 + 209 97 98 1 + 210 97 331 1 + 211 97 332 1 + 212 98 99 1 + 213 98 333 1 + 214 98 334 1 + 215 99 335 1 + 216 99 336 1 + 217 99 337 1 + 218 100 101 1 + 219 100 338 1 + 220 101 102 1 + 221 101 104 1 + 222 101 339 1 + 223 102 103 2 + 224 102 108 1 + 225 104 105 1 + 226 104 340 1 + 227 104 341 1 + 228 105 106 2 + 229 105 107 1 + 230 108 109 1 + 231 108 342 1 + 232 109 110 1 + 233 109 112 1 + 234 109 343 1 + 235 110 111 2 + 236 110 114 1 + 237 112 113 1 + 238 112 344 1 + 239 112 345 1 + 240 113 346 1 + 241 114 115 1 + 242 114 347 1 + 243 115 116 1 + 244 115 118 1 + 245 115 348 1 + 246 116 117 2 + 247 116 122 1 + 248 118 119 1 + 249 118 349 1 + 250 118 350 1 + 251 119 120 2 + 252 119 121 1 + 253 122 123 1 + 254 122 351 1 + 255 123 124 1 + 256 123 126 1 + 257 123 352 1 + 258 124 125 2 + 259 124 128 1 + 260 126 127 1 + 261 126 353 1 + 262 126 354 1 + 263 127 217 1 + 264 128 129 1 + 265 128 355 1 + 266 129 130 1 + 267 129 132 1 + 268 129 356 1 + 269 130 131 2 + 270 130 136 1 + 271 132 133 1 + 272 132 357 1 + 273 132 358 1 + 274 133 134 1 + 275 133 135 1 + 276 133 359 1 + 277 134 360 1 + 278 134 361 1 + 279 134 362 1 + 280 135 363 1 + 281 135 364 1 + 282 135 365 1 + 283 136 137 1 + 284 136 366 1 + 285 137 138 1 + 286 137 140 1 + 287 137 367 1 + 288 138 139 2 + 289 138 141 1 + 290 140 368 1 + 291 140 369 1 + 292 140 370 1 + 293 141 142 1 + 294 141 371 1 + 295 142 143 1 + 296 142 145 1 + 297 142 372 1 + 298 143 144 2 + 299 143 150 1 + 300 145 146 1 + 301 145 373 1 + 302 145 374 1 + 303 146 147 1 + 304 146 375 1 + 305 146 376 1 + 306 147 148 2 + 307 147 149 1 + 308 150 151 1 + 309 150 377 1 + 310 151 152 1 + 311 151 154 1 + 312 151 378 1 + 313 152 153 2 + 314 152 156 1 + 315 154 155 1 + 316 154 379 1 + 317 154 380 1 + 318 156 157 1 + 319 156 381 1 + 320 157 158 1 + 321 157 160 1 + 322 157 382 1 + 323 158 159 2 + 324 158 163 1 + 325 160 161 1 + 326 160 162 1 + 327 160 383 1 + 328 161 384 1 + 329 161 385 1 + 330 161 386 1 + 331 162 387 1 + 332 162 388 1 + 333 162 389 1 + 334 163 164 1 + 335 163 390 1 + 336 164 165 1 + 337 164 167 1 + 338 164 391 1 + 339 165 166 2 + 340 165 169 1 + 341 167 168 1 + 342 167 392 1 + 343 167 393 1 + 344 169 170 1 + 345 169 394 1 + 346 170 171 1 + 347 170 173 1 + 348 170 395 1 + 349 171 172 2 + 350 171 177 1 + 351 173 174 1 + 352 173 396 1 + 353 173 397 1 + 354 174 175 1 + 355 174 176 1 + 356 174 398 1 + 357 175 399 1 + 358 175 400 1 + 359 175 401 1 + 360 176 402 1 + 361 176 403 1 + 362 176 404 1 + 363 177 178 1 + 364 177 405 1 + 365 178 179 1 + 366 178 181 1 + 367 178 406 1 + 368 179 180 2 + 369 179 186 1 + 370 181 182 1 + 371 181 407 1 + 372 181 408 1 + 373 182 183 1 + 374 182 409 1 + 375 182 410 1 + 376 183 184 2 + 377 183 185 1 + 378 186 187 1 + 379 186 411 1 + 380 187 188 1 + 381 187 190 1 + 382 187 412 1 + 383 188 189 2 + 384 188 196 1 + 385 190 191 1 + 386 190 413 1 + 387 190 414 1 + 388 191 192 1 + 389 191 193 2 + 390 192 194 1 + 391 192 415 1 + 392 193 195 1 + 393 193 416 1 + 394 194 195 2 + 395 194 417 1 + 396 196 197 1 + 397 196 418 1 + 398 197 198 1 + 399 197 419 1 + 400 197 420 1 + 401 198 199 2 + 402 198 200 1 + 403 200 201 1 + 404 200 421 1 + 405 201 202 1 + 406 201 204 1 + 407 201 422 1 + 408 202 203 2 + 409 202 212 1 + 410 204 205 1 + 411 204 423 1 + 412 204 424 1 + 413 205 206 2 + 414 205 207 1 + 415 206 208 1 + 416 206 425 1 + 417 207 209 2 + 418 207 426 1 + 419 208 210 2 + 420 208 427 1 + 421 209 210 1 + 422 209 428 1 + 423 210 211 1 + 424 211 429 1 + 425 212 213 1 + 426 212 430 1 + 427 213 214 1 + 428 213 216 1 + 429 213 431 1 + 430 214 215 2 + 431 214 218 1 + 432 216 217 1 + 433 216 432 1 + 434 216 433 1 + 435 218 219 1 + 436 218 434 1 + 437 219 220 1 + 438 219 435 1 + 439 219 436 1 + 440 220 221 2 + 441 220 222 1 + ::: + } + m_PDB_SEQRES[2] { + s_pdb_chain_id + s_pdb_SEQRES + ::: + 1 E "ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SER ASN " + 2 I "ARG VAL CYS PRO ARG ILE LEU MET GLU CYS LYS LYS ASP SER ASP CYS LEU ALA GLU CYS VAL CYS LEU GLU HIS GLY TYR CYS GLY " + ::: + } +} + diff --git a/test/PDB/1PPE_I.pdb b/test/PDB/1PPE_I.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/1PPE_I.pdb @@ -0,0 +1,464 @@ +HEADER HYDROLASE(SERINE PROTEINASE) 24-OCT-91 1PPE +REMARK 4 1PPE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE +TITLE 2 COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A +TITLE 3 TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): +TITLE 4 TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH +TITLE 5 THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 2.00 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 59.280 55.470 74.590 90.00 90.00 90.00 P 21 21 21 4 +MODEL 1 +ATOM 1 N ARG I 1 1.046 16.244 -11.759 1.00 33.34 N1+ +ATOM 2 CA ARG I 1 1.717 15.105 -11.080 1.00 32.42 C +ATOM 3 C ARG I 1 0.747 13.952 -10.856 1.00 24.38 C +ATOM 4 O ARG I 1 -0.473 14.159 -10.706 1.00 27.42 O +ATOM 5 CB ARG I 1 2.244 15.550 -9.707 1.00 18.37 C +ATOM 6 CG ARG I 1 1.558 16.840 -9.363 1.00 13.85 C +ATOM 7 CD ARG I 1 2.353 17.580 -8.274 1.00 20.56 C +ATOM 8 NE ARG I 1 2.258 16.794 -7.077 1.00 37.25 N +ATOM 9 CZ ARG I 1 1.277 16.787 -6.177 1.00 28.69 C +ATOM 10 NH1 ARG I 1 0.211 17.605 -6.115 1.00 30.80 N +ATOM 11 NH2 ARG I 1 1.595 16.077 -5.156 1.00 23.22 N1+ +ATOM 12 H1 ARG I 1 1.709 16.993 -11.895 1.00 0.00 H +ATOM 13 H2 ARG I 1 0.692 15.940 -12.655 1.00 0.00 H +ATOM 14 H3 ARG I 1 0.279 16.572 -11.188 1.00 0.00 H +ATOM 15 HA ARG I 1 2.551 14.762 -11.692 1.00 0.00 H +ATOM 16 HB3 ARG I 1 3.319 15.715 -9.768 1.00 0.00 H +ATOM 17 HB2 ARG I 1 1.993 14.796 -8.961 1.00 0.00 H +ATOM 18 HG3 ARG I 1 0.552 16.630 -9.000 1.00 0.00 H +ATOM 19 HG2 ARG I 1 1.493 17.465 -10.254 1.00 0.00 H +ATOM 20 HD3 ARG I 1 1.906 18.559 -8.101 1.00 0.00 H +ATOM 21 HD2 ARG I 1 3.398 17.657 -8.576 1.00 0.00 H +ATOM 22 HE ARG I 1 3.060 16.193 -6.953 1.00 0.00 H +ATOM 23 HH12 ARG I 1 -0.468 17.494 -5.376 1.00 0.00 H +ATOM 24 HH11 ARG I 1 0.089 18.330 -6.808 1.00 0.00 H +ATOM 25 HH22 ARG I 1 0.946 15.978 -4.388 1.00 0.00 H +ATOM 26 HH21 ARG I 1 2.493 15.617 -5.121 1.00 0.00 H +ATOM 27 N VAL I 2 1.355 12.800 -10.857 1.00 16.32 N +ATOM 28 CA VAL I 2 0.609 11.590 -10.531 1.00 15.60 C +ATOM 29 C VAL I 2 0.658 11.339 -9.027 1.00 14.33 C +ATOM 30 O VAL I 2 1.628 10.835 -8.458 1.00 12.69 O +ATOM 31 CB VAL I 2 1.102 10.419 -11.388 1.00 21.44 C +ATOM 32 CG1 VAL I 2 0.372 9.084 -11.150 1.00 13.21 C +ATOM 33 CG2 VAL I 2 1.115 10.850 -12.868 1.00 15.92 C +ATOM 34 H VAL I 2 2.338 12.748 -11.082 1.00 0.00 H +ATOM 35 HA VAL I 2 -0.433 11.770 -10.796 1.00 0.00 H +ATOM 36 HB VAL I 2 2.142 10.253 -11.109 1.00 0.00 H +ATOM 37 HG11 VAL I 2 0.792 8.318 -11.802 1.00 0.00 H +ATOM 38 HG12 VAL I 2 0.496 8.782 -10.110 1.00 0.00 H +ATOM 39 HG13 VAL I 2 -0.689 9.205 -11.369 1.00 0.00 H +ATOM 40 HG21 VAL I 2 1.465 10.022 -13.484 1.00 0.00 H +ATOM 41 HG22 VAL I 2 0.108 11.130 -13.175 1.00 0.00 H +ATOM 42 HG23 VAL I 2 1.783 11.702 -12.993 1.00 0.00 H +ATOM 43 N CYS I 3 -0.424 11.737 -8.379 1.00 15.61 N +ATOM 44 CA CYS I 3 -0.492 11.423 -6.956 1.00 8.79 C +ATOM 45 C CYS I 3 -1.739 10.574 -6.588 1.00 11.83 C +ATOM 46 O CYS I 3 -2.859 11.060 -6.709 1.00 3.56 O +ATOM 47 CB CYS I 3 -0.439 12.801 -6.273 1.00 14.41 C +ATOM 48 SG CYS I 3 -0.703 12.719 -4.519 1.00 7.31 S +ATOM 49 H CYS I 3 -1.154 12.233 -8.872 1.00 0.00 H +ATOM 50 HA CYS I 3 0.403 10.864 -6.681 1.00 0.00 H +ATOM 51 HB3 CYS I 3 -1.185 13.456 -6.721 1.00 0.00 H +ATOM 52 HB2 CYS I 3 0.526 13.267 -6.472 1.00 0.00 H +ATOM 53 N PRO I 4 -1.556 9.309 -6.234 1.00 11.42 N +ATOM 54 CA PRO I 4 -2.657 8.482 -5.748 1.00 3.00 C +ATOM 55 C PRO I 4 -3.371 9.069 -4.517 1.00 5.11 C +ATOM 56 O PRO I 4 -2.741 9.740 -3.697 1.00 3.00 O +ATOM 57 CB PRO I 4 -2.048 7.164 -5.407 1.00 3.00 C +ATOM 58 CG PRO I 4 -0.545 7.405 -5.400 1.00 14.11 C +ATOM 59 CD PRO I 4 -0.269 8.563 -6.317 1.00 3.60 C +ATOM 60 HA PRO I 4 -3.382 8.344 -6.551 1.00 0.00 H +ATOM 61 HB3 PRO I 4 -2.295 6.440 -6.183 1.00 0.00 H +ATOM 62 HB2 PRO I 4 -2.371 6.864 -4.411 1.00 0.00 H +ATOM 63 HG3 PRO I 4 -0.034 6.517 -5.774 1.00 0.00 H +ATOM 64 HG2 PRO I 4 -0.222 7.657 -4.390 1.00 0.00 H +ATOM 65 HD2 PRO I 4 0.527 9.174 -5.892 1.00 0.00 H +ATOM 66 HD3 PRO I 4 -0.137 8.191 -7.333 1.00 0.00 H +ATOM 67 N ARG I 5 -4.670 8.765 -4.432 1.00 3.00 N +ATOM 68 CA ARG I 5 -5.578 9.376 -3.503 1.00 13.81 C +ATOM 69 C ARG I 5 -5.641 8.642 -2.201 1.00 3.00 C +ATOM 70 O ARG I 5 -6.709 8.602 -1.603 1.00 3.00 O +ATOM 71 CB ARG I 5 -6.926 9.838 -4.111 1.00 3.00 C +ATOM 72 CG ARG I 5 -6.623 10.964 -5.148 1.00 4.47 C +ATOM 73 CD ARG I 5 -7.810 11.434 -5.988 1.00 3.00 C +ATOM 74 NE ARG I 5 -7.337 12.641 -6.614 1.00 3.00 N +ATOM 75 CZ ARG I 5 -8.129 13.331 -7.396 1.00 6.07 C +ATOM 76 NH1 ARG I 5 -9.333 12.895 -7.694 1.00 4.50 N +ATOM 77 NH2 ARG I 5 -7.793 14.501 -7.862 1.00 5.62 N1+ +ATOM 78 H ARG I 5 -5.067 8.068 -5.046 1.00 0.00 H +ATOM 79 HA ARG I 5 -5.083 10.311 -3.243 1.00 0.00 H +ATOM 80 HB3 ARG I 5 -7.563 10.235 -3.320 1.00 0.00 H +ATOM 81 HB2 ARG I 5 -7.404 8.998 -4.615 1.00 0.00 H +ATOM 82 HG3 ARG I 5 -5.821 10.636 -5.810 1.00 0.00 H +ATOM 83 HG2 ARG I 5 -6.185 11.819 -4.634 1.00 0.00 H +ATOM 84 HD3 ARG I 5 -8.645 11.673 -5.330 1.00 0.00 H +ATOM 85 HD2 ARG I 5 -8.026 10.691 -6.755 1.00 0.00 H +ATOM 86 HE ARG I 5 -6.391 12.954 -6.449 1.00 0.00 H +ATOM 87 HH12 ARG I 5 -9.932 13.439 -8.299 1.00 0.00 H +ATOM 88 HH11 ARG I 5 -9.660 12.016 -7.319 1.00 0.00 H +ATOM 89 HH22 ARG I 5 -8.429 15.006 -8.463 1.00 0.00 H +ATOM 90 HH21 ARG I 5 -6.898 14.903 -7.622 1.00 0.00 H +ATOM 91 N ILE I 6 -4.537 8.016 -1.844 1.00 3.77 N +ATOM 92 CA ILE I 6 -4.564 7.288 -0.487 1.00 3.00 C +ATOM 93 C ILE I 6 -4.248 8.297 0.635 1.00 9.34 C +ATOM 94 O ILE I 6 -3.464 9.270 0.449 1.00 5.14 O +ATOM 95 CB ILE I 6 -3.491 6.115 -0.463 1.00 7.04 C +ATOM 96 CG1 ILE I 6 -3.400 5.301 0.844 1.00 3.00 C +ATOM 97 CG2 ILE I 6 -2.102 6.616 -0.996 1.00 3.10 C +ATOM 98 CD1 ILE I 6 -2.524 4.065 0.639 1.00 4.89 C +ATOM 99 H ILE I 6 -3.730 8.031 -2.451 1.00 0.00 H +ATOM 100 HA ILE I 6 -5.558 6.869 -0.324 1.00 0.00 H +ATOM 101 HB ILE I 6 -3.837 5.403 -1.212 1.00 0.00 H +ATOM 102 HG13 ILE I 6 -4.399 4.991 1.149 1.00 0.00 H +ATOM 103 HG12 ILE I 6 -2.971 5.924 1.630 1.00 0.00 H +ATOM 104 HG21 ILE I 6 -1.385 5.796 -0.969 1.00 0.00 H +ATOM 105 HG22 ILE I 6 -2.211 6.970 -2.021 1.00 0.00 H +ATOM 106 HG23 ILE I 6 -1.744 7.431 -0.367 1.00 0.00 H +ATOM 107 HD11 ILE I 6 -2.468 3.500 1.569 1.00 0.00 H +ATOM 108 HD12 ILE I 6 -2.956 3.438 -0.141 1.00 0.00 H +ATOM 109 HD13 ILE I 6 -1.522 4.375 0.342 1.00 0.00 H +ATOM 110 N LEU I 7 -4.843 8.000 1.815 1.00 11.09 N +ATOM 111 CA LEU I 7 -4.509 8.848 2.988 1.00 3.00 C +ATOM 112 C LEU I 7 -3.249 8.256 3.601 1.00 12.66 C +ATOM 113 O LEU I 7 -3.256 7.077 3.962 1.00 4.25 O +ATOM 114 CB LEU I 7 -5.619 8.775 4.046 1.00 7.89 C +ATOM 115 CG LEU I 7 -5.382 9.672 5.321 1.00 13.86 C +ATOM 116 CD1 LEU I 7 -5.018 11.087 4.898 1.00 13.88 C +ATOM 117 CD2 LEU I 7 -6.678 9.810 6.153 1.00 5.11 C +ATOM 118 H LEU I 7 -5.488 7.225 1.874 1.00 0.00 H +ATOM 119 HA LEU I 7 -4.338 9.879 2.681 1.00 0.00 H +ATOM 120 HB3 LEU I 7 -5.756 7.739 4.355 1.00 0.00 H +ATOM 121 HB2 LEU I 7 -6.571 9.043 3.589 1.00 0.00 H +ATOM 122 HG LEU I 7 -4.587 9.248 5.934 1.00 0.00 H +ATOM 123 HD11 LEU I 7 -4.856 11.701 5.784 1.00 0.00 H +ATOM 124 HD12 LEU I 7 -4.107 11.065 4.300 1.00 0.00 H +ATOM 125 HD13 LEU I 7 -5.830 11.511 4.307 1.00 0.00 H +ATOM 126 HD21 LEU I 7 -6.485 10.433 7.026 1.00 0.00 H +ATOM 127 HD22 LEU I 7 -7.455 10.270 5.543 1.00 0.00 H +ATOM 128 HD23 LEU I 7 -7.009 8.823 6.478 1.00 0.00 H +ATOM 129 N MET I 8 -2.149 9.036 3.541 1.00 8.64 N +ATOM 130 CA MET I 8 -0.874 8.555 4.019 1.00 3.00 C +ATOM 131 C MET I 8 -0.152 9.618 4.864 1.00 11.88 C +ATOM 132 O MET I 8 0.031 10.763 4.424 1.00 4.49 O +ATOM 133 CB MET I 8 -0.051 8.097 2.809 1.00 5.23 C +ATOM 134 CG MET I 8 1.358 7.561 3.117 1.00 12.17 C +ATOM 135 SD MET I 8 2.225 6.692 1.704 1.00 24.21 S +ATOM 136 CE MET I 8 0.788 5.824 1.016 1.00 21.40 C +ATOM 137 H MET I 8 -2.212 9.969 3.158 1.00 0.00 H +ATOM 138 HA MET I 8 -1.056 7.686 4.652 1.00 0.00 H +ATOM 139 HB3 MET I 8 0.024 8.916 2.094 1.00 0.00 H +ATOM 140 HB2 MET I 8 -0.611 7.341 2.259 1.00 0.00 H +ATOM 141 HG3 MET I 8 1.309 6.892 3.976 1.00 0.00 H +ATOM 142 HG2 MET I 8 1.984 8.379 3.474 1.00 0.00 H +ATOM 143 HE1 MET I 8 1.096 5.238 0.150 1.00 0.00 H +ATOM 144 HE2 MET I 8 0.367 5.161 1.772 1.00 0.00 H +ATOM 145 HE3 MET I 8 0.035 6.551 0.712 1.00 0.00 H +ATOM 146 N GLU I 9 0.128 9.247 6.131 1.00 7.23 N +ATOM 147 CA GLU I 9 0.891 10.154 7.041 1.00 26.64 C +ATOM 148 C GLU I 9 2.303 10.332 6.482 1.00 23.44 C +ATOM 149 O GLU I 9 2.879 9.392 5.930 1.00 15.55 O +ATOM 150 CB GLU I 9 0.991 9.492 8.441 1.00 10.59 C +ATOM 151 CG GLU I 9 -0.221 9.794 9.339 1.00 28.46 C +ATOM 152 CD GLU I 9 -0.328 8.814 10.515 1.00 17.54 C +ATOM 153 OE1 GLU I 9 0.586 8.661 11.346 1.00 29.40 O +ATOM 154 OE2 GLU I 9 -1.341 8.113 10.689 1.00 26.45 O1- +ATOM 155 H GLU I 9 -0.178 8.347 6.472 1.00 0.00 H +ATOM 156 HA GLU I 9 0.391 11.120 7.116 1.00 0.00 H +ATOM 157 HB3 GLU I 9 1.902 9.829 8.936 1.00 0.00 H +ATOM 158 HB2 GLU I 9 1.096 8.413 8.325 1.00 0.00 H +ATOM 159 HG3 GLU I 9 -1.133 9.748 8.745 1.00 0.00 H +ATOM 160 HG2 GLU I 9 -0.144 10.812 9.722 1.00 0.00 H +ATOM 161 N CYS I 10 2.906 11.495 6.625 1.00 6.88 N +ATOM 162 CA CYS I 10 4.330 11.490 6.237 1.00 5.74 C +ATOM 163 C CYS I 10 5.131 12.453 7.137 1.00 33.94 C +ATOM 164 O CYS I 10 4.552 13.385 7.700 1.00 14.26 O +ATOM 165 CB CYS I 10 4.373 11.934 4.780 1.00 3.00 C +ATOM 166 SG CYS I 10 3.465 13.474 4.537 1.00 5.50 S +ATOM 167 H CYS I 10 2.392 12.291 6.974 1.00 0.00 H +ATOM 168 HA CYS I 10 4.733 10.481 6.326 1.00 0.00 H +ATOM 169 HB3 CYS I 10 3.942 11.155 4.151 1.00 0.00 H +ATOM 170 HB2 CYS I 10 5.410 12.071 4.473 1.00 0.00 H +ATOM 171 N LYS I 11 6.445 12.443 7.029 1.00 23.70 N +ATOM 172 CA LYS I 11 7.264 13.544 7.607 1.00 11.76 C +ATOM 173 C LYS I 11 8.141 14.224 6.559 1.00 12.95 C +ATOM 174 O LYS I 11 8.540 15.388 6.721 1.00 12.13 O +ATOM 175 CB LYS I 11 8.198 12.996 8.680 1.00 17.39 C +ATOM 176 CG LYS I 11 7.471 12.823 10.018 1.00 30.12 C +ATOM 177 CD LYS I 11 8.449 12.518 11.169 0.00 32.78 C +ATOM 178 CE LYS I 11 7.972 11.354 12.062 1.00 39.14 C +ATOM 179 NZ LYS I 11 8.448 10.089 11.526 1.00 43.85 N1+ +ATOM 180 H LYS I 11 6.907 11.684 6.549 1.00 0.00 H +ATOM 181 HA LYS I 11 6.602 14.285 8.054 1.00 0.00 H +ATOM 182 HB3 LYS I 11 9.040 13.676 8.810 1.00 0.00 H +ATOM 183 HB2 LYS I 11 8.597 12.034 8.357 1.00 0.00 H +ATOM 184 HG3 LYS I 11 6.745 12.014 9.935 1.00 0.00 H +ATOM 185 HG2 LYS I 11 6.913 13.731 10.248 1.00 0.00 H +ATOM 186 HD3 LYS I 11 8.581 13.412 11.779 1.00 0.00 H +ATOM 187 HD2 LYS I 11 9.430 12.280 10.757 1.00 0.00 H +ATOM 188 HE3 LYS I 11 6.883 11.347 12.098 1.00 0.00 H +ATOM 189 HE2 LYS I 11 8.360 11.490 13.072 1.00 0.00 H +ATOM 190 HZ1 LYS I 11 8.132 9.333 12.116 1.00 0.00 H +ATOM 191 HZ2 LYS I 11 8.085 9.961 10.592 1.00 0.00 H +ATOM 192 HZ3 LYS I 11 9.458 10.094 11.497 1.00 0.00 H +ATOM 193 N LYS I 12 8.472 13.448 5.527 1.00 13.80 N +ATOM 194 CA LYS I 12 9.102 14.091 4.400 1.00 13.15 C +ATOM 195 C LYS I 12 8.496 13.671 3.077 1.00 22.23 C +ATOM 196 O LYS I 12 7.787 12.668 3.080 1.00 8.06 O +ATOM 197 CB LYS I 12 10.583 13.815 4.351 1.00 11.87 C +ATOM 198 CG LYS I 12 10.836 12.366 4.594 1.00 11.39 C +ATOM 199 CD LYS I 12 11.912 12.320 5.693 1.00 31.10 C +ATOM 200 CE LYS I 12 13.031 11.479 5.163 1.00 42.73 C +ATOM 201 NZ LYS I 12 12.359 10.296 4.640 1.00 41.01 N1+ +ATOM 202 H LYS I 12 8.280 12.457 5.559 1.00 0.00 H +ATOM 203 HA LYS I 12 8.963 15.167 4.506 1.00 0.00 H +ATOM 204 HB3 LYS I 12 11.087 14.405 5.117 1.00 0.00 H +ATOM 205 HB2 LYS I 12 10.971 14.093 3.372 1.00 0.00 H +ATOM 206 HG3 LYS I 12 11.228 11.910 3.685 1.00 0.00 H +ATOM 207 HG2 LYS I 12 9.924 11.896 4.962 1.00 0.00 H +ATOM 208 HD3 LYS I 12 11.499 11.852 6.586 1.00 0.00 H +ATOM 209 HD2 LYS I 12 12.277 13.329 5.886 1.00 0.00 H +ATOM 210 HE3 LYS I 12 13.685 11.188 5.986 1.00 0.00 H +ATOM 211 HE2 LYS I 12 13.522 12.006 4.344 1.00 0.00 H +ATOM 212 HZ1 LYS I 12 13.044 9.661 4.256 1.00 0.00 H +ATOM 213 HZ2 LYS I 12 11.856 9.837 5.386 1.00 0.00 H +ATOM 214 HZ3 LYS I 12 11.710 10.569 3.916 1.00 0.00 H +ATOM 215 N ASP I 13 8.804 14.483 2.039 1.00 11.51 N +ATOM 216 CA ASP I 13 8.260 14.187 0.700 1.00 8.27 C +ATOM 217 C ASP I 13 8.449 12.716 0.334 1.00 18.87 C +ATOM 218 O ASP I 13 7.561 12.100 -0.244 1.00 27.37 O +ATOM 219 CB ASP I 13 8.880 15.038 -0.423 1.00 24.47 C +ATOM 220 CG ASP I 13 8.356 16.461 -0.319 1.00 13.86 C +ATOM 221 OD1 ASP I 13 7.345 16.768 0.353 1.00 8.36 O +ATOM 222 OD2 ASP I 13 8.947 17.376 -0.918 1.00 10.42 O1- +ATOM 223 H ASP I 13 9.403 15.283 2.184 1.00 0.00 H +ATOM 224 HA ASP I 13 7.189 14.392 0.722 1.00 0.00 H +ATOM 225 HB3 ASP I 13 8.605 14.619 -1.391 1.00 0.00 H +ATOM 226 HB2 ASP I 13 9.965 15.042 -0.318 1.00 0.00 H +ATOM 227 N SER I 14 9.631 12.246 0.643 1.00 5.77 N +ATOM 228 CA SER I 14 10.160 10.918 0.230 1.00 8.51 C +ATOM 229 C SER I 14 9.369 9.807 0.906 1.00 3.52 C +ATOM 230 O SER I 14 9.251 8.715 0.375 1.00 13.85 O +ATOM 231 CB SER I 14 11.648 10.796 0.641 1.00 20.50 C +ATOM 232 OG SER I 14 11.749 10.446 2.025 1.00 24.94 O +ATOM 233 H SER I 14 10.262 12.799 1.205 1.00 0.00 H +ATOM 234 HA SER I 14 10.074 10.815 -0.852 1.00 0.00 H +ATOM 235 HB3 SER I 14 12.151 11.748 0.470 1.00 0.00 H +ATOM 236 HB2 SER I 14 12.130 10.028 0.036 1.00 0.00 H +ATOM 237 HG SER I 14 12.674 10.373 2.270 1.00 0.00 H +ATOM 238 N ASP I 15 8.622 10.184 1.925 1.00 5.92 N +ATOM 239 CA ASP I 15 7.690 9.185 2.489 1.00 10.99 C +ATOM 240 C ASP I 15 6.531 8.829 1.543 1.00 22.47 C +ATOM 241 O ASP I 15 5.776 7.919 1.868 1.00 12.29 O +ATOM 242 CB ASP I 15 7.083 9.738 3.789 1.00 9.99 C +ATOM 243 CG ASP I 15 8.148 9.849 4.897 1.00 13.56 C +ATOM 244 OD1 ASP I 15 9.248 9.252 4.829 1.00 16.33 O +ATOM 245 OD2 ASP I 15 7.931 10.564 5.904 1.00 14.39 O1- +ATOM 246 H ASP I 15 8.701 11.123 2.289 1.00 0.00 H +ATOM 247 HA ASP I 15 8.247 8.277 2.720 1.00 0.00 H +ATOM 248 HB3 ASP I 15 6.280 9.081 4.122 1.00 0.00 H +ATOM 249 HB2 ASP I 15 6.653 10.721 3.599 1.00 0.00 H +ATOM 250 N CYS I 16 6.234 9.685 0.575 1.00 4.27 N +ATOM 251 CA CYS I 16 4.944 9.579 -0.114 1.00 3.00 C +ATOM 252 C CYS I 16 4.961 8.633 -1.320 1.00 11.88 C +ATOM 253 O CYS I 16 6.022 8.463 -1.896 1.00 15.03 O +ATOM 254 CB CYS I 16 4.454 10.963 -0.525 1.00 3.00 C +ATOM 255 SG CYS I 16 4.084 11.919 0.944 1.00 5.76 S +ATOM 256 H CYS I 16 6.895 10.404 0.316 1.00 0.00 H +ATOM 257 HA CYS I 16 4.225 9.180 0.602 1.00 0.00 H +ATOM 258 HB3 CYS I 16 3.554 10.865 -1.131 1.00 0.00 H +ATOM 259 HB2 CYS I 16 5.231 11.467 -1.099 1.00 0.00 H +ATOM 260 N LEU I 17 3.767 8.304 -1.885 1.00 12.85 N +ATOM 261 CA LEU I 17 3.783 7.514 -3.134 1.00 10.24 C +ATOM 262 C LEU I 17 3.969 8.412 -4.352 1.00 6.48 C +ATOM 263 O LEU I 17 3.298 9.425 -4.469 1.00 11.35 O +ATOM 264 CB LEU I 17 2.528 6.670 -3.374 1.00 9.83 C +ATOM 265 CG LEU I 17 2.202 5.544 -2.410 1.00 14.51 C +ATOM 266 CD1 LEU I 17 0.941 4.777 -2.888 1.00 14.44 C +ATOM 267 CD2 LEU I 17 3.396 4.575 -2.384 1.00 22.84 C +ATOM 268 H LEU I 17 2.904 8.599 -1.451 1.00 0.00 H +ATOM 269 HA LEU I 17 4.635 6.836 -3.087 1.00 0.00 H +ATOM 270 HB3 LEU I 17 2.557 6.273 -4.389 1.00 0.00 H +ATOM 271 HB2 LEU I 17 1.665 7.331 -3.455 1.00 0.00 H +ATOM 272 HG LEU I 17 2.032 5.949 -1.413 1.00 0.00 H +ATOM 273 HD11 LEU I 17 0.718 3.972 -2.188 1.00 0.00 H +ATOM 274 HD12 LEU I 17 0.095 5.462 -2.935 1.00 0.00 H +ATOM 275 HD13 LEU I 17 1.124 4.357 -3.877 1.00 0.00 H +ATOM 276 HD21 LEU I 17 3.184 3.756 -1.697 1.00 0.00 H +ATOM 277 HD22 LEU I 17 3.563 4.176 -3.384 1.00 0.00 H +ATOM 278 HD23 LEU I 17 4.288 5.106 -2.051 1.00 0.00 H +ATOM 279 N ALA I 18 4.552 7.830 -5.396 1.00 10.63 N +ATOM 280 CA ALA I 18 4.477 8.417 -6.762 1.00 10.47 C +ATOM 281 C ALA I 18 4.984 9.842 -6.819 1.00 12.73 C +ATOM 282 O ALA I 18 6.002 10.146 -6.226 1.00 19.62 O +ATOM 283 CB ALA I 18 3.107 8.298 -7.503 1.00 3.00 C +ATOM 284 H ALA I 18 5.062 6.967 -5.273 1.00 0.00 H +ATOM 285 HA ALA I 18 5.179 7.838 -7.362 1.00 0.00 H +ATOM 286 HB1 ALA I 18 3.184 8.763 -8.486 1.00 0.00 H +ATOM 287 HB2 ALA I 18 2.846 7.246 -7.619 1.00 0.00 H +ATOM 288 HB3 ALA I 18 2.334 8.802 -6.922 1.00 0.00 H +ATOM 289 N GLU I 19 4.200 10.731 -7.347 1.00 5.57 N +ATOM 290 CA GLU I 19 4.584 12.124 -7.240 1.00 3.00 C +ATOM 291 C GLU I 19 3.626 12.888 -6.353 1.00 3.00 C +ATOM 292 O GLU I 19 3.601 14.119 -6.448 1.00 8.05 O +ATOM 293 CB GLU I 19 4.524 12.831 -8.583 1.00 10.47 C +ATOM 294 CG GLU I 19 5.575 12.264 -9.583 1.00 18.79 C +ATOM 295 CD GLU I 19 4.918 11.821 -10.877 1.00 62.93 C +ATOM 296 OE1 GLU I 19 4.334 12.678 -11.611 1.00 37.65 O +ATOM 297 OE2 GLU I 19 4.949 10.590 -11.190 1.00 52.39 O1- +ATOM 298 H GLU I 19 3.353 10.443 -7.815 1.00 0.00 H +ATOM 299 HA GLU I 19 5.593 12.195 -6.835 1.00 0.00 H +ATOM 300 HB3 GLU I 19 4.699 13.897 -8.439 1.00 0.00 H +ATOM 301 HB2 GLU I 19 3.525 12.722 -9.006 1.00 0.00 H +ATOM 302 HG3 GLU I 19 6.088 11.416 -9.129 1.00 0.00 H +ATOM 303 HG2 GLU I 19 6.321 13.029 -9.798 1.00 0.00 H +ATOM 304 N CYS I 20 3.240 12.213 -5.295 1.00 5.82 N +ATOM 305 CA CYS I 20 2.685 12.993 -4.181 1.00 18.76 C +ATOM 306 C CYS I 20 3.783 13.727 -3.405 1.00 12.93 C +ATOM 307 O CYS I 20 4.844 13.140 -3.230 1.00 14.38 O +ATOM 308 CB CYS I 20 1.959 12.081 -3.201 1.00 4.60 C +ATOM 309 SG CYS I 20 0.486 11.244 -3.844 1.00 6.41 S +ATOM 310 H CYS I 20 3.332 11.208 -5.275 1.00 0.00 H +ATOM 311 HA CYS I 20 1.979 13.724 -4.576 1.00 0.00 H +ATOM 312 HB3 CYS I 20 1.689 12.651 -2.312 1.00 0.00 H +ATOM 313 HB2 CYS I 20 2.657 11.337 -2.817 1.00 0.00 H +ATOM 314 N VAL I 21 3.436 14.776 -2.683 1.00 3.00 N +ATOM 315 CA VAL I 21 4.456 15.348 -1.763 1.00 10.33 C +ATOM 316 C VAL I 21 3.917 15.374 -0.330 1.00 19.31 C +ATOM 317 O VAL I 21 2.723 15.144 -0.145 1.00 9.47 O +ATOM 318 CB VAL I 21 4.789 16.773 -2.244 1.00 3.03 C +ATOM 319 CG1 VAL I 21 5.391 16.787 -3.677 1.00 3.69 C +ATOM 320 CG2 VAL I 21 3.513 17.667 -2.179 1.00 8.57 C +ATOM 321 H VAL I 21 2.506 15.162 -2.768 1.00 0.00 H +ATOM 322 HA VAL I 21 5.357 14.735 -1.798 1.00 0.00 H +ATOM 323 HB VAL I 21 5.530 17.194 -1.564 1.00 0.00 H +ATOM 324 HG11 VAL I 21 5.609 17.814 -3.970 1.00 0.00 H +ATOM 325 HG12 VAL I 21 6.312 16.203 -3.690 1.00 0.00 H +ATOM 326 HG13 VAL I 21 4.676 16.354 -4.376 1.00 0.00 H +ATOM 327 HG21 VAL I 21 3.755 18.673 -2.521 1.00 0.00 H +ATOM 328 HG22 VAL I 21 2.739 17.242 -2.819 1.00 0.00 H +ATOM 329 HG23 VAL I 21 3.150 17.709 -1.152 1.00 0.00 H +ATOM 330 N CYS I 22 4.771 15.650 0.665 1.00 7.02 N +ATOM 331 CA CYS I 22 4.309 15.629 2.043 1.00 3.33 C +ATOM 332 C CYS I 22 3.877 17.011 2.429 1.00 14.48 C +ATOM 333 O CYS I 22 4.724 17.887 2.366 1.00 9.02 O +ATOM 334 CB CYS I 22 5.436 15.295 2.986 1.00 3.00 C +ATOM 335 SG CYS I 22 4.862 15.025 4.687 1.00 6.58 S +ATOM 336 H CYS I 22 5.734 15.873 0.457 1.00 0.00 H +ATOM 337 HA CYS I 22 3.487 14.923 2.162 1.00 0.00 H +ATOM 338 HB3 CYS I 22 6.169 16.102 2.975 1.00 0.00 H +ATOM 339 HB2 CYS I 22 5.953 14.403 2.632 1.00 0.00 H +ATOM 340 N LEU I 23 2.589 17.198 2.689 1.00 10.27 N +ATOM 341 CA LEU I 23 2.219 18.605 2.897 1.00 15.09 C +ATOM 342 C LEU I 23 2.253 18.958 4.387 1.00 23.96 C +ATOM 343 O LEU I 23 2.514 18.078 5.208 1.00 24.44 O +ATOM 344 CB LEU I 23 0.811 18.740 2.343 1.00 4.86 C +ATOM 345 CG LEU I 23 0.867 18.524 0.836 1.00 12.51 C +ATOM 346 CD1 LEU I 23 -0.534 18.231 0.324 1.00 28.01 C +ATOM 347 CD2 LEU I 23 1.494 19.772 0.188 1.00 16.05 C +ATOM 348 H LEU I 23 1.962 16.407 2.730 1.00 0.00 H +ATOM 349 HA LEU I 23 2.900 19.254 2.346 1.00 0.00 H +ATOM 350 HB3 LEU I 23 0.433 19.740 2.553 1.00 0.00 H +ATOM 351 HB2 LEU I 23 0.169 17.983 2.795 1.00 0.00 H +ATOM 352 HG LEU I 23 1.503 17.664 0.628 1.00 0.00 H +ATOM 353 HD11 LEU I 23 -0.501 18.075 -0.755 1.00 0.00 H +ATOM 354 HD12 LEU I 23 -0.918 17.333 0.808 1.00 0.00 H +ATOM 355 HD13 LEU I 23 -1.187 19.073 0.549 1.00 0.00 H +ATOM 356 HD21 LEU I 23 1.542 19.636 -0.892 1.00 0.00 H +ATOM 357 HD22 LEU I 23 0.884 20.646 0.417 1.00 0.00 H +ATOM 358 HD23 LEU I 23 2.500 19.919 0.580 1.00 0.00 H +ATOM 359 N GLU I 24 2.153 20.261 4.636 1.00 11.91 N +ATOM 360 CA GLU I 24 2.106 20.934 5.939 1.00 28.44 C +ATOM 361 C GLU I 24 1.462 20.162 7.120 1.00 27.08 C +ATOM 362 O GLU I 24 2.096 20.144 8.176 1.00 40.03 O +ATOM 363 CB GLU I 24 1.452 22.327 5.745 1.00 42.99 C +ATOM 364 CG GLU I 24 1.661 23.295 6.920 1.00 51.22 C +ATOM 365 CD GLU I 24 0.841 24.556 6.665 0.00 34.20 C +ATOM 366 OE1 GLU I 24 1.068 25.265 5.648 0.00 0.00 O +ATOM 367 OE2 GLU I 24 -0.071 24.894 7.466 0.00 0.00 O1- +ATOM 368 H GLU I 24 2.099 20.918 3.871 1.00 0.00 H +ATOM 369 HA GLU I 24 3.142 21.120 6.224 1.00 0.00 H +ATOM 370 HB3 GLU I 24 0.384 22.203 5.566 1.00 0.00 H +ATOM 371 HB2 GLU I 24 1.833 22.781 4.831 1.00 0.00 H +ATOM 372 HG3 GLU I 24 2.717 23.557 6.991 1.00 0.00 H +ATOM 373 HG2 GLU I 24 1.324 22.824 7.843 1.00 0.00 H +ATOM 374 N HIS I 25 0.272 19.560 7.065 1.00 12.40 N +ATOM 375 CA HIS I 25 -0.212 18.824 8.328 1.00 8.41 C +ATOM 376 C HIS I 25 0.100 17.321 8.348 1.00 33.52 C +ATOM 377 O HIS I 25 -0.470 16.582 9.147 1.00 29.21 O +ATOM 378 CB HIS I 25 -1.714 18.952 8.586 1.00 17.26 C +ATOM 379 CG HIS I 25 -2.072 20.431 8.350 1.00 58.38 C +ATOM 380 ND1 HIS I 25 -2.461 20.897 7.048 1.00 46.25 N +ATOM 381 CD2 HIS I 25 -2.034 21.473 9.212 1.00 40.20 C +ATOM 382 CE1 HIS I 25 -2.747 22.278 7.154 1.00 43.88 C +ATOM 383 NE2 HIS I 25 -2.470 22.616 8.516 1.00 45.93 N +ATOM 384 H HIS I 25 -0.274 19.598 6.217 1.00 0.00 H +ATOM 385 HA HIS I 25 0.301 19.271 9.179 1.00 0.00 H +ATOM 386 HB3 HIS I 25 -1.927 18.688 9.622 1.00 0.00 H +ATOM 387 HB2 HIS I 25 -2.258 18.329 7.875 1.00 0.00 H +ATOM 388 HD1 HIS I 25 -2.488 20.255 6.269 1.00 0.00 H +ATOM 389 HD2 HIS I 25 -1.706 21.320 10.229 1.00 0.00 H +ATOM 390 HE1 HIS I 25 -3.096 22.825 6.290 1.00 0.00 H +ATOM 391 N GLY I 26 1.165 16.959 7.690 1.00 9.40 N +ATOM 392 CA GLY I 26 1.761 15.662 7.904 1.00 3.00 C +ATOM 393 C GLY I 26 1.033 14.588 7.096 1.00 6.20 C +ATOM 394 O GLY I 26 1.155 13.390 7.402 1.00 9.81 O +ATOM 395 H GLY I 26 1.584 17.589 7.021 1.00 0.00 H +ATOM 396 HA3 GLY I 26 1.716 15.412 8.964 1.00 0.00 H +ATOM 397 HA2 GLY I 26 2.810 15.692 7.608 1.00 0.00 H +ATOM 398 N TYR I 27 0.417 15.009 6.040 1.00 3.00 N +ATOM 399 CA TYR I 27 -0.207 14.019 5.138 1.00 3.00 C +ATOM 400 C TYR I 27 0.278 14.217 3.692 1.00 5.39 C +ATOM 401 O TYR I 27 0.430 15.349 3.251 1.00 6.99 O +ATOM 402 CB TYR I 27 -1.728 14.174 5.147 1.00 3.00 C +ATOM 403 CG TYR I 27 -2.365 13.689 6.452 1.00 11.13 C +ATOM 404 CD1 TYR I 27 -2.419 12.339 6.736 1.00 9.16 C +ATOM 405 CD2 TYR I 27 -2.862 14.619 7.343 1.00 4.25 C +ATOM 406 CE1 TYR I 27 -2.949 11.883 7.936 1.00 4.25 C +ATOM 407 CE2 TYR I 27 -3.402 14.177 8.552 1.00 8.50 C +ATOM 408 CZ TYR I 27 -3.432 12.828 8.847 1.00 24.42 C +ATOM 409 OH TYR I 27 -3.958 12.410 10.027 1.00 30.06 O +ATOM 410 H TYR I 27 0.367 15.999 5.846 1.00 0.00 H +ATOM 411 HA TYR I 27 0.055 13.014 5.470 1.00 0.00 H +ATOM 412 HB3 TYR I 27 -2.154 13.621 4.309 1.00 0.00 H +ATOM 413 HB2 TYR I 27 -1.987 15.220 4.985 1.00 0.00 H +ATOM 414 HD1 TYR I 27 -2.046 11.621 6.020 1.00 0.00 H +ATOM 415 HD2 TYR I 27 -2.829 15.671 7.099 1.00 0.00 H +ATOM 416 HE1 TYR I 27 -2.980 10.824 8.144 1.00 0.00 H +ATOM 417 HE2 TYR I 27 -3.799 14.891 9.259 1.00 0.00 H +ATOM 418 HH TYR I 27 -4.243 13.171 10.539 1.00 0.00 H +ATOM 419 N CYS I 28 0.399 13.148 2.931 1.00 9.03 N +ATOM 420 CA CYS I 28 0.723 13.237 1.492 1.00 3.96 C +ATOM 421 C CYS I 28 -0.396 13.871 0.652 1.00 5.72 C +ATOM 422 O CYS I 28 -1.591 13.794 0.995 1.00 3.00 O +ATOM 423 CB CYS I 28 1.032 11.815 0.971 1.00 3.00 C +ATOM 424 SG CYS I 28 2.424 10.986 1.765 1.00 6.81 S +ATOM 425 H CYS I 28 0.271 12.229 3.328 1.00 0.00 H +ATOM 426 HA CYS I 28 1.621 13.845 1.380 1.00 0.00 H +ATOM 427 HB3 CYS I 28 1.201 11.854 -0.105 1.00 0.00 H +ATOM 428 HB2 CYS I 28 0.141 11.194 1.069 1.00 0.00 H +ATOM 429 N GLY I 29 -0.006 14.434 -0.481 1.00 3.00 N +ATOM 430 CA GLY I 29 -1.048 15.094 -1.223 1.00 3.56 C +ATOM 431 C GLY I 29 -0.342 15.683 -2.398 1.00 14.31 C +ATOM 432 O GLY I 29 0.736 15.188 -2.710 1.00 3.00 O +ATOM 433 OXT GLY I 29 -1.011 16.353 -3.214 1.00 11.48 O1- +ATOM 434 H GLY I 29 0.962 14.380 -0.765 1.00 0.00 H +ATOM 435 HA3 GLY I 29 -1.470 15.896 -0.617 1.00 0.00 H +ATOM 436 HA2 GLY I 29 -1.769 14.353 -1.569 1.00 0.00 H +CONECT 48 309 +CONECT 166 335 +CONECT 255 424 +CONECT 309 48 +CONECT 335 166 +CONECT 424 255 +ENDMDL +END diff --git a/test/PDB/1igt.pdb b/test/PDB/1igt.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/1igt.pdb @@ -0,0 +1,14223 @@ +HEADER IMMUNOGLOBULIN 25-OCT-96 1IGT +TITLE STRUCTURE OF IMMUNOGLOBULIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: IGG2A INTACT ANTIBODY - MAB231; +COMPND 3 CHAIN: A, C; +COMPND 4 MOL_ID: 2; +COMPND 5 MOLECULE: IGG2A INTACT ANTIBODY - MAB231; +COMPND 6 CHAIN: B, D +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 4 ORGANISM_TAXID: 10090; +SOURCE 5 STRAIN: BALB/C; +SOURCE 6 OTHER_DETAILS: HYBRIDOMA MONOCLONAL ANTIBODY; +SOURCE 7 MOL_ID: 2; +SOURCE 8 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 9 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 10 ORGANISM_TAXID: 10090; +SOURCE 11 STRAIN: BALB/C; +SOURCE 12 OTHER_DETAILS: HYBRIDOMA MONOCLONAL ANTIBODY +KEYWDS INTACT IMMUNOGLOBULIN V REGION C REGION, IMMUNOGLOBULIN +EXPDTA X-RAY DIFFRACTION +AUTHOR L.J.HARRIS,S.B.LARSON,K.W.HASEL,A.MCPHERSON +REVDAT 3 13-JUL-11 1IGT 1 VERSN +REVDAT 2 24-FEB-09 1IGT 1 VERSN +REVDAT 1 07-JUL-97 1IGT 0 +JRNL AUTH L.J.HARRIS,S.B.LARSON,K.W.HASEL,A.MCPHERSON +JRNL TITL REFINED STRUCTURE OF AN INTACT IGG2A MONOCLONAL ANTIBODY. +JRNL REF BIOCHEMISTRY V. 36 1581 1997 +JRNL REFN ISSN 0006-2960 +JRNL PMID 9048542 +JRNL DOI 10.1021/BI962514+ +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH L.J.HARRIS,S.B.LARSON,K.W.HASEL,J.DAY,A.GREENWOOD, +REMARK 1 AUTH 2 A.MCPHERSON +REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF AN INTACT MONOCLONAL +REMARK 1 TITL 2 ANTIBODY FOR CANINE LYMPHOMA +REMARK 1 REF NATURE V. 360 369 1992 +REMARK 1 REFN ISSN 0028-0836 +REMARK 2 +REMARK 2 RESOLUTION. 2.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 86.2 +REMARK 3 NUMBER OF REFLECTIONS : 41371 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.209 +REMARK 3 FREE R VALUE : 0.297 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 4149 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 6 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.80 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.97 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 62.00 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4482 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3220 +REMARK 3 BIN FREE R VALUE : 0.4170 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 487 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 10214 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 220 +REMARK 3 SOLVENT ATOMS : 0 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 45.50 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 52.00 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.34 +REMARK 3 ESD FROM SIGMAA (A) : 0.56 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.48 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.80 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.009 +REMARK 3 BOND ANGLES (DEGREES) : 1.60 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.10 +REMARK 3 IMPROPER ANGLES (DEGREES) : 1.40 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 5.900 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 9.600 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 7.880 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 11.390; 2.500 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : PARAM3_MOD2.CHO +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 2 : TOPH3.CHO +REMARK 3 TOPOLOGY FILE 3 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED GROUP 1 +REMARK 3 POSITIONAL (CL) (A) : 0.05 ; 200 GROUP 2 POSITIONAL (CH1) (A) : +REMARK 3 0.05 ; 200 GROUP 3 POSITIONAL (CH2) (A) : 0.06 ; 200 GROUP 4 +REMARK 3 POSITIONAL (CH3) (A) : 0.05 ; 200 BACKBONE ATOMS ONLY WERE +REMARK 3 RESTRAINED BY NCS AND RESIDUES INVOLVED IN PACKING WERE NOT +REMARK 3 RESTRAINED. NCS B-FACTOR RESTRAINTS WERE NOT EMPLOYED. +REMARK 4 +REMARK 4 1IGT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NOV-92 +REMARK 200 TEMPERATURE (KELVIN) : 291 +REMARK 200 PH : 8.0 +REMARK 200 NUMBER OF CRYSTALS USED : 13 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : SUPPER GRAPHITE CRYSTAL +REMARK 200 ASYMMETRIC CUT TRIANGULAR BENT +REMARK 200 CRYSTAL (SI-111) +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : AREA DETECTOR +REMARK 200 DETECTOR MANUFACTURER : XUONG-HAMLIN MULTIWIRE +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XENGEN (HOWARD, NIELSEN, XUONG) +REMARK 200 DATA SCALING SOFTWARE : XENGEN (HOWARD, NIELSEN, XUONG) +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 47595 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 76.100 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 +REMARK 200 DATA REDUNDANCY : 4.400 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.10000 +REMARK 200 FOR THE DATA SET : 7.1000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: VL:VH DOMAIN PAIR OF PDB ENTRY 1MCP, CL:CH1 DOMAIN +REMARK 200 PAIR OF ENTRY 2HFL, FC FRAGMENT OF ENTRY 1FC1 +REMARK 200 +REMARK 200 REMARK: THE MULTIWIRE AND SYNCHROTRON DATA SETS WERE CUT AT F > +REMARK 200 4SIGMA, AND THEN MERGED TO YIELD THE FINAL REDUCED DATA SET OF +REMARK 200 41371 UNIQUE REFLECTIONS AT 2.8-20 A; RMERGE = 6.7%. THIS +REMARK 200 COMBINED DATA WAS USED FOR REFINEMENT. +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 63.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.36 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 7 MICROLITERS OF 4.3 MG/ML MAB231, 3 +REMARK 280 MICROLITERS 50 MILLIMOLAR TRIS PH 8.0, AND 7 MICROLITERS 4% PEG +REMARK 280 3350 EQUILIBRATED AGAINST 25 ML RESERVOIRS OF 4% PEG 3350, AT 18 +REMARK 280 DEGREE CELSIUS (SANDWICH PLATE)., TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: THERE IS ONE ENTIRE ANTIBODY MOLECULE PER ASYMMETRIC UNIT. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 16590 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 64330 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -21.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 480 +REMARK 480 ZERO OCCUPANCY ATOM +REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 480 M RES C SSEQI ATOMS +REMARK 480 ASN B 246 CG OD1 ND2 +REMARK 480 LEU B 247 CG CD1 CD2 +REMARK 480 LEU B 248 CG CD1 CD2 +REMARK 480 ASN D 246 CG OD1 ND2 +REMARK 480 LEU D 247 CG CD1 CD2 +REMARK 480 LEU D 248 CG CD1 CD2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O4 NAG B 475 H1 NAG B 477 0.96 +REMARK 500 O4 NAG D 475 H1 NAG D 477 1.06 +REMARK 500 HZ1 LYS D 384 HE21 GLN D 385 1.38 +REMARK 500 HD22 ASN B 246 H LEU B 247 1.42 +REMARK 500 H SER B 317 H THR B 318 1.49 +REMARK 500 H SER D 317 H THR D 318 1.52 +REMARK 500 HE2 HIS B 95 H TYR B 100I 1.52 +REMARK 500 H ILE C 106 HE21 GLN C 166 1.53 +REMARK 500 H61 NAG B 475 HN2 NAG B 477 1.60 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO A 8 -148.83 -78.01 +REMARK 500 SER A 26 -73.88 -59.28 +REMARK 500 ASN A 30 -87.04 56.01 +REMARK 500 VAL A 31 10.92 -150.98 +REMARK 500 PRO A 40 106.98 -29.42 +REMARK 500 ALA A 51 -52.65 48.55 +REMARK 500 VAL A 58 99.35 -31.67 +REMARK 500 SER A 60 -32.86 -37.54 +REMARK 500 ARG A 61 -8.37 -55.63 +REMARK 500 SER A 67 140.61 -177.88 +REMARK 500 SER A 77 63.46 39.07 +REMARK 500 LEU A 78 112.12 -38.69 +REMARK 500 PRO A 80 -49.04 -20.60 +REMARK 500 GLU A 81 31.46 -73.16 +REMARK 500 ILE A 83 106.11 -52.40 +REMARK 500 ALA A 84 -163.97 -165.65 +REMARK 500 ASN A 138 91.27 19.10 +REMARK 500 ILE A 150 -119.00 -83.81 +REMARK 500 SER A 153 42.86 -158.93 +REMARK 500 LYS A 199 -43.41 -26.57 +REMARK 500 LYS B 43 8.61 83.34 +REMARK 500 ASN B 73 67.26 -67.62 +REMARK 500 ALA B 74 -61.95 -161.56 +REMARK 500 SER B 113 38.65 -98.28 +REMARK 500 ASP B 130 89.17 -41.05 +REMARK 500 SER B 136 -45.12 -156.81 +REMARK 500 PRO B 149 -168.60 -105.20 +REMARK 500 SER B 167 -5.47 -144.96 +REMARK 500 SER B 180 81.99 46.51 +REMARK 500 ASP B 183 -14.49 62.45 +REMARK 500 SER B 195 148.30 86.11 +REMARK 500 SER B 196 75.02 -61.30 +REMARK 500 SER B 202 -75.01 -70.76 +REMARK 500 SER B 204 171.68 -55.64 +REMARK 500 PRO B 230 154.72 -44.92 +REMARK 500 CYS B 237 90.64 80.22 +REMARK 500 LYS B 241 35.32 -87.31 +REMARK 500 CYS B 242 97.68 43.58 +REMARK 500 PRO B 243 83.09 -64.75 +REMARK 500 PRO B 245 55.93 -69.89 +REMARK 500 LEU B 247 -172.82 -179.75 +REMARK 500 VAL B 301 61.15 -118.64 +REMARK 500 HIS B 302 106.82 -52.44 +REMARK 500 THR B 303 -86.84 91.38 +REMARK 500 ALA B 304 22.18 46.07 +REMARK 500 GLN B 305 33.79 78.39 +REMARK 500 HIS B 309 142.52 175.15 +REMARK 500 TYR B 313 -138.12 -155.47 +REMARK 500 SER B 317 -10.12 170.82 +REMARK 500 SER B 334 32.03 -77.68 +REMARK 500 +REMARK 500 THIS ENTRY HAS 123 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 TYR D 35 0.08 SIDE CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CHIRAL CENTERS +REMARK 500 +REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL +REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY +REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR +REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE +REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) +REMARK 500 +REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS +REMARK 500 TRP B 199 24.4 L L OUTSIDE RANGE +REMARK 500 CYS B 237 24.5 L L OUTSIDE RANGE +REMARK 500 LYS D 43 24.0 L L OUTSIDE RANGE +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG B 475 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FUL B 476 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG B 477 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BMA B 478 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN B 479 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG B 480 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAL B 481 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN B 482 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG B 483 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG D 475 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FUC D 476 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG D 477 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BMA D 478 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN D 479 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG D 480 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAL D 481 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MAN D 482 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAG D 483 +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 THE INTACT ANTIBODY IS NUMBERED ACCORDING TO THE CONVENTION +REMARK 999 OF E. KABAT [KABAT ET AL. (1991) SEQUENCES OF PROTEINS OF +REMARK 999 IMMUNOLOGICAL INTEREST, 5TH ED., NATIONAL INSTITUTES OF +REMARK 999 HEALTH, BETHESDA, MD]. +DBREF 1IGT B 114 474 UNP P01863 GCAA_MOUSE 1 326 +DBREF 1IGT D 114 474 UNP P01863 GCAA_MOUSE 1 326 +DBREF 1IGT A 1 214 PDB 1IGT 1IGT 1 214 +DBREF 1IGT C 1 214 PDB 1IGT 1IGT 1 214 +SEQRES 1 A 214 ASP ILE VAL LEU THR GLN SER PRO SER SER LEU SER ALA +SEQRES 2 A 214 SER LEU GLY ASP THR ILE THR ILE THR CYS HIS ALA SER +SEQRES 3 A 214 GLN ASN ILE ASN VAL TRP LEU SER TRP TYR GLN GLN LYS +SEQRES 4 A 214 PRO GLY ASN ILE PRO LYS LEU LEU ILE TYR LYS ALA SER +SEQRES 5 A 214 ASN LEU HIS THR GLY VAL PRO SER ARG PHE SER GLY SER +SEQRES 6 A 214 GLY SER GLY THR GLY PHE THR LEU THR ILE SER SER LEU +SEQRES 7 A 214 GLN PRO GLU ASP ILE ALA THR TYR TYR CYS GLN GLN GLY +SEQRES 8 A 214 GLN SER TYR PRO LEU THR PHE GLY GLY GLY THR LYS LEU +SEQRES 9 A 214 GLU ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE +SEQRES 10 A 214 PHE PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA +SEQRES 11 A 214 SER VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP +SEQRES 12 A 214 ILE ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN +SEQRES 13 A 214 ASN GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS +SEQRES 14 A 214 ASP SER THR TYR SER MET SER SER THR LEU THR LEU THR +SEQRES 15 A 214 LYS ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU +SEQRES 16 A 214 ALA THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER +SEQRES 17 A 214 PHE ASN ARG ASN GLU CYS +SEQRES 1 B 444 GLU VAL LYS LEU GLN GLU SER GLY GLY GLY LEU VAL GLN +SEQRES 2 B 444 PRO GLY GLY SER LEU LYS LEU SER CYS ALA THR SER GLY +SEQRES 3 B 444 PHE THR PHE SER ASP TYR TYR MET TYR TRP VAL ARG GLN +SEQRES 4 B 444 THR PRO GLU LYS ARG LEU GLU TRP VAL ALA TYR ILE SER +SEQRES 5 B 444 ASN GLY GLY GLY SER THR TYR TYR PRO ASP THR VAL LYS +SEQRES 6 B 444 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN THR +SEQRES 7 B 444 LEU TYR LEU GLN MET SER ARG LEU LYS SER GLU ASP THR +SEQRES 8 B 444 ALA MET TYR TYR CYS ALA ARG HIS GLY GLY TYR TYR ALA +SEQRES 9 B 444 MET ASP TYR TRP GLY GLN GLY THR THR VAL THR VAL SER +SEQRES 10 B 444 SER ALA LYS THR THR ALA PRO SER VAL TYR PRO LEU ALA +SEQRES 11 B 444 PRO VAL CYS GLY ASP THR THR GLY SER SER VAL THR LEU +SEQRES 12 B 444 GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU PRO VAL THR +SEQRES 13 B 444 LEU THR TRP ASN SER GLY SER LEU SER SER GLY VAL HIS +SEQRES 14 B 444 THR PHE PRO ALA VAL LEU GLN SER ASP LEU TYR THR LEU +SEQRES 15 B 444 SER SER SER VAL THR VAL THR SER SER THR TRP PRO SER +SEQRES 16 B 444 GLN SER ILE THR CYS ASN VAL ALA HIS PRO ALA SER SER +SEQRES 17 B 444 THR LYS VAL ASP LYS LYS ILE GLU PRO ARG GLY PRO THR +SEQRES 18 B 444 ILE LYS PRO CYS PRO PRO CYS LYS CYS PRO ALA PRO ASN +SEQRES 19 B 444 LEU LEU GLY GLY PRO SER VAL PHE ILE PHE PRO PRO LYS +SEQRES 20 B 444 ILE LYS ASP VAL LEU MET ILE SER LEU SER PRO ILE VAL +SEQRES 21 B 444 THR CYS VAL VAL VAL ASP VAL SER GLU ASP ASP PRO ASP +SEQRES 22 B 444 VAL GLN ILE SER TRP PHE VAL ASN ASN VAL GLU VAL HIS +SEQRES 23 B 444 THR ALA GLN THR GLN THR HIS ARG GLU ASP TYR ASN SER +SEQRES 24 B 444 THR LEU ARG VAL VAL SER ALA LEU PRO ILE GLN HIS GLN +SEQRES 25 B 444 ASP TRP MET SER GLY LYS GLU PHE LYS CYS LYS VAL ASN +SEQRES 26 B 444 ASN LYS ASP LEU PRO ALA PRO ILE GLU ARG THR ILE SER +SEQRES 27 B 444 LYS PRO LYS GLY SER VAL ARG ALA PRO GLN VAL TYR VAL +SEQRES 28 B 444 LEU PRO PRO PRO GLU GLU GLU MET THR LYS LYS GLN VAL +SEQRES 29 B 444 THR LEU THR CYS MET VAL THR ASP PHE MET PRO GLU ASP +SEQRES 30 B 444 ILE TYR VAL GLU TRP THR ASN ASN GLY LYS THR GLU LEU +SEQRES 31 B 444 ASN TYR LYS ASN THR GLU PRO VAL LEU ASP SER ASP GLY +SEQRES 32 B 444 SER TYR PHE MET TYR SER LYS LEU ARG VAL GLU LYS LYS +SEQRES 33 B 444 ASN TRP VAL GLU ARG ASN SER TYR SER CYS SER VAL VAL +SEQRES 34 B 444 HIS GLU GLY LEU HIS ASN HIS HIS THR THR LYS SER PHE +SEQRES 35 B 444 SER ARG +SEQRES 1 C 214 ASP ILE VAL LEU THR GLN SER PRO SER SER LEU SER ALA +SEQRES 2 C 214 SER LEU GLY ASP THR ILE THR ILE THR CYS HIS ALA SER +SEQRES 3 C 214 GLN ASN ILE ASN VAL TRP LEU SER TRP TYR GLN GLN LYS +SEQRES 4 C 214 PRO GLY ASN ILE PRO LYS LEU LEU ILE TYR LYS ALA SER +SEQRES 5 C 214 ASN LEU HIS THR GLY VAL PRO SER ARG PHE SER GLY SER +SEQRES 6 C 214 GLY SER GLY THR GLY PHE THR LEU THR ILE SER SER LEU +SEQRES 7 C 214 GLN PRO GLU ASP ILE ALA THR TYR TYR CYS GLN GLN GLY +SEQRES 8 C 214 GLN SER TYR PRO LEU THR PHE GLY GLY GLY THR LYS LEU +SEQRES 9 C 214 GLU ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE +SEQRES 10 C 214 PHE PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA +SEQRES 11 C 214 SER VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP +SEQRES 12 C 214 ILE ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN +SEQRES 13 C 214 ASN GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS +SEQRES 14 C 214 ASP SER THR TYR SER MET SER SER THR LEU THR LEU THR +SEQRES 15 C 214 LYS ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU +SEQRES 16 C 214 ALA THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER +SEQRES 17 C 214 PHE ASN ARG ASN GLU CYS +SEQRES 1 D 444 GLU VAL LYS LEU GLN GLU SER GLY GLY GLY LEU VAL GLN +SEQRES 2 D 444 PRO GLY GLY SER LEU LYS LEU SER CYS ALA THR SER GLY +SEQRES 3 D 444 PHE THR PHE SER ASP TYR TYR MET TYR TRP VAL ARG GLN +SEQRES 4 D 444 THR PRO GLU LYS ARG LEU GLU TRP VAL ALA TYR ILE SER +SEQRES 5 D 444 ASN GLY GLY GLY SER THR TYR TYR PRO ASP THR VAL LYS +SEQRES 6 D 444 GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN THR +SEQRES 7 D 444 LEU TYR LEU GLN MET SER ARG LEU LYS SER GLU ASP THR +SEQRES 8 D 444 ALA MET TYR TYR CYS ALA ARG HIS GLY GLY TYR TYR ALA +SEQRES 9 D 444 MET ASP TYR TRP GLY GLN GLY THR THR VAL THR VAL SER +SEQRES 10 D 444 SER ALA LYS THR THR ALA PRO SER VAL TYR PRO LEU ALA +SEQRES 11 D 444 PRO VAL CYS GLY ASP THR THR GLY SER SER VAL THR LEU +SEQRES 12 D 444 GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU PRO VAL THR +SEQRES 13 D 444 LEU THR TRP ASN SER GLY SER LEU SER SER GLY VAL HIS +SEQRES 14 D 444 THR PHE PRO ALA VAL LEU GLN SER ASP LEU TYR THR LEU +SEQRES 15 D 444 SER SER SER VAL THR VAL THR SER SER THR TRP PRO SER +SEQRES 16 D 444 GLN SER ILE THR CYS ASN VAL ALA HIS PRO ALA SER SER +SEQRES 17 D 444 THR LYS VAL ASP LYS LYS ILE GLU PRO ARG GLY PRO THR +SEQRES 18 D 444 ILE LYS PRO CYS PRO PRO CYS LYS CYS PRO ALA PRO ASN +SEQRES 19 D 444 LEU LEU GLY GLY PRO SER VAL PHE ILE PHE PRO PRO LYS +SEQRES 20 D 444 ILE LYS ASP VAL LEU MET ILE SER LEU SER PRO ILE VAL +SEQRES 21 D 444 THR CYS VAL VAL VAL ASP VAL SER GLU ASP ASP PRO ASP +SEQRES 22 D 444 VAL GLN ILE SER TRP PHE VAL ASN ASN VAL GLU VAL HIS +SEQRES 23 D 444 THR ALA GLN THR GLN THR HIS ARG GLU ASP TYR ASN SER +SEQRES 24 D 444 THR LEU ARG VAL VAL SER ALA LEU PRO ILE GLN HIS GLN +SEQRES 25 D 444 ASP TRP MET SER GLY LYS GLU PHE LYS CYS LYS VAL ASN +SEQRES 26 D 444 ASN LYS ASP LEU PRO ALA PRO ILE GLU ARG THR ILE SER +SEQRES 27 D 444 LYS PRO LYS GLY SER VAL ARG ALA PRO GLN VAL TYR VAL +SEQRES 28 D 444 LEU PRO PRO PRO GLU GLU GLU MET THR LYS LYS GLN VAL +SEQRES 29 D 444 THR LEU THR CYS MET VAL THR ASP PHE MET PRO GLU ASP +SEQRES 30 D 444 ILE TYR VAL GLU TRP THR ASN ASN GLY LYS THR GLU LEU +SEQRES 31 D 444 ASN TYR LYS ASN THR GLU PRO VAL LEU ASP SER ASP GLY +SEQRES 32 D 444 SER TYR PHE MET TYR SER LYS LEU ARG VAL GLU LYS LYS +SEQRES 33 D 444 ASN TRP VAL GLU ARG ASN SER TYR SER CYS SER VAL VAL +SEQRES 34 D 444 HIS GLU GLY LEU HIS ASN HIS HIS THR THR LYS SER PHE +SEQRES 35 D 444 SER ARG +MODRES 1IGT ASN B 314 ASN GLYCOSYLATION SITE +MODRES 1IGT ASN D 314 ASN GLYCOSYLATION SITE +HET NAG B 475 26 +HET FUL B 476 21 +HET NAG B 477 27 +HET BMA B 478 20 +HET MAN B 479 21 +HET NAG B 480 27 +HET GAL B 481 22 +HET MAN B 482 21 +HET NAG B 483 28 +HET NAG D 475 26 +HET FUC D 476 21 +HET NAG D 477 27 +HET BMA D 478 20 +HET MAN D 479 21 +HET NAG D 480 27 +HET GAL D 481 22 +HET MAN D 482 21 +HET NAG D 483 28 +HETNAM NAG N-ACETYL-D-GLUCOSAMINE +HETNAM FUL BETA-L-FUCOSE +HETNAM BMA BETA-D-MANNOSE +HETNAM MAN ALPHA-D-MANNOSE +HETNAM GAL BETA-D-GALACTOSE +HETNAM FUC ALPHA-L-FUCOSE +HETSYN FUL 6-DEOXY-BETA-L-GALACTOSE +FORMUL 5 NAG 8(C8 H15 N O6) +FORMUL 5 FUL C6 H12 O5 +FORMUL 5 BMA 2(C6 H12 O6) +FORMUL 5 MAN 4(C6 H12 O6) +FORMUL 5 GAL 2(C6 H12 O6) +FORMUL 6 FUC C6 H12 O5 +HELIX 1 1 PRO A 80 ASP A 82 5 3 +HELIX 2 2 SER A 122 SER A 127 1 6 +HELIX 3 3 LYS A 183 GLU A 187 1 5 +HELIX 4 4 PHE B 29 ASP B 31 5 3 +HELIX 5 5 ASP B 61 VAL B 63 5 3 +HELIX 6 6 SER B 84 ASP B 86 5 3 +HELIX 7 7 ASN B 162 GLY B 164 5 3 +HELIX 8 8 ILE B 260 LEU B 264 1 5 +HELIX 9 9 VAL B 292 ASN B 296 5 3 +HELIX 10 10 HIS B 329 MET B 333 1 5 +HELIX 11 11 GLU B 377 GLU B 379 5 3 +HELIX 12 12 LYS B 445 VAL B 449 1 5 +HELIX 13 13 HIS B 464 HIS B 466 5 3 +HELIX 14 14 LYS C 50 SER C 52 5 3 +HELIX 15 15 PRO C 80 ASP C 82 5 3 +HELIX 16 16 SER C 122 SER C 127 1 6 +HELIX 17 17 LYS C 183 GLU C 187 1 5 +HELIX 18 18 PHE D 29 ASP D 31 5 3 +HELIX 19 19 ASN D 73 LYS D 75 5 3 +HELIX 20 20 SER D 84 ASP D 86 5 3 +HELIX 21 21 ASN D 162 GLY D 164 5 3 +HELIX 22 22 TRP D 199 SER D 202 5 3 +HELIX 23 23 ILE D 260 LEU D 264 1 5 +HELIX 24 24 VAL D 292 ASN D 296 5 3 +HELIX 25 25 HIS D 329 SER D 334 1 6 +HELIX 26 26 GLU D 377 GLU D 379 5 3 +HELIX 27 27 LYS D 445 VAL D 449 1 5 +SHEET 1 A 4 LEU A 4 SER A 7 0 +SHEET 2 A 4 ILE A 19 HIS A 24 -1 N HIS A 24 O THR A 5 +SHEET 3 A 4 GLY A 70 ILE A 75 -1 N ILE A 75 O ILE A 19 +SHEET 4 A 4 PHE A 62 SER A 67 -1 N SER A 67 O GLY A 70 +SHEET 1 B 5 THR A 102 ILE A 106 0 +SHEET 2 B 5 THR A 85 GLN A 90 -1 N TYR A 86 O THR A 102 +SHEET 3 B 5 LEU A 33 GLN A 38 -1 N GLN A 38 O THR A 85 +SHEET 4 B 5 LYS A 45 ILE A 48 -1 N ILE A 48 O TRP A 35 +SHEET 5 B 5 ASN A 53 HIS A 55 -1 N HIS A 55 O LEU A 47 +SHEET 1 C 4 THR A 114 PHE A 118 0 +SHEET 2 C 4 GLY A 129 ASN A 137 -1 N ASN A 137 O THR A 114 +SHEET 3 C 4 MET A 175 THR A 182 -1 N LEU A 181 O ALA A 130 +SHEET 4 C 4 VAL A 159 TRP A 163 -1 N SER A 162 O SER A 176 +SHEET 1 D 3 ASN A 145 LYS A 149 0 +SHEET 2 D 3 SER A 191 THR A 197 -1 N THR A 197 O ASN A 145 +SHEET 3 D 3 ILE A 205 ASN A 210 -1 N PHE A 209 O TYR A 192 +SHEET 1 E 4 LYS B 3 SER B 7 0 +SHEET 2 E 4 LEU B 18 SER B 25 -1 N SER B 25 O LYS B 3 +SHEET 3 E 4 THR B 77 MET B 82 -1 N MET B 82 O LEU B 18 +SHEET 4 E 4 PHE B 67 ASP B 72 -1 N ASP B 72 O THR B 77 +SHEET 1 F 5 THR B 107 VAL B 109 0 +SHEET 2 F 5 ALA B 88 ARG B 94 -1 N TYR B 90 O THR B 107 +SHEET 3 F 5 MET B 34 GLN B 39 -1 N GLN B 39 O MET B 89 +SHEET 4 F 5 LEU B 45 ILE B 51 -1 N ILE B 51 O MET B 34 +SHEET 5 F 5 THR B 57 TYR B 59 -1 N TYR B 58 O TYR B 50 +SHEET 1 G 4 SER B 120 LEU B 124 0 +SHEET 2 G 4 VAL B 138 TYR B 147 -1 N LYS B 145 O SER B 120 +SHEET 3 G 4 TYR B 185 VAL B 193 -1 N VAL B 193 O VAL B 138 +SHEET 4 G 4 VAL B 171 THR B 173 -1 N HIS B 172 O SER B 190 +SHEET 1 H 3 VAL B 152 TRP B 157 0 +SHEET 2 H 3 THR B 206 HIS B 212 -1 N ALA B 211 O THR B 153 +SHEET 3 H 3 THR B 217 LYS B 222 -1 N LYS B 221 O CYS B 208 +SHEET 1 I 4 SER B 252 PHE B 256 0 +SHEET 2 I 4 ILE B 271 VAL B 277 -1 N VAL B 277 O SER B 252 +SHEET 3 I 4 LEU B 319 PRO B 326 -1 N LEU B 325 O VAL B 272 +SHEET 4 I 4 ARG B 310 ASP B 312 -1 N GLU B 311 O ARG B 320 +SHEET 1 J 3 GLN B 287 VAL B 292 0 +SHEET 2 J 3 GLU B 337 ASN B 343 -1 N ASN B 343 O GLN B 287 +SHEET 3 J 3 ILE B 351 SER B 357 -1 N ILE B 355 O PHE B 338 +SHEET 1 K 4 GLN B 368 LEU B 372 0 +SHEET 2 K 4 GLN B 385 THR B 393 -1 N THR B 393 O GLN B 368 +SHEET 3 K 4 MET B 437 GLU B 444 -1 N VAL B 443 O VAL B 386 +SHEET 4 K 4 TYR B 419 ASN B 421 -1 N LYS B 420 O LYS B 440 +SHEET 1 L 3 TYR B 401 ASN B 408 0 +SHEET 2 L 3 TYR B 454 VAL B 459 -1 N VAL B 459 O TYR B 401 +SHEET 3 L 3 THR B 468 SER B 471 -1 N LYS B 470 O CYS B 456 +SHEET 1 M 4 LEU C 4 SER C 7 0 +SHEET 2 M 4 ILE C 19 ALA C 25 -1 N HIS C 24 O THR C 5 +SHEET 3 M 4 PHE C 71 ILE C 75 -1 N ILE C 75 O ILE C 19 +SHEET 4 M 4 PHE C 62 SER C 65 -1 N SER C 65 O THR C 72 +SHEET 1 N 5 THR C 102 ILE C 106 0 +SHEET 2 N 5 THR C 85 GLN C 90 -1 N TYR C 86 O THR C 102 +SHEET 3 N 5 LEU C 33 GLN C 38 -1 N GLN C 38 O THR C 85 +SHEET 4 N 5 LYS C 45 ILE C 48 -1 N ILE C 48 O TRP C 35 +SHEET 5 N 5 ASN C 53 HIS C 55 -1 N HIS C 55 O LEU C 47 +SHEET 1 O 4 THR C 114 PHE C 118 0 +SHEET 2 O 4 GLY C 129 ASN C 137 -1 N ASN C 137 O THR C 114 +SHEET 3 O 4 MET C 175 THR C 182 -1 N LEU C 181 O ALA C 130 +SHEET 4 O 4 VAL C 159 TRP C 163 -1 N SER C 162 O SER C 176 +SHEET 1 P 3 ASN C 145 LYS C 149 0 +SHEET 2 P 3 SER C 191 THR C 197 -1 N THR C 197 O ASN C 145 +SHEET 3 P 3 ILE C 205 ASN C 210 -1 N PHE C 209 O TYR C 192 +SHEET 1 Q 4 LEU D 4 SER D 7 0 +SHEET 2 Q 4 LEU D 18 THR D 24 -1 N ALA D 23 O GLN D 5 +SHEET 3 Q 4 THR D 77 MET D 82 -1 N MET D 82 O LEU D 18 +SHEET 4 Q 4 PHE D 67 ASP D 72 -1 N ASP D 72 O THR D 77 +SHEET 1 R 5 THR D 107 VAL D 109 0 +SHEET 2 R 5 ALA D 88 ARG D 94 -1 N TYR D 90 O THR D 107 +SHEET 3 R 5 MET D 34 GLN D 39 -1 N GLN D 39 O MET D 89 +SHEET 4 R 5 LEU D 45 ILE D 51 -1 N ILE D 51 O MET D 34 +SHEET 5 R 5 THR D 57 TYR D 59 -1 N TYR D 58 O TYR D 50 +SHEET 1 S 4 SER D 120 LEU D 124 0 +SHEET 2 S 4 SER D 137 TYR D 147 -1 N LYS D 145 O SER D 120 +SHEET 3 S 4 TYR D 185 THR D 194 -1 N VAL D 193 O VAL D 138 +SHEET 4 S 4 VAL D 171 THR D 173 -1 N HIS D 172 O SER D 190 +SHEET 1 T 3 VAL D 152 TRP D 157 0 +SHEET 2 T 3 THR D 206 HIS D 212 -1 N ALA D 211 O THR D 153 +SHEET 3 T 3 THR D 217 LYS D 222 -1 N LYS D 221 O CYS D 208 +SHEET 1 U 4 SER D 252 PHE D 256 0 +SHEET 2 U 4 ILE D 271 VAL D 277 -1 N VAL D 277 O SER D 252 +SHEET 3 U 4 LEU D 319 PRO D 326 -1 N LEU D 325 O VAL D 272 +SHEET 4 U 4 GLN D 307 ASP D 312 -1 N GLU D 311 O ARG D 320 +SHEET 1 V 3 GLN D 287 VAL D 292 0 +SHEET 2 V 3 PHE D 338 ASN D 343 -1 N ASN D 343 O GLN D 287 +SHEET 3 V 3 ILE D 351 ILE D 355 -1 N ILE D 355 O PHE D 338 +SHEET 1 W 4 GLN D 368 LEU D 372 0 +SHEET 2 W 4 GLN D 385 THR D 393 -1 N THR D 393 O GLN D 368 +SHEET 3 W 4 MET D 437 GLU D 444 -1 N VAL D 443 O VAL D 386 +SHEET 4 W 4 TYR D 419 ASN D 421 -1 N LYS D 420 O LYS D 440 +SHEET 1 X 3 TYR D 401 ASN D 408 0 +SHEET 2 X 3 TYR D 454 VAL D 459 -1 N VAL D 459 O TYR D 401 +SHEET 3 X 3 THR D 468 SER D 471 -1 N LYS D 470 O CYS D 456 +SSBOND 1 CYS A 23 CYS A 88 1555 1555 2.03 +SSBOND 2 CYS A 134 CYS A 194 1555 1555 2.02 +SSBOND 3 CYS A 214 CYS B 128 1555 1555 2.04 +SSBOND 4 CYS B 22 CYS B 92 1555 1555 2.04 +SSBOND 5 CYS B 142 CYS B 208 1555 1555 2.03 +SSBOND 6 CYS B 237 CYS D 237 1555 1555 2.04 +SSBOND 7 CYS B 240 CYS D 240 1555 1555 2.04 +SSBOND 8 CYS B 242 CYS D 242 1555 1555 2.04 +SSBOND 9 CYS B 274 CYS B 340 1555 1555 2.02 +SSBOND 10 CYS B 390 CYS B 456 1555 1555 2.02 +SSBOND 11 CYS C 23 CYS C 88 1555 1555 2.02 +SSBOND 12 CYS C 134 CYS C 194 1555 1555 2.03 +SSBOND 13 CYS C 214 CYS D 128 1555 1555 2.03 +SSBOND 14 CYS D 22 CYS D 92 1555 1555 2.03 +SSBOND 15 CYS D 142 CYS D 208 1555 1555 2.04 +SSBOND 16 CYS D 274 CYS D 340 1555 1555 2.03 +SSBOND 17 CYS D 390 CYS D 456 1555 1555 2.01 +LINK C1 NAG B 475 ND2 ASN B 314 1555 1555 1.47 +LINK O4 NAG B 475 C1 NAG B 477 1555 1555 1.38 +LINK O6 NAG B 475 C1 FUL B 476 1555 1555 1.39 +LINK O4 NAG B 477 C1 BMA B 478 1555 1555 1.39 +LINK O3 BMA B 478 C1 MAN B 482 1555 1555 1.41 +LINK O6 BMA B 478 C1 MAN B 479 1555 1555 1.40 +LINK O2 MAN B 479 C1 NAG B 480 1555 1555 1.39 +LINK O4 NAG B 480 C1 GAL B 481 1555 1555 1.39 +LINK O2 MAN B 482 C1 NAG B 483 1555 1555 1.39 +LINK C1 NAG D 475 ND2 ASN D 314 1555 1555 1.46 +LINK O4 NAG D 475 C1 NAG D 477 1555 1555 1.40 +LINK O6 NAG D 475 C1 FUC D 476 1555 1555 1.40 +LINK O4 NAG D 477 C1 BMA D 478 1555 1555 1.39 +LINK O3 BMA D 478 C1 MAN D 482 1555 1555 1.40 +LINK O6 BMA D 478 C1 MAN D 479 1555 1555 1.40 +LINK O2 MAN D 479 C1 NAG D 480 1555 1555 1.40 +LINK O4 NAG D 480 C1 GAL D 481 1555 1555 1.39 +LINK O2 MAN D 482 C1 NAG D 483 1555 1555 1.39 +CISPEP 1 SER A 7 PRO A 8 0 -0.06 +CISPEP 2 TYR A 94 PRO A 95 0 -0.17 +CISPEP 3 TYR A 140 PRO A 141 0 0.10 +CISPEP 4 PHE B 148 PRO B 149 0 -0.34 +CISPEP 5 GLU B 150 PRO B 151 0 -0.07 +CISPEP 6 MET B 396 PRO B 397 0 0.01 +CISPEP 7 SER C 7 PRO C 8 0 -0.21 +CISPEP 8 TYR C 94 PRO C 95 0 -0.16 +CISPEP 9 TYR C 140 PRO C 141 0 -0.27 +CISPEP 10 PHE D 148 PRO D 149 0 -0.17 +CISPEP 11 GLU D 150 PRO D 151 0 -0.20 +CISPEP 12 MET D 396 PRO D 397 0 -0.32 +SITE 1 AC1 5 ASP B 278 TYR B 313 ASN B 314 FUL B 476 +SITE 2 AC1 5 NAG B 477 +SITE 1 AC2 2 TYR B 313 NAG B 475 +SITE 1 AC3 3 NAG B 475 BMA B 478 MAN B 479 +SITE 1 AC4 4 PHE B 254 NAG B 477 MAN B 479 MAN B 482 +SITE 1 AC5 3 NAG B 477 BMA B 478 NAG B 480 +SITE 1 AC6 5 LYS B 259 THR B 273 VAL B 275 MAN B 479 +SITE 2 AC6 5 GAL B 481 +SITE 1 AC7 6 PRO B 257 LYS B 259 ASP B 262 ILE B 271 +SITE 2 AC7 6 THR B 273 NAG B 480 +SITE 1 AC8 2 BMA B 478 NAG B 483 +SITE 1 AC9 2 ARG B 353 MAN B 482 +SITE 1 BC1 4 TYR D 313 ASN D 314 FUC D 476 NAG D 477 +SITE 1 BC2 2 TYR D 313 NAG D 475 +SITE 1 BC3 3 NAG D 475 BMA D 478 MAN D 479 +SITE 1 BC4 4 PHE D 256 NAG D 477 MAN D 479 MAN D 482 +SITE 1 BC5 3 NAG D 477 BMA D 478 NAG D 480 +SITE 1 BC6 3 LYS D 259 MAN D 479 GAL D 481 +SITE 1 BC7 4 ASP D 262 ILE D 271 THR D 273 NAG D 480 +SITE 1 BC8 2 BMA D 478 NAG D 483 +SITE 1 BC9 2 ARG D 353 MAN D 482 +CRYST1 65.820 76.770 100.640 88.05 92.35 97.23 P 1 2 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015193 0.001927 0.000568 0.00000 +SCALE2 0.000000 0.013130 -0.000383 0.00000 +SCALE3 0.000000 0.000000 0.009949 0.00000 +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +ATOM 10 H2 ASP A 1 2.453 -85.542 44.045 1.00 15.00 H +ATOM 11 H3 ASP A 1 1.443 -86.304 45.196 1.00 15.00 H +ATOM 12 N ILE A 2 0.340 -83.582 47.459 1.00 34.73 N +ATOM 13 CA ILE A 2 -0.861 -83.420 48.270 1.00 29.53 C +ATOM 14 C ILE A 2 -1.148 -81.947 48.106 1.00 33.02 C +ATOM 15 O ILE A 2 -0.359 -81.109 48.565 1.00 32.44 O +ATOM 16 CB ILE A 2 -0.578 -83.674 49.774 1.00 30.90 C +ATOM 17 CG1 ILE A 2 -0.020 -85.082 49.986 1.00 32.30 C +ATOM 18 CG2 ILE A 2 -1.839 -83.460 50.599 1.00 19.63 C +ATOM 19 CD1 ILE A 2 0.364 -85.361 51.400 1.00 26.28 C +ATOM 20 H ILE A 2 1.152 -83.139 47.791 1.00 15.00 H +ATOM 21 N VAL A 3 -2.201 -81.617 47.370 1.00 31.53 N +ATOM 22 CA VAL A 3 -2.524 -80.212 47.174 1.00 29.66 C +ATOM 23 C VAL A 3 -3.429 -79.776 48.311 1.00 21.71 C +ATOM 24 O VAL A 3 -4.307 -80.528 48.738 1.00 18.92 O +ATOM 25 CB VAL A 3 -3.181 -79.934 45.777 1.00 32.87 C +ATOM 26 CG1 VAL A 3 -2.164 -80.165 44.639 1.00 28.08 C +ATOM 27 CG2 VAL A 3 -4.406 -80.814 45.576 1.00 39.50 C +ATOM 28 H VAL A 3 -2.776 -82.301 46.990 1.00 15.00 H +ATOM 29 N LEU A 4 -3.112 -78.628 48.893 1.00 12.01 N +ATOM 30 CA LEU A 4 -3.913 -78.072 49.981 1.00 20.96 C +ATOM 31 C LEU A 4 -4.945 -77.089 49.367 1.00 24.70 C +ATOM 32 O LEU A 4 -4.708 -76.532 48.298 1.00 37.20 O +ATOM 33 CB LEU A 4 -2.989 -77.368 50.994 1.00 11.02 C +ATOM 34 CG LEU A 4 -2.251 -78.202 52.058 1.00 2.00 C +ATOM 35 CD1 LEU A 4 -3.103 -78.316 53.293 1.00 12.70 C +ATOM 36 CD2 LEU A 4 -1.905 -79.573 51.573 1.00 2.00 C +ATOM 37 H LEU A 4 -2.335 -78.126 48.581 1.00 15.00 H +ATOM 38 N THR A 5 -6.093 -76.897 50.006 1.00 23.98 N +ATOM 39 CA THR A 5 -7.110 -75.985 49.474 1.00 22.00 C +ATOM 40 C THR A 5 -7.629 -75.019 50.531 1.00 13.21 C +ATOM 41 O THR A 5 -8.547 -75.325 51.303 1.00 16.32 O +ATOM 42 CB THR A 5 -8.306 -76.753 48.847 1.00 30.75 C +ATOM 43 OG1 THR A 5 -7.847 -77.569 47.755 1.00 32.33 O +ATOM 44 CG2 THR A 5 -9.358 -75.770 48.331 1.00 34.90 C +ATOM 45 H THR A 5 -6.253 -77.369 50.841 1.00 15.00 H +ATOM 46 HG1 THR A 5 -7.060 -78.062 48.003 1.00 15.00 H +ATOM 47 N GLN A 6 -6.999 -73.861 50.584 1.00 3.50 N +ATOM 48 CA GLN A 6 -7.379 -72.842 51.537 1.00 2.33 C +ATOM 49 C GLN A 6 -8.592 -72.109 50.980 1.00 12.13 C +ATOM 50 O GLN A 6 -8.693 -71.856 49.772 1.00 13.43 O +ATOM 51 CB GLN A 6 -6.206 -71.904 51.749 1.00 2.00 C +ATOM 52 CG GLN A 6 -6.370 -70.922 52.860 1.00 2.81 C +ATOM 53 CD GLN A 6 -5.075 -70.206 53.169 1.00 11.76 C +ATOM 54 OE1 GLN A 6 -5.041 -69.284 53.982 1.00 25.94 O +ATOM 55 NE2 GLN A 6 -3.995 -70.632 52.534 1.00 6.77 N +ATOM 56 H GLN A 6 -6.288 -73.656 49.948 1.00 15.00 H +ATOM 57 HE21 GLN A 6 -3.211 -70.079 52.682 1.00 15.00 H +ATOM 58 HE22 GLN A 6 -3.989 -71.398 51.924 1.00 15.00 H +ATOM 59 N SER A 7 -9.535 -71.814 51.859 1.00 22.62 N +ATOM 60 CA SER A 7 -10.771 -71.152 51.476 1.00 33.10 C +ATOM 61 C SER A 7 -11.142 -70.215 52.605 1.00 34.30 C +ATOM 62 O SER A 7 -10.922 -70.530 53.768 1.00 46.15 O +ATOM 63 CB SER A 7 -11.890 -72.190 51.295 1.00 36.50 C +ATOM 64 OG SER A 7 -11.405 -73.387 50.697 1.00 38.28 O +ATOM 65 H SER A 7 -9.388 -72.039 52.803 1.00 15.00 H +ATOM 66 HG SER A 7 -10.897 -73.162 49.907 1.00 15.00 H +ATOM 67 N PRO A 8 -11.712 -69.052 52.285 1.00 41.03 N +ATOM 68 CA PRO A 8 -12.014 -68.592 50.934 1.00 47.80 C +ATOM 69 C PRO A 8 -10.702 -68.106 50.346 1.00 52.91 C +ATOM 70 O PRO A 8 -9.641 -68.615 50.707 1.00 63.02 O +ATOM 71 CB PRO A 8 -12.958 -67.430 51.199 1.00 43.94 C +ATOM 72 CG PRO A 8 -12.339 -66.821 52.384 1.00 40.95 C +ATOM 73 CD PRO A 8 -12.045 -68.006 53.266 1.00 44.42 C +ATOM 74 N SER A 9 -10.764 -67.113 49.466 1.00 47.05 N +ATOM 75 CA SER A 9 -9.551 -66.586 48.873 1.00 32.92 C +ATOM 76 C SER A 9 -9.272 -65.181 49.419 1.00 33.70 C +ATOM 77 O SER A 9 -8.125 -64.714 49.428 1.00 36.12 O +ATOM 78 CB SER A 9 -9.671 -66.621 47.355 1.00 36.51 C +ATOM 79 OG SER A 9 -10.193 -67.879 46.940 1.00 27.22 O +ATOM 80 H SER A 9 -11.619 -66.743 49.172 1.00 15.00 H +ATOM 81 HG SER A 9 -9.588 -68.569 47.246 1.00 15.00 H +ATOM 82 N SER A 10 -10.313 -64.535 49.935 1.00 29.09 N +ATOM 83 CA SER A 10 -10.179 -63.201 50.522 1.00 35.83 C +ATOM 84 C SER A 10 -11.367 -62.982 51.432 1.00 33.35 C +ATOM 85 O SER A 10 -12.439 -63.551 51.197 1.00 30.79 O +ATOM 86 CB SER A 10 -10.156 -62.108 49.442 1.00 50.37 C +ATOM 87 OG SER A 10 -11.360 -62.074 48.677 1.00 63.86 O +ATOM 88 H SER A 10 -11.210 -64.918 49.942 1.00 15.00 H +ATOM 89 HG SER A 10 -12.131 -61.983 49.247 1.00 15.00 H +ATOM 90 N LEU A 11 -11.190 -62.163 52.459 1.00 30.28 N +ATOM 91 CA LEU A 11 -12.273 -61.884 53.386 1.00 38.64 C +ATOM 92 C LEU A 11 -12.178 -60.500 53.976 1.00 42.96 C +ATOM 93 O LEU A 11 -11.085 -59.960 54.135 1.00 41.96 O +ATOM 94 CB LEU A 11 -12.305 -62.908 54.526 1.00 49.34 C +ATOM 95 CG LEU A 11 -12.904 -64.276 54.204 1.00 58.79 C +ATOM 96 CD1 LEU A 11 -13.023 -65.106 55.457 1.00 57.90 C +ATOM 97 CD2 LEU A 11 -14.271 -64.106 53.550 1.00 68.51 C +ATOM 98 H LEU A 11 -10.319 -61.737 52.623 1.00 15.00 H +ATOM 99 N SER A 12 -13.337 -59.940 54.302 1.00 47.46 N +ATOM 100 CA SER A 12 -13.426 -58.624 54.907 1.00 51.49 C +ATOM 101 C SER A 12 -14.330 -58.761 56.109 1.00 53.03 C +ATOM 102 O SER A 12 -15.319 -59.488 56.057 1.00 57.83 O +ATOM 103 CB SER A 12 -14.023 -57.620 53.926 1.00 52.56 C +ATOM 104 OG SER A 12 -15.237 -58.101 53.381 1.00 55.59 O +ATOM 105 H SER A 12 -14.188 -60.403 54.151 1.00 15.00 H +ATOM 106 HG SER A 12 -15.885 -58.238 54.084 1.00 15.00 H +ATOM 107 N ALA A 13 -13.977 -58.091 57.195 1.00 55.58 N +ATOM 108 CA ALA A 13 -14.773 -58.129 58.413 1.00 61.84 C +ATOM 109 C ALA A 13 -14.382 -56.948 59.289 1.00 66.09 C +ATOM 110 O ALA A 13 -13.322 -56.343 59.099 1.00 66.86 O +ATOM 111 CB ALA A 13 -14.558 -59.444 59.155 1.00 67.28 C +ATOM 112 H ALA A 13 -13.144 -57.565 57.207 1.00 15.00 H +ATOM 113 N SER A 14 -15.254 -56.601 60.225 1.00 67.67 N +ATOM 114 CA SER A 14 -15.005 -55.478 61.108 1.00 75.39 C +ATOM 115 C SER A 14 -14.017 -55.839 62.196 1.00 79.30 C +ATOM 116 O SER A 14 -13.782 -57.019 62.463 1.00 78.00 O +ATOM 117 CB SER A 14 -16.316 -55.026 61.747 1.00 80.07 C +ATOM 118 OG SER A 14 -17.345 -54.942 60.777 1.00 89.05 O +ATOM 119 H SER A 14 -16.089 -57.092 60.338 1.00 15.00 H +ATOM 120 HG SER A 14 -18.137 -54.590 61.195 1.00 15.00 H +ATOM 121 N LEU A 15 -13.453 -54.815 62.830 1.00 87.37 N +ATOM 122 CA LEU A 15 -12.507 -55.005 63.925 1.00 93.89 C +ATOM 123 C LEU A 15 -13.216 -55.790 65.027 1.00 96.25 C +ATOM 124 O LEU A 15 -14.446 -55.754 65.133 1.00 98.36 O +ATOM 125 CB LEU A 15 -12.052 -53.651 64.492 1.00 96.10 C +ATOM 126 CG LEU A 15 -11.130 -52.713 63.702 1.00 99.06 C +ATOM 127 CD1 LEU A 15 -9.756 -53.352 63.527 1.00 98.25 C +ATOM 128 CD2 LEU A 15 -11.750 -52.341 62.359 1.00100.82 C +ATOM 129 H LEU A 15 -13.695 -53.912 62.553 1.00 15.00 H +ATOM 130 N GLY A 16 -12.450 -56.525 65.822 1.00 96.27 N +ATOM 131 CA GLY A 16 -13.047 -57.288 66.902 1.00 97.32 C +ATOM 132 C GLY A 16 -13.767 -58.556 66.483 1.00 94.26 C +ATOM 133 O GLY A 16 -13.989 -59.450 67.307 1.00 98.69 O +ATOM 134 H GLY A 16 -11.481 -56.536 65.675 1.00 15.00 H +ATOM 135 N ASP A 17 -14.134 -58.654 65.213 1.00 86.29 N +ATOM 136 CA ASP A 17 -14.821 -59.840 64.743 1.00 80.26 C +ATOM 137 C ASP A 17 -13.947 -61.074 64.928 1.00 73.90 C +ATOM 138 O ASP A 17 -12.738 -60.983 65.166 1.00 69.19 O +ATOM 139 CB ASP A 17 -15.216 -59.697 63.266 1.00 85.07 C +ATOM 140 CG ASP A 17 -16.475 -58.862 63.066 1.00 86.57 C +ATOM 141 OD1 ASP A 17 -16.553 -57.746 63.625 1.00 87.67 O +ATOM 142 OD2 ASP A 17 -17.386 -59.326 62.343 1.00 82.75 O +ATOM 143 H ASP A 17 -13.964 -57.943 64.564 1.00 15.00 H +ATOM 144 N THR A 18 -14.597 -62.222 64.907 1.00 71.11 N +ATOM 145 CA THR A 18 -13.921 -63.492 65.023 1.00 70.85 C +ATOM 146 C THR A 18 -14.146 -64.060 63.625 1.00 69.47 C +ATOM 147 O THR A 18 -15.277 -64.047 63.131 1.00 67.00 O +ATOM 148 CB THR A 18 -14.603 -64.385 66.080 1.00 71.58 C +ATOM 149 OG1 THR A 18 -14.998 -63.584 67.204 1.00 77.36 O +ATOM 150 CG2 THR A 18 -13.644 -65.452 66.564 1.00 71.51 C +ATOM 151 H THR A 18 -15.569 -62.252 64.794 1.00 15.00 H +ATOM 152 HG1 THR A 18 -14.240 -63.105 67.545 1.00 15.00 H +ATOM 153 N ILE A 19 -13.080 -64.505 62.967 1.00 65.94 N +ATOM 154 CA ILE A 19 -13.192 -65.039 61.610 1.00 57.36 C +ATOM 155 C ILE A 19 -12.465 -66.373 61.439 1.00 56.68 C +ATOM 156 O ILE A 19 -11.428 -66.603 62.061 1.00 63.97 O +ATOM 157 CB ILE A 19 -12.678 -64.006 60.588 1.00 51.11 C +ATOM 158 CG1 ILE A 19 -12.634 -64.606 59.183 1.00 58.46 C +ATOM 159 CG2 ILE A 19 -11.325 -63.473 61.012 1.00 39.69 C +ATOM 160 CD1 ILE A 19 -12.039 -63.668 58.140 1.00 60.47 C +ATOM 161 H ILE A 19 -12.200 -64.508 63.406 1.00 15.00 H +ATOM 162 N THR A 20 -13.005 -67.242 60.588 1.00 51.73 N +ATOM 163 CA THR A 20 -12.414 -68.555 60.368 1.00 52.56 C +ATOM 164 C THR A 20 -11.964 -68.861 58.947 1.00 47.40 C +ATOM 165 O THR A 20 -12.775 -68.928 58.016 1.00 42.12 O +ATOM 166 CB THR A 20 -13.378 -69.672 60.790 1.00 61.86 C +ATOM 167 OG1 THR A 20 -14.640 -69.485 60.135 1.00 76.40 O +ATOM 168 CG2 THR A 20 -13.573 -69.668 62.297 1.00 72.27 C +ATOM 169 H THR A 20 -13.827 -67.042 60.098 1.00 15.00 H +ATOM 170 HG1 THR A 20 -14.477 -69.538 59.181 1.00 15.00 H +ATOM 171 N ILE A 21 -10.670 -69.123 58.812 1.00 42.36 N +ATOM 172 CA ILE A 21 -10.068 -69.462 57.531 1.00 33.60 C +ATOM 173 C ILE A 21 -9.930 -70.975 57.569 1.00 31.74 C +ATOM 174 O ILE A 21 -9.765 -71.538 58.650 1.00 46.74 O +ATOM 175 CB ILE A 21 -8.651 -68.853 57.421 1.00 33.69 C +ATOM 176 CG1 ILE A 21 -8.685 -67.359 57.750 1.00 33.39 C +ATOM 177 CG2 ILE A 21 -8.083 -69.067 56.019 1.00 43.71 C +ATOM 178 CD1 ILE A 21 -7.335 -66.697 57.683 1.00 34.91 C +ATOM 179 H ILE A 21 -10.108 -69.149 59.617 1.00 15.00 H +ATOM 180 N THR A 22 -10.006 -71.652 56.430 1.00 17.93 N +ATOM 181 CA THR A 22 -9.855 -73.098 56.465 1.00 17.98 C +ATOM 182 C THR A 22 -8.953 -73.676 55.375 1.00 24.83 C +ATOM 183 O THR A 22 -8.711 -73.040 54.357 1.00 34.99 O +ATOM 184 CB THR A 22 -11.212 -73.815 56.427 1.00 9.57 C +ATOM 185 OG1 THR A 22 -11.494 -74.240 55.085 1.00 13.81 O +ATOM 186 CG2 THR A 22 -12.318 -72.899 56.933 1.00 12.95 C +ATOM 187 H THR A 22 -10.155 -71.196 55.573 1.00 15.00 H +ATOM 188 HG1 THR A 22 -11.521 -73.445 54.535 1.00 15.00 H +ATOM 189 N CYS A 23 -8.458 -74.888 55.599 1.00 23.89 N +ATOM 190 CA CYS A 23 -7.613 -75.563 54.636 1.00 21.85 C +ATOM 191 C CYS A 23 -8.061 -76.998 54.551 1.00 23.49 C +ATOM 192 O CYS A 23 -8.602 -77.546 55.517 1.00 26.33 O +ATOM 193 CB CYS A 23 -6.146 -75.500 55.049 1.00 20.82 C +ATOM 194 SG CYS A 23 -5.203 -74.368 53.988 1.00 47.90 S +ATOM 195 H CYS A 23 -8.678 -75.365 56.422 1.00 15.00 H +ATOM 196 N HIS A 24 -7.887 -77.598 53.382 1.00 13.92 N +ATOM 197 CA HIS A 24 -8.274 -78.981 53.190 1.00 18.39 C +ATOM 198 C HIS A 24 -7.192 -79.649 52.437 1.00 25.60 C +ATOM 199 O HIS A 24 -6.487 -79.000 51.672 1.00 34.98 O +ATOM 200 CB HIS A 24 -9.571 -79.099 52.419 1.00 30.78 C +ATOM 201 CG HIS A 24 -10.757 -78.704 53.225 1.00 48.47 C +ATOM 202 ND1 HIS A 24 -11.046 -77.388 53.515 1.00 60.24 N +ATOM 203 CD2 HIS A 24 -11.666 -79.450 53.895 1.00 46.91 C +ATOM 204 CE1 HIS A 24 -12.079 -77.338 54.336 1.00 59.35 C +ATOM 205 NE2 HIS A 24 -12.472 -78.576 54.583 1.00 57.89 N +ATOM 206 H HIS A 24 -7.472 -77.117 52.636 1.00 15.00 H +ATOM 207 HD1 HIS A 24 -10.585 -76.584 53.177 1.00 15.00 H +ATOM 208 HE2 HIS A 24 -13.206 -78.820 55.188 1.00 15.00 H +ATOM 209 N ALA A 25 -7.076 -80.954 52.610 1.00 22.93 N +ATOM 210 CA ALA A 25 -6.024 -81.655 51.933 1.00 21.43 C +ATOM 211 C ALA A 25 -6.538 -82.856 51.205 1.00 20.63 C +ATOM 212 O ALA A 25 -7.522 -83.474 51.622 1.00 18.66 O +ATOM 213 CB ALA A 25 -4.937 -82.053 52.929 1.00 22.29 C +ATOM 214 H ALA A 25 -7.671 -81.470 53.194 1.00 15.00 H +ATOM 215 N SER A 26 -5.891 -83.141 50.078 1.00 24.66 N +ATOM 216 CA SER A 26 -6.230 -84.300 49.274 1.00 28.89 C +ATOM 217 C SER A 26 -6.040 -85.518 50.175 1.00 34.22 C +ATOM 218 O SER A 26 -7.014 -86.054 50.707 1.00 43.29 O +ATOM 219 CB SER A 26 -5.336 -84.396 48.021 1.00 20.41 C +ATOM 220 OG SER A 26 -4.158 -83.603 48.110 1.00 24.14 O +ATOM 221 H SER A 26 -5.156 -82.562 49.780 1.00 15.00 H +ATOM 222 HG SER A 26 -3.780 -83.679 47.229 1.00 15.00 H +ATOM 223 N GLN A 27 -4.781 -85.875 50.432 1.00 24.53 N +ATOM 224 CA GLN A 27 -4.451 -87.020 51.273 1.00 22.32 C +ATOM 225 C GLN A 27 -4.407 -86.612 52.744 1.00 17.38 C +ATOM 226 O GLN A 27 -4.266 -85.438 53.047 1.00 17.95 O +ATOM 227 CB GLN A 27 -3.092 -87.605 50.847 1.00 32.47 C +ATOM 228 CG GLN A 27 -3.030 -88.069 49.389 1.00 43.77 C +ATOM 229 CD GLN A 27 -1.743 -88.800 49.045 1.00 56.57 C +ATOM 230 OE1 GLN A 27 -1.115 -89.411 49.906 1.00 70.06 O +ATOM 231 NE2 GLN A 27 -1.354 -88.754 47.777 1.00 61.56 N +ATOM 232 H GLN A 27 -4.057 -85.313 50.093 1.00 15.00 H +ATOM 233 HE21 GLN A 27 -0.529 -89.236 47.576 1.00 15.00 H +ATOM 234 HE22 GLN A 27 -1.893 -88.264 47.128 1.00 15.00 H +ATOM 235 N ASN A 28 -4.498 -87.586 53.647 1.00 25.54 N +ATOM 236 CA ASN A 28 -4.451 -87.331 55.094 1.00 23.92 C +ATOM 237 C ASN A 28 -3.065 -86.831 55.473 1.00 18.34 C +ATOM 238 O ASN A 28 -2.074 -87.371 54.980 1.00 27.20 O +ATOM 239 CB ASN A 28 -4.752 -88.622 55.863 1.00 32.79 C +ATOM 240 CG ASN A 28 -4.794 -88.413 57.365 1.00 40.83 C +ATOM 241 OD1 ASN A 28 -4.756 -87.286 57.848 1.00 45.43 O +ATOM 242 ND2 ASN A 28 -4.889 -89.503 58.110 1.00 43.92 N +ATOM 243 H ASN A 28 -4.578 -88.501 53.329 1.00 15.00 H +ATOM 244 HD21 ASN A 28 -4.870 -89.373 59.085 1.00 15.00 H +ATOM 245 HD22 ASN A 28 -4.949 -90.379 57.685 1.00 15.00 H +ATOM 246 N ILE A 29 -2.995 -85.799 56.320 1.00 12.18 N +ATOM 247 CA ILE A 29 -1.718 -85.208 56.766 1.00 4.22 C +ATOM 248 C ILE A 29 -1.615 -85.178 58.291 1.00 11.80 C +ATOM 249 O ILE A 29 -0.825 -84.423 58.881 1.00 2.00 O +ATOM 250 CB ILE A 29 -1.502 -83.780 56.230 1.00 8.13 C +ATOM 251 CG1 ILE A 29 -2.653 -82.873 56.637 1.00 5.39 C +ATOM 252 CG2 ILE A 29 -1.406 -83.787 54.722 1.00 9.57 C +ATOM 253 CD1 ILE A 29 -2.399 -81.437 56.302 1.00 16.95 C +ATOM 254 H ILE A 29 -3.842 -85.436 56.659 1.00 15.00 H +ATOM 255 N ASN A 30 -2.464 -85.990 58.912 1.00 9.43 N +ATOM 256 CA ASN A 30 -2.500 -86.160 60.343 1.00 2.00 C +ATOM 257 C ASN A 30 -2.693 -84.876 61.101 1.00 4.70 C +ATOM 258 O ASN A 30 -3.816 -84.497 61.406 1.00 15.28 O +ATOM 259 CB ASN A 30 -1.229 -86.854 60.810 1.00 2.00 C +ATOM 260 CG ASN A 30 -0.875 -88.043 59.944 1.00 19.93 C +ATOM 261 OD1 ASN A 30 -1.680 -88.977 59.774 1.00 6.22 O +ATOM 262 ND2 ASN A 30 0.316 -87.996 59.344 1.00 4.30 N +ATOM 263 H ASN A 30 -3.108 -86.502 58.381 1.00 15.00 H +ATOM 264 HD21 ASN A 30 0.519 -88.826 58.854 1.00 15.00 H +ATOM 265 HD22 ASN A 30 0.922 -87.248 59.408 1.00 15.00 H +ATOM 266 N VAL A 31 -1.607 -84.187 61.397 1.00 2.00 N +ATOM 267 CA VAL A 31 -1.722 -82.968 62.169 1.00 5.19 C +ATOM 268 C VAL A 31 -0.587 -82.029 61.789 1.00 7.67 C +ATOM 269 O VAL A 31 -0.402 -80.951 62.371 1.00 14.29 O +ATOM 270 CB VAL A 31 -1.751 -83.318 63.682 1.00 15.87 C +ATOM 271 CG1 VAL A 31 -0.617 -84.264 64.026 1.00 14.06 C +ATOM 272 CG2 VAL A 31 -1.703 -82.069 64.551 1.00 23.78 C +ATOM 273 H VAL A 31 -0.731 -84.473 61.066 1.00 15.00 H +ATOM 274 N TRP A 32 0.094 -82.407 60.716 1.00 4.96 N +ATOM 275 CA TRP A 32 1.213 -81.650 60.179 1.00 11.06 C +ATOM 276 C TRP A 32 0.772 -80.454 59.331 1.00 13.07 C +ATOM 277 O TRP A 32 0.838 -80.498 58.110 1.00 22.83 O +ATOM 278 CB TRP A 32 2.072 -82.605 59.367 1.00 13.28 C +ATOM 279 CG TRP A 32 2.322 -83.829 60.163 1.00 28.81 C +ATOM 280 CD1 TRP A 32 1.882 -85.105 59.894 1.00 38.70 C +ATOM 281 CD2 TRP A 32 2.962 -83.888 61.436 1.00 27.19 C +ATOM 282 NE1 TRP A 32 2.203 -85.945 60.934 1.00 30.70 N +ATOM 283 CE2 TRP A 32 2.866 -85.223 61.894 1.00 28.19 C +ATOM 284 CE3 TRP A 32 3.601 -82.939 62.245 1.00 26.51 C +ATOM 285 CZ2 TRP A 32 3.387 -85.628 63.124 1.00 24.20 C +ATOM 286 CZ3 TRP A 32 4.121 -83.346 63.472 1.00 28.88 C +ATOM 287 CH2 TRP A 32 4.011 -84.677 63.897 1.00 18.16 C +ATOM 288 H TRP A 32 -0.184 -83.194 60.215 1.00 15.00 H +ATOM 289 HE1 TRP A 32 2.061 -86.921 60.997 1.00 15.00 H +ATOM 290 N LEU A 33 0.301 -79.400 59.982 1.00 8.66 N +ATOM 291 CA LEU A 33 -0.135 -78.217 59.268 1.00 12.67 C +ATOM 292 C LEU A 33 0.356 -76.962 59.948 1.00 16.79 C +ATOM 293 O LEU A 33 0.165 -76.775 61.145 1.00 23.94 O +ATOM 294 CB LEU A 33 -1.654 -78.146 59.184 1.00 15.21 C +ATOM 295 CG LEU A 33 -2.049 -76.982 58.268 1.00 26.09 C +ATOM 296 CD1 LEU A 33 -2.170 -77.457 56.820 1.00 28.52 C +ATOM 297 CD2 LEU A 33 -3.336 -76.374 58.722 1.00 23.52 C +ATOM 298 H LEU A 33 0.235 -79.414 60.959 1.00 15.00 H +ATOM 299 N SER A 34 0.940 -76.074 59.169 1.00 17.00 N +ATOM 300 CA SER A 34 1.445 -74.833 59.704 1.00 14.45 C +ATOM 301 C SER A 34 0.549 -73.705 59.216 1.00 10.46 C +ATOM 302 O SER A 34 -0.340 -73.929 58.404 1.00 14.03 O +ATOM 303 CB SER A 34 2.873 -74.679 59.221 1.00 17.41 C +ATOM 304 OG SER A 34 3.457 -75.978 59.178 1.00 24.14 O +ATOM 305 H SER A 34 1.082 -76.264 58.221 1.00 15.00 H +ATOM 306 HG SER A 34 4.374 -75.987 58.879 1.00 15.00 H +ATOM 307 N TRP A 35 0.722 -72.515 59.767 1.00 11.62 N +ATOM 308 CA TRP A 35 -0.072 -71.362 59.368 1.00 12.41 C +ATOM 309 C TRP A 35 0.844 -70.173 59.430 1.00 19.66 C +ATOM 310 O TRP A 35 1.414 -69.890 60.482 1.00 13.71 O +ATOM 311 CB TRP A 35 -1.241 -71.131 60.311 1.00 5.35 C +ATOM 312 CG TRP A 35 -2.338 -72.114 60.168 1.00 14.36 C +ATOM 313 CD1 TRP A 35 -2.507 -73.264 60.886 1.00 27.64 C +ATOM 314 CD2 TRP A 35 -3.449 -72.039 59.272 1.00 14.99 C +ATOM 315 NE1 TRP A 35 -3.664 -73.909 60.498 1.00 23.14 N +ATOM 316 CE2 TRP A 35 -4.258 -73.181 59.505 1.00 19.94 C +ATOM 317 CE3 TRP A 35 -3.837 -71.131 58.292 1.00 8.41 C +ATOM 318 CZ2 TRP A 35 -5.427 -73.430 58.792 1.00 16.65 C +ATOM 319 CZ3 TRP A 35 -4.999 -71.382 57.583 1.00 13.84 C +ATOM 320 CH2 TRP A 35 -5.780 -72.523 57.836 1.00 17.88 C +ATOM 321 H TRP A 35 1.387 -72.421 60.480 1.00 15.00 H +ATOM 322 HE1 TRP A 35 -3.986 -74.746 60.900 1.00 15.00 H +ATOM 323 N TYR A 36 0.986 -69.492 58.297 1.00 28.04 N +ATOM 324 CA TYR A 36 1.855 -68.332 58.178 1.00 19.77 C +ATOM 325 C TYR A 36 1.091 -67.040 57.932 1.00 17.53 C +ATOM 326 O TYR A 36 -0.007 -67.041 57.375 1.00 16.40 O +ATOM 327 CB TYR A 36 2.860 -68.566 57.051 1.00 17.40 C +ATOM 328 CG TYR A 36 3.725 -69.789 57.252 1.00 2.00 C +ATOM 329 CD1 TYR A 36 4.826 -69.751 58.085 1.00 10.28 C +ATOM 330 CD2 TYR A 36 3.417 -70.984 56.639 1.00 12.49 C +ATOM 331 CE1 TYR A 36 5.596 -70.877 58.307 1.00 17.76 C +ATOM 332 CE2 TYR A 36 4.181 -72.119 56.856 1.00 14.59 C +ATOM 333 CZ TYR A 36 5.264 -72.055 57.694 1.00 17.27 C +ATOM 334 OH TYR A 36 5.987 -73.184 57.955 1.00 27.83 O +ATOM 335 H TYR A 36 0.464 -69.758 57.511 1.00 15.00 H +ATOM 336 HH TYR A 36 5.679 -73.881 57.365 1.00 15.00 H +ATOM 337 N GLN A 37 1.685 -65.936 58.351 1.00 20.79 N +ATOM 338 CA GLN A 37 1.079 -64.632 58.173 1.00 25.35 C +ATOM 339 C GLN A 37 2.048 -63.714 57.442 1.00 30.90 C +ATOM 340 O GLN A 37 3.170 -63.487 57.906 1.00 31.22 O +ATOM 341 CB GLN A 37 0.721 -64.031 59.529 1.00 34.61 C +ATOM 342 CG GLN A 37 0.464 -62.539 59.480 1.00 39.01 C +ATOM 343 CD GLN A 37 -0.121 -62.007 60.757 1.00 44.38 C +ATOM 344 OE1 GLN A 37 -1.326 -62.100 60.983 1.00 47.37 O +ATOM 345 NE2 GLN A 37 0.728 -61.452 61.611 1.00 40.15 N +ATOM 346 H GLN A 37 2.566 -65.996 58.785 1.00 15.00 H +ATOM 347 HE21 GLN A 37 0.331 -61.076 62.425 1.00 15.00 H +ATOM 348 HE22 GLN A 37 1.679 -61.426 61.399 1.00 15.00 H +ATOM 349 N GLN A 38 1.595 -63.164 56.317 1.00 37.07 N +ATOM 350 CA GLN A 38 2.409 -62.261 55.490 1.00 40.95 C +ATOM 351 C GLN A 38 1.721 -60.898 55.308 1.00 42.58 C +ATOM 352 O GLN A 38 0.811 -60.744 54.474 1.00 37.02 O +ATOM 353 CB GLN A 38 2.667 -62.917 54.120 1.00 34.19 C +ATOM 354 CG GLN A 38 3.637 -62.194 53.187 1.00 27.78 C +ATOM 355 CD GLN A 38 3.835 -62.944 51.858 1.00 33.44 C +ATOM 356 OE1 GLN A 38 2.900 -63.539 51.332 1.00 26.01 O +ATOM 357 NE2 GLN A 38 5.054 -62.912 51.319 1.00 18.72 N +ATOM 358 H GLN A 38 0.689 -63.387 56.021 1.00 15.00 H +ATOM 359 HE21 GLN A 38 5.245 -63.358 50.474 1.00 15.00 H +ATOM 360 HE22 GLN A 38 5.735 -62.402 51.806 1.00 15.00 H +ATOM 361 N LYS A 39 2.093 -59.933 56.146 1.00 43.59 N +ATOM 362 CA LYS A 39 1.515 -58.601 56.044 1.00 50.51 C +ATOM 363 C LYS A 39 2.183 -57.938 54.857 1.00 55.36 C +ATOM 364 O LYS A 39 3.404 -57.979 54.736 1.00 60.97 O +ATOM 365 CB LYS A 39 1.725 -57.798 57.333 1.00 51.40 C +ATOM 366 CG LYS A 39 0.628 -58.047 58.379 1.00 59.54 C +ATOM 367 CD LYS A 39 0.754 -57.189 59.639 1.00 66.03 C +ATOM 368 CE LYS A 39 1.947 -57.603 60.493 1.00 69.79 C +ATOM 369 NZ LYS A 39 1.959 -56.932 61.821 1.00 65.71 N +ATOM 370 H LYS A 39 2.787 -60.105 56.816 1.00 15.00 H +ATOM 371 HZ1 LYS A 39 1.983 -55.900 61.694 1.00 15.00 H +ATOM 372 HZ2 LYS A 39 1.099 -57.194 62.342 1.00 15.00 H +ATOM 373 HZ3 LYS A 39 2.797 -57.234 62.357 1.00 15.00 H +ATOM 374 N PRO A 40 1.385 -57.360 53.940 1.00 60.74 N +ATOM 375 CA PRO A 40 1.833 -56.677 52.720 1.00 59.47 C +ATOM 376 C PRO A 40 3.205 -56.023 52.807 1.00 60.14 C +ATOM 377 O PRO A 40 3.392 -54.998 53.470 1.00 51.98 O +ATOM 378 CB PRO A 40 0.723 -55.670 52.481 1.00 56.91 C +ATOM 379 CG PRO A 40 -0.484 -56.484 52.824 1.00 67.17 C +ATOM 380 CD PRO A 40 -0.069 -57.188 54.117 1.00 63.88 C +ATOM 381 N GLY A 41 4.166 -56.650 52.139 1.00 61.51 N +ATOM 382 CA GLY A 41 5.520 -56.148 52.146 1.00 67.83 C +ATOM 383 C GLY A 41 6.445 -57.040 52.951 1.00 76.18 C +ATOM 384 O GLY A 41 7.279 -57.736 52.375 1.00 85.74 O +ATOM 385 H GLY A 41 3.983 -57.488 51.669 1.00 15.00 H +ATOM 386 N ASN A 42 6.269 -57.052 54.272 1.00 78.03 N +ATOM 387 CA ASN A 42 7.106 -57.842 55.184 1.00 79.25 C +ATOM 388 C ASN A 42 7.113 -59.341 54.827 1.00 79.32 C +ATOM 389 O ASN A 42 6.305 -59.799 54.010 1.00 80.01 O +ATOM 390 CB ASN A 42 6.630 -57.629 56.635 1.00 83.81 C +ATOM 391 CG ASN A 42 7.707 -57.948 57.681 1.00 87.77 C +ATOM 392 OD1 ASN A 42 8.884 -58.098 57.358 1.00 87.44 O +ATOM 393 ND2 ASN A 42 7.299 -58.029 58.945 1.00 89.94 N +ATOM 394 H ASN A 42 5.504 -56.553 54.621 1.00 15.00 H +ATOM 395 HD21 ASN A 42 7.983 -58.229 59.615 1.00 15.00 H +ATOM 396 HD22 ASN A 42 6.351 -57.892 59.147 1.00 15.00 H +ATOM 397 N ILE A 43 8.041 -60.090 55.423 1.00 75.47 N +ATOM 398 CA ILE A 43 8.168 -61.533 55.184 1.00 68.20 C +ATOM 399 C ILE A 43 7.149 -62.347 55.991 1.00 61.12 C +ATOM 400 O ILE A 43 6.487 -61.823 56.896 1.00 61.07 O +ATOM 401 CB ILE A 43 9.597 -62.048 55.526 1.00 69.58 C +ATOM 402 CG1 ILE A 43 9.891 -61.892 57.022 1.00 77.71 C +ATOM 403 CG2 ILE A 43 10.630 -61.299 54.713 1.00 72.55 C +ATOM 404 CD1 ILE A 43 11.259 -62.403 57.440 1.00 82.80 C +ATOM 405 H ILE A 43 8.664 -59.657 56.043 1.00 15.00 H +ATOM 406 N PRO A 44 6.958 -63.626 55.630 1.00 52.14 N +ATOM 407 CA PRO A 44 5.997 -64.415 56.392 1.00 46.70 C +ATOM 408 C PRO A 44 6.605 -64.878 57.710 1.00 43.50 C +ATOM 409 O PRO A 44 7.800 -65.192 57.803 1.00 36.95 O +ATOM 410 CB PRO A 44 5.706 -65.583 55.456 1.00 41.80 C +ATOM 411 CG PRO A 44 7.001 -65.794 54.782 1.00 33.83 C +ATOM 412 CD PRO A 44 7.428 -64.381 54.455 1.00 47.49 C +ATOM 413 N LYS A 45 5.792 -64.838 58.747 1.00 38.67 N +ATOM 414 CA LYS A 45 6.237 -65.274 60.045 1.00 39.49 C +ATOM 415 C LYS A 45 5.381 -66.474 60.371 1.00 31.15 C +ATOM 416 O LYS A 45 4.231 -66.566 59.928 1.00 31.20 O +ATOM 417 CB LYS A 45 6.040 -64.172 61.088 1.00 56.28 C +ATOM 418 CG LYS A 45 6.955 -62.949 60.926 1.00 71.33 C +ATOM 419 CD LYS A 45 8.436 -63.332 60.997 1.00 86.23 C +ATOM 420 CE LYS A 45 9.370 -62.111 60.985 1.00 88.59 C +ATOM 421 NZ LYS A 45 9.348 -61.342 62.264 1.00 94.94 N +ATOM 422 H LYS A 45 4.875 -64.508 58.640 1.00 15.00 H +ATOM 423 HZ1 LYS A 45 9.645 -61.961 63.046 1.00 15.00 H +ATOM 424 HZ2 LYS A 45 9.997 -60.533 62.194 1.00 15.00 H +ATOM 425 HZ3 LYS A 45 8.383 -60.999 62.441 1.00 15.00 H +ATOM 426 N LEU A 46 5.970 -67.421 61.090 1.00 30.02 N +ATOM 427 CA LEU A 46 5.271 -68.632 61.488 1.00 27.83 C +ATOM 428 C LEU A 46 4.271 -68.301 62.596 1.00 24.21 C +ATOM 429 O LEU A 46 4.635 -67.719 63.614 1.00 22.00 O +ATOM 430 CB LEU A 46 6.271 -69.672 61.988 1.00 23.07 C +ATOM 431 CG LEU A 46 5.850 -71.135 61.856 1.00 23.59 C +ATOM 432 CD1 LEU A 46 6.880 -71.987 62.542 1.00 27.80 C +ATOM 433 CD2 LEU A 46 4.489 -71.397 62.453 1.00 18.88 C +ATOM 434 H LEU A 46 6.898 -67.296 61.376 1.00 15.00 H +ATOM 435 N LEU A 47 3.026 -68.722 62.408 1.00 25.15 N +ATOM 436 CA LEU A 47 1.964 -68.470 63.372 1.00 26.85 C +ATOM 437 C LEU A 47 1.588 -69.706 64.187 1.00 27.58 C +ATOM 438 O LEU A 47 1.436 -69.633 65.411 1.00 26.78 O +ATOM 439 CB LEU A 47 0.729 -67.973 62.631 1.00 30.67 C +ATOM 440 CG LEU A 47 0.089 -66.675 63.102 1.00 30.61 C +ATOM 441 CD1 LEU A 47 1.143 -65.579 63.239 1.00 28.39 C +ATOM 442 CD2 LEU A 47 -0.984 -66.289 62.100 1.00 36.83 C +ATOM 443 H LEU A 47 2.813 -69.203 61.584 1.00 15.00 H +ATOM 444 N ILE A 48 1.434 -70.839 63.509 1.00 22.47 N +ATOM 445 CA ILE A 48 1.050 -72.075 64.171 1.00 12.99 C +ATOM 446 C ILE A 48 1.621 -73.287 63.488 1.00 16.31 C +ATOM 447 O ILE A 48 1.694 -73.346 62.260 1.00 26.76 O +ATOM 448 CB ILE A 48 -0.466 -72.203 64.183 1.00 14.53 C +ATOM 449 CG1 ILE A 48 -1.037 -71.273 65.243 1.00 17.76 C +ATOM 450 CG2 ILE A 48 -0.902 -73.651 64.376 1.00 4.00 C +ATOM 451 CD1 ILE A 48 -2.529 -71.155 65.187 1.00 39.53 C +ATOM 452 H ILE A 48 1.576 -70.848 62.541 1.00 15.00 H +ATOM 453 N TYR A 49 2.044 -74.248 64.293 1.00 20.34 N +ATOM 454 CA TYR A 49 2.580 -75.491 63.772 1.00 24.75 C +ATOM 455 C TYR A 49 1.790 -76.576 64.445 1.00 19.76 C +ATOM 456 O TYR A 49 0.962 -76.277 65.314 1.00 15.40 O +ATOM 457 CB TYR A 49 4.075 -75.636 64.063 1.00 28.22 C +ATOM 458 CG TYR A 49 4.500 -75.495 65.512 1.00 50.56 C +ATOM 459 CD1 TYR A 49 4.157 -74.370 66.263 1.00 59.22 C +ATOM 460 CD2 TYR A 49 5.306 -76.464 66.115 1.00 59.48 C +ATOM 461 CE1 TYR A 49 4.613 -74.211 67.579 1.00 67.28 C +ATOM 462 CE2 TYR A 49 5.766 -76.314 67.429 1.00 64.19 C +ATOM 463 CZ TYR A 49 5.417 -75.187 68.155 1.00 66.87 C +ATOM 464 OH TYR A 49 5.870 -75.035 69.449 1.00 70.24 O +ATOM 465 H TYR A 49 1.931 -74.149 65.256 1.00 15.00 H +ATOM 466 HH TYR A 49 6.171 -75.882 69.790 1.00 15.00 H +ATOM 467 N LYS A 50 1.974 -77.812 63.981 1.00 17.31 N +ATOM 468 CA LYS A 50 1.289 -78.969 64.554 1.00 13.13 C +ATOM 469 C LYS A 50 -0.158 -78.583 64.844 1.00 14.71 C +ATOM 470 O LYS A 50 -0.560 -78.456 66.001 1.00 14.40 O +ATOM 471 CB LYS A 50 2.003 -79.382 65.849 1.00 28.43 C +ATOM 472 CG LYS A 50 2.336 -80.870 65.970 1.00 43.07 C +ATOM 473 CD LYS A 50 3.278 -81.173 67.153 1.00 47.11 C +ATOM 474 CE LYS A 50 2.725 -80.683 68.501 1.00 54.60 C +ATOM 475 NZ LYS A 50 1.433 -81.322 68.924 1.00 58.24 N +ATOM 476 H LYS A 50 2.584 -77.933 63.226 1.00 15.00 H +ATOM 477 HZ1 LYS A 50 0.720 -81.214 68.173 1.00 15.00 H +ATOM 478 HZ2 LYS A 50 1.584 -82.324 69.122 1.00 15.00 H +ATOM 479 HZ3 LYS A 50 1.093 -80.854 69.787 1.00 15.00 H +ATOM 480 N ALA A 51 -0.852 -78.213 63.775 1.00 14.46 N +ATOM 481 CA ALA A 51 -2.254 -77.805 63.774 1.00 7.70 C +ATOM 482 C ALA A 51 -2.729 -76.777 64.793 1.00 16.34 C +ATOM 483 O ALA A 51 -3.383 -75.804 64.426 1.00 21.55 O +ATOM 484 CB ALA A 51 -3.146 -79.007 63.793 1.00 4.79 C +ATOM 485 H ALA A 51 -0.383 -78.171 62.915 1.00 15.00 H +ATOM 486 N SER A 52 -2.466 -77.001 66.070 1.00 19.26 N +ATOM 487 CA SER A 52 -2.909 -76.063 67.082 1.00 24.74 C +ATOM 488 C SER A 52 -1.780 -75.343 67.784 1.00 28.75 C +ATOM 489 O SER A 52 -1.967 -74.247 68.313 1.00 36.67 O +ATOM 490 CB SER A 52 -3.769 -76.790 68.106 1.00 27.84 C +ATOM 491 OG SER A 52 -3.152 -78.007 68.493 1.00 55.80 O +ATOM 492 H SER A 52 -2.093 -77.818 66.398 1.00 15.00 H +ATOM 493 HG SER A 52 -3.240 -78.613 67.753 1.00 15.00 H +ATOM 494 N ASN A 53 -0.594 -75.929 67.756 1.00 33.83 N +ATOM 495 CA ASN A 53 0.527 -75.316 68.441 1.00 38.31 C +ATOM 496 C ASN A 53 0.840 -73.900 68.026 1.00 35.87 C +ATOM 497 O ASN A 53 1.284 -73.657 66.907 1.00 45.52 O +ATOM 498 CB ASN A 53 1.768 -76.178 68.309 1.00 41.04 C +ATOM 499 CG ASN A 53 1.850 -77.209 69.385 1.00 50.49 C +ATOM 500 OD1 ASN A 53 2.791 -77.212 70.172 1.00 59.60 O +ATOM 501 ND2 ASN A 53 0.847 -78.079 69.458 1.00 51.04 N +ATOM 502 H ASN A 53 -0.451 -76.729 67.206 1.00 15.00 H +ATOM 503 HD21 ASN A 53 0.907 -78.745 70.172 1.00 15.00 H +ATOM 504 HD22 ASN A 53 0.108 -78.022 68.819 1.00 15.00 H +ATOM 505 N LEU A 54 0.583 -72.962 68.926 1.00 28.77 N +ATOM 506 CA LEU A 54 0.881 -71.566 68.651 1.00 36.53 C +ATOM 507 C LEU A 54 2.374 -71.334 68.757 1.00 36.99 C +ATOM 508 O LEU A 54 3.032 -71.903 69.625 1.00 40.51 O +ATOM 509 CB LEU A 54 0.173 -70.641 69.640 1.00 33.91 C +ATOM 510 CG LEU A 54 -1.188 -70.128 69.188 1.00 38.06 C +ATOM 511 CD1 LEU A 54 -2.160 -71.286 69.070 1.00 33.77 C +ATOM 512 CD2 LEU A 54 -1.691 -69.093 70.174 1.00 46.53 C +ATOM 513 H LEU A 54 0.195 -73.211 69.785 1.00 15.00 H +ATOM 514 N HIS A 55 2.904 -70.490 67.879 1.00 43.90 N +ATOM 515 CA HIS A 55 4.327 -70.167 67.887 1.00 45.12 C +ATOM 516 C HIS A 55 4.546 -69.004 68.847 1.00 46.50 C +ATOM 517 O HIS A 55 3.590 -68.343 69.268 1.00 49.13 O +ATOM 518 CB HIS A 55 4.779 -69.766 66.483 1.00 49.71 C +ATOM 519 CG HIS A 55 6.263 -69.640 66.332 1.00 53.28 C +ATOM 520 ND1 HIS A 55 7.124 -70.700 66.516 1.00 57.90 N +ATOM 521 CD2 HIS A 55 7.036 -68.589 65.968 1.00 55.18 C +ATOM 522 CE1 HIS A 55 8.363 -70.310 66.269 1.00 60.02 C +ATOM 523 NE2 HIS A 55 8.336 -69.033 65.935 1.00 60.52 N +ATOM 524 H HIS A 55 2.311 -70.042 67.236 1.00 15.00 H +ATOM 525 HD1 HIS A 55 6.877 -71.618 66.778 1.00 15.00 H +ATOM 526 HE2 HIS A 55 9.112 -68.480 65.677 1.00 15.00 H +ATOM 527 N THR A 56 5.803 -68.758 69.195 1.00 43.73 N +ATOM 528 CA THR A 56 6.147 -67.669 70.097 1.00 44.10 C +ATOM 529 C THR A 56 5.513 -66.372 69.585 1.00 44.46 C +ATOM 530 O THR A 56 5.251 -66.232 68.392 1.00 52.08 O +ATOM 531 CB THR A 56 7.673 -67.489 70.167 1.00 40.96 C +ATOM 532 OG1 THR A 56 8.319 -68.766 70.057 1.00 45.89 O +ATOM 533 CG2 THR A 56 8.059 -66.871 71.483 1.00 48.50 C +ATOM 534 H THR A 56 6.543 -69.322 68.910 1.00 15.00 H +ATOM 535 HG1 THR A 56 9.248 -68.648 70.294 1.00 15.00 H +ATOM 536 N GLY A 57 5.217 -65.450 70.488 1.00 40.02 N +ATOM 537 CA GLY A 57 4.628 -64.189 70.074 1.00 37.98 C +ATOM 538 C GLY A 57 3.124 -64.210 69.863 1.00 39.22 C +ATOM 539 O GLY A 57 2.384 -63.467 70.517 1.00 38.91 O +ATOM 540 H GLY A 57 5.359 -65.622 71.437 1.00 15.00 H +ATOM 541 N VAL A 58 2.672 -65.050 68.943 1.00 38.80 N +ATOM 542 CA VAL A 58 1.251 -65.172 68.620 1.00 47.47 C +ATOM 543 C VAL A 58 0.281 -64.920 69.788 1.00 43.84 C +ATOM 544 O VAL A 58 0.063 -65.793 70.627 1.00 41.60 O +ATOM 545 CB VAL A 58 0.954 -66.570 68.013 1.00 54.56 C +ATOM 546 CG1 VAL A 58 -0.535 -66.729 67.734 1.00 54.18 C +ATOM 547 CG2 VAL A 58 1.766 -66.772 66.737 1.00 54.56 C +ATOM 548 H VAL A 58 3.313 -65.627 68.476 1.00 15.00 H +ATOM 549 N PRO A 59 -0.295 -63.710 69.865 1.00 43.30 N +ATOM 550 CA PRO A 59 -1.230 -63.422 70.950 1.00 51.26 C +ATOM 551 C PRO A 59 -2.348 -64.458 70.937 1.00 55.80 C +ATOM 552 O PRO A 59 -2.801 -64.875 69.872 1.00 60.30 O +ATOM 553 CB PRO A 59 -1.740 -62.030 70.590 1.00 55.36 C +ATOM 554 CG PRO A 59 -0.544 -61.405 69.942 1.00 52.02 C +ATOM 555 CD PRO A 59 -0.080 -62.515 69.033 1.00 48.29 C +ATOM 556 N SER A 60 -2.792 -64.850 72.126 1.00 63.52 N +ATOM 557 CA SER A 60 -3.838 -65.857 72.307 1.00 68.74 C +ATOM 558 C SER A 60 -4.988 -65.846 71.301 1.00 71.84 C +ATOM 559 O SER A 60 -5.539 -66.902 70.982 1.00 75.32 O +ATOM 560 CB SER A 60 -4.414 -65.770 73.728 1.00 68.51 C +ATOM 561 OG SER A 60 -4.986 -64.493 73.980 1.00 67.08 O +ATOM 562 H SER A 60 -2.413 -64.445 72.930 1.00 15.00 H +ATOM 563 HG SER A 60 -5.467 -64.511 74.816 1.00 15.00 H +ATOM 564 N ARG A 61 -5.349 -64.660 70.811 1.00 71.13 N +ATOM 565 CA ARG A 61 -6.457 -64.507 69.860 1.00 67.93 C +ATOM 566 C ARG A 61 -6.401 -65.327 68.561 1.00 64.97 C +ATOM 567 O ARG A 61 -7.368 -65.337 67.791 1.00 64.63 O +ATOM 568 CB ARG A 61 -6.699 -63.024 69.564 1.00 65.96 C +ATOM 569 CG ARG A 61 -5.434 -62.229 69.368 1.00 62.66 C +ATOM 570 CD ARG A 61 -5.694 -60.748 69.372 1.00 51.51 C +ATOM 571 NE ARG A 61 -4.426 -60.038 69.327 1.00 54.81 N +ATOM 572 CZ ARG A 61 -3.776 -59.745 68.208 1.00 52.07 C +ATOM 573 NH1 ARG A 61 -4.284 -60.094 67.036 1.00 50.07 N +ATOM 574 NH2 ARG A 61 -2.607 -59.121 68.266 1.00 49.70 N +ATOM 575 H ARG A 61 -4.846 -63.884 71.120 1.00 15.00 H +ATOM 576 HE ARG A 61 -4.022 -59.758 70.176 1.00 15.00 H +ATOM 577 HH11 ARG A 61 -5.155 -60.580 66.982 1.00 15.00 H +ATOM 578 HH12 ARG A 61 -3.787 -59.873 66.197 1.00 15.00 H +ATOM 579 HH21 ARG A 61 -2.221 -58.877 69.156 1.00 15.00 H +ATOM 580 HH22 ARG A 61 -2.114 -58.899 67.425 1.00 15.00 H +ATOM 581 N PHE A 62 -5.273 -65.987 68.310 1.00 59.88 N +ATOM 582 CA PHE A 62 -5.113 -66.827 67.128 1.00 52.79 C +ATOM 583 C PHE A 62 -5.309 -68.253 67.599 1.00 46.90 C +ATOM 584 O PHE A 62 -4.755 -68.651 68.619 1.00 45.63 O +ATOM 585 CB PHE A 62 -3.718 -66.665 66.534 1.00 52.75 C +ATOM 586 CG PHE A 62 -3.519 -65.374 65.795 1.00 54.24 C +ATOM 587 CD1 PHE A 62 -3.166 -64.215 66.476 1.00 53.68 C +ATOM 588 CD2 PHE A 62 -3.677 -65.321 64.414 1.00 50.90 C +ATOM 589 CE1 PHE A 62 -2.971 -63.021 65.791 1.00 57.87 C +ATOM 590 CE2 PHE A 62 -3.485 -64.136 63.721 1.00 52.84 C +ATOM 591 CZ PHE A 62 -3.131 -62.982 64.408 1.00 57.34 C +ATOM 592 H PHE A 62 -4.527 -65.960 68.943 1.00 15.00 H +ATOM 593 N SER A 63 -6.077 -69.034 66.858 1.00 44.73 N +ATOM 594 CA SER A 63 -6.336 -70.398 67.276 1.00 42.06 C +ATOM 595 C SER A 63 -6.380 -71.371 66.114 1.00 37.72 C +ATOM 596 O SER A 63 -7.212 -71.253 65.219 1.00 42.55 O +ATOM 597 CB SER A 63 -7.662 -70.448 68.035 1.00 51.70 C +ATOM 598 OG SER A 63 -7.887 -69.241 68.753 1.00 59.76 O +ATOM 599 H SER A 63 -6.523 -68.688 66.062 1.00 15.00 H +ATOM 600 HG SER A 63 -7.119 -69.040 69.307 1.00 15.00 H +ATOM 601 N GLY A 64 -5.460 -72.321 66.114 1.00 34.72 N +ATOM 602 CA GLY A 64 -5.435 -73.312 65.057 1.00 26.18 C +ATOM 603 C GLY A 64 -6.176 -74.539 65.531 1.00 20.04 C +ATOM 604 O GLY A 64 -6.315 -74.759 66.732 1.00 23.92 O +ATOM 605 H GLY A 64 -4.804 -72.391 66.837 1.00 15.00 H +ATOM 606 N SER A 65 -6.641 -75.355 64.603 1.00 19.79 N +ATOM 607 CA SER A 65 -7.368 -76.543 64.983 1.00 15.88 C +ATOM 608 C SER A 65 -7.567 -77.431 63.785 1.00 17.50 C +ATOM 609 O SER A 65 -7.224 -77.053 62.657 1.00 33.94 O +ATOM 610 CB SER A 65 -8.722 -76.152 65.555 1.00 10.64 C +ATOM 611 OG SER A 65 -9.457 -77.310 65.891 1.00 34.60 O +ATOM 612 H SER A 65 -6.513 -75.162 63.649 1.00 15.00 H +ATOM 613 HG SER A 65 -10.302 -77.023 66.254 1.00 15.00 H +ATOM 614 N GLY A 66 -8.147 -78.600 64.034 1.00 14.60 N +ATOM 615 CA GLY A 66 -8.409 -79.551 62.972 1.00 14.27 C +ATOM 616 C GLY A 66 -7.536 -80.781 63.073 1.00 13.36 C +ATOM 617 O GLY A 66 -6.709 -80.878 63.994 1.00 11.71 O +ATOM 618 H GLY A 66 -8.398 -78.827 64.955 1.00 15.00 H +ATOM 619 N SER A 67 -7.735 -81.713 62.136 1.00 16.40 N +ATOM 620 CA SER A 67 -6.983 -82.970 62.053 1.00 14.28 C +ATOM 621 C SER A 67 -7.382 -83.834 60.847 1.00 19.22 C +ATOM 622 O SER A 67 -8.565 -83.912 60.464 1.00 16.21 O +ATOM 623 CB SER A 67 -7.152 -83.794 63.339 1.00 26.19 C +ATOM 624 OG SER A 67 -8.497 -83.790 63.808 1.00 35.94 O +ATOM 625 H SER A 67 -8.435 -81.574 61.467 1.00 15.00 H +ATOM 626 HG SER A 67 -8.518 -84.316 64.612 1.00 15.00 H +ATOM 627 N GLY A 68 -6.386 -84.453 60.226 1.00 12.10 N +ATOM 628 CA GLY A 68 -6.665 -85.331 59.112 1.00 10.57 C +ATOM 629 C GLY A 68 -6.592 -84.671 57.765 1.00 24.81 C +ATOM 630 O GLY A 68 -5.585 -84.809 57.076 1.00 32.53 O +ATOM 631 H GLY A 68 -5.467 -84.313 60.524 1.00 15.00 H +ATOM 632 N THR A 69 -7.666 -83.995 57.362 1.00 30.76 N +ATOM 633 CA THR A 69 -7.690 -83.326 56.060 1.00 29.23 C +ATOM 634 C THR A 69 -8.197 -81.891 56.105 1.00 23.04 C +ATOM 635 O THR A 69 -7.874 -81.084 55.232 1.00 28.39 O +ATOM 636 CB THR A 69 -8.480 -84.137 55.000 1.00 32.73 C +ATOM 637 OG1 THR A 69 -9.769 -84.481 55.518 1.00 26.95 O +ATOM 638 CG2 THR A 69 -7.715 -85.420 54.615 1.00 19.19 C +ATOM 639 H THR A 69 -8.456 -83.966 57.939 1.00 15.00 H +ATOM 640 HG1 THR A 69 -10.210 -84.967 54.812 1.00 15.00 H +ATOM 641 N GLY A 70 -8.962 -81.559 57.131 1.00 15.99 N +ATOM 642 CA GLY A 70 -9.459 -80.204 57.232 1.00 18.71 C +ATOM 643 C GLY A 70 -8.887 -79.530 58.453 1.00 19.65 C +ATOM 644 O GLY A 70 -8.876 -80.119 59.523 1.00 28.58 O +ATOM 645 H GLY A 70 -9.179 -82.188 57.847 1.00 15.00 H +ATOM 646 N PHE A 71 -8.368 -78.323 58.299 1.00 18.36 N +ATOM 647 CA PHE A 71 -7.819 -77.599 59.431 1.00 15.42 C +ATOM 648 C PHE A 71 -8.357 -76.222 59.332 1.00 16.70 C +ATOM 649 O PHE A 71 -8.716 -75.783 58.245 1.00 26.29 O +ATOM 650 CB PHE A 71 -6.314 -77.525 59.337 1.00 16.70 C +ATOM 651 CG PHE A 71 -5.676 -78.846 59.257 1.00 24.15 C +ATOM 652 CD1 PHE A 71 -5.730 -79.575 58.080 1.00 28.07 C +ATOM 653 CD2 PHE A 71 -5.093 -79.410 60.379 1.00 23.77 C +ATOM 654 CE1 PHE A 71 -5.221 -80.861 58.022 1.00 33.76 C +ATOM 655 CE2 PHE A 71 -4.580 -80.690 60.334 1.00 22.09 C +ATOM 656 CZ PHE A 71 -4.645 -81.423 59.151 1.00 27.15 C +ATOM 657 H PHE A 71 -8.359 -77.891 57.421 1.00 15.00 H +ATOM 658 N THR A 72 -8.404 -75.520 60.448 1.00 14.71 N +ATOM 659 CA THR A 72 -8.908 -74.168 60.408 1.00 20.42 C +ATOM 660 C THR A 72 -8.105 -73.293 61.333 1.00 25.34 C +ATOM 661 O THR A 72 -7.556 -73.772 62.331 1.00 32.65 O +ATOM 662 CB THR A 72 -10.388 -74.094 60.816 1.00 31.21 C +ATOM 663 OG1 THR A 72 -10.503 -74.184 62.241 1.00 37.98 O +ATOM 664 CG2 THR A 72 -11.191 -75.235 60.174 1.00 39.67 C +ATOM 665 H THR A 72 -8.060 -75.875 61.295 1.00 15.00 H +ATOM 666 HG1 THR A 72 -9.963 -74.914 62.543 1.00 15.00 H +ATOM 667 N LEU A 73 -7.958 -72.036 60.936 1.00 22.60 N +ATOM 668 CA LEU A 73 -7.256 -71.036 61.719 1.00 20.62 C +ATOM 669 C LEU A 73 -8.378 -70.114 62.129 1.00 26.17 C +ATOM 670 O LEU A 73 -9.333 -69.930 61.368 1.00 35.56 O +ATOM 671 CB LEU A 73 -6.250 -70.279 60.854 1.00 17.94 C +ATOM 672 CG LEU A 73 -5.844 -68.854 61.259 1.00 21.93 C +ATOM 673 CD1 LEU A 73 -5.438 -68.742 62.719 1.00 18.21 C +ATOM 674 CD2 LEU A 73 -4.712 -68.402 60.368 1.00 25.76 C +ATOM 675 H LEU A 73 -8.383 -71.748 60.102 1.00 15.00 H +ATOM 676 N THR A 74 -8.301 -69.565 63.331 1.00 23.89 N +ATOM 677 CA THR A 74 -9.347 -68.670 63.787 1.00 29.64 C +ATOM 678 C THR A 74 -8.811 -67.512 64.592 1.00 29.58 C +ATOM 679 O THR A 74 -8.067 -67.703 65.560 1.00 22.64 O +ATOM 680 CB THR A 74 -10.457 -69.415 64.576 1.00 38.92 C +ATOM 681 OG1 THR A 74 -11.127 -68.496 65.446 1.00 46.31 O +ATOM 682 CG2 THR A 74 -9.900 -70.593 65.379 1.00 42.72 C +ATOM 683 H THR A 74 -7.575 -69.783 63.947 1.00 15.00 H +ATOM 684 HG1 THR A 74 -11.692 -68.977 66.052 1.00 15.00 H +ATOM 685 N ILE A 75 -9.162 -66.307 64.150 1.00 28.54 N +ATOM 686 CA ILE A 75 -8.717 -65.095 64.816 1.00 36.03 C +ATOM 687 C ILE A 75 -9.896 -64.445 65.529 1.00 42.21 C +ATOM 688 O ILE A 75 -10.989 -64.307 64.964 1.00 42.59 O +ATOM 689 CB ILE A 75 -8.104 -64.055 63.824 1.00 32.77 C +ATOM 690 CG1 ILE A 75 -7.181 -64.735 62.804 1.00 30.42 C +ATOM 691 CG2 ILE A 75 -7.327 -62.989 64.597 1.00 22.24 C +ATOM 692 CD1 ILE A 75 -7.814 -64.934 61.426 1.00 20.12 C +ATOM 693 H ILE A 75 -9.783 -66.243 63.394 1.00 15.00 H +ATOM 694 N SER A 76 -9.665 -64.065 66.776 1.00 45.31 N +ATOM 695 CA SER A 76 -10.671 -63.417 67.597 1.00 56.10 C +ATOM 696 C SER A 76 -10.262 -61.957 67.712 1.00 63.40 C +ATOM 697 O SER A 76 -9.073 -61.639 67.608 1.00 66.50 O +ATOM 698 CB SER A 76 -10.682 -64.045 68.995 1.00 57.18 C +ATOM 699 OG SER A 76 -10.900 -65.443 68.933 1.00 66.58 O +ATOM 700 H SER A 76 -8.769 -64.208 67.147 1.00 15.00 H +ATOM 701 HG SER A 76 -10.170 -65.875 68.466 1.00 15.00 H +ATOM 702 N SER A 77 -11.237 -61.079 67.931 1.00 67.29 N +ATOM 703 CA SER A 77 -10.986 -59.648 68.084 1.00 72.08 C +ATOM 704 C SER A 77 -9.914 -59.097 67.143 1.00 73.35 C +ATOM 705 O SER A 77 -8.862 -58.610 67.581 1.00 75.63 O +ATOM 706 CB SER A 77 -10.657 -59.304 69.545 1.00 70.44 C +ATOM 707 OG SER A 77 -11.801 -59.438 70.375 1.00 72.77 O +ATOM 708 H SER A 77 -12.168 -61.368 67.988 1.00 15.00 H +ATOM 709 HG SER A 77 -11.563 -59.196 71.276 1.00 15.00 H +ATOM 710 N LEU A 78 -10.203 -59.171 65.848 1.00 67.06 N +ATOM 711 CA LEU A 78 -9.293 -58.689 64.832 1.00 65.26 C +ATOM 712 C LEU A 78 -8.586 -57.408 65.223 1.00 70.55 C +ATOM 713 O LEU A 78 -9.217 -56.368 65.413 1.00 68.99 O +ATOM 714 CB LEU A 78 -10.037 -58.471 63.524 1.00 63.40 C +ATOM 715 CG LEU A 78 -10.258 -59.727 62.696 1.00 66.07 C +ATOM 716 CD1 LEU A 78 -10.975 -59.373 61.405 1.00 63.28 C +ATOM 717 CD2 LEU A 78 -8.907 -60.366 62.402 1.00 71.63 C +ATOM 718 H LEU A 78 -11.050 -59.588 65.582 1.00 15.00 H +ATOM 719 N GLN A 79 -7.283 -57.521 65.429 1.00 79.10 N +ATOM 720 CA GLN A 79 -6.454 -56.380 65.773 1.00 87.80 C +ATOM 721 C GLN A 79 -5.720 -55.976 64.494 1.00 93.30 C +ATOM 722 O GLN A 79 -5.050 -56.802 63.879 1.00 98.01 O +ATOM 723 CB GLN A 79 -5.464 -56.764 66.868 1.00 86.32 C +ATOM 724 CG GLN A 79 -6.107 -56.960 68.219 1.00 91.21 C +ATOM 725 CD GLN A 79 -6.846 -55.722 68.678 1.00 96.15 C +ATOM 726 OE1 GLN A 79 -6.240 -54.678 68.923 1.00 91.50 O +ATOM 727 NE2 GLN A 79 -8.164 -55.823 68.776 1.00 99.82 N +ATOM 728 H GLN A 79 -6.868 -58.399 65.373 1.00 15.00 H +ATOM 729 HE21 GLN A 79 -8.665 -55.041 69.077 1.00 15.00 H +ATOM 730 HE22 GLN A 79 -8.552 -56.692 68.531 1.00 15.00 H +ATOM 731 N PRO A 80 -5.813 -54.693 64.098 1.00 93.55 N +ATOM 732 CA PRO A 80 -5.190 -54.122 62.900 1.00 88.84 C +ATOM 733 C PRO A 80 -4.007 -54.890 62.308 1.00 86.80 C +ATOM 734 O PRO A 80 -3.999 -55.193 61.113 1.00 91.12 O +ATOM 735 CB PRO A 80 -4.800 -52.732 63.375 1.00 92.12 C +ATOM 736 CG PRO A 80 -6.002 -52.351 64.173 1.00 90.96 C +ATOM 737 CD PRO A 80 -6.313 -53.614 64.973 1.00 95.32 C +ATOM 738 N GLU A 81 -3.046 -55.259 63.151 1.00 80.78 N +ATOM 739 CA GLU A 81 -1.859 -55.996 62.704 1.00 78.49 C +ATOM 740 C GLU A 81 -2.109 -57.462 62.348 1.00 72.29 C +ATOM 741 O GLU A 81 -1.247 -58.319 62.546 1.00 74.52 O +ATOM 742 CB GLU A 81 -0.713 -55.900 63.723 1.00 84.91 C +ATOM 743 CG GLU A 81 -1.025 -55.163 65.018 1.00 96.23 C +ATOM 744 CD GLU A 81 -2.150 -55.801 65.806 1.00102.10 C +ATOM 745 OE1 GLU A 81 -2.204 -57.048 65.886 1.00108.35 O +ATOM 746 OE2 GLU A 81 -2.996 -55.043 66.325 1.00104.66 O +ATOM 747 H GLU A 81 -3.216 -55.014 64.070 1.00 15.00 H +ATOM 748 N ASP A 82 -3.304 -57.749 61.857 1.00 64.99 N +ATOM 749 CA ASP A 82 -3.658 -59.092 61.444 1.00 63.04 C +ATOM 750 C ASP A 82 -3.785 -59.049 59.936 1.00 63.19 C +ATOM 751 O ASP A 82 -3.518 -60.036 59.249 1.00 67.82 O +ATOM 752 CB ASP A 82 -4.994 -59.518 62.059 1.00 64.94 C +ATOM 753 CG ASP A 82 -4.947 -59.603 63.577 1.00 68.09 C +ATOM 754 OD1 ASP A 82 -3.857 -59.426 64.167 1.00 68.43 O +ATOM 755 OD2 ASP A 82 -6.014 -59.834 64.183 1.00 67.76 O +ATOM 756 H ASP A 82 -3.987 -57.067 61.768 1.00 15.00 H +ATOM 757 N ILE A 83 -4.154 -57.881 59.417 1.00 57.46 N +ATOM 758 CA ILE A 83 -4.322 -57.709 57.982 1.00 49.92 C +ATOM 759 C ILE A 83 -3.075 -58.178 57.260 1.00 40.58 C +ATOM 760 O ILE A 83 -2.026 -57.533 57.308 1.00 41.28 O +ATOM 761 CB ILE A 83 -4.613 -56.261 57.623 1.00 55.14 C +ATOM 762 CG1 ILE A 83 -5.732 -55.747 58.517 1.00 61.70 C +ATOM 763 CG2 ILE A 83 -5.023 -56.158 56.155 1.00 61.86 C +ATOM 764 CD1 ILE A 83 -6.917 -56.695 58.602 1.00 69.01 C +ATOM 765 H ILE A 83 -4.249 -57.108 60.006 1.00 15.00 H +ATOM 766 N ALA A 84 -3.202 -59.334 56.628 1.00 24.36 N +ATOM 767 CA ALA A 84 -2.116 -59.949 55.904 1.00 28.88 C +ATOM 768 C ALA A 84 -2.730 -61.024 55.052 1.00 33.23 C +ATOM 769 O ALA A 84 -3.938 -61.038 54.820 1.00 39.77 O +ATOM 770 CB ALA A 84 -1.161 -60.579 56.877 1.00 32.22 C +ATOM 771 H ALA A 84 -4.054 -59.813 56.658 1.00 15.00 H +ATOM 772 N THR A 85 -1.893 -61.918 54.563 1.00 32.59 N +ATOM 773 CA THR A 85 -2.382 -63.019 53.771 1.00 35.85 C +ATOM 774 C THR A 85 -1.929 -64.227 54.564 1.00 42.89 C +ATOM 775 O THR A 85 -0.824 -64.234 55.119 1.00 48.12 O +ATOM 776 CB THR A 85 -1.758 -63.033 52.381 1.00 36.11 C +ATOM 777 OG1 THR A 85 -1.742 -61.700 51.853 1.00 41.59 O +ATOM 778 CG2 THR A 85 -2.564 -63.924 51.459 1.00 34.88 C +ATOM 779 H THR A 85 -0.927 -61.864 54.714 1.00 15.00 H +ATOM 780 HG1 THR A 85 -1.049 -61.216 52.311 1.00 15.00 H +ATOM 781 N TYR A 86 -2.820 -65.197 54.716 1.00 42.21 N +ATOM 782 CA TYR A 86 -2.506 -66.397 55.464 1.00 30.72 C +ATOM 783 C TYR A 86 -2.404 -67.560 54.518 1.00 32.67 C +ATOM 784 O TYR A 86 -3.084 -67.604 53.486 1.00 35.50 O +ATOM 785 CB TYR A 86 -3.575 -66.657 56.516 1.00 23.53 C +ATOM 786 CG TYR A 86 -3.703 -65.515 57.498 1.00 23.71 C +ATOM 787 CD1 TYR A 86 -2.896 -65.452 58.644 1.00 29.79 C +ATOM 788 CD2 TYR A 86 -4.608 -64.487 57.276 1.00 19.49 C +ATOM 789 CE1 TYR A 86 -2.995 -64.386 59.544 1.00 18.28 C +ATOM 790 CE2 TYR A 86 -4.716 -63.418 58.167 1.00 28.72 C +ATOM 791 CZ TYR A 86 -3.911 -63.378 59.295 1.00 28.53 C +ATOM 792 OH TYR A 86 -4.049 -62.336 60.171 1.00 34.82 O +ATOM 793 H TYR A 86 -3.706 -65.128 54.315 1.00 15.00 H +ATOM 794 HH TYR A 86 -3.258 -62.285 60.726 1.00 15.00 H +ATOM 795 N TYR A 87 -1.479 -68.455 54.829 1.00 27.40 N +ATOM 796 CA TYR A 87 -1.263 -69.638 54.024 1.00 16.57 C +ATOM 797 C TYR A 87 -1.089 -70.796 54.988 1.00 15.21 C +ATOM 798 O TYR A 87 -0.518 -70.621 56.070 1.00 12.54 O +ATOM 799 CB TYR A 87 0.032 -69.528 53.213 1.00 20.61 C +ATOM 800 CG TYR A 87 0.232 -68.264 52.408 1.00 11.03 C +ATOM 801 CD1 TYR A 87 0.563 -67.060 53.023 1.00 4.21 C +ATOM 802 CD2 TYR A 87 0.142 -68.291 51.025 1.00 14.12 C +ATOM 803 CE1 TYR A 87 0.801 -65.921 52.276 1.00 16.09 C +ATOM 804 CE2 TYR A 87 0.370 -67.164 50.262 1.00 12.55 C +ATOM 805 CZ TYR A 87 0.700 -65.983 50.887 1.00 25.05 C +ATOM 806 OH TYR A 87 0.929 -64.873 50.110 1.00 38.53 O +ATOM 807 H TYR A 87 -0.933 -68.313 55.635 1.00 15.00 H +ATOM 808 HH TYR A 87 0.897 -65.120 49.177 1.00 15.00 H +ATOM 809 N CYS A 88 -1.625 -71.955 54.624 1.00 8.24 N +ATOM 810 CA CYS A 88 -1.457 -73.133 55.437 1.00 6.20 C +ATOM 811 C CYS A 88 -0.497 -73.962 54.630 1.00 12.96 C +ATOM 812 O CYS A 88 -0.307 -73.694 53.441 1.00 16.07 O +ATOM 813 CB CYS A 88 -2.753 -73.898 55.597 1.00 16.12 C +ATOM 814 SG CYS A 88 -3.253 -74.904 54.165 1.00 16.33 S +ATOM 815 H CYS A 88 -2.124 -72.034 53.790 1.00 15.00 H +ATOM 816 N GLN A 89 0.156 -74.923 55.273 1.00 16.27 N +ATOM 817 CA GLN A 89 1.086 -75.795 54.559 1.00 19.37 C +ATOM 818 C GLN A 89 1.223 -77.122 55.274 1.00 17.61 C +ATOM 819 O GLN A 89 1.429 -77.175 56.484 1.00 25.02 O +ATOM 820 CB GLN A 89 2.459 -75.148 54.391 1.00 15.90 C +ATOM 821 CG GLN A 89 3.227 -75.023 55.672 1.00 19.57 C +ATOM 822 CD GLN A 89 4.577 -75.722 55.623 1.00 24.18 C +ATOM 823 OE1 GLN A 89 5.560 -75.201 56.145 1.00 18.95 O +ATOM 824 NE2 GLN A 89 4.631 -76.905 55.009 1.00 9.13 N +ATOM 825 H GLN A 89 0.008 -75.061 56.235 1.00 15.00 H +ATOM 826 HE21 GLN A 89 5.498 -77.352 55.008 1.00 15.00 H +ATOM 827 HE22 GLN A 89 3.838 -77.314 54.602 1.00 15.00 H +ATOM 828 N GLN A 90 1.016 -78.191 54.524 1.00 21.79 N +ATOM 829 CA GLN A 90 1.123 -79.528 55.060 1.00 16.15 C +ATOM 830 C GLN A 90 2.595 -79.832 55.220 1.00 11.09 C +ATOM 831 O GLN A 90 3.438 -79.288 54.514 1.00 22.62 O +ATOM 832 CB GLN A 90 0.467 -80.552 54.114 1.00 6.38 C +ATOM 833 CG GLN A 90 1.144 -80.716 52.749 1.00 7.17 C +ATOM 834 CD GLN A 90 2.268 -81.739 52.745 1.00 11.89 C +ATOM 835 OE1 GLN A 90 2.706 -82.191 53.798 1.00 21.59 O +ATOM 836 NE2 GLN A 90 2.734 -82.115 51.556 1.00 10.40 N +ATOM 837 H GLN A 90 0.828 -78.071 53.568 1.00 15.00 H +ATOM 838 HE21 GLN A 90 3.490 -82.739 51.507 1.00 15.00 H +ATOM 839 HE22 GLN A 90 2.322 -81.713 50.765 1.00 15.00 H +ATOM 840 N GLY A 91 2.902 -80.696 56.164 1.00 17.10 N +ATOM 841 CA GLY A 91 4.275 -81.081 56.376 1.00 17.32 C +ATOM 842 C GLY A 91 4.310 -82.571 56.597 1.00 10.83 C +ATOM 843 O GLY A 91 5.195 -83.056 57.271 1.00 13.68 O +ATOM 844 H GLY A 91 2.199 -81.053 56.745 1.00 15.00 H +ATOM 845 N GLN A 92 3.319 -83.292 56.078 1.00 8.78 N +ATOM 846 CA GLN A 92 3.271 -84.746 56.236 1.00 16.18 C +ATOM 847 C GLN A 92 4.269 -85.412 55.326 1.00 7.20 C +ATOM 848 O GLN A 92 4.976 -86.312 55.743 1.00 24.93 O +ATOM 849 CB GLN A 92 1.878 -85.313 55.937 1.00 19.88 C +ATOM 850 CG GLN A 92 1.382 -86.397 56.921 1.00 23.45 C +ATOM 851 CD GLN A 92 1.955 -87.805 56.709 1.00 22.47 C +ATOM 852 OE1 GLN A 92 1.474 -88.769 57.301 1.00 16.93 O +ATOM 853 NE2 GLN A 92 2.939 -87.935 55.842 1.00 24.73 N +ATOM 854 H GLN A 92 2.637 -82.818 55.567 1.00 15.00 H +ATOM 855 HE21 GLN A 92 3.301 -88.843 55.831 1.00 15.00 H +ATOM 856 HE22 GLN A 92 3.299 -87.256 55.284 1.00 15.00 H +ATOM 857 N SER A 93 4.307 -85.002 54.071 1.00 12.39 N +ATOM 858 CA SER A 93 5.232 -85.620 53.142 1.00 22.43 C +ATOM 859 C SER A 93 5.782 -84.644 52.118 1.00 22.79 C +ATOM 860 O SER A 93 5.369 -83.490 52.066 1.00 21.22 O +ATOM 861 CB SER A 93 4.560 -86.795 52.438 1.00 18.42 C +ATOM 862 OG SER A 93 5.516 -87.538 51.702 1.00 40.54 O +ATOM 863 H SER A 93 3.779 -84.235 53.758 1.00 15.00 H +ATOM 864 HG SER A 93 5.071 -88.222 51.189 1.00 15.00 H +ATOM 865 N TYR A 94 6.739 -85.122 51.329 1.00 28.60 N +ATOM 866 CA TYR A 94 7.374 -84.322 50.295 1.00 32.68 C +ATOM 867 C TYR A 94 6.676 -84.488 48.962 1.00 41.18 C +ATOM 868 O TYR A 94 6.202 -85.577 48.633 1.00 51.50 O +ATOM 869 CB TYR A 94 8.830 -84.718 50.147 1.00 23.33 C +ATOM 870 CG TYR A 94 9.717 -84.105 51.187 1.00 19.01 C +ATOM 871 CD1 TYR A 94 10.294 -82.864 50.980 1.00 26.64 C +ATOM 872 CD2 TYR A 94 9.986 -84.760 52.378 1.00 33.84 C +ATOM 873 CE1 TYR A 94 11.123 -82.275 51.939 1.00 31.35 C +ATOM 874 CE2 TYR A 94 10.821 -84.183 53.347 1.00 40.88 C +ATOM 875 CZ TYR A 94 11.383 -82.935 53.120 1.00 29.62 C +ATOM 876 OH TYR A 94 12.179 -82.340 54.075 1.00 28.38 O +ATOM 877 H TYR A 94 6.967 -86.073 51.406 1.00 15.00 H +ATOM 878 HH TYR A 94 12.249 -82.967 54.804 1.00 15.00 H +ATOM 879 N PRO A 95 6.584 -83.402 48.178 1.00 43.53 N +ATOM 880 CA PRO A 95 7.101 -82.069 48.509 1.00 38.96 C +ATOM 881 C PRO A 95 6.214 -81.269 49.452 1.00 35.17 C +ATOM 882 O PRO A 95 5.020 -81.541 49.607 1.00 36.57 O +ATOM 883 CB PRO A 95 7.171 -81.392 47.146 1.00 45.86 C +ATOM 884 CG PRO A 95 6.003 -81.984 46.425 1.00 43.30 C +ATOM 885 CD PRO A 95 6.124 -83.449 46.778 1.00 47.17 C +ATOM 886 N LEU A 96 6.813 -80.271 50.079 1.00 28.08 N +ATOM 887 CA LEU A 96 6.085 -79.410 50.984 1.00 29.94 C +ATOM 888 C LEU A 96 5.278 -78.471 50.119 1.00 30.92 C +ATOM 889 O LEU A 96 5.825 -77.771 49.263 1.00 35.73 O +ATOM 890 CB LEU A 96 7.060 -78.622 51.836 1.00 35.50 C +ATOM 891 CG LEU A 96 7.758 -79.490 52.868 1.00 33.89 C +ATOM 892 CD1 LEU A 96 8.962 -78.764 53.418 1.00 46.07 C +ATOM 893 CD2 LEU A 96 6.756 -79.813 53.970 1.00 47.38 C +ATOM 894 H LEU A 96 7.757 -80.085 49.916 1.00 15.00 H +ATOM 895 N THR A 97 3.977 -78.452 50.339 1.00 22.99 N +ATOM 896 CA THR A 97 3.111 -77.615 49.547 1.00 17.97 C +ATOM 897 C THR A 97 2.330 -76.672 50.416 1.00 15.31 C +ATOM 898 O THR A 97 2.052 -76.988 51.570 1.00 18.56 O +ATOM 899 CB THR A 97 2.137 -78.478 48.811 1.00 22.17 C +ATOM 900 OG1 THR A 97 1.461 -79.310 49.763 1.00 28.94 O +ATOM 901 CG2 THR A 97 2.870 -79.354 47.810 1.00 16.60 C +ATOM 902 H THR A 97 3.549 -79.006 51.024 1.00 15.00 H +ATOM 903 HG1 THR A 97 0.790 -79.835 49.313 1.00 15.00 H +ATOM 904 N PHE A 98 1.988 -75.508 49.871 1.00 16.39 N +ATOM 905 CA PHE A 98 1.210 -74.516 50.612 1.00 7.61 C +ATOM 906 C PHE A 98 -0.173 -74.487 50.032 1.00 5.44 C +ATOM 907 O PHE A 98 -0.406 -75.067 48.983 1.00 16.70 O +ATOM 908 CB PHE A 98 1.851 -73.150 50.527 1.00 2.88 C +ATOM 909 CG PHE A 98 3.258 -73.120 51.035 1.00 4.12 C +ATOM 910 CD1 PHE A 98 4.261 -73.831 50.376 1.00 8.84 C +ATOM 911 CD2 PHE A 98 3.591 -72.365 52.142 1.00 2.00 C +ATOM 912 CE1 PHE A 98 5.571 -73.782 50.809 1.00 2.00 C +ATOM 913 CE2 PHE A 98 4.904 -72.310 52.589 1.00 2.00 C +ATOM 914 CZ PHE A 98 5.897 -73.019 51.921 1.00 4.42 C +ATOM 915 H PHE A 98 2.227 -75.318 48.940 1.00 15.00 H +ATOM 916 N GLY A 99 -1.093 -73.784 50.662 1.00 11.57 N +ATOM 917 CA GLY A 99 -2.437 -73.813 50.137 1.00 22.02 C +ATOM 918 C GLY A 99 -2.928 -72.530 49.542 1.00 39.07 C +ATOM 919 O GLY A 99 -3.943 -72.010 50.002 1.00 45.73 O +ATOM 920 H GLY A 99 -0.865 -73.275 51.472 1.00 15.00 H +ATOM 921 N GLY A 100 -2.280 -72.057 48.480 1.00 42.73 N +ATOM 922 CA GLY A 100 -2.702 -70.802 47.881 1.00 42.64 C +ATOM 923 C GLY A 100 -2.560 -69.801 49.005 1.00 44.18 C +ATOM 924 O GLY A 100 -1.521 -69.807 49.660 1.00 55.31 O +ATOM 925 H GLY A 100 -1.507 -72.549 48.138 1.00 15.00 H +ATOM 926 N GLY A 101 -3.609 -69.036 49.300 1.00 29.04 N +ATOM 927 CA GLY A 101 -3.558 -68.076 50.392 1.00 17.23 C +ATOM 928 C GLY A 101 -4.950 -67.540 50.665 1.00 20.01 C +ATOM 929 O GLY A 101 -5.900 -67.936 49.997 1.00 24.45 O +ATOM 930 H GLY A 101 -4.463 -69.109 48.823 1.00 15.00 H +ATOM 931 N THR A 102 -5.112 -66.753 51.716 1.00 17.67 N +ATOM 932 CA THR A 102 -6.404 -66.138 51.987 1.00 25.79 C +ATOM 933 C THR A 102 -6.012 -64.754 52.436 1.00 40.70 C +ATOM 934 O THR A 102 -5.232 -64.614 53.392 1.00 39.54 O +ATOM 935 CB THR A 102 -7.228 -66.874 53.083 1.00 31.61 C +ATOM 936 OG1 THR A 102 -8.425 -67.406 52.496 1.00 23.51 O +ATOM 937 CG2 THR A 102 -7.638 -65.927 54.214 1.00 24.59 C +ATOM 938 H THR A 102 -4.382 -66.604 52.351 1.00 15.00 H +ATOM 939 HG1 THR A 102 -8.155 -68.036 51.808 1.00 15.00 H +ATOM 940 N LYS A 103 -6.439 -63.741 51.682 1.00 49.06 N +ATOM 941 CA LYS A 103 -6.097 -62.374 52.043 1.00 52.38 C +ATOM 942 C LYS A 103 -7.169 -61.730 52.897 1.00 51.85 C +ATOM 943 O LYS A 103 -8.368 -61.921 52.671 1.00 47.14 O +ATOM 944 CB LYS A 103 -5.770 -61.509 50.823 1.00 54.41 C +ATOM 945 CG LYS A 103 -4.902 -60.314 51.213 1.00 58.78 C +ATOM 946 CD LYS A 103 -4.306 -59.562 50.037 1.00 58.80 C +ATOM 947 CE LYS A 103 -3.125 -58.702 50.497 1.00 58.97 C +ATOM 948 NZ LYS A 103 -3.426 -57.868 51.706 1.00 55.39 N +ATOM 949 H LYS A 103 -7.003 -63.917 50.897 1.00 15.00 H +ATOM 950 HZ1 LYS A 103 -3.722 -58.477 52.497 1.00 15.00 H +ATOM 951 HZ2 LYS A 103 -2.572 -57.345 51.985 1.00 15.00 H +ATOM 952 HZ3 LYS A 103 -4.186 -57.195 51.482 1.00 15.00 H +ATOM 953 N LEU A 104 -6.709 -60.973 53.885 1.00 51.70 N +ATOM 954 CA LEU A 104 -7.571 -60.291 54.835 1.00 53.91 C +ATOM 955 C LEU A 104 -7.782 -58.817 54.466 1.00 57.30 C +ATOM 956 O LEU A 104 -6.824 -58.090 54.174 1.00 62.22 O +ATOM 957 CB LEU A 104 -6.950 -60.408 56.230 1.00 52.77 C +ATOM 958 CG LEU A 104 -7.855 -60.390 57.460 1.00 46.52 C +ATOM 959 CD1 LEU A 104 -8.817 -61.552 57.387 1.00 34.93 C +ATOM 960 CD2 LEU A 104 -7.013 -60.466 58.726 1.00 48.61 C +ATOM 961 H LEU A 104 -5.740 -60.842 53.972 1.00 15.00 H +ATOM 962 N GLU A 105 -9.034 -58.378 54.557 1.00 59.42 N +ATOM 963 CA GLU A 105 -9.449 -57.016 54.238 1.00 59.48 C +ATOM 964 C GLU A 105 -10.287 -56.482 55.398 1.00 57.33 C +ATOM 965 O GLU A 105 -11.137 -57.196 55.926 1.00 55.03 O +ATOM 966 CB GLU A 105 -10.296 -57.057 52.957 1.00 68.38 C +ATOM 967 CG GLU A 105 -11.167 -55.834 52.667 1.00 77.73 C +ATOM 968 CD GLU A 105 -12.215 -56.097 51.580 1.00 84.10 C +ATOM 969 OE1 GLU A 105 -12.045 -57.042 50.773 1.00 87.99 O +ATOM 970 OE2 GLU A 105 -13.223 -55.359 51.541 1.00 85.31 O +ATOM 971 H GLU A 105 -9.729 -58.975 54.892 1.00 15.00 H +ATOM 972 N ILE A 106 -10.031 -55.247 55.820 1.00 59.39 N +ATOM 973 CA ILE A 106 -10.801 -54.634 56.907 1.00 53.43 C +ATOM 974 C ILE A 106 -12.044 -53.994 56.299 1.00 54.67 C +ATOM 975 O ILE A 106 -12.002 -53.516 55.166 1.00 57.91 O +ATOM 976 CB ILE A 106 -10.035 -53.501 57.585 1.00 48.67 C +ATOM 977 CG1 ILE A 106 -8.628 -53.956 57.945 1.00 50.30 C +ATOM 978 CG2 ILE A 106 -10.785 -53.046 58.825 1.00 51.11 C +ATOM 979 CD1 ILE A 106 -7.750 -52.852 58.488 1.00 59.63 C +ATOM 980 H ILE A 106 -9.337 -54.736 55.353 1.00 15.00 H +ATOM 981 N LYS A 107 -13.142 -53.973 57.044 1.00 53.17 N +ATOM 982 CA LYS A 107 -14.375 -53.366 56.557 1.00 47.06 C +ATOM 983 C LYS A 107 -14.412 -51.960 57.136 1.00 51.10 C +ATOM 984 O LYS A 107 -14.008 -51.753 58.287 1.00 48.71 O +ATOM 985 CB LYS A 107 -15.580 -54.159 57.045 1.00 42.91 C +ATOM 986 CG LYS A 107 -16.725 -54.246 56.064 1.00 49.60 C +ATOM 987 CD LYS A 107 -16.370 -55.121 54.875 1.00 56.63 C +ATOM 988 CE LYS A 107 -17.599 -55.441 54.025 1.00 66.09 C +ATOM 989 NZ LYS A 107 -18.275 -54.230 53.457 1.00 75.66 N +ATOM 990 H LYS A 107 -13.119 -54.340 57.956 1.00 15.00 H +ATOM 991 HZ1 LYS A 107 -18.571 -53.604 54.235 1.00 15.00 H +ATOM 992 HZ2 LYS A 107 -17.631 -53.717 52.825 1.00 15.00 H +ATOM 993 HZ3 LYS A 107 -19.115 -54.533 52.923 1.00 15.00 H +ATOM 994 N ARG A 108 -14.886 -51.004 56.336 1.00 58.26 N +ATOM 995 CA ARG A 108 -14.979 -49.593 56.731 1.00 60.32 C +ATOM 996 C ARG A 108 -16.212 -48.941 56.090 1.00 60.75 C +ATOM 997 O ARG A 108 -16.796 -49.493 55.154 1.00 62.74 O +ATOM 998 CB ARG A 108 -13.726 -48.843 56.238 1.00 64.39 C +ATOM 999 CG ARG A 108 -13.737 -47.340 56.508 1.00 72.41 C +ATOM 1000 CD ARG A 108 -13.060 -46.521 55.401 1.00 72.76 C +ATOM 1001 NE ARG A 108 -13.662 -45.187 55.300 1.00 74.51 N +ATOM 1002 CZ ARG A 108 -13.047 -44.040 55.584 1.00 75.99 C +ATOM 1003 NH1 ARG A 108 -11.779 -44.026 55.970 1.00 75.86 N +ATOM 1004 NH2 ARG A 108 -13.701 -42.891 55.464 1.00 77.23 N +ATOM 1005 H ARG A 108 -15.225 -51.226 55.439 1.00 15.00 H +ATOM 1006 HE ARG A 108 -14.594 -45.132 55.007 1.00 15.00 H +ATOM 1007 HH11 ARG A 108 -11.269 -44.881 56.051 1.00 15.00 H +ATOM 1008 HH12 ARG A 108 -11.332 -43.156 56.180 1.00 15.00 H +ATOM 1009 HH21 ARG A 108 -14.655 -42.895 55.162 1.00 15.00 H +ATOM 1010 HH22 ARG A 108 -13.247 -42.028 55.677 1.00 15.00 H +ATOM 1011 N ALA A 109 -16.608 -47.773 56.596 1.00 60.86 N +ATOM 1012 CA ALA A 109 -17.746 -47.040 56.038 1.00 56.87 C +ATOM 1013 C ALA A 109 -17.383 -46.679 54.609 1.00 58.22 C +ATOM 1014 O ALA A 109 -16.216 -46.440 54.304 1.00 67.48 O +ATOM 1015 CB ALA A 109 -18.013 -45.772 56.838 1.00 51.32 C +ATOM 1016 H ALA A 109 -16.116 -47.383 57.341 1.00 15.00 H +ATOM 1017 N ASP A 110 -18.372 -46.647 53.732 1.00 55.72 N +ATOM 1018 CA ASP A 110 -18.118 -46.321 52.334 1.00 55.15 C +ATOM 1019 C ASP A 110 -17.520 -44.910 52.197 1.00 51.39 C +ATOM 1020 O ASP A 110 -17.714 -44.053 53.074 1.00 46.59 O +ATOM 1021 CB ASP A 110 -19.416 -46.445 51.539 1.00 63.52 C +ATOM 1022 CG ASP A 110 -20.197 -47.701 51.895 1.00 69.46 C +ATOM 1023 OD1 ASP A 110 -19.738 -48.816 51.549 1.00 68.46 O +ATOM 1024 OD2 ASP A 110 -21.263 -47.564 52.539 1.00 73.36 O +ATOM 1025 H ASP A 110 -19.278 -46.826 54.036 1.00 15.00 H +ATOM 1026 N ALA A 111 -16.753 -44.685 51.131 1.00 40.83 N +ATOM 1027 CA ALA A 111 -16.145 -43.375 50.903 1.00 33.53 C +ATOM 1028 C ALA A 111 -16.113 -43.040 49.434 1.00 37.05 C +ATOM 1029 O ALA A 111 -15.896 -43.911 48.586 1.00 42.03 O +ATOM 1030 CB ALA A 111 -14.758 -43.303 51.477 1.00 30.77 C +ATOM 1031 H ALA A 111 -16.600 -45.407 50.482 1.00 15.00 H +ATOM 1032 N ALA A 112 -16.312 -41.758 49.147 1.00 38.93 N +ATOM 1033 CA ALA A 112 -16.350 -41.262 47.783 1.00 31.53 C +ATOM 1034 C ALA A 112 -14.979 -40.988 47.182 1.00 23.55 C +ATOM 1035 O ALA A 112 -14.190 -40.196 47.711 1.00 24.90 O +ATOM 1036 CB ALA A 112 -17.217 -40.019 47.710 1.00 41.35 C +ATOM 1037 H ALA A 112 -16.408 -41.123 49.882 1.00 15.00 H +ATOM 1038 N PRO A 113 -14.687 -41.643 46.056 1.00 10.78 N +ATOM 1039 CA PRO A 113 -13.427 -41.507 45.331 1.00 12.72 C +ATOM 1040 C PRO A 113 -13.207 -40.119 44.800 1.00 16.04 C +ATOM 1041 O PRO A 113 -14.087 -39.550 44.166 1.00 34.51 O +ATOM 1042 CB PRO A 113 -13.587 -42.483 44.161 1.00 6.60 C +ATOM 1043 CG PRO A 113 -15.043 -42.557 43.968 1.00 8.60 C +ATOM 1044 CD PRO A 113 -15.559 -42.619 45.389 1.00 8.66 C +ATOM 1045 N THR A 114 -12.028 -39.573 45.062 1.00 19.05 N +ATOM 1046 CA THR A 114 -11.651 -38.256 44.560 1.00 17.46 C +ATOM 1047 C THR A 114 -11.001 -38.511 43.203 1.00 18.62 C +ATOM 1048 O THR A 114 -9.924 -39.099 43.133 1.00 25.16 O +ATOM 1049 CB THR A 114 -10.627 -37.616 45.500 1.00 21.45 C +ATOM 1050 OG1 THR A 114 -11.325 -36.934 46.547 1.00 17.07 O +ATOM 1051 CG2 THR A 114 -9.674 -36.666 44.753 1.00 22.60 C +ATOM 1052 H THR A 114 -11.398 -40.101 45.596 1.00 15.00 H +ATOM 1053 HG1 THR A 114 -11.907 -37.566 46.987 1.00 15.00 H +ATOM 1054 N VAL A 115 -11.659 -38.121 42.120 1.00 19.10 N +ATOM 1055 CA VAL A 115 -11.079 -38.376 40.806 1.00 14.33 C +ATOM 1056 C VAL A 115 -10.355 -37.174 40.234 1.00 11.60 C +ATOM 1057 O VAL A 115 -10.643 -36.025 40.589 1.00 19.99 O +ATOM 1058 CB VAL A 115 -12.125 -38.824 39.827 1.00 6.84 C +ATOM 1059 CG1 VAL A 115 -13.084 -37.709 39.584 1.00 18.26 C +ATOM 1060 CG2 VAL A 115 -11.471 -39.256 38.541 1.00 23.31 C +ATOM 1061 H VAL A 115 -12.505 -37.640 42.203 1.00 15.00 H +ATOM 1062 N SER A 116 -9.415 -37.429 39.342 1.00 2.00 N +ATOM 1063 CA SER A 116 -8.678 -36.340 38.752 1.00 15.95 C +ATOM 1064 C SER A 116 -8.124 -36.779 37.431 1.00 23.27 C +ATOM 1065 O SER A 116 -7.492 -37.841 37.333 1.00 20.98 O +ATOM 1066 CB SER A 116 -7.544 -35.917 39.671 1.00 20.92 C +ATOM 1067 OG SER A 116 -8.039 -35.737 40.985 1.00 43.89 O +ATOM 1068 H SER A 116 -9.163 -38.349 39.125 1.00 15.00 H +ATOM 1069 HG SER A 116 -8.845 -35.206 40.968 1.00 15.00 H +ATOM 1070 N ILE A 117 -8.383 -35.968 36.409 1.00 23.45 N +ATOM 1071 CA ILE A 117 -7.918 -36.283 35.071 1.00 19.62 C +ATOM 1072 C ILE A 117 -6.674 -35.465 34.760 1.00 21.36 C +ATOM 1073 O ILE A 117 -6.503 -34.345 35.257 1.00 26.04 O +ATOM 1074 CB ILE A 117 -9.028 -36.038 34.038 1.00 14.80 C +ATOM 1075 CG1 ILE A 117 -8.642 -36.649 32.694 1.00 2.00 C +ATOM 1076 CG2 ILE A 117 -9.347 -34.544 33.942 1.00 16.58 C +ATOM 1077 CD1 ILE A 117 -9.736 -37.465 32.097 1.00 2.00 C +ATOM 1078 H ILE A 117 -8.849 -35.125 36.555 1.00 15.00 H +ATOM 1079 N PHE A 118 -5.794 -36.055 33.967 1.00 15.65 N +ATOM 1080 CA PHE A 118 -4.555 -35.423 33.599 1.00 16.41 C +ATOM 1081 C PHE A 118 -4.254 -35.586 32.115 1.00 21.15 C +ATOM 1082 O PHE A 118 -4.154 -36.703 31.593 1.00 26.89 O +ATOM 1083 CB PHE A 118 -3.401 -36.012 34.426 1.00 25.11 C +ATOM 1084 CG PHE A 118 -3.399 -35.584 35.865 1.00 14.62 C +ATOM 1085 CD1 PHE A 118 -4.221 -36.207 36.791 1.00 17.68 C +ATOM 1086 CD2 PHE A 118 -2.618 -34.530 36.277 1.00 8.44 C +ATOM 1087 CE1 PHE A 118 -4.269 -35.776 38.104 1.00 19.87 C +ATOM 1088 CE2 PHE A 118 -2.658 -34.091 37.587 1.00 27.22 C +ATOM 1089 CZ PHE A 118 -3.486 -34.712 38.503 1.00 24.20 C +ATOM 1090 H PHE A 118 -5.978 -36.951 33.620 1.00 15.00 H +ATOM 1091 N PRO A 119 -4.217 -34.464 31.395 1.00 21.25 N +ATOM 1092 CA PRO A 119 -3.928 -34.405 29.959 1.00 15.32 C +ATOM 1093 C PRO A 119 -2.472 -34.788 29.806 1.00 9.63 C +ATOM 1094 O PRO A 119 -1.686 -34.586 30.719 1.00 19.45 O +ATOM 1095 CB PRO A 119 -4.096 -32.921 29.648 1.00 21.13 C +ATOM 1096 CG PRO A 119 -5.136 -32.475 30.654 1.00 27.56 C +ATOM 1097 CD PRO A 119 -4.684 -33.163 31.903 1.00 22.04 C +ATOM 1098 N PRO A 120 -2.081 -35.307 28.646 1.00 12.58 N +ATOM 1099 CA PRO A 120 -0.685 -35.701 28.433 1.00 16.67 C +ATOM 1100 C PRO A 120 0.232 -34.532 28.702 1.00 25.40 C +ATOM 1101 O PRO A 120 -0.197 -33.383 28.689 1.00 29.98 O +ATOM 1102 CB PRO A 120 -0.655 -36.076 26.961 1.00 4.55 C +ATOM 1103 CG PRO A 120 -2.016 -36.579 26.716 1.00 15.25 C +ATOM 1104 CD PRO A 120 -2.886 -35.572 27.450 1.00 18.09 C +ATOM 1105 N SER A 121 1.493 -34.823 28.964 1.00 38.49 N +ATOM 1106 CA SER A 121 2.459 -33.775 29.240 1.00 43.60 C +ATOM 1107 C SER A 121 3.053 -33.308 27.930 1.00 42.47 C +ATOM 1108 O SER A 121 3.294 -34.116 27.041 1.00 40.52 O +ATOM 1109 CB SER A 121 3.559 -34.342 30.119 1.00 47.36 C +ATOM 1110 OG SER A 121 3.964 -35.604 29.614 1.00 49.73 O +ATOM 1111 H SER A 121 1.811 -35.745 28.989 1.00 15.00 H +ATOM 1112 HG SER A 121 4.436 -36.007 30.343 1.00 15.00 H +ATOM 1113 N SER A 122 3.307 -32.013 27.813 1.00 45.66 N +ATOM 1114 CA SER A 122 3.901 -31.463 26.604 1.00 50.76 C +ATOM 1115 C SER A 122 5.185 -32.230 26.306 1.00 49.39 C +ATOM 1116 O SER A 122 5.522 -32.509 25.154 1.00 52.37 O +ATOM 1117 CB SER A 122 4.208 -29.982 26.822 1.00 64.21 C +ATOM 1118 OG SER A 122 4.734 -29.764 28.124 1.00 79.06 O +ATOM 1119 H SER A 122 3.105 -31.394 28.548 1.00 15.00 H +ATOM 1120 HG SER A 122 4.955 -28.828 28.225 1.00 15.00 H +ATOM 1121 N GLU A 123 5.865 -32.622 27.373 1.00 47.07 N +ATOM 1122 CA GLU A 123 7.106 -33.360 27.258 1.00 46.00 C +ATOM 1123 C GLU A 123 6.854 -34.688 26.552 1.00 41.59 C +ATOM 1124 O GLU A 123 7.672 -35.121 25.743 1.00 46.94 O +ATOM 1125 CB GLU A 123 7.718 -33.592 28.647 1.00 52.02 C +ATOM 1126 CG GLU A 123 7.714 -32.349 29.556 1.00 62.48 C +ATOM 1127 CD GLU A 123 8.888 -32.298 30.538 1.00 71.96 C +ATOM 1128 OE1 GLU A 123 9.849 -33.086 30.368 1.00 72.92 O +ATOM 1129 OE2 GLU A 123 8.860 -31.453 31.469 1.00 71.74 O +ATOM 1130 H GLU A 123 5.512 -32.379 28.250 1.00 15.00 H +ATOM 1131 N GLN A 124 5.707 -35.311 26.826 1.00 27.44 N +ATOM 1132 CA GLN A 124 5.390 -36.597 26.211 1.00 22.22 C +ATOM 1133 C GLN A 124 4.975 -36.417 24.771 1.00 25.00 C +ATOM 1134 O GLN A 124 5.381 -37.190 23.904 1.00 30.69 O +ATOM 1135 CB GLN A 124 4.284 -37.344 26.969 1.00 22.75 C +ATOM 1136 CG GLN A 124 4.011 -38.761 26.423 1.00 17.72 C +ATOM 1137 CD GLN A 124 2.824 -39.492 27.090 1.00 32.46 C +ATOM 1138 OE1 GLN A 124 2.625 -40.700 26.872 1.00 17.45 O +ATOM 1139 NE2 GLN A 124 2.016 -38.761 27.870 1.00 30.07 N +ATOM 1140 H GLN A 124 5.055 -34.913 27.430 1.00 15.00 H +ATOM 1141 HE21 GLN A 124 1.308 -39.235 28.349 1.00 15.00 H +ATOM 1142 HE22 GLN A 124 2.176 -37.801 27.956 1.00 15.00 H +ATOM 1143 N LEU A 125 4.160 -35.399 24.512 1.00 23.75 N +ATOM 1144 CA LEU A 125 3.691 -35.122 23.157 1.00 18.45 C +ATOM 1145 C LEU A 125 4.903 -34.999 22.235 1.00 28.27 C +ATOM 1146 O LEU A 125 4.995 -35.697 21.232 1.00 31.76 O +ATOM 1147 CB LEU A 125 2.853 -33.846 23.129 1.00 18.25 C +ATOM 1148 CG LEU A 125 1.573 -33.799 23.985 1.00 27.53 C +ATOM 1149 CD1 LEU A 125 1.087 -32.345 24.112 1.00 19.87 C +ATOM 1150 CD2 LEU A 125 0.477 -34.715 23.405 1.00 7.71 C +ATOM 1151 H LEU A 125 3.874 -34.829 25.254 1.00 15.00 H +ATOM 1152 N THR A 126 5.873 -34.184 22.631 1.00 31.11 N +ATOM 1153 CA THR A 126 7.082 -34.016 21.844 1.00 40.79 C +ATOM 1154 C THR A 126 7.639 -35.390 21.469 1.00 42.33 C +ATOM 1155 O THR A 126 8.091 -35.601 20.350 1.00 41.79 O +ATOM 1156 CB THR A 126 8.149 -33.256 22.649 1.00 51.02 C +ATOM 1157 OG1 THR A 126 7.561 -32.093 23.246 1.00 65.57 O +ATOM 1158 CG2 THR A 126 9.297 -32.828 21.745 1.00 54.54 C +ATOM 1159 H THR A 126 5.770 -33.688 23.467 1.00 15.00 H +ATOM 1160 HG1 THR A 126 6.969 -32.346 23.958 1.00 15.00 H +ATOM 1161 N SER A 127 7.546 -36.331 22.400 1.00 50.07 N +ATOM 1162 CA SER A 127 8.048 -37.686 22.199 1.00 58.82 C +ATOM 1163 C SER A 127 7.286 -38.470 21.131 1.00 54.59 C +ATOM 1164 O SER A 127 7.868 -39.313 20.451 1.00 54.23 O +ATOM 1165 CB SER A 127 8.033 -38.453 23.528 1.00 69.87 C +ATOM 1166 OG SER A 127 8.619 -37.689 24.580 1.00 74.45 O +ATOM 1167 H SER A 127 7.134 -36.145 23.270 1.00 15.00 H +ATOM 1168 HG SER A 127 9.519 -37.456 24.343 1.00 15.00 H +ATOM 1169 N GLY A 128 5.983 -38.233 21.020 1.00 52.82 N +ATOM 1170 CA GLY A 128 5.195 -38.933 20.017 1.00 54.25 C +ATOM 1171 C GLY A 128 4.082 -39.842 20.513 1.00 51.96 C +ATOM 1172 O GLY A 128 3.540 -40.653 19.746 1.00 57.95 O +ATOM 1173 H GLY A 128 5.564 -37.571 21.609 1.00 15.00 H +ATOM 1174 N GLY A 129 3.701 -39.682 21.774 1.00 43.84 N +ATOM 1175 CA GLY A 129 2.653 -40.511 22.335 1.00 35.18 C +ATOM 1176 C GLY A 129 1.812 -39.668 23.252 1.00 34.77 C +ATOM 1177 O GLY A 129 2.209 -38.553 23.587 1.00 37.55 O +ATOM 1178 H GLY A 129 4.096 -38.987 22.347 1.00 15.00 H +ATOM 1179 N ALA A 130 0.662 -40.185 23.666 1.00 33.77 N +ATOM 1180 CA ALA A 130 -0.213 -39.425 24.539 1.00 26.95 C +ATOM 1181 C ALA A 130 -0.850 -40.327 25.565 1.00 28.03 C +ATOM 1182 O ALA A 130 -1.455 -41.331 25.224 1.00 29.02 O +ATOM 1183 CB ALA A 130 -1.272 -38.736 23.732 1.00 37.73 C +ATOM 1184 H ALA A 130 0.389 -41.094 23.401 1.00 15.00 H +ATOM 1185 N SER A 131 -0.723 -39.952 26.828 1.00 22.96 N +ATOM 1186 CA SER A 131 -1.284 -40.741 27.887 1.00 7.54 C +ATOM 1187 C SER A 131 -2.120 -39.825 28.760 1.00 11.64 C +ATOM 1188 O SER A 131 -1.639 -38.797 29.237 1.00 14.99 O +ATOM 1189 CB SER A 131 -0.147 -41.389 28.658 1.00 11.87 C +ATOM 1190 OG SER A 131 0.628 -42.217 27.802 1.00 13.91 O +ATOM 1191 H SER A 131 -0.260 -39.125 27.055 1.00 15.00 H +ATOM 1192 HG SER A 131 1.131 -41.699 27.165 1.00 15.00 H +ATOM 1193 N VAL A 132 -3.406 -40.123 28.833 1.00 11.52 N +ATOM 1194 CA VAL A 132 -4.327 -39.352 29.636 1.00 14.17 C +ATOM 1195 C VAL A 132 -4.470 -40.227 30.868 1.00 24.19 C +ATOM 1196 O VAL A 132 -4.794 -41.420 30.764 1.00 29.81 O +ATOM 1197 CB VAL A 132 -5.700 -39.211 28.925 1.00 18.94 C +ATOM 1198 CG1 VAL A 132 -6.543 -38.099 29.558 1.00 2.68 C +ATOM 1199 CG2 VAL A 132 -5.500 -38.963 27.459 1.00 17.89 C +ATOM 1200 H VAL A 132 -3.753 -40.907 28.364 1.00 15.00 H +ATOM 1201 N VAL A 133 -4.195 -39.656 32.030 1.00 29.21 N +ATOM 1202 CA VAL A 133 -4.278 -40.415 33.263 1.00 19.20 C +ATOM 1203 C VAL A 133 -5.379 -39.904 34.145 1.00 19.02 C +ATOM 1204 O VAL A 133 -5.637 -38.703 34.232 1.00 18.47 O +ATOM 1205 CB VAL A 133 -2.958 -40.387 34.025 1.00 17.83 C +ATOM 1206 CG1 VAL A 133 -3.121 -41.049 35.363 1.00 27.65 C +ATOM 1207 CG2 VAL A 133 -1.889 -41.112 33.227 1.00 26.53 C +ATOM 1208 H VAL A 133 -3.955 -38.705 32.056 1.00 15.00 H +ATOM 1209 N CYS A 134 -6.024 -40.834 34.817 1.00 17.97 N +ATOM 1210 CA CYS A 134 -7.100 -40.484 35.692 1.00 21.36 C +ATOM 1211 C CYS A 134 -6.874 -41.173 37.038 1.00 25.95 C +ATOM 1212 O CYS A 134 -6.654 -42.387 37.087 1.00 27.44 O +ATOM 1213 CB CYS A 134 -8.397 -40.915 35.051 1.00 18.78 C +ATOM 1214 SG CYS A 134 -9.810 -40.082 35.808 1.00 38.15 S +ATOM 1215 H CYS A 134 -5.774 -41.777 34.734 1.00 15.00 H +ATOM 1216 N PHE A 135 -6.917 -40.392 38.116 1.00 20.40 N +ATOM 1217 CA PHE A 135 -6.685 -40.892 39.461 1.00 7.91 C +ATOM 1218 C PHE A 135 -7.929 -40.978 40.329 1.00 11.49 C +ATOM 1219 O PHE A 135 -8.451 -39.955 40.773 1.00 23.82 O +ATOM 1220 CB PHE A 135 -5.670 -39.987 40.166 1.00 7.57 C +ATOM 1221 CG PHE A 135 -4.249 -40.145 39.670 1.00 3.01 C +ATOM 1222 CD1 PHE A 135 -3.757 -41.388 39.304 1.00 2.00 C +ATOM 1223 CD2 PHE A 135 -3.410 -39.037 39.570 1.00 2.00 C +ATOM 1224 CE1 PHE A 135 -2.448 -41.532 38.838 1.00 16.48 C +ATOM 1225 CE2 PHE A 135 -2.110 -39.165 39.109 1.00 2.00 C +ATOM 1226 CZ PHE A 135 -1.624 -40.418 38.738 1.00 10.26 C +ATOM 1227 H PHE A 135 -7.114 -39.451 38.008 1.00 15.00 H +ATOM 1228 N LEU A 136 -8.393 -42.188 40.601 1.00 12.12 N +ATOM 1229 CA LEU A 136 -9.567 -42.366 41.466 1.00 21.34 C +ATOM 1230 C LEU A 136 -9.046 -42.672 42.866 1.00 21.95 C +ATOM 1231 O LEU A 136 -9.000 -43.829 43.271 1.00 20.83 O +ATOM 1232 CB LEU A 136 -10.412 -43.562 41.024 1.00 23.64 C +ATOM 1233 CG LEU A 136 -10.996 -43.688 39.624 1.00 24.60 C +ATOM 1234 CD1 LEU A 136 -11.997 -42.583 39.441 1.00 26.21 C +ATOM 1235 CD2 LEU A 136 -9.899 -43.659 38.556 1.00 22.98 C +ATOM 1236 H LEU A 136 -7.920 -42.972 40.257 1.00 15.00 H +ATOM 1237 N ASN A 137 -8.664 -41.647 43.610 1.00 22.65 N +ATOM 1238 CA ASN A 137 -8.114 -41.859 44.947 1.00 21.29 C +ATOM 1239 C ASN A 137 -9.105 -42.156 46.083 1.00 30.51 C +ATOM 1240 O ASN A 137 -10.325 -42.113 45.903 1.00 37.54 O +ATOM 1241 CB ASN A 137 -7.208 -40.685 45.339 1.00 10.85 C +ATOM 1242 CG ASN A 137 -5.941 -40.617 44.508 1.00 20.51 C +ATOM 1243 OD1 ASN A 137 -5.342 -41.644 44.160 1.00 21.05 O +ATOM 1244 ND2 ASN A 137 -5.510 -39.400 44.199 1.00 23.89 N +ATOM 1245 H ASN A 137 -8.780 -40.745 43.236 1.00 15.00 H +ATOM 1246 HD21 ASN A 137 -4.698 -39.290 43.668 1.00 15.00 H +ATOM 1247 HD22 ASN A 137 -6.031 -38.629 44.510 1.00 15.00 H +ATOM 1248 N ASN A 138 -8.525 -42.505 47.235 1.00 26.87 N +ATOM 1249 CA ASN A 138 -9.201 -42.806 48.490 1.00 20.84 C +ATOM 1250 C ASN A 138 -10.674 -43.157 48.437 1.00 29.59 C +ATOM 1251 O ASN A 138 -11.522 -42.277 48.585 1.00 35.16 O +ATOM 1252 CB ASN A 138 -9.040 -41.622 49.433 1.00 29.29 C +ATOM 1253 CG ASN A 138 -7.655 -41.042 49.391 1.00 38.89 C +ATOM 1254 OD1 ASN A 138 -6.671 -41.775 49.311 1.00 43.02 O +ATOM 1255 ND2 ASN A 138 -7.562 -39.718 49.405 1.00 50.32 N +ATOM 1256 H ASN A 138 -7.551 -42.585 47.236 1.00 15.00 H +ATOM 1257 HD21 ASN A 138 -6.676 -39.303 49.399 1.00 15.00 H +ATOM 1258 HD22 ASN A 138 -8.394 -39.197 49.437 1.00 15.00 H +ATOM 1259 N PHE A 139 -10.981 -44.442 48.317 1.00 25.42 N +ATOM 1260 CA PHE A 139 -12.368 -44.868 48.283 1.00 23.56 C +ATOM 1261 C PHE A 139 -12.546 -46.278 48.799 1.00 33.08 C +ATOM 1262 O PHE A 139 -11.583 -47.035 48.913 1.00 43.33 O +ATOM 1263 CB PHE A 139 -12.886 -44.816 46.866 1.00 15.53 C +ATOM 1264 CG PHE A 139 -12.235 -45.795 45.956 1.00 2.00 C +ATOM 1265 CD1 PHE A 139 -11.026 -45.504 45.366 1.00 2.00 C +ATOM 1266 CD2 PHE A 139 -12.848 -46.994 45.663 1.00 3.40 C +ATOM 1267 CE1 PHE A 139 -10.430 -46.402 44.478 1.00 3.17 C +ATOM 1268 CE2 PHE A 139 -12.265 -47.900 44.779 1.00 6.55 C +ATOM 1269 CZ PHE A 139 -11.051 -47.601 44.183 1.00 2.00 C +ATOM 1270 H PHE A 139 -10.275 -45.114 48.206 1.00 15.00 H +ATOM 1271 N TYR A 140 -13.798 -46.629 49.069 1.00 37.14 N +ATOM 1272 CA TYR A 140 -14.176 -47.954 49.555 1.00 43.87 C +ATOM 1273 C TYR A 140 -15.667 -48.116 49.280 1.00 41.42 C +ATOM 1274 O TYR A 140 -16.432 -47.152 49.445 1.00 41.96 O +ATOM 1275 CB TYR A 140 -13.936 -48.083 51.070 1.00 54.44 C +ATOM 1276 CG TYR A 140 -14.412 -49.414 51.609 1.00 60.35 C +ATOM 1277 CD1 TYR A 140 -13.610 -50.545 51.508 1.00 61.41 C +ATOM 1278 CD2 TYR A 140 -15.712 -49.574 52.093 1.00 64.20 C +ATOM 1279 CE1 TYR A 140 -14.085 -51.804 51.853 1.00 65.86 C +ATOM 1280 CE2 TYR A 140 -16.201 -50.835 52.442 1.00 70.17 C +ATOM 1281 CZ TYR A 140 -15.379 -51.947 52.312 1.00 68.81 C +ATOM 1282 OH TYR A 140 -15.849 -53.211 52.593 1.00 70.14 O +ATOM 1283 H TYR A 140 -14.516 -45.965 48.958 1.00 15.00 H +ATOM 1284 HH TYR A 140 -15.154 -53.852 52.426 1.00 15.00 H +ATOM 1285 N PRO A 141 -16.112 -49.322 48.873 1.00 32.85 N +ATOM 1286 CA PRO A 141 -15.380 -50.568 48.638 1.00 37.48 C +ATOM 1287 C PRO A 141 -14.490 -50.527 47.417 1.00 39.63 C +ATOM 1288 O PRO A 141 -14.490 -49.550 46.677 1.00 43.67 O +ATOM 1289 CB PRO A 141 -16.501 -51.588 48.447 1.00 49.05 C +ATOM 1290 CG PRO A 141 -17.629 -51.023 49.253 1.00 45.16 C +ATOM 1291 CD PRO A 141 -17.561 -49.580 48.861 1.00 38.38 C +ATOM 1292 N LYS A 142 -13.768 -51.622 47.204 1.00 42.60 N +ATOM 1293 CA LYS A 142 -12.845 -51.773 46.083 1.00 46.40 C +ATOM 1294 C LYS A 142 -13.599 -51.811 44.762 1.00 44.81 C +ATOM 1295 O LYS A 142 -13.077 -51.403 43.728 1.00 51.97 O +ATOM 1296 CB LYS A 142 -12.030 -53.070 46.246 1.00 50.21 C +ATOM 1297 CG LYS A 142 -10.787 -53.180 45.347 1.00 58.59 C +ATOM 1298 CD LYS A 142 -10.154 -54.578 45.387 1.00 65.63 C +ATOM 1299 CE LYS A 142 -11.045 -55.622 44.711 1.00 67.96 C +ATOM 1300 NZ LYS A 142 -10.467 -56.993 44.766 1.00 72.72 N +ATOM 1301 H LYS A 142 -13.841 -52.371 47.829 1.00 15.00 H +ATOM 1302 HZ1 LYS A 142 -9.533 -56.995 44.311 1.00 15.00 H +ATOM 1303 HZ2 LYS A 142 -10.379 -57.290 45.758 1.00 15.00 H +ATOM 1304 HZ3 LYS A 142 -11.104 -57.642 44.263 1.00 15.00 H +ATOM 1305 N ASP A 143 -14.821 -52.327 44.801 1.00 46.90 N +ATOM 1306 CA ASP A 143 -15.637 -52.437 43.603 1.00 49.95 C +ATOM 1307 C ASP A 143 -15.923 -51.061 43.035 1.00 45.36 C +ATOM 1308 O ASP A 143 -16.538 -50.223 43.700 1.00 44.76 O +ATOM 1309 CB ASP A 143 -16.954 -53.156 43.908 1.00 62.33 C +ATOM 1310 CG ASP A 143 -16.744 -54.527 44.522 1.00 71.36 C +ATOM 1311 OD1 ASP A 143 -16.207 -55.423 43.831 1.00 77.50 O +ATOM 1312 OD2 ASP A 143 -17.116 -54.703 45.703 1.00 75.14 O +ATOM 1313 H ASP A 143 -15.186 -52.627 45.650 1.00 15.00 H +ATOM 1314 N ILE A 144 -15.427 -50.833 41.823 1.00 37.76 N +ATOM 1315 CA ILE A 144 -15.610 -49.581 41.108 1.00 28.82 C +ATOM 1316 C ILE A 144 -15.310 -49.879 39.659 1.00 31.12 C +ATOM 1317 O ILE A 144 -14.544 -50.795 39.359 1.00 31.52 O +ATOM 1318 CB ILE A 144 -14.639 -48.509 41.578 1.00 19.41 C +ATOM 1319 CG1 ILE A 144 -15.090 -47.149 41.051 1.00 19.52 C +ATOM 1320 CG2 ILE A 144 -13.242 -48.830 41.087 1.00 17.11 C +ATOM 1321 CD1 ILE A 144 -14.432 -45.962 41.709 1.00 13.99 C +ATOM 1322 H ILE A 144 -14.893 -51.526 41.379 1.00 15.00 H +ATOM 1323 N ASN A 145 -15.922 -49.125 38.759 1.00 32.85 N +ATOM 1324 CA ASN A 145 -15.689 -49.348 37.352 1.00 35.20 C +ATOM 1325 C ASN A 145 -15.525 -48.027 36.682 1.00 35.75 C +ATOM 1326 O ASN A 145 -16.348 -47.126 36.855 1.00 38.79 O +ATOM 1327 CB ASN A 145 -16.857 -50.082 36.718 1.00 42.66 C +ATOM 1328 CG ASN A 145 -16.418 -50.978 35.598 1.00 50.46 C +ATOM 1329 OD1 ASN A 145 -15.340 -50.795 35.029 1.00 59.54 O +ATOM 1330 ND2 ASN A 145 -17.221 -51.986 35.301 1.00 50.59 N +ATOM 1331 H ASN A 145 -16.540 -48.410 39.035 1.00 15.00 H +ATOM 1332 HD21 ASN A 145 -16.933 -52.570 34.574 1.00 15.00 H +ATOM 1333 HD22 ASN A 145 -18.046 -52.091 35.817 1.00 15.00 H +ATOM 1334 N VAL A 146 -14.431 -47.888 35.959 1.00 34.31 N +ATOM 1335 CA VAL A 146 -14.173 -46.657 35.256 1.00 45.05 C +ATOM 1336 C VAL A 146 -14.174 -46.963 33.775 1.00 50.62 C +ATOM 1337 O VAL A 146 -13.885 -48.088 33.358 1.00 54.00 O +ATOM 1338 CB VAL A 146 -12.835 -46.037 35.661 1.00 43.88 C +ATOM 1339 CG1 VAL A 146 -12.835 -45.734 37.145 1.00 44.21 C +ATOM 1340 CG2 VAL A 146 -11.694 -46.965 35.300 1.00 56.02 C +ATOM 1341 H VAL A 146 -13.828 -48.650 35.826 1.00 15.00 H +ATOM 1342 N LYS A 147 -14.541 -45.966 32.987 1.00 53.34 N +ATOM 1343 CA LYS A 147 -14.588 -46.107 31.545 1.00 54.78 C +ATOM 1344 C LYS A 147 -14.256 -44.766 30.917 1.00 49.34 C +ATOM 1345 O LYS A 147 -14.704 -43.720 31.392 1.00 43.38 O +ATOM 1346 CB LYS A 147 -15.973 -46.598 31.108 1.00 61.36 C +ATOM 1347 CG LYS A 147 -17.140 -45.881 31.778 1.00 65.52 C +ATOM 1348 CD LYS A 147 -18.386 -46.764 31.833 1.00 74.86 C +ATOM 1349 CE LYS A 147 -18.880 -47.161 30.445 1.00 81.40 C +ATOM 1350 NZ LYS A 147 -20.088 -48.038 30.503 1.00 80.70 N +ATOM 1351 H LYS A 147 -14.812 -45.105 33.377 1.00 15.00 H +ATOM 1352 HZ1 LYS A 147 -19.873 -48.905 31.034 1.00 15.00 H +ATOM 1353 HZ2 LYS A 147 -20.856 -47.522 30.976 1.00 15.00 H +ATOM 1354 HZ3 LYS A 147 -20.378 -48.281 29.534 1.00 15.00 H +ATOM 1355 N TRP A 148 -13.377 -44.797 29.925 1.00 47.39 N +ATOM 1356 CA TRP A 148 -12.983 -43.585 29.228 1.00 52.38 C +ATOM 1357 C TRP A 148 -13.954 -43.308 28.094 1.00 55.48 C +ATOM 1358 O TRP A 148 -14.600 -44.226 27.578 1.00 60.19 O +ATOM 1359 CB TRP A 148 -11.571 -43.713 28.674 1.00 51.17 C +ATOM 1360 CG TRP A 148 -10.506 -43.701 29.723 1.00 51.60 C +ATOM 1361 CD1 TRP A 148 -10.007 -44.776 30.401 1.00 44.65 C +ATOM 1362 CD2 TRP A 148 -9.773 -42.561 30.180 1.00 46.70 C +ATOM 1363 NE1 TRP A 148 -9.004 -44.377 31.245 1.00 39.96 N +ATOM 1364 CE2 TRP A 148 -8.836 -43.024 31.132 1.00 43.47 C +ATOM 1365 CE3 TRP A 148 -9.812 -41.195 29.874 1.00 38.94 C +ATOM 1366 CZ2 TRP A 148 -7.943 -42.169 31.783 1.00 43.98 C +ATOM 1367 CZ3 TRP A 148 -8.924 -40.346 30.520 1.00 42.13 C +ATOM 1368 CH2 TRP A 148 -8.001 -40.838 31.466 1.00 44.54 C +ATOM 1369 H TRP A 148 -13.012 -45.655 29.640 1.00 15.00 H +ATOM 1370 HE1 TRP A 148 -8.521 -44.968 31.869 1.00 15.00 H +ATOM 1371 N LYS A 149 -14.069 -42.036 27.736 1.00 51.92 N +ATOM 1372 CA LYS A 149 -14.946 -41.593 26.663 1.00 49.17 C +ATOM 1373 C LYS A 149 -14.206 -40.506 25.914 1.00 50.50 C +ATOM 1374 O LYS A 149 -13.702 -39.578 26.535 1.00 62.21 O +ATOM 1375 CB LYS A 149 -16.237 -41.001 27.229 1.00 40.14 C +ATOM 1376 CG LYS A 149 -17.240 -42.017 27.742 1.00 42.38 C +ATOM 1377 CD LYS A 149 -18.431 -41.318 28.360 1.00 47.79 C +ATOM 1378 CE LYS A 149 -19.632 -42.242 28.485 1.00 56.06 C +ATOM 1379 NZ LYS A 149 -20.857 -41.467 28.881 1.00 64.06 N +ATOM 1380 H LYS A 149 -13.557 -41.350 28.212 1.00 15.00 H +ATOM 1381 HZ1 LYS A 149 -21.056 -40.726 28.180 1.00 15.00 H +ATOM 1382 HZ2 LYS A 149 -21.669 -42.114 28.940 1.00 15.00 H +ATOM 1383 HZ3 LYS A 149 -20.700 -41.030 29.811 1.00 15.00 H +ATOM 1384 N ILE A 150 -14.076 -40.647 24.601 1.00 49.06 N +ATOM 1385 CA ILE A 150 -13.403 -39.632 23.802 1.00 49.64 C +ATOM 1386 C ILE A 150 -14.427 -38.525 23.469 1.00 56.46 C +ATOM 1387 O ILE A 150 -14.995 -37.908 24.377 1.00 60.53 O +ATOM 1388 CB ILE A 150 -12.775 -40.235 22.518 1.00 43.60 C +ATOM 1389 CG1 ILE A 150 -11.832 -41.389 22.867 1.00 41.44 C +ATOM 1390 CG2 ILE A 150 -11.958 -39.201 21.796 1.00 40.75 C +ATOM 1391 CD1 ILE A 150 -10.495 -40.980 23.422 1.00 23.72 C +ATOM 1392 H ILE A 150 -14.445 -41.454 24.184 1.00 15.00 H +ATOM 1393 N ASP A 151 -14.707 -38.290 22.192 1.00 56.78 N +ATOM 1394 CA ASP A 151 -15.651 -37.237 21.846 1.00 62.92 C +ATOM 1395 C ASP A 151 -17.060 -37.679 22.189 1.00 68.17 C +ATOM 1396 O ASP A 151 -17.411 -38.856 22.040 1.00 63.32 O +ATOM 1397 CB ASP A 151 -15.550 -36.849 20.361 1.00 63.73 C +ATOM 1398 CG ASP A 151 -14.251 -36.121 20.023 1.00 58.12 C +ATOM 1399 OD1 ASP A 151 -13.729 -35.369 20.870 1.00 54.90 O +ATOM 1400 OD2 ASP A 151 -13.756 -36.298 18.893 1.00 62.09 O +ATOM 1401 H ASP A 151 -14.370 -38.844 21.472 1.00 15.00 H +ATOM 1402 N GLY A 152 -17.852 -36.733 22.679 1.00 78.33 N +ATOM 1403 CA GLY A 152 -19.220 -37.028 23.049 1.00 92.87 C +ATOM 1404 C GLY A 152 -19.273 -37.983 24.224 1.00102.04 C +ATOM 1405 O GLY A 152 -19.160 -37.561 25.379 1.00105.28 O +ATOM 1406 H GLY A 152 -17.502 -35.835 22.826 1.00 15.00 H +ATOM 1407 N SER A 153 -19.406 -39.274 23.922 1.00107.60 N +ATOM 1408 CA SER A 153 -19.485 -40.321 24.942 1.00114.09 C +ATOM 1409 C SER A 153 -19.114 -41.695 24.357 1.00113.33 C +ATOM 1410 O SER A 153 -19.761 -42.703 24.649 1.00115.43 O +ATOM 1411 CB SER A 153 -20.900 -40.375 25.552 1.00118.28 C +ATOM 1412 OG SER A 153 -21.273 -39.151 26.175 1.00125.61 O +ATOM 1413 H SER A 153 -19.429 -39.530 22.978 1.00 15.00 H +ATOM 1414 HG SER A 153 -20.478 -38.709 26.505 1.00 15.00 H +ATOM 1415 N GLU A 154 -18.064 -41.732 23.543 1.00109.99 N +ATOM 1416 CA GLU A 154 -17.620 -42.976 22.921 1.00107.49 C +ATOM 1417 C GLU A 154 -16.604 -43.702 23.806 1.00103.50 C +ATOM 1418 O GLU A 154 -15.555 -43.149 24.124 1.00107.07 O +ATOM 1419 CB GLU A 154 -17.032 -42.666 21.545 1.00113.30 C +ATOM 1420 CG GLU A 154 -18.001 -41.907 20.645 1.00124.05 C +ATOM 1421 CD GLU A 154 -17.354 -41.381 19.382 1.00131.23 C +ATOM 1422 OE1 GLU A 154 -17.282 -42.135 18.390 1.00135.26 O +ATOM 1423 OE2 GLU A 154 -16.928 -40.207 19.377 1.00136.23 O +ATOM 1424 H GLU A 154 -17.566 -40.905 23.368 1.00 15.00 H +ATOM 1425 N ARG A 155 -16.930 -44.928 24.207 1.00 98.63 N +ATOM 1426 CA ARG A 155 -16.068 -45.733 25.075 1.00 97.26 C +ATOM 1427 C ARG A 155 -14.877 -46.335 24.323 1.00 90.20 C +ATOM 1428 O ARG A 155 -14.950 -46.549 23.112 1.00 86.66 O +ATOM 1429 CB ARG A 155 -16.898 -46.848 25.734 1.00110.06 C +ATOM 1430 CG ARG A 155 -16.306 -47.412 27.026 1.00128.01 C +ATOM 1431 CD ARG A 155 -17.142 -48.562 27.595 1.00140.00 C +ATOM 1432 NE ARG A 155 -16.989 -49.806 26.838 1.00154.89 N +ATOM 1433 CZ ARG A 155 -15.949 -50.632 26.943 1.00162.51 C +ATOM 1434 NH1 ARG A 155 -14.952 -50.358 27.777 1.00166.60 N +ATOM 1435 NH2 ARG A 155 -15.903 -51.739 26.212 1.00164.16 N +ATOM 1436 H ARG A 155 -17.773 -45.310 23.898 1.00 15.00 H +ATOM 1437 HE ARG A 155 -17.703 -50.048 26.211 1.00 15.00 H +ATOM 1438 HH11 ARG A 155 -14.969 -49.528 28.333 1.00 15.00 H +ATOM 1439 HH12 ARG A 155 -14.177 -50.986 27.845 1.00 15.00 H +ATOM 1440 HH21 ARG A 155 -16.649 -51.957 25.582 1.00 15.00 H +ATOM 1441 HH22 ARG A 155 -15.123 -52.359 26.297 1.00 15.00 H +ATOM 1442 N GLN A 156 -13.809 -46.644 25.060 1.00 83.07 N +ATOM 1443 CA GLN A 156 -12.587 -47.222 24.493 1.00 79.82 C +ATOM 1444 C GLN A 156 -12.160 -48.459 25.316 1.00 75.99 C +ATOM 1445 O GLN A 156 -12.630 -48.652 26.444 1.00 71.15 O +ATOM 1446 CB GLN A 156 -11.474 -46.155 24.471 1.00 80.14 C +ATOM 1447 CG GLN A 156 -10.193 -46.519 23.691 1.00 83.41 C +ATOM 1448 CD GLN A 156 -10.188 -46.045 22.237 1.00 86.82 C +ATOM 1449 OE1 GLN A 156 -11.068 -45.304 21.802 1.00 91.10 O +ATOM 1450 NE2 GLN A 156 -9.173 -46.458 21.487 1.00 89.48 N +ATOM 1451 H GLN A 156 -13.851 -46.499 26.028 1.00 15.00 H +ATOM 1452 HE21 GLN A 156 -9.196 -46.174 20.551 1.00 15.00 H +ATOM 1453 HE22 GLN A 156 -8.461 -47.014 21.861 1.00 15.00 H +ATOM 1454 N ASN A 157 -11.276 -49.284 24.748 1.00 69.44 N +ATOM 1455 CA ASN A 157 -10.798 -50.505 25.402 1.00 64.30 C +ATOM 1456 C ASN A 157 -9.294 -50.576 25.713 1.00 61.86 C +ATOM 1457 O ASN A 157 -8.890 -51.343 26.588 1.00 67.82 O +ATOM 1458 CB ASN A 157 -11.180 -51.734 24.568 1.00 67.19 C +ATOM 1459 CG ASN A 157 -10.291 -51.909 23.335 1.00 67.66 C +ATOM 1460 OD1 ASN A 157 -9.605 -50.977 22.908 1.00 63.69 O +ATOM 1461 ND2 ASN A 157 -10.308 -53.101 22.759 1.00 62.41 N +ATOM 1462 H ASN A 157 -10.949 -49.089 23.847 1.00 15.00 H +ATOM 1463 HD21 ASN A 157 -9.739 -53.214 21.970 1.00 15.00 H +ATOM 1464 HD22 ASN A 157 -10.876 -53.798 23.133 1.00 15.00 H +ATOM 1465 N GLY A 158 -8.464 -49.846 24.966 1.00 51.62 N +ATOM 1466 CA GLY A 158 -7.025 -49.866 25.211 1.00 47.13 C +ATOM 1467 C GLY A 158 -6.584 -49.076 26.445 1.00 51.24 C +ATOM 1468 O GLY A 158 -5.954 -48.018 26.328 1.00 51.62 O +ATOM 1469 H GLY A 158 -8.812 -49.328 24.217 1.00 15.00 H +ATOM 1470 N VAL A 159 -6.890 -49.600 27.632 1.00 47.57 N +ATOM 1471 CA VAL A 159 -6.554 -48.938 28.891 1.00 36.82 C +ATOM 1472 C VAL A 159 -5.606 -49.805 29.723 1.00 43.02 C +ATOM 1473 O VAL A 159 -5.418 -50.997 29.435 1.00 47.12 O +ATOM 1474 CB VAL A 159 -7.819 -48.675 29.740 1.00 28.91 C +ATOM 1475 CG1 VAL A 159 -7.607 -47.489 30.662 1.00 30.92 C +ATOM 1476 CG2 VAL A 159 -9.017 -48.447 28.861 1.00 29.48 C +ATOM 1477 H VAL A 159 -7.310 -50.491 27.654 1.00 15.00 H +ATOM 1478 N LEU A 160 -5.055 -49.206 30.781 1.00 36.81 N +ATOM 1479 CA LEU A 160 -4.122 -49.873 31.688 1.00 25.17 C +ATOM 1480 C LEU A 160 -4.492 -49.459 33.099 1.00 23.73 C +ATOM 1481 O LEU A 160 -4.173 -48.349 33.522 1.00 24.70 O +ATOM 1482 CB LEU A 160 -2.720 -49.372 31.407 1.00 27.70 C +ATOM 1483 CG LEU A 160 -1.549 -50.319 31.574 1.00 20.96 C +ATOM 1484 CD1 LEU A 160 -1.435 -51.180 30.318 1.00 10.18 C +ATOM 1485 CD2 LEU A 160 -0.282 -49.487 31.769 1.00 21.64 C +ATOM 1486 H LEU A 160 -5.241 -48.259 30.948 1.00 15.00 H +ATOM 1487 N ASN A 161 -5.149 -50.346 33.834 1.00 29.21 N +ATOM 1488 CA ASN A 161 -5.581 -50.031 35.196 1.00 24.51 C +ATOM 1489 C ASN A 161 -4.705 -50.614 36.277 1.00 19.76 C +ATOM 1490 O ASN A 161 -4.045 -51.633 36.066 1.00 16.77 O +ATOM 1491 CB ASN A 161 -7.007 -50.501 35.404 1.00 28.85 C +ATOM 1492 CG ASN A 161 -7.961 -49.813 34.489 1.00 34.58 C +ATOM 1493 OD1 ASN A 161 -7.750 -48.658 34.135 1.00 46.18 O +ATOM 1494 ND2 ASN A 161 -9.010 -50.511 34.074 1.00 42.80 N +ATOM 1495 H ASN A 161 -5.313 -51.225 33.452 1.00 15.00 H +ATOM 1496 HD21 ASN A 161 -9.655 -50.065 33.481 1.00 15.00 H +ATOM 1497 HD22 ASN A 161 -9.115 -51.435 34.375 1.00 15.00 H +ATOM 1498 N SER A 162 -4.759 -50.000 37.453 1.00 13.58 N +ATOM 1499 CA SER A 162 -3.972 -50.450 38.584 1.00 11.96 C +ATOM 1500 C SER A 162 -4.533 -49.908 39.890 1.00 15.05 C +ATOM 1501 O SER A 162 -4.737 -48.700 40.025 1.00 13.12 O +ATOM 1502 CB SER A 162 -2.523 -49.989 38.411 1.00 15.50 C +ATOM 1503 OG SER A 162 -1.721 -50.348 39.519 1.00 20.98 O +ATOM 1504 H SER A 162 -5.299 -49.194 37.571 1.00 15.00 H +ATOM 1505 HG SER A 162 -0.828 -50.587 39.214 1.00 15.00 H +ATOM 1506 N TRP A 163 -4.819 -50.811 40.830 1.00 23.79 N +ATOM 1507 CA TRP A 163 -5.322 -50.447 42.159 1.00 26.24 C +ATOM 1508 C TRP A 163 -4.211 -50.740 43.146 1.00 23.23 C +ATOM 1509 O TRP A 163 -3.289 -51.496 42.856 1.00 28.92 O +ATOM 1510 CB TRP A 163 -6.475 -51.333 42.618 1.00 27.13 C +ATOM 1511 CG TRP A 163 -7.659 -51.410 41.767 1.00 32.68 C +ATOM 1512 CD1 TRP A 163 -8.936 -51.120 42.136 1.00 33.87 C +ATOM 1513 CD2 TRP A 163 -7.734 -51.959 40.449 1.00 35.07 C +ATOM 1514 NE1 TRP A 163 -9.805 -51.476 41.140 1.00 40.52 N +ATOM 1515 CE2 TRP A 163 -9.093 -51.991 40.090 1.00 42.42 C +ATOM 1516 CE3 TRP A 163 -6.783 -52.436 39.538 1.00 44.58 C +ATOM 1517 CZ2 TRP A 163 -9.529 -52.484 38.854 1.00 52.35 C +ATOM 1518 CZ3 TRP A 163 -7.215 -52.927 38.307 1.00 46.19 C +ATOM 1519 CH2 TRP A 163 -8.574 -52.946 37.979 1.00 47.18 C +ATOM 1520 H TRP A 163 -4.618 -51.753 40.669 1.00 15.00 H +ATOM 1521 HE1 TRP A 163 -10.781 -51.366 41.179 1.00 15.00 H +ATOM 1522 N THR A 164 -4.353 -50.204 44.343 1.00 25.87 N +ATOM 1523 CA THR A 164 -3.396 -50.444 45.406 1.00 37.87 C +ATOM 1524 C THR A 164 -4.050 -51.375 46.429 1.00 42.06 C +ATOM 1525 O THR A 164 -5.220 -51.731 46.292 1.00 51.06 O +ATOM 1526 CB THR A 164 -2.972 -49.141 46.096 1.00 36.06 C +ATOM 1527 OG1 THR A 164 -4.128 -48.440 46.563 1.00 38.55 O +ATOM 1528 CG2 THR A 164 -2.209 -48.267 45.141 1.00 40.15 C +ATOM 1529 H THR A 164 -5.125 -49.630 44.528 1.00 15.00 H +ATOM 1530 HG1 THR A 164 -4.453 -48.904 47.349 1.00 15.00 H +ATOM 1531 N ASP A 165 -3.277 -51.833 47.406 1.00 45.41 N +ATOM 1532 CA ASP A 165 -3.821 -52.697 48.445 1.00 39.84 C +ATOM 1533 C ASP A 165 -4.499 -51.761 49.426 1.00 37.00 C +ATOM 1534 O ASP A 165 -4.224 -50.562 49.426 1.00 39.39 O +ATOM 1535 CB ASP A 165 -2.699 -53.465 49.149 1.00 47.76 C +ATOM 1536 CG ASP A 165 -2.175 -54.626 48.323 1.00 54.37 C +ATOM 1537 OD1 ASP A 165 -2.988 -55.516 47.991 1.00 57.64 O +ATOM 1538 OD2 ASP A 165 -0.958 -54.658 48.019 1.00 52.62 O +ATOM 1539 H ASP A 165 -2.336 -51.583 47.451 1.00 15.00 H +ATOM 1540 N GLN A 166 -5.387 -52.290 50.255 1.00 28.34 N +ATOM 1541 CA GLN A 166 -6.077 -51.460 51.228 1.00 22.42 C +ATOM 1542 C GLN A 166 -5.067 -50.676 52.048 1.00 26.39 C +ATOM 1543 O GLN A 166 -4.198 -51.253 52.691 1.00 36.39 O +ATOM 1544 CB GLN A 166 -6.923 -52.331 52.141 1.00 26.46 C +ATOM 1545 CG GLN A 166 -7.623 -51.579 53.246 1.00 28.83 C +ATOM 1546 CD GLN A 166 -8.619 -52.453 53.969 1.00 42.04 C +ATOM 1547 OE1 GLN A 166 -8.545 -53.687 53.907 1.00 41.20 O +ATOM 1548 NE2 GLN A 166 -9.570 -51.825 54.649 1.00 43.39 N +ATOM 1549 H GLN A 166 -5.563 -53.248 50.229 1.00 15.00 H +ATOM 1550 HE21 GLN A 166 -10.257 -52.361 55.090 1.00 15.00 H +ATOM 1551 HE22 GLN A 166 -9.565 -50.848 54.650 1.00 15.00 H +ATOM 1552 N ASP A 167 -5.160 -49.357 51.999 1.00 40.35 N +ATOM 1553 CA ASP A 167 -4.243 -48.497 52.740 1.00 54.09 C +ATOM 1554 C ASP A 167 -4.336 -48.727 54.234 1.00 55.25 C +ATOM 1555 O ASP A 167 -5.425 -48.836 54.787 1.00 56.60 O +ATOM 1556 CB ASP A 167 -4.525 -47.017 52.443 1.00 60.72 C +ATOM 1557 CG ASP A 167 -3.600 -46.072 53.210 1.00 62.91 C +ATOM 1558 OD1 ASP A 167 -2.367 -46.136 53.017 1.00 68.20 O +ATOM 1559 OD2 ASP A 167 -4.109 -45.257 54.004 1.00 65.31 O +ATOM 1560 H ASP A 167 -5.843 -48.963 51.434 1.00 15.00 H +ATOM 1561 N SER A 168 -3.179 -48.717 54.880 1.00 60.49 N +ATOM 1562 CA SER A 168 -3.060 -48.910 56.313 1.00 66.70 C +ATOM 1563 C SER A 168 -3.930 -47.948 57.122 1.00 71.39 C +ATOM 1564 O SER A 168 -4.867 -48.374 57.792 1.00 75.70 O +ATOM 1565 CB SER A 168 -1.594 -48.736 56.710 1.00 68.48 C +ATOM 1566 OG SER A 168 -1.082 -47.501 56.222 1.00 59.69 O +ATOM 1567 H SER A 168 -2.359 -48.573 54.370 1.00 15.00 H +ATOM 1568 HG SER A 168 -0.138 -47.462 56.424 1.00 15.00 H +ATOM 1569 N LYS A 169 -3.620 -46.654 57.044 1.00 74.09 N +ATOM 1570 CA LYS A 169 -4.356 -45.632 57.787 1.00 76.10 C +ATOM 1571 C LYS A 169 -5.827 -45.462 57.407 1.00 74.98 C +ATOM 1572 O LYS A 169 -6.715 -45.739 58.206 1.00 80.13 O +ATOM 1573 CB LYS A 169 -3.653 -44.270 57.692 1.00 87.04 C +ATOM 1574 CG LYS A 169 -4.390 -43.151 58.450 1.00100.88 C +ATOM 1575 CD LYS A 169 -3.855 -41.744 58.153 1.00108.11 C +ATOM 1576 CE LYS A 169 -4.660 -40.678 58.912 1.00111.75 C +ATOM 1577 NZ LYS A 169 -4.176 -39.282 58.689 1.00113.18 N +ATOM 1578 H LYS A 169 -2.857 -46.406 56.481 1.00 15.00 H +ATOM 1579 HZ1 LYS A 169 -3.176 -39.214 58.971 1.00 15.00 H +ATOM 1580 HZ2 LYS A 169 -4.267 -39.045 57.679 1.00 15.00 H +ATOM 1581 HZ3 LYS A 169 -4.737 -38.616 59.257 1.00 15.00 H +ATOM 1582 N ASP A 170 -6.072 -44.974 56.195 1.00 73.09 N +ATOM 1583 CA ASP A 170 -7.420 -44.716 55.688 1.00 67.57 C +ATOM 1584 C ASP A 170 -8.301 -45.944 55.486 1.00 57.23 C +ATOM 1585 O ASP A 170 -9.520 -45.828 55.432 1.00 65.56 O +ATOM 1586 CB ASP A 170 -7.332 -43.986 54.333 1.00 78.37 C +ATOM 1587 CG ASP A 170 -6.608 -42.639 54.413 1.00 92.28 C +ATOM 1588 OD1 ASP A 170 -5.392 -42.620 54.711 1.00100.87 O +ATOM 1589 OD2 ASP A 170 -7.252 -41.596 54.144 1.00 96.64 O +ATOM 1590 H ASP A 170 -5.306 -44.765 55.634 1.00 15.00 H +ATOM 1591 N SER A 171 -7.689 -47.107 55.319 1.00 45.37 N +ATOM 1592 CA SER A 171 -8.427 -48.340 55.056 1.00 42.39 C +ATOM 1593 C SER A 171 -9.068 -48.292 53.678 1.00 44.80 C +ATOM 1594 O SER A 171 -9.853 -49.174 53.336 1.00 45.77 O +ATOM 1595 CB SER A 171 -9.518 -48.596 56.101 1.00 37.71 C +ATOM 1596 OG SER A 171 -8.973 -49.035 57.330 1.00 45.53 O +ATOM 1597 H SER A 171 -6.717 -47.193 55.392 1.00 15.00 H +ATOM 1598 HG SER A 171 -8.370 -48.360 57.671 1.00 15.00 H +ATOM 1599 N THR A 172 -8.716 -47.283 52.883 1.00 43.57 N +ATOM 1600 CA THR A 172 -9.281 -47.125 51.544 1.00 41.72 C +ATOM 1601 C THR A 172 -8.411 -47.714 50.436 1.00 44.66 C +ATOM 1602 O THR A 172 -7.370 -48.323 50.695 1.00 48.19 O +ATOM 1603 CB THR A 172 -9.519 -45.653 51.217 1.00 37.47 C +ATOM 1604 OG1 THR A 172 -8.262 -44.965 51.183 1.00 42.86 O +ATOM 1605 CG2 THR A 172 -10.415 -45.014 52.262 1.00 37.86 C +ATOM 1606 H THR A 172 -8.058 -46.620 53.147 1.00 15.00 H +ATOM 1607 HG1 THR A 172 -8.399 -44.035 50.982 1.00 15.00 H +ATOM 1608 N TYR A 173 -8.866 -47.551 49.199 1.00 43.09 N +ATOM 1609 CA TYR A 173 -8.140 -48.029 48.034 1.00 38.53 C +ATOM 1610 C TYR A 173 -7.915 -46.848 47.122 1.00 31.15 C +ATOM 1611 O TYR A 173 -8.424 -45.755 47.370 1.00 43.70 O +ATOM 1612 CB TYR A 173 -8.953 -49.069 47.265 1.00 41.57 C +ATOM 1613 CG TYR A 173 -9.127 -50.387 47.974 1.00 48.87 C +ATOM 1614 CD1 TYR A 173 -8.081 -51.305 48.048 1.00 56.60 C +ATOM 1615 CD2 TYR A 173 -10.333 -50.712 48.578 1.00 47.47 C +ATOM 1616 CE1 TYR A 173 -8.236 -52.510 48.713 1.00 66.86 C +ATOM 1617 CE2 TYR A 173 -10.499 -51.909 49.243 1.00 57.79 C +ATOM 1618 CZ TYR A 173 -9.451 -52.803 49.312 1.00 67.18 C +ATOM 1619 OH TYR A 173 -9.624 -53.979 50.003 1.00 83.94 O +ATOM 1620 H TYR A 173 -9.720 -47.106 49.041 1.00 15.00 H +ATOM 1621 HH TYR A 173 -8.810 -54.486 50.031 1.00 15.00 H +ATOM 1622 N SER A 174 -7.135 -47.067 46.077 1.00 20.15 N +ATOM 1623 CA SER A 174 -6.865 -46.047 45.088 1.00 21.70 C +ATOM 1624 C SER A 174 -6.639 -46.752 43.766 1.00 26.97 C +ATOM 1625 O SER A 174 -6.389 -47.961 43.733 1.00 29.05 O +ATOM 1626 CB SER A 174 -5.684 -45.175 45.482 1.00 22.35 C +ATOM 1627 OG SER A 174 -6.016 -44.395 46.618 1.00 33.25 O +ATOM 1628 H SER A 174 -6.716 -47.941 45.933 1.00 15.00 H +ATOM 1629 HG SER A 174 -6.928 -44.632 46.846 1.00 15.00 H +ATOM 1630 N MET A 175 -6.799 -46.013 42.678 1.00 32.66 N +ATOM 1631 CA MET A 175 -6.659 -46.576 41.347 1.00 28.43 C +ATOM 1632 C MET A 175 -6.171 -45.538 40.355 1.00 26.35 C +ATOM 1633 O MET A 175 -6.474 -44.346 40.484 1.00 29.23 O +ATOM 1634 CB MET A 175 -8.009 -47.143 40.892 1.00 23.58 C +ATOM 1635 CG MET A 175 -8.155 -47.314 39.399 1.00 20.19 C +ATOM 1636 SD MET A 175 -9.682 -48.145 39.018 1.00 23.42 S +ATOM 1637 CE MET A 175 -9.265 -48.952 37.476 1.00 10.11 C +ATOM 1638 H MET A 175 -7.036 -45.063 42.755 1.00 15.00 H +ATOM 1639 N SER A 176 -5.407 -45.997 39.372 1.00 12.85 N +ATOM 1640 CA SER A 176 -4.892 -45.126 38.361 1.00 3.42 C +ATOM 1641 C SER A 176 -5.161 -45.796 37.044 1.00 19.31 C +ATOM 1642 O SER A 176 -4.608 -46.864 36.756 1.00 26.32 O +ATOM 1643 CB SER A 176 -3.401 -44.860 38.584 1.00 9.49 C +ATOM 1644 OG SER A 176 -2.608 -45.085 37.423 1.00 11.02 O +ATOM 1645 H SER A 176 -5.168 -46.946 39.338 1.00 15.00 H +ATOM 1646 HG SER A 176 -2.679 -46.018 37.172 1.00 15.00 H +ATOM 1647 N SER A 177 -6.097 -45.206 36.303 1.00 24.07 N +ATOM 1648 CA SER A 177 -6.483 -45.678 34.980 1.00 24.81 C +ATOM 1649 C SER A 177 -5.785 -44.774 33.977 1.00 17.88 C +ATOM 1650 O SER A 177 -5.849 -43.548 34.084 1.00 23.44 O +ATOM 1651 CB SER A 177 -7.993 -45.567 34.793 1.00 29.77 C +ATOM 1652 OG SER A 177 -8.370 -46.081 33.527 1.00 34.29 O +ATOM 1653 H SER A 177 -6.527 -44.390 36.638 1.00 15.00 H +ATOM 1654 HG SER A 177 -8.270 -47.037 33.554 1.00 15.00 H +ATOM 1655 N THR A 178 -5.161 -45.379 32.981 1.00 16.54 N +ATOM 1656 CA THR A 178 -4.423 -44.633 31.987 1.00 23.87 C +ATOM 1657 C THR A 178 -4.744 -45.047 30.556 1.00 32.28 C +ATOM 1658 O THR A 178 -4.597 -46.217 30.192 1.00 34.58 O +ATOM 1659 CB THR A 178 -2.920 -44.838 32.245 1.00 18.76 C +ATOM 1660 OG1 THR A 178 -2.539 -44.084 33.397 1.00 23.66 O +ATOM 1661 CG2 THR A 178 -2.077 -44.424 31.057 1.00 28.41 C +ATOM 1662 H THR A 178 -5.176 -46.356 32.919 1.00 15.00 H +ATOM 1663 HG1 THR A 178 -2.979 -44.455 34.166 1.00 15.00 H +ATOM 1664 N LEU A 179 -5.169 -44.078 29.751 1.00 37.10 N +ATOM 1665 CA LEU A 179 -5.486 -44.302 28.348 1.00 37.49 C +ATOM 1666 C LEU A 179 -4.242 -43.856 27.577 1.00 34.09 C +ATOM 1667 O LEU A 179 -3.779 -42.730 27.755 1.00 37.02 O +ATOM 1668 CB LEU A 179 -6.672 -43.420 27.959 1.00 33.37 C +ATOM 1669 CG LEU A 179 -7.585 -43.848 26.811 1.00 32.25 C +ATOM 1670 CD1 LEU A 179 -8.390 -42.638 26.377 1.00 17.94 C +ATOM 1671 CD2 LEU A 179 -6.792 -44.409 25.633 1.00 28.26 C +ATOM 1672 H LEU A 179 -5.257 -43.173 30.119 1.00 15.00 H +ATOM 1673 N THR A 180 -3.723 -44.708 26.705 1.00 30.39 N +ATOM 1674 CA THR A 180 -2.527 -44.365 25.943 1.00 38.93 C +ATOM 1675 C THR A 180 -2.706 -44.386 24.406 1.00 35.89 C +ATOM 1676 O THR A 180 -2.850 -45.439 23.783 1.00 34.52 O +ATOM 1677 CB THR A 180 -1.334 -45.255 26.389 1.00 48.09 C +ATOM 1678 OG1 THR A 180 -0.218 -45.068 25.505 1.00 55.00 O +ATOM 1679 CG2 THR A 180 -1.741 -46.739 26.448 1.00 51.60 C +ATOM 1680 H THR A 180 -4.143 -45.578 26.539 1.00 15.00 H +ATOM 1681 HG1 THR A 180 0.157 -44.196 25.676 1.00 15.00 H +ATOM 1682 N LEU A 181 -2.665 -43.201 23.807 1.00 36.99 N +ATOM 1683 CA LEU A 181 -2.828 -43.013 22.370 1.00 31.78 C +ATOM 1684 C LEU A 181 -1.538 -42.590 21.699 1.00 37.71 C +ATOM 1685 O LEU A 181 -0.466 -42.552 22.315 1.00 30.32 O +ATOM 1686 CB LEU A 181 -3.829 -41.894 22.130 1.00 22.02 C +ATOM 1687 CG LEU A 181 -5.132 -42.032 22.904 1.00 20.94 C +ATOM 1688 CD1 LEU A 181 -5.650 -40.676 23.362 1.00 32.83 C +ATOM 1689 CD2 LEU A 181 -6.130 -42.742 22.015 1.00 33.86 C +ATOM 1690 H LEU A 181 -2.535 -42.419 24.358 1.00 15.00 H +ATOM 1691 N THR A 182 -1.675 -42.245 20.422 1.00 43.14 N +ATOM 1692 CA THR A 182 -0.576 -41.760 19.607 1.00 35.12 C +ATOM 1693 C THR A 182 -0.897 -40.283 19.517 1.00 34.74 C +ATOM 1694 O THR A 182 -2.076 -39.913 19.594 1.00 33.71 O +ATOM 1695 CB THR A 182 -0.614 -42.390 18.215 1.00 32.88 C +ATOM 1696 OG1 THR A 182 -1.882 -42.133 17.604 1.00 28.36 O +ATOM 1697 CG2 THR A 182 -0.457 -43.875 18.332 1.00 34.89 C +ATOM 1698 H THR A 182 -2.546 -42.281 19.979 1.00 15.00 H +ATOM 1699 HG1 THR A 182 -1.961 -42.681 16.810 1.00 15.00 H +ATOM 1700 N LYS A 183 0.134 -39.442 19.412 1.00 35.32 N +ATOM 1701 CA LYS A 183 -0.048 -37.980 19.331 1.00 32.65 C +ATOM 1702 C LYS A 183 -1.184 -37.642 18.387 1.00 26.97 C +ATOM 1703 O LYS A 183 -2.230 -37.137 18.804 1.00 22.89 O +ATOM 1704 CB LYS A 183 1.236 -37.296 18.843 1.00 26.47 C +ATOM 1705 CG LYS A 183 1.083 -35.814 18.491 1.00 23.64 C +ATOM 1706 CD LYS A 183 2.440 -35.170 18.141 1.00 28.31 C +ATOM 1707 CE LYS A 183 2.280 -33.848 17.397 1.00 31.11 C +ATOM 1708 NZ LYS A 183 1.644 -34.044 16.045 1.00 45.44 N +ATOM 1709 H LYS A 183 1.043 -39.812 19.403 1.00 15.00 H +ATOM 1710 HZ1 LYS A 183 0.718 -34.503 16.173 1.00 15.00 H +ATOM 1711 HZ2 LYS A 183 1.507 -33.122 15.583 1.00 15.00 H +ATOM 1712 HZ3 LYS A 183 2.248 -34.647 15.449 1.00 15.00 H +ATOM 1713 N ASP A 184 -0.964 -38.004 17.128 1.00 22.20 N +ATOM 1714 CA ASP A 184 -1.904 -37.806 16.049 1.00 13.18 C +ATOM 1715 C ASP A 184 -3.294 -38.221 16.506 1.00 16.53 C +ATOM 1716 O ASP A 184 -4.157 -37.359 16.679 1.00 27.16 O +ATOM 1717 CB ASP A 184 -1.439 -38.623 14.849 1.00 21.76 C +ATOM 1718 CG ASP A 184 0.023 -38.331 14.469 1.00 29.64 C +ATOM 1719 OD1 ASP A 184 0.481 -37.159 14.550 1.00 25.77 O +ATOM 1720 OD2 ASP A 184 0.717 -39.286 14.082 1.00 28.40 O +ATOM 1721 H ASP A 184 -0.113 -38.435 16.928 1.00 15.00 H +ATOM 1722 N GLU A 185 -3.483 -39.505 16.811 1.00 11.79 N +ATOM 1723 CA GLU A 185 -4.785 -40.002 17.273 1.00 9.85 C +ATOM 1724 C GLU A 185 -5.352 -39.201 18.454 1.00 13.98 C +ATOM 1725 O GLU A 185 -6.574 -39.066 18.613 1.00 7.65 O +ATOM 1726 CB GLU A 185 -4.688 -41.468 17.659 1.00 21.49 C +ATOM 1727 CG GLU A 185 -5.795 -42.348 17.067 1.00 42.88 C +ATOM 1728 CD GLU A 185 -7.030 -42.475 17.959 1.00 47.33 C +ATOM 1729 OE1 GLU A 185 -7.783 -41.483 18.090 1.00 49.76 O +ATOM 1730 OE2 GLU A 185 -7.258 -43.581 18.511 1.00 54.12 O +ATOM 1731 H GLU A 185 -2.741 -40.134 16.752 1.00 15.00 H +ATOM 1732 N TYR A 186 -4.473 -38.680 19.295 1.00 18.45 N +ATOM 1733 CA TYR A 186 -4.929 -37.895 20.421 1.00 19.64 C +ATOM 1734 C TYR A 186 -5.432 -36.576 19.860 1.00 28.70 C +ATOM 1735 O TYR A 186 -6.462 -36.050 20.302 1.00 25.08 O +ATOM 1736 CB TYR A 186 -3.778 -37.655 21.397 1.00 15.42 C +ATOM 1737 CG TYR A 186 -4.034 -36.555 22.410 1.00 18.03 C +ATOM 1738 CD1 TYR A 186 -5.204 -36.530 23.182 1.00 21.65 C +ATOM 1739 CD2 TYR A 186 -3.121 -35.511 22.572 1.00 7.81 C +ATOM 1740 CE1 TYR A 186 -5.460 -35.474 24.099 1.00 10.87 C +ATOM 1741 CE2 TYR A 186 -3.363 -34.457 23.478 1.00 14.68 C +ATOM 1742 CZ TYR A 186 -4.531 -34.442 24.235 1.00 8.55 C +ATOM 1743 OH TYR A 186 -4.765 -33.401 25.115 1.00 5.86 O +ATOM 1744 H TYR A 186 -3.515 -38.799 19.156 1.00 15.00 H +ATOM 1745 HH TYR A 186 -4.142 -32.657 25.038 1.00 15.00 H +ATOM 1746 N GLU A 187 -4.733 -36.088 18.836 1.00 37.05 N +ATOM 1747 CA GLU A 187 -5.049 -34.813 18.189 1.00 44.72 C +ATOM 1748 C GLU A 187 -6.322 -34.771 17.341 1.00 47.57 C +ATOM 1749 O GLU A 187 -6.886 -33.698 17.116 1.00 46.78 O +ATOM 1750 CB GLU A 187 -3.853 -34.332 17.366 1.00 36.20 C +ATOM 1751 CG GLU A 187 -2.631 -33.989 18.212 1.00 49.30 C +ATOM 1752 CD GLU A 187 -1.484 -33.399 17.401 1.00 55.15 C +ATOM 1753 OE1 GLU A 187 -1.323 -33.791 16.222 1.00 62.39 O +ATOM 1754 OE2 GLU A 187 -0.738 -32.547 17.947 1.00 50.09 O +ATOM 1755 H GLU A 187 -3.993 -36.615 18.489 1.00 15.00 H +ATOM 1756 N ARG A 188 -6.785 -35.929 16.883 1.00 42.12 N +ATOM 1757 CA ARG A 188 -7.994 -35.977 16.065 1.00 38.62 C +ATOM 1758 C ARG A 188 -9.273 -35.662 16.839 1.00 36.55 C +ATOM 1759 O ARG A 188 -10.323 -35.425 16.232 1.00 42.60 O +ATOM 1760 CB ARG A 188 -8.156 -37.348 15.403 1.00 28.36 C +ATOM 1761 CG ARG A 188 -6.884 -37.936 14.847 1.00 24.43 C +ATOM 1762 CD ARG A 188 -7.132 -38.812 13.637 1.00 22.16 C +ATOM 1763 NE ARG A 188 -7.837 -40.065 13.905 1.00 32.72 N +ATOM 1764 CZ ARG A 188 -9.154 -40.181 14.078 1.00 39.36 C +ATOM 1765 NH1 ARG A 188 -9.942 -39.108 14.037 1.00 42.95 N +ATOM 1766 NH2 ARG A 188 -9.702 -41.389 14.191 1.00 36.87 N +ATOM 1767 H ARG A 188 -6.280 -36.738 17.106 1.00 15.00 H +ATOM 1768 HE ARG A 188 -7.301 -40.885 13.952 1.00 15.00 H +ATOM 1769 HH11 ARG A 188 -9.566 -38.203 13.855 1.00 15.00 H +ATOM 1770 HH12 ARG A 188 -10.928 -39.214 14.174 1.00 15.00 H +ATOM 1771 HH21 ARG A 188 -9.125 -42.204 14.143 1.00 15.00 H +ATOM 1772 HH22 ARG A 188 -10.690 -41.481 14.319 1.00 15.00 H +ATOM 1773 N HIS A 189 -9.210 -35.693 18.168 1.00 23.00 N +ATOM 1774 CA HIS A 189 -10.402 -35.433 18.959 1.00 18.94 C +ATOM 1775 C HIS A 189 -10.279 -34.224 19.863 1.00 25.38 C +ATOM 1776 O HIS A 189 -9.199 -33.657 20.021 1.00 30.18 O +ATOM 1777 CB HIS A 189 -10.778 -36.648 19.790 1.00 16.59 C +ATOM 1778 CG HIS A 189 -10.779 -37.935 19.025 1.00 27.78 C +ATOM 1779 ND1 HIS A 189 -11.893 -38.414 18.369 1.00 28.22 N +ATOM 1780 CD2 HIS A 189 -9.816 -38.877 18.869 1.00 27.19 C +ATOM 1781 CE1 HIS A 189 -11.620 -39.599 17.850 1.00 33.46 C +ATOM 1782 NE2 HIS A 189 -10.366 -39.902 18.139 1.00 29.47 N +ATOM 1783 H HIS A 189 -8.353 -35.824 18.632 1.00 15.00 H +ATOM 1784 HD1 HIS A 189 -12.747 -37.960 18.223 1.00 15.00 H +ATOM 1785 HE2 HIS A 189 -9.886 -40.717 17.880 1.00 15.00 H +ATOM 1786 N ASN A 190 -11.400 -33.847 20.466 1.00 27.39 N +ATOM 1787 CA ASN A 190 -11.439 -32.696 21.339 1.00 31.88 C +ATOM 1788 C ASN A 190 -11.705 -32.987 22.811 1.00 36.23 C +ATOM 1789 O ASN A 190 -10.950 -32.525 23.656 1.00 46.49 O +ATOM 1790 CB ASN A 190 -12.450 -31.685 20.816 1.00 49.22 C +ATOM 1791 CG ASN A 190 -12.357 -30.353 21.526 1.00 66.30 C +ATOM 1792 OD1 ASN A 190 -12.654 -30.245 22.715 1.00 72.90 O +ATOM 1793 ND2 ASN A 190 -11.930 -29.328 20.801 1.00 82.30 N +ATOM 1794 H ASN A 190 -12.209 -34.325 20.267 1.00 15.00 H +ATOM 1795 HD21 ASN A 190 -11.888 -28.454 21.230 1.00 15.00 H +ATOM 1796 HD22 ASN A 190 -11.688 -29.491 19.866 1.00 15.00 H +ATOM 1797 N SER A 191 -12.749 -33.744 23.141 1.00 32.26 N +ATOM 1798 CA SER A 191 -13.040 -34.014 24.551 1.00 39.70 C +ATOM 1799 C SER A 191 -12.607 -35.390 25.055 1.00 41.61 C +ATOM 1800 O SER A 191 -12.566 -36.351 24.289 1.00 43.85 O +ATOM 1801 CB SER A 191 -14.522 -33.794 24.845 1.00 37.20 C +ATOM 1802 OG SER A 191 -14.748 -33.686 26.241 1.00 43.88 O +ATOM 1803 H SER A 191 -13.335 -34.129 22.473 1.00 15.00 H +ATOM 1804 HG SER A 191 -14.647 -34.556 26.646 1.00 15.00 H +ATOM 1805 N TYR A 192 -12.230 -35.453 26.333 1.00 42.23 N +ATOM 1806 CA TYR A 192 -11.812 -36.694 26.992 1.00 30.28 C +ATOM 1807 C TYR A 192 -12.470 -36.751 28.355 1.00 27.54 C +ATOM 1808 O TYR A 192 -12.451 -35.771 29.115 1.00 22.82 O +ATOM 1809 CB TYR A 192 -10.301 -36.763 27.137 1.00 17.21 C +ATOM 1810 CG TYR A 192 -9.602 -36.910 25.819 1.00 18.05 C +ATOM 1811 CD1 TYR A 192 -9.412 -38.167 25.248 1.00 18.14 C +ATOM 1812 CD2 TYR A 192 -9.165 -35.797 25.120 1.00 14.80 C +ATOM 1813 CE1 TYR A 192 -8.802 -38.310 24.001 1.00 16.11 C +ATOM 1814 CE2 TYR A 192 -8.555 -35.930 23.872 1.00 21.81 C +ATOM 1815 CZ TYR A 192 -8.378 -37.188 23.317 1.00 17.48 C +ATOM 1816 OH TYR A 192 -7.781 -37.319 22.082 1.00 8.34 O +ATOM 1817 H TYR A 192 -12.220 -34.632 26.877 1.00 15.00 H +ATOM 1818 HH TYR A 192 -7.533 -36.440 21.764 1.00 15.00 H +ATOM 1819 N THR A 193 -13.088 -37.891 28.636 1.00 34.86 N +ATOM 1820 CA THR A 193 -13.803 -38.098 29.884 1.00 42.52 C +ATOM 1821 C THR A 193 -13.510 -39.418 30.580 1.00 36.35 C +ATOM 1822 O THR A 193 -13.498 -40.496 29.981 1.00 22.77 O +ATOM 1823 CB THR A 193 -15.327 -37.947 29.682 1.00 52.25 C +ATOM 1824 OG1 THR A 193 -15.642 -36.566 29.438 1.00 58.45 O +ATOM 1825 CG2 THR A 193 -16.096 -38.454 30.909 1.00 42.27 C +ATOM 1826 H THR A 193 -13.079 -38.611 27.978 1.00 15.00 H +ATOM 1827 HG1 THR A 193 -16.558 -36.509 29.143 1.00 15.00 H +ATOM 1828 N CYS A 194 -13.318 -39.291 31.879 1.00 34.39 N +ATOM 1829 CA CYS A 194 -13.023 -40.391 32.761 1.00 32.32 C +ATOM 1830 C CYS A 194 -14.307 -40.541 33.576 1.00 30.50 C +ATOM 1831 O CYS A 194 -14.653 -39.654 34.360 1.00 29.38 O +ATOM 1832 CB CYS A 194 -11.843 -39.952 33.616 1.00 33.56 C +ATOM 1833 SG CYS A 194 -11.369 -41.043 34.965 1.00 42.44 S +ATOM 1834 H CYS A 194 -13.383 -38.399 32.289 1.00 15.00 H +ATOM 1835 N GLU A 195 -15.042 -41.625 33.343 1.00 26.13 N +ATOM 1836 CA GLU A 195 -16.314 -41.838 34.025 1.00 39.12 C +ATOM 1837 C GLU A 195 -16.249 -42.949 35.052 1.00 38.84 C +ATOM 1838 O GLU A 195 -15.979 -44.103 34.714 1.00 39.54 O +ATOM 1839 CB GLU A 195 -17.404 -42.132 32.991 1.00 58.14 C +ATOM 1840 CG GLU A 195 -18.828 -42.044 33.524 1.00 79.14 C +ATOM 1841 CD GLU A 195 -19.868 -42.047 32.413 1.00 87.99 C +ATOM 1842 OE1 GLU A 195 -20.046 -40.993 31.763 1.00 94.04 O +ATOM 1843 OE2 GLU A 195 -20.507 -43.100 32.192 1.00 93.73 O +ATOM 1844 H GLU A 195 -14.735 -42.307 32.709 1.00 15.00 H +ATOM 1845 N ALA A 196 -16.589 -42.618 36.292 1.00 35.26 N +ATOM 1846 CA ALA A 196 -16.522 -43.582 37.373 1.00 30.96 C +ATOM 1847 C ALA A 196 -17.858 -43.926 37.991 1.00 34.11 C +ATOM 1848 O ALA A 196 -18.617 -43.041 38.378 1.00 28.31 O +ATOM 1849 CB ALA A 196 -15.596 -43.066 38.435 1.00 31.79 C +ATOM 1850 H ALA A 196 -16.907 -41.718 36.479 1.00 15.00 H +ATOM 1851 N THR A 197 -18.100 -45.221 38.150 1.00 39.71 N +ATOM 1852 CA THR A 197 -19.332 -45.733 38.744 1.00 53.41 C +ATOM 1853 C THR A 197 -18.973 -46.344 40.097 1.00 55.30 C +ATOM 1854 O THR A 197 -18.017 -47.122 40.179 1.00 59.95 O +ATOM 1855 CB THR A 197 -19.934 -46.825 37.847 1.00 60.13 C +ATOM 1856 OG1 THR A 197 -18.909 -47.763 37.474 1.00 64.05 O +ATOM 1857 CG2 THR A 197 -20.525 -46.205 36.594 1.00 67.26 C +ATOM 1858 H THR A 197 -17.419 -45.873 37.888 1.00 15.00 H +ATOM 1859 HG1 THR A 197 -18.241 -47.313 36.940 1.00 15.00 H +ATOM 1860 N HIS A 198 -19.730 -46.028 41.148 1.00 49.94 N +ATOM 1861 CA HIS A 198 -19.400 -46.567 42.460 1.00 49.05 C +ATOM 1862 C HIS A 198 -20.497 -46.410 43.495 1.00 52.05 C +ATOM 1863 O HIS A 198 -21.017 -45.322 43.687 1.00 54.29 O +ATOM 1864 CB HIS A 198 -18.135 -45.891 42.972 1.00 51.95 C +ATOM 1865 CG HIS A 198 -17.623 -46.459 44.253 1.00 52.14 C +ATOM 1866 ND1 HIS A 198 -17.987 -45.965 45.486 1.00 48.50 N +ATOM 1867 CD2 HIS A 198 -16.755 -47.469 44.494 1.00 54.10 C +ATOM 1868 CE1 HIS A 198 -17.365 -46.645 46.432 1.00 53.27 C +ATOM 1869 NE2 HIS A 198 -16.611 -47.564 45.855 1.00 56.27 N +ATOM 1870 H HIS A 198 -20.510 -45.433 41.060 1.00 15.00 H +ATOM 1871 HD1 HIS A 198 -18.520 -45.177 45.658 1.00 15.00 H +ATOM 1872 HE2 HIS A 198 -16.000 -48.209 46.288 1.00 15.00 H +ATOM 1873 N LYS A 199 -20.740 -47.491 44.229 1.00 56.24 N +ATOM 1874 CA LYS A 199 -21.749 -47.593 45.289 1.00 60.84 C +ATOM 1875 C LYS A 199 -22.130 -46.291 45.993 1.00 62.06 C +ATOM 1876 O LYS A 199 -23.304 -46.022 46.252 1.00 65.07 O +ATOM 1877 CB LYS A 199 -21.241 -48.600 46.325 1.00 72.10 C +ATOM 1878 CG LYS A 199 -22.222 -48.990 47.422 1.00 84.00 C +ATOM 1879 CD LYS A 199 -21.555 -49.930 48.431 1.00 89.60 C +ATOM 1880 CE LYS A 199 -22.560 -50.527 49.408 1.00 98.52 C +ATOM 1881 NZ LYS A 199 -23.305 -49.488 50.179 1.00106.04 N +ATOM 1882 H LYS A 199 -20.231 -48.302 44.023 1.00 15.00 H +ATOM 1883 HZ1 LYS A 199 -22.626 -48.892 50.696 1.00 15.00 H +ATOM 1884 HZ2 LYS A 199 -23.857 -48.896 49.526 1.00 15.00 H +ATOM 1885 HZ3 LYS A 199 -23.946 -49.954 50.851 1.00 15.00 H +ATOM 1886 N THR A 200 -21.120 -45.496 46.307 1.00 63.20 N +ATOM 1887 CA THR A 200 -21.302 -44.232 46.998 1.00 73.47 C +ATOM 1888 C THR A 200 -22.294 -43.271 46.349 1.00 79.64 C +ATOM 1889 O THR A 200 -23.024 -42.561 47.045 1.00 84.70 O +ATOM 1890 CB THR A 200 -19.949 -43.533 47.161 1.00 73.53 C +ATOM 1891 OG1 THR A 200 -19.219 -43.603 45.925 1.00 76.34 O +ATOM 1892 CG2 THR A 200 -19.146 -44.208 48.248 1.00 78.99 C +ATOM 1893 H THR A 200 -20.227 -45.756 46.049 1.00 15.00 H +ATOM 1894 HG1 THR A 200 -19.639 -42.971 45.321 1.00 15.00 H +ATOM 1895 N SER A 201 -22.299 -43.227 45.020 1.00 84.03 N +ATOM 1896 CA SER A 201 -23.199 -42.337 44.297 1.00 86.18 C +ATOM 1897 C SER A 201 -23.996 -43.074 43.235 1.00 83.67 C +ATOM 1898 O SER A 201 -23.541 -44.066 42.652 1.00 76.89 O +ATOM 1899 CB SER A 201 -22.437 -41.167 43.652 1.00 93.19 C +ATOM 1900 OG SER A 201 -23.327 -40.219 43.067 1.00 95.36 O +ATOM 1901 H SER A 201 -21.762 -43.828 44.476 1.00 15.00 H +ATOM 1902 HG SER A 201 -22.838 -39.694 42.418 1.00 15.00 H +ATOM 1903 N THR A 202 -25.202 -42.569 43.010 1.00 82.21 N +ATOM 1904 CA THR A 202 -26.122 -43.111 42.028 1.00 81.34 C +ATOM 1905 C THR A 202 -25.669 -42.644 40.655 1.00 80.82 C +ATOM 1906 O THR A 202 -25.551 -43.436 39.715 1.00 80.65 O +ATOM 1907 CB THR A 202 -27.537 -42.568 42.280 1.00 81.47 C +ATOM 1908 OG1 THR A 202 -27.450 -41.211 42.745 1.00 85.75 O +ATOM 1909 CG2 THR A 202 -28.252 -43.403 43.319 1.00 82.72 C +ATOM 1910 H THR A 202 -25.488 -41.770 43.500 1.00 15.00 H +ATOM 1911 HG1 THR A 202 -28.337 -40.843 42.833 1.00 15.00 H +ATOM 1912 N SER A 203 -25.427 -41.340 40.565 1.00 76.87 N +ATOM 1913 CA SER A 203 -24.987 -40.692 39.339 1.00 70.13 C +ATOM 1914 C SER A 203 -23.471 -40.827 39.226 1.00 62.08 C +ATOM 1915 O SER A 203 -22.744 -40.437 40.137 1.00 60.01 O +ATOM 1916 CB SER A 203 -25.367 -39.209 39.385 1.00 71.04 C +ATOM 1917 OG SER A 203 -26.662 -39.030 39.941 1.00 72.80 O +ATOM 1918 H SER A 203 -25.556 -40.778 41.359 1.00 15.00 H +ATOM 1919 HG SER A 203 -26.880 -38.096 39.932 1.00 15.00 H +ATOM 1920 N PRO A 204 -22.981 -41.394 38.113 1.00 56.16 N +ATOM 1921 CA PRO A 204 -21.559 -41.602 37.832 1.00 56.72 C +ATOM 1922 C PRO A 204 -20.721 -40.348 38.019 1.00 59.03 C +ATOM 1923 O PRO A 204 -21.062 -39.283 37.500 1.00 63.89 O +ATOM 1924 CB PRO A 204 -21.564 -42.015 36.364 1.00 53.10 C +ATOM 1925 CG PRO A 204 -22.809 -42.789 36.262 1.00 63.89 C +ATOM 1926 CD PRO A 204 -23.801 -41.926 37.014 1.00 62.42 C +ATOM 1927 N ILE A 205 -19.631 -40.478 38.770 1.00 58.02 N +ATOM 1928 CA ILE A 205 -18.729 -39.360 39.003 1.00 49.15 C +ATOM 1929 C ILE A 205 -17.941 -39.178 37.720 1.00 46.00 C +ATOM 1930 O ILE A 205 -17.294 -40.119 37.246 1.00 41.60 O +ATOM 1931 CB ILE A 205 -17.762 -39.634 40.172 1.00 52.17 C +ATOM 1932 CG1 ILE A 205 -18.512 -39.505 41.500 1.00 60.08 C +ATOM 1933 CG2 ILE A 205 -16.588 -38.673 40.125 1.00 56.44 C +ATOM 1934 CD1 ILE A 205 -17.633 -39.515 42.736 1.00 63.74 C +ATOM 1935 H ILE A 205 -19.411 -41.356 39.141 1.00 15.00 H +ATOM 1936 N VAL A 206 -18.023 -37.978 37.149 1.00 41.95 N +ATOM 1937 CA VAL A 206 -17.333 -37.673 35.899 1.00 37.29 C +ATOM 1938 C VAL A 206 -16.467 -36.421 35.920 1.00 34.27 C +ATOM 1939 O VAL A 206 -16.859 -35.382 36.450 1.00 42.22 O +ATOM 1940 CB VAL A 206 -18.328 -37.549 34.714 1.00 38.90 C +ATOM 1941 CG1 VAL A 206 -19.448 -36.552 35.044 1.00 33.55 C +ATOM 1942 CG2 VAL A 206 -17.590 -37.132 33.455 1.00 26.64 C +ATOM 1943 H VAL A 206 -18.560 -37.276 37.567 1.00 15.00 H +ATOM 1944 N LYS A 207 -15.280 -36.537 35.338 1.00 27.14 N +ATOM 1945 CA LYS A 207 -14.347 -35.424 35.236 1.00 33.84 C +ATOM 1946 C LYS A 207 -13.930 -35.453 33.781 1.00 43.15 C +ATOM 1947 O LYS A 207 -13.545 -36.506 33.255 1.00 41.19 O +ATOM 1948 CB LYS A 207 -13.136 -35.611 36.151 1.00 37.17 C +ATOM 1949 CG LYS A 207 -13.264 -34.947 37.524 1.00 33.70 C +ATOM 1950 CD LYS A 207 -12.550 -33.617 37.572 1.00 35.70 C +ATOM 1951 CE LYS A 207 -12.521 -33.062 38.986 1.00 44.64 C +ATOM 1952 NZ LYS A 207 -11.721 -31.800 39.048 1.00 53.76 N +ATOM 1953 H LYS A 207 -15.011 -37.405 34.955 1.00 15.00 H +ATOM 1954 HZ1 LYS A 207 -12.141 -31.099 38.405 1.00 15.00 H +ATOM 1955 HZ2 LYS A 207 -11.742 -31.426 40.018 1.00 15.00 H +ATOM 1956 HZ3 LYS A 207 -10.740 -31.988 38.762 1.00 15.00 H +ATOM 1957 N SER A 208 -14.035 -34.302 33.127 1.00 46.90 N +ATOM 1958 CA SER A 208 -13.732 -34.186 31.707 1.00 45.02 C +ATOM 1959 C SER A 208 -12.841 -32.993 31.430 1.00 45.05 C +ATOM 1960 O SER A 208 -12.759 -32.063 32.238 1.00 45.37 O +ATOM 1961 CB SER A 208 -15.057 -34.013 30.943 1.00 41.59 C +ATOM 1962 OG SER A 208 -14.871 -33.556 29.616 1.00 56.19 O +ATOM 1963 H SER A 208 -14.280 -33.473 33.587 1.00 15.00 H +ATOM 1964 HG SER A 208 -14.444 -34.287 29.149 1.00 15.00 H +ATOM 1965 N PHE A 209 -12.145 -33.038 30.302 1.00 42.78 N +ATOM 1966 CA PHE A 209 -11.306 -31.923 29.896 1.00 40.85 C +ATOM 1967 C PHE A 209 -11.305 -31.828 28.363 1.00 39.20 C +ATOM 1968 O PHE A 209 -11.450 -32.843 27.673 1.00 42.14 O +ATOM 1969 CB PHE A 209 -9.895 -32.025 30.502 1.00 28.54 C +ATOM 1970 CG PHE A 209 -8.968 -32.922 29.758 1.00 22.54 C +ATOM 1971 CD1 PHE A 209 -8.240 -32.443 28.670 1.00 19.06 C +ATOM 1972 CD2 PHE A 209 -8.813 -34.241 30.139 1.00 21.49 C +ATOM 1973 CE1 PHE A 209 -7.364 -33.274 27.963 1.00 24.56 C +ATOM 1974 CE2 PHE A 209 -7.948 -35.080 29.449 1.00 24.45 C +ATOM 1975 CZ PHE A 209 -7.219 -34.594 28.354 1.00 27.92 C +ATOM 1976 H PHE A 209 -12.190 -33.833 29.728 1.00 15.00 H +ATOM 1977 N ASN A 210 -11.277 -30.601 27.848 1.00 35.63 N +ATOM 1978 CA ASN A 210 -11.272 -30.358 26.402 1.00 43.30 C +ATOM 1979 C ASN A 210 -9.886 -29.886 25.952 1.00 42.82 C +ATOM 1980 O ASN A 210 -9.378 -28.887 26.458 1.00 51.09 O +ATOM 1981 CB ASN A 210 -12.293 -29.273 26.036 1.00 47.68 C +ATOM 1982 CG ASN A 210 -13.738 -29.689 26.286 1.00 55.92 C +ATOM 1983 OD1 ASN A 210 -14.663 -28.959 25.923 1.00 61.28 O +ATOM 1984 ND2 ASN A 210 -13.944 -30.847 26.905 1.00 65.11 N +ATOM 1985 H ASN A 210 -11.235 -29.823 28.439 1.00 15.00 H +ATOM 1986 HD21 ASN A 210 -14.891 -31.063 27.042 1.00 15.00 H +ATOM 1987 HD22 ASN A 210 -13.250 -31.463 27.193 1.00 15.00 H +ATOM 1988 N ARG A 211 -9.314 -30.574 24.969 1.00 36.82 N +ATOM 1989 CA ARG A 211 -7.992 -30.284 24.407 1.00 41.63 C +ATOM 1990 C ARG A 211 -7.896 -28.900 23.769 1.00 56.44 C +ATOM 1991 O ARG A 211 -6.814 -28.451 23.399 1.00 59.86 O +ATOM 1992 CB ARG A 211 -7.694 -31.349 23.345 1.00 33.41 C +ATOM 1993 CG ARG A 211 -6.364 -31.252 22.637 1.00 21.49 C +ATOM 1994 CD ARG A 211 -6.388 -32.125 21.392 1.00 39.18 C +ATOM 1995 NE ARG A 211 -7.312 -31.600 20.388 1.00 47.22 N +ATOM 1996 CZ ARG A 211 -7.012 -31.454 19.103 1.00 47.67 C +ATOM 1997 NH1 ARG A 211 -5.816 -31.803 18.650 1.00 43.15 N +ATOM 1998 NH2 ARG A 211 -7.892 -30.902 18.280 1.00 61.51 N +ATOM 1999 H ARG A 211 -9.807 -31.335 24.594 1.00 15.00 H +ATOM 2000 HE ARG A 211 -8.211 -31.340 20.675 1.00 15.00 H +ATOM 2001 HH11 ARG A 211 -5.130 -32.184 19.269 1.00 15.00 H +ATOM 2002 HH12 ARG A 211 -5.601 -31.690 17.679 1.00 15.00 H +ATOM 2003 HH21 ARG A 211 -8.779 -30.591 18.621 1.00 15.00 H +ATOM 2004 HH22 ARG A 211 -7.662 -30.789 17.314 1.00 15.00 H +ATOM 2005 N ASN A 212 -9.044 -28.243 23.623 1.00 80.42 N +ATOM 2006 CA ASN A 212 -9.152 -26.915 23.014 1.00 95.91 C +ATOM 2007 C ASN A 212 -8.245 -25.820 23.583 1.00106.98 C +ATOM 2008 O ASN A 212 -8.081 -24.774 22.954 1.00111.02 O +ATOM 2009 CB ASN A 212 -10.617 -26.433 23.060 1.00 96.89 C +ATOM 2010 CG ASN A 212 -11.145 -26.238 24.493 1.00 99.02 C +ATOM 2011 OD1 ASN A 212 -10.388 -25.952 25.425 1.00 92.97 O +ATOM 2012 ND2 ASN A 212 -12.455 -26.394 24.663 1.00 95.25 N +ATOM 2013 H ASN A 212 -9.858 -28.671 23.942 1.00 15.00 H +ATOM 2014 HD21 ASN A 212 -12.798 -26.265 25.572 1.00 15.00 H +ATOM 2015 HD22 ASN A 212 -13.028 -26.629 23.907 1.00 15.00 H +ATOM 2016 N GLU A 213 -7.701 -26.027 24.780 1.00117.88 N +ATOM 2017 CA GLU A 213 -6.822 -25.030 25.385 1.00127.80 C +ATOM 2018 C GLU A 213 -5.414 -25.558 25.669 1.00132.93 C +ATOM 2019 O GLU A 213 -4.424 -24.920 25.293 1.00133.26 O +ATOM 2020 CB GLU A 213 -7.446 -24.441 26.658 1.00130.26 C +ATOM 2021 CG GLU A 213 -6.601 -23.347 27.342 1.00136.68 C +ATOM 2022 CD GLU A 213 -6.364 -22.104 26.475 1.00138.98 C +ATOM 2023 OE1 GLU A 213 -5.474 -22.138 25.593 1.00136.57 O +ATOM 2024 OE2 GLU A 213 -7.049 -21.080 26.697 1.00141.02 O +ATOM 2025 H GLU A 213 -7.894 -26.854 25.264 1.00 15.00 H +ATOM 2026 N CYS A 214 -5.330 -26.713 26.325 1.00136.23 N +ATOM 2027 CA CYS A 214 -4.047 -27.327 26.666 1.00138.41 C +ATOM 2028 C CYS A 214 -3.989 -28.769 26.131 1.00142.06 C +ATOM 2029 O CYS A 214 -3.396 -28.979 25.046 1.00145.73 O +ATOM 2030 CB CYS A 214 -3.829 -27.305 28.199 1.00132.97 C +ATOM 2031 SG CYS A 214 -2.887 -25.901 28.930 1.00124.08 S +ATOM 2032 OXT CYS A 214 -4.546 -29.673 26.796 1.00143.51 O +ATOM 2033 H CYS A 214 -6.124 -27.225 26.558 1.00 15.00 H +TER 2034 CYS A 214 +ATOM 2035 N GLU B 1 18.637 -61.583 66.852 1.00118.48 N +ATOM 2036 CA GLU B 1 19.722 -62.606 66.868 1.00119.77 C +ATOM 2037 C GLU B 1 19.628 -63.429 65.597 1.00110.34 C +ATOM 2038 O GLU B 1 20.249 -63.089 64.592 1.00111.78 O +ATOM 2039 CB GLU B 1 19.603 -63.514 68.098 1.00132.86 C +ATOM 2040 CG GLU B 1 19.918 -62.830 69.427 1.00149.98 C +ATOM 2041 CD GLU B 1 19.903 -63.788 70.617 1.00158.82 C +ATOM 2042 OE1 GLU B 1 20.058 -65.014 70.417 1.00163.74 O +ATOM 2043 OE2 GLU B 1 19.743 -63.307 71.761 1.00162.47 O +ATOM 2044 H1 GLU B 1 17.722 -62.061 66.730 1.00 15.00 H +ATOM 2045 H2 GLU B 1 18.651 -60.992 67.702 1.00 15.00 H +ATOM 2046 H3 GLU B 1 18.813 -61.015 65.995 1.00 15.00 H +ATOM 2047 N VAL B 2 18.842 -64.501 65.646 1.00 99.19 N +ATOM 2048 CA VAL B 2 18.642 -65.363 64.490 1.00 88.75 C +ATOM 2049 C VAL B 2 18.149 -64.505 63.330 1.00 83.22 C +ATOM 2050 O VAL B 2 17.129 -63.818 63.435 1.00 83.30 O +ATOM 2051 CB VAL B 2 17.628 -66.501 64.803 1.00 88.57 C +ATOM 2052 CG1 VAL B 2 16.386 -65.943 65.493 1.00 89.60 C +ATOM 2053 CG2 VAL B 2 17.245 -67.239 63.531 1.00 81.63 C +ATOM 2054 H VAL B 2 18.379 -64.787 66.454 1.00 15.00 H +ATOM 2055 N LYS B 3 18.927 -64.474 62.261 1.00 75.94 N +ATOM 2056 CA LYS B 3 18.564 -63.689 61.104 1.00 74.09 C +ATOM 2057 C LYS B 3 19.160 -64.359 59.883 1.00 69.85 C +ATOM 2058 O LYS B 3 20.297 -64.839 59.916 1.00 62.23 O +ATOM 2059 CB LYS B 3 19.083 -62.259 61.256 1.00 79.97 C +ATOM 2060 CG LYS B 3 18.369 -61.238 60.377 1.00 95.52 C +ATOM 2061 CD LYS B 3 16.864 -61.184 60.661 1.00102.07 C +ATOM 2062 CE LYS B 3 16.173 -60.062 59.879 1.00106.19 C +ATOM 2063 NZ LYS B 3 16.580 -58.688 60.322 1.00107.33 N +ATOM 2064 H LYS B 3 19.769 -64.981 62.243 1.00 15.00 H +ATOM 2065 HZ1 LYS B 3 17.610 -58.578 60.220 1.00 15.00 H +ATOM 2066 HZ2 LYS B 3 16.101 -57.979 59.731 1.00 15.00 H +ATOM 2067 HZ3 LYS B 3 16.314 -58.543 61.316 1.00 15.00 H +ATOM 2068 N LEU B 4 18.361 -64.443 58.826 1.00 68.48 N +ATOM 2069 CA LEU B 4 18.790 -65.071 57.586 1.00 63.57 C +ATOM 2070 C LEU B 4 18.898 -64.006 56.510 1.00 60.73 C +ATOM 2071 O LEU B 4 17.932 -63.289 56.233 1.00 62.75 O +ATOM 2072 CB LEU B 4 17.779 -66.137 57.170 1.00 60.86 C +ATOM 2073 CG LEU B 4 17.353 -67.103 58.275 1.00 44.77 C +ATOM 2074 CD1 LEU B 4 16.386 -68.114 57.721 1.00 52.17 C +ATOM 2075 CD2 LEU B 4 18.568 -67.804 58.822 1.00 49.60 C +ATOM 2076 H LEU B 4 17.466 -64.046 58.854 1.00 15.00 H +ATOM 2077 N GLN B 5 20.071 -63.892 55.908 1.00 57.53 N +ATOM 2078 CA GLN B 5 20.278 -62.896 54.879 1.00 60.08 C +ATOM 2079 C GLN B 5 20.737 -63.474 53.561 1.00 57.87 C +ATOM 2080 O GLN B 5 21.932 -63.468 53.252 1.00 57.38 O +ATOM 2081 CB GLN B 5 21.267 -61.835 55.357 1.00 66.66 C +ATOM 2082 CG GLN B 5 20.789 -61.047 56.569 1.00 84.01 C +ATOM 2083 CD GLN B 5 19.418 -60.410 56.364 1.00 97.39 C +ATOM 2084 OE1 GLN B 5 18.613 -60.337 57.293 1.00 98.77 O +ATOM 2085 NE2 GLN B 5 19.150 -59.941 55.145 1.00102.40 N +ATOM 2086 H GLN B 5 20.801 -64.456 56.164 1.00 15.00 H +ATOM 2087 HE21 GLN B 5 18.271 -59.537 55.041 1.00 15.00 H +ATOM 2088 HE22 GLN B 5 19.816 -60.004 54.433 1.00 15.00 H +ATOM 2089 N GLU B 6 19.802 -64.063 52.823 1.00 54.06 N +ATOM 2090 CA GLU B 6 20.130 -64.599 51.511 1.00 46.09 C +ATOM 2091 C GLU B 6 20.308 -63.379 50.635 1.00 43.90 C +ATOM 2092 O GLU B 6 19.710 -62.331 50.899 1.00 38.91 O +ATOM 2093 CB GLU B 6 19.031 -65.518 50.955 1.00 38.03 C +ATOM 2094 CG GLU B 6 17.703 -64.863 50.645 1.00 28.26 C +ATOM 2095 CD GLU B 6 16.938 -64.464 51.885 1.00 27.50 C +ATOM 2096 OE1 GLU B 6 17.266 -63.406 52.463 1.00 22.39 O +ATOM 2097 OE2 GLU B 6 16.004 -65.200 52.273 1.00 18.38 O +ATOM 2098 H GLU B 6 18.922 -64.167 53.213 1.00 15.00 H +ATOM 2099 N SER B 7 21.208 -63.488 49.671 1.00 50.79 N +ATOM 2100 CA SER B 7 21.503 -62.401 48.752 1.00 59.28 C +ATOM 2101 C SER B 7 22.140 -62.944 47.478 1.00 60.88 C +ATOM 2102 O SER B 7 22.574 -64.102 47.421 1.00 55.57 O +ATOM 2103 CB SER B 7 22.404 -61.356 49.417 1.00 64.59 C +ATOM 2104 OG SER B 7 23.420 -61.970 50.197 1.00 83.34 O +ATOM 2105 H SER B 7 21.709 -64.319 49.536 1.00 15.00 H +ATOM 2106 HG SER B 7 23.008 -62.363 50.977 1.00 15.00 H +ATOM 2107 N GLY B 8 22.218 -62.088 46.468 1.00 64.71 N +ATOM 2108 CA GLY B 8 22.762 -62.492 45.187 1.00 62.65 C +ATOM 2109 C GLY B 8 21.569 -62.549 44.255 1.00 59.87 C +ATOM 2110 O GLY B 8 20.444 -62.272 44.682 1.00 63.33 O +ATOM 2111 H GLY B 8 21.838 -61.193 46.550 1.00 15.00 H +ATOM 2112 N GLY B 9 21.791 -62.909 42.999 1.00 51.24 N +ATOM 2113 CA GLY B 9 20.685 -62.963 42.067 1.00 46.96 C +ATOM 2114 C GLY B 9 20.099 -61.604 41.705 1.00 51.16 C +ATOM 2115 O GLY B 9 19.721 -60.800 42.561 1.00 41.82 O +ATOM 2116 H GLY B 9 22.696 -63.140 42.718 1.00 15.00 H +ATOM 2117 N GLY B 10 20.070 -61.336 40.410 1.00 54.27 N +ATOM 2118 CA GLY B 10 19.510 -60.095 39.915 1.00 63.89 C +ATOM 2119 C GLY B 10 18.614 -60.520 38.771 1.00 65.40 C +ATOM 2120 O GLY B 10 17.577 -61.150 38.994 1.00 67.81 O +ATOM 2121 H GLY B 10 20.384 -62.003 39.771 1.00 15.00 H +ATOM 2122 N LEU B 11 19.040 -60.228 37.545 1.00 60.23 N +ATOM 2123 CA LEU B 11 18.284 -60.611 36.358 1.00 51.37 C +ATOM 2124 C LEU B 11 19.164 -61.443 35.447 1.00 49.92 C +ATOM 2125 O LEU B 11 20.361 -61.178 35.313 1.00 53.09 O +ATOM 2126 CB LEU B 11 17.769 -59.390 35.590 1.00 47.67 C +ATOM 2127 CG LEU B 11 17.050 -59.708 34.266 1.00 43.23 C +ATOM 2128 CD1 LEU B 11 15.852 -58.801 34.087 1.00 42.27 C +ATOM 2129 CD2 LEU B 11 18.007 -59.589 33.079 1.00 48.36 C +ATOM 2130 H LEU B 11 19.895 -59.773 37.403 1.00 15.00 H +ATOM 2131 N VAL B 12 18.552 -62.431 34.807 1.00 41.09 N +ATOM 2132 CA VAL B 12 19.253 -63.306 33.899 1.00 40.29 C +ATOM 2133 C VAL B 12 18.245 -63.776 32.873 1.00 40.93 C +ATOM 2134 O VAL B 12 17.048 -63.846 33.153 1.00 42.59 O +ATOM 2135 CB VAL B 12 19.842 -64.507 34.639 1.00 46.62 C +ATOM 2136 CG1 VAL B 12 18.738 -65.390 35.183 1.00 47.98 C +ATOM 2137 CG2 VAL B 12 20.775 -65.283 33.726 1.00 58.29 C +ATOM 2138 H VAL B 12 17.585 -62.583 34.923 1.00 15.00 H +ATOM 2139 N GLN B 13 18.728 -64.039 31.669 1.00 42.61 N +ATOM 2140 CA GLN B 13 17.882 -64.483 30.575 1.00 45.51 C +ATOM 2141 C GLN B 13 17.671 -65.974 30.711 1.00 39.21 C +ATOM 2142 O GLN B 13 18.359 -66.624 31.491 1.00 43.27 O +ATOM 2143 CB GLN B 13 18.561 -64.163 29.234 1.00 59.23 C +ATOM 2144 CG GLN B 13 19.593 -65.189 28.750 1.00 73.97 C +ATOM 2145 CD GLN B 13 20.701 -65.480 29.760 1.00 82.22 C +ATOM 2146 OE1 GLN B 13 21.167 -64.589 30.480 1.00 86.91 O +ATOM 2147 NE2 GLN B 13 21.120 -66.738 29.822 1.00 79.63 N +ATOM 2148 H GLN B 13 19.690 -63.933 31.520 1.00 15.00 H +ATOM 2149 HE21 GLN B 13 21.844 -66.944 30.441 1.00 15.00 H +ATOM 2150 HE22 GLN B 13 20.677 -67.398 29.241 1.00 15.00 H +ATOM 2151 N PRO B 14 16.702 -66.536 29.974 1.00 35.30 N +ATOM 2152 CA PRO B 14 16.443 -67.976 30.044 1.00 27.80 C +ATOM 2153 C PRO B 14 17.704 -68.808 29.805 1.00 27.80 C +ATOM 2154 O PRO B 14 18.734 -68.276 29.394 1.00 28.86 O +ATOM 2155 CB PRO B 14 15.421 -68.172 28.934 1.00 25.32 C +ATOM 2156 CG PRO B 14 14.611 -66.929 29.035 1.00 19.34 C +ATOM 2157 CD PRO B 14 15.666 -65.860 29.171 1.00 24.72 C +ATOM 2158 N GLY B 15 17.636 -70.096 30.132 1.00 37.87 N +ATOM 2159 CA GLY B 15 18.761 -71.003 29.938 1.00 38.62 C +ATOM 2160 C GLY B 15 20.004 -70.688 30.750 1.00 41.11 C +ATOM 2161 O GLY B 15 20.931 -71.501 30.812 1.00 41.94 O +ATOM 2162 H GLY B 15 16.816 -70.460 30.530 1.00 15.00 H +ATOM 2163 N GLY B 16 20.025 -69.516 31.377 1.00 38.01 N +ATOM 2164 CA GLY B 16 21.168 -69.111 32.169 1.00 41.32 C +ATOM 2165 C GLY B 16 21.223 -69.771 33.527 1.00 46.56 C +ATOM 2166 O GLY B 16 20.363 -70.595 33.870 1.00 48.73 O +ATOM 2167 H GLY B 16 19.287 -68.882 31.350 1.00 15.00 H +ATOM 2168 N SER B 17 22.197 -69.344 34.324 1.00 47.96 N +ATOM 2169 CA SER B 17 22.421 -69.887 35.660 1.00 49.00 C +ATOM 2170 C SER B 17 22.641 -68.754 36.667 1.00 49.96 C +ATOM 2171 O SER B 17 22.957 -67.632 36.274 1.00 55.83 O +ATOM 2172 CB SER B 17 23.654 -70.797 35.631 1.00 48.63 C +ATOM 2173 OG SER B 17 23.633 -71.663 34.502 1.00 40.86 O +ATOM 2174 H SER B 17 22.783 -68.618 34.040 1.00 15.00 H +ATOM 2175 HG SER B 17 24.466 -72.140 34.454 1.00 15.00 H +ATOM 2176 N LEU B 18 22.471 -69.048 37.955 1.00 47.31 N +ATOM 2177 CA LEU B 18 22.664 -68.058 39.015 1.00 48.10 C +ATOM 2178 C LEU B 18 22.869 -68.797 40.347 1.00 52.00 C +ATOM 2179 O LEU B 18 22.258 -69.843 40.587 1.00 56.67 O +ATOM 2180 CB LEU B 18 21.467 -67.099 39.064 1.00 52.14 C +ATOM 2181 CG LEU B 18 21.477 -65.773 39.843 1.00 53.21 C +ATOM 2182 CD1 LEU B 18 22.763 -64.996 39.654 1.00 57.78 C +ATOM 2183 CD2 LEU B 18 20.307 -64.939 39.372 1.00 51.53 C +ATOM 2184 H LEU B 18 22.192 -69.958 38.216 1.00 15.00 H +ATOM 2185 N LYS B 19 23.770 -68.286 41.181 1.00 48.31 N +ATOM 2186 CA LYS B 19 24.096 -68.911 42.460 1.00 48.43 C +ATOM 2187 C LYS B 19 23.553 -68.083 43.610 1.00 47.22 C +ATOM 2188 O LYS B 19 23.965 -66.941 43.812 1.00 45.69 O +ATOM 2189 CB LYS B 19 25.617 -69.050 42.575 1.00 62.64 C +ATOM 2190 CG LYS B 19 26.149 -69.873 43.746 1.00 73.76 C +ATOM 2191 CD LYS B 19 27.669 -70.039 43.599 1.00 87.83 C +ATOM 2192 CE LYS B 19 28.287 -70.930 44.671 1.00 93.13 C +ATOM 2193 NZ LYS B 19 29.746 -71.159 44.427 1.00 95.60 N +ATOM 2194 H LYS B 19 24.216 -67.445 40.961 1.00 15.00 H +ATOM 2195 HZ1 LYS B 19 30.243 -70.247 44.413 1.00 15.00 H +ATOM 2196 HZ2 LYS B 19 30.141 -71.759 45.180 1.00 15.00 H +ATOM 2197 HZ3 LYS B 19 29.864 -71.635 43.510 1.00 15.00 H +ATOM 2198 N LEU B 20 22.629 -68.672 44.362 1.00 47.92 N +ATOM 2199 CA LEU B 20 21.992 -68.006 45.493 1.00 40.78 C +ATOM 2200 C LEU B 20 22.611 -68.369 46.851 1.00 37.70 C +ATOM 2201 O LEU B 20 22.623 -69.535 47.251 1.00 43.79 O +ATOM 2202 CB LEU B 20 20.493 -68.317 45.485 1.00 32.29 C +ATOM 2203 CG LEU B 20 19.748 -67.875 44.227 1.00 32.30 C +ATOM 2204 CD1 LEU B 20 18.287 -68.260 44.310 1.00 32.02 C +ATOM 2205 CD2 LEU B 20 19.897 -66.376 44.064 1.00 29.36 C +ATOM 2206 H LEU B 20 22.376 -69.595 44.156 1.00 15.00 H +ATOM 2207 N SER B 21 23.100 -67.355 47.558 1.00 32.52 N +ATOM 2208 CA SER B 21 23.723 -67.534 48.860 1.00 29.83 C +ATOM 2209 C SER B 21 22.760 -67.115 49.966 1.00 30.54 C +ATOM 2210 O SER B 21 21.958 -66.204 49.781 1.00 27.28 O +ATOM 2211 CB SER B 21 25.011 -66.702 48.935 1.00 37.33 C +ATOM 2212 OG SER B 21 25.874 -66.990 47.840 1.00 22.12 O +ATOM 2213 H SER B 21 23.007 -66.439 47.221 1.00 15.00 H +ATOM 2214 HG SER B 21 25.434 -66.740 47.020 1.00 15.00 H +ATOM 2215 N CYS B 22 22.824 -67.797 51.103 1.00 33.57 N +ATOM 2216 CA CYS B 22 21.959 -67.495 52.236 1.00 42.80 C +ATOM 2217 C CYS B 22 22.831 -67.443 53.461 1.00 49.40 C +ATOM 2218 O CYS B 22 23.443 -68.438 53.828 1.00 49.68 O +ATOM 2219 CB CYS B 22 20.875 -68.570 52.424 1.00 38.75 C +ATOM 2220 SG CYS B 22 19.945 -68.484 54.001 1.00 42.23 S +ATOM 2221 H CYS B 22 23.481 -68.513 51.203 1.00 15.00 H +ATOM 2222 N ALA B 23 22.919 -66.267 54.066 1.00 57.61 N +ATOM 2223 CA ALA B 23 23.724 -66.083 55.259 1.00 60.51 C +ATOM 2224 C ALA B 23 22.909 -66.312 56.536 1.00 66.20 C +ATOM 2225 O ALA B 23 21.861 -65.694 56.741 1.00 66.25 O +ATOM 2226 CB ALA B 23 24.321 -64.695 55.258 1.00 61.80 C +ATOM 2227 H ALA B 23 22.432 -65.493 53.717 1.00 15.00 H +ATOM 2228 N THR B 24 23.390 -67.212 57.386 1.00 66.06 N +ATOM 2229 CA THR B 24 22.721 -67.519 58.640 1.00 62.49 C +ATOM 2230 C THR B 24 23.556 -67.015 59.805 1.00 63.82 C +ATOM 2231 O THR B 24 24.786 -67.138 59.797 1.00 51.15 O +ATOM 2232 CB THR B 24 22.488 -69.037 58.805 1.00 64.91 C +ATOM 2233 OG1 THR B 24 23.722 -69.750 58.637 1.00 62.52 O +ATOM 2234 CG2 THR B 24 21.487 -69.528 57.785 1.00 65.00 C +ATOM 2235 H THR B 24 24.232 -67.661 57.186 1.00 15.00 H +ATOM 2236 HG1 THR B 24 24.431 -69.100 58.517 1.00 15.00 H +ATOM 2237 N SER B 25 22.877 -66.452 60.802 1.00 69.78 N +ATOM 2238 CA SER B 25 23.519 -65.920 62.001 1.00 68.14 C +ATOM 2239 C SER B 25 22.583 -66.043 63.195 1.00 69.92 C +ATOM 2240 O SER B 25 21.363 -65.966 63.045 1.00 74.13 O +ATOM 2241 CB SER B 25 23.873 -64.449 61.797 1.00 58.93 C +ATOM 2242 OG SER B 25 24.799 -64.298 60.738 1.00 62.74 O +ATOM 2243 H SER B 25 21.902 -66.346 60.738 1.00 15.00 H +ATOM 2244 HG SER B 25 24.808 -63.375 60.472 1.00 15.00 H +ATOM 2245 N GLY B 26 23.156 -66.281 64.372 1.00 73.92 N +ATOM 2246 CA GLY B 26 22.359 -66.387 65.585 1.00 70.83 C +ATOM 2247 C GLY B 26 22.032 -67.771 66.128 1.00 68.48 C +ATOM 2248 O GLY B 26 21.364 -67.878 67.159 1.00 72.26 O +ATOM 2249 H GLY B 26 24.126 -66.387 64.424 1.00 15.00 H +ATOM 2250 N PHE B 27 22.510 -68.825 65.475 1.00 58.57 N +ATOM 2251 CA PHE B 27 22.222 -70.177 65.935 1.00 53.90 C +ATOM 2252 C PHE B 27 23.266 -71.169 65.474 1.00 59.34 C +ATOM 2253 O PHE B 27 24.061 -70.871 64.587 1.00 64.66 O +ATOM 2254 CB PHE B 27 20.842 -70.622 65.435 1.00 49.87 C +ATOM 2255 CG PHE B 27 20.626 -70.438 63.941 1.00 45.88 C +ATOM 2256 CD1 PHE B 27 21.085 -71.391 63.024 1.00 42.75 C +ATOM 2257 CD2 PHE B 27 19.919 -69.333 63.461 1.00 30.07 C +ATOM 2258 CE1 PHE B 27 20.843 -71.252 61.657 1.00 25.75 C +ATOM 2259 CE2 PHE B 27 19.672 -69.183 62.108 1.00 16.58 C +ATOM 2260 CZ PHE B 27 20.138 -70.152 61.199 1.00 27.80 C +ATOM 2261 H PHE B 27 23.068 -68.727 64.679 1.00 15.00 H +ATOM 2262 N THR B 28 23.272 -72.345 66.087 1.00 65.95 N +ATOM 2263 CA THR B 28 24.207 -73.395 65.702 1.00 71.51 C +ATOM 2264 C THR B 28 23.712 -73.920 64.348 1.00 69.42 C +ATOM 2265 O THR B 28 23.097 -74.986 64.259 1.00 69.90 O +ATOM 2266 CB THR B 28 24.216 -74.543 66.743 1.00 74.17 C +ATOM 2267 OG1 THR B 28 24.127 -73.992 68.065 1.00 76.77 O +ATOM 2268 CG2 THR B 28 25.502 -75.359 66.626 1.00 72.26 C +ATOM 2269 H THR B 28 22.675 -72.525 66.842 1.00 15.00 H +ATOM 2270 HG1 THR B 28 24.169 -74.708 68.709 1.00 15.00 H +ATOM 2271 N PHE B 29 23.957 -73.136 63.304 1.00 61.90 N +ATOM 2272 CA PHE B 29 23.537 -73.464 61.948 1.00 60.62 C +ATOM 2273 C PHE B 29 23.806 -74.920 61.589 1.00 59.72 C +ATOM 2274 O PHE B 29 22.981 -75.567 60.948 1.00 57.30 O +ATOM 2275 CB PHE B 29 24.227 -72.510 60.954 1.00 59.50 C +ATOM 2276 CG PHE B 29 24.024 -72.868 59.501 1.00 48.44 C +ATOM 2277 CD1 PHE B 29 22.830 -72.583 58.861 1.00 52.56 C +ATOM 2278 CD2 PHE B 29 25.035 -73.488 58.780 1.00 44.93 C +ATOM 2279 CE1 PHE B 29 22.647 -72.911 57.525 1.00 52.38 C +ATOM 2280 CE2 PHE B 29 24.864 -73.820 57.451 1.00 46.75 C +ATOM 2281 CZ PHE B 29 23.668 -73.532 56.819 1.00 52.69 C +ATOM 2282 H PHE B 29 24.457 -72.304 63.437 1.00 15.00 H +ATOM 2283 N SER B 30 24.918 -75.448 62.085 1.00 55.30 N +ATOM 2284 CA SER B 30 25.326 -76.818 61.809 1.00 51.39 C +ATOM 2285 C SER B 30 24.411 -77.919 62.333 1.00 49.95 C +ATOM 2286 O SER B 30 24.696 -79.098 62.111 1.00 46.46 O +ATOM 2287 CB SER B 30 26.743 -77.036 62.339 1.00 51.12 C +ATOM 2288 OG SER B 30 26.925 -76.393 63.592 1.00 53.06 O +ATOM 2289 H SER B 30 25.494 -74.928 62.683 1.00 15.00 H +ATOM 2290 HG SER B 30 27.784 -76.653 63.945 1.00 15.00 H +ATOM 2291 N ASP B 31 23.327 -77.541 63.014 1.00 52.68 N +ATOM 2292 CA ASP B 31 22.392 -78.513 63.589 1.00 62.71 C +ATOM 2293 C ASP B 31 20.969 -78.505 63.010 1.00 63.58 C +ATOM 2294 O ASP B 31 20.125 -79.313 63.423 1.00 65.90 O +ATOM 2295 CB ASP B 31 22.311 -78.350 65.122 1.00 73.45 C +ATOM 2296 CG ASP B 31 23.574 -78.829 65.849 1.00 79.90 C +ATOM 2297 OD1 ASP B 31 24.211 -79.813 65.404 1.00 82.36 O +ATOM 2298 OD2 ASP B 31 23.916 -78.226 66.892 1.00 86.58 O +ATOM 2299 H ASP B 31 23.126 -76.597 63.138 1.00 15.00 H +ATOM 2300 N TYR B 32 20.704 -77.625 62.047 1.00 63.47 N +ATOM 2301 CA TYR B 32 19.368 -77.530 61.443 1.00 58.77 C +ATOM 2302 C TYR B 32 19.285 -77.985 59.978 1.00 60.93 C +ATOM 2303 O TYR B 32 20.298 -78.119 59.294 1.00 63.89 O +ATOM 2304 CB TYR B 32 18.854 -76.092 61.522 1.00 50.44 C +ATOM 2305 CG TYR B 32 18.799 -75.507 62.907 1.00 49.92 C +ATOM 2306 CD1 TYR B 32 19.926 -74.928 63.485 1.00 54.44 C +ATOM 2307 CD2 TYR B 32 17.607 -75.480 63.621 1.00 55.28 C +ATOM 2308 CE1 TYR B 32 19.864 -74.330 64.736 1.00 56.42 C +ATOM 2309 CE2 TYR B 32 17.532 -74.884 64.874 1.00 57.16 C +ATOM 2310 CZ TYR B 32 18.662 -74.305 65.424 1.00 56.89 C +ATOM 2311 OH TYR B 32 18.572 -73.663 66.639 1.00 62.09 O +ATOM 2312 H TYR B 32 21.432 -77.074 61.686 1.00 15.00 H +ATOM 2313 HH TYR B 32 19.424 -73.297 66.881 1.00 15.00 H +ATOM 2314 N TYR B 33 18.065 -78.238 59.514 1.00 59.40 N +ATOM 2315 CA TYR B 33 17.823 -78.634 58.130 1.00 55.02 C +ATOM 2316 C TYR B 33 17.325 -77.350 57.499 1.00 52.32 C +ATOM 2317 O TYR B 33 16.566 -76.610 58.133 1.00 51.93 O +ATOM 2318 CB TYR B 33 16.741 -79.704 58.063 1.00 57.10 C +ATOM 2319 CG TYR B 33 17.056 -80.882 58.934 1.00 72.50 C +ATOM 2320 CD1 TYR B 33 16.846 -80.826 60.314 1.00 79.63 C +ATOM 2321 CD2 TYR B 33 17.625 -82.029 58.398 1.00 77.12 C +ATOM 2322 CE1 TYR B 33 17.207 -81.884 61.139 1.00 90.19 C +ATOM 2323 CE2 TYR B 33 17.991 -83.096 59.211 1.00 88.89 C +ATOM 2324 CZ TYR B 33 17.785 -83.017 60.582 1.00 91.62 C +ATOM 2325 OH TYR B 33 18.197 -84.054 61.393 1.00 95.43 O +ATOM 2326 H TYR B 33 17.305 -78.104 60.112 1.00 15.00 H +ATOM 2327 HH TYR B 33 17.895 -83.901 62.296 1.00 15.00 H +ATOM 2328 N MET B 34 17.760 -77.060 56.278 1.00 47.84 N +ATOM 2329 CA MET B 34 17.339 -75.827 55.626 1.00 43.59 C +ATOM 2330 C MET B 34 16.486 -75.978 54.362 1.00 44.25 C +ATOM 2331 O MET B 34 16.602 -76.952 53.602 1.00 37.23 O +ATOM 2332 CB MET B 34 18.546 -74.936 55.365 1.00 42.10 C +ATOM 2333 CG MET B 34 19.335 -74.601 56.619 1.00 31.64 C +ATOM 2334 SD MET B 34 18.434 -73.589 57.787 1.00 31.70 S +ATOM 2335 CE MET B 34 18.935 -71.966 57.227 1.00 11.24 C +ATOM 2336 H MET B 34 18.350 -77.690 55.812 1.00 15.00 H +ATOM 2337 N TYR B 35 15.616 -74.995 54.165 1.00 40.63 N +ATOM 2338 CA TYR B 35 14.708 -74.972 53.041 1.00 33.13 C +ATOM 2339 C TYR B 35 14.914 -73.758 52.175 1.00 29.39 C +ATOM 2340 O TYR B 35 15.368 -72.707 52.638 1.00 25.52 O +ATOM 2341 CB TYR B 35 13.280 -74.932 53.550 1.00 34.74 C +ATOM 2342 CG TYR B 35 12.889 -76.133 54.355 1.00 39.58 C +ATOM 2343 CD1 TYR B 35 13.311 -77.405 53.977 1.00 42.72 C +ATOM 2344 CD2 TYR B 35 12.054 -76.014 55.471 1.00 38.62 C +ATOM 2345 CE1 TYR B 35 12.908 -78.540 54.683 1.00 44.70 C +ATOM 2346 CE2 TYR B 35 11.640 -77.148 56.191 1.00 38.97 C +ATOM 2347 CZ TYR B 35 12.075 -78.410 55.785 1.00 40.40 C +ATOM 2348 OH TYR B 35 11.690 -79.551 56.459 1.00 39.74 O +ATOM 2349 H TYR B 35 15.607 -74.234 54.782 1.00 15.00 H +ATOM 2350 HH TYR B 35 11.965 -80.304 55.911 1.00 15.00 H +ATOM 2351 N TRP B 36 14.582 -73.918 50.906 1.00 25.91 N +ATOM 2352 CA TRP B 36 14.650 -72.825 49.959 1.00 22.83 C +ATOM 2353 C TRP B 36 13.214 -72.747 49.475 1.00 20.27 C +ATOM 2354 O TRP B 36 12.644 -73.748 49.031 1.00 21.81 O +ATOM 2355 CB TRP B 36 15.574 -73.162 48.802 1.00 14.55 C +ATOM 2356 CG TRP B 36 16.959 -72.604 48.918 1.00 21.68 C +ATOM 2357 CD1 TRP B 36 18.125 -73.295 48.785 1.00 28.34 C +ATOM 2358 CD2 TRP B 36 17.333 -71.227 49.098 1.00 20.97 C +ATOM 2359 NE1 TRP B 36 19.198 -72.440 48.858 1.00 27.75 N +ATOM 2360 CE2 TRP B 36 18.742 -71.165 49.044 1.00 12.35 C +ATOM 2361 CE3 TRP B 36 16.617 -70.041 49.291 1.00 20.97 C +ATOM 2362 CZ2 TRP B 36 19.444 -69.972 49.173 1.00 16.39 C +ATOM 2363 CZ3 TRP B 36 17.321 -68.845 49.420 1.00 6.66 C +ATOM 2364 CH2 TRP B 36 18.717 -68.822 49.361 1.00 6.42 C +ATOM 2365 H TRP B 36 14.242 -74.779 50.605 1.00 15.00 H +ATOM 2366 HE1 TRP B 36 20.124 -72.737 48.826 1.00 15.00 H +ATOM 2367 N VAL B 37 12.588 -71.604 49.682 1.00 9.12 N +ATOM 2368 CA VAL B 37 11.210 -71.421 49.253 1.00 15.56 C +ATOM 2369 C VAL B 37 11.107 -70.231 48.302 1.00 14.30 C +ATOM 2370 O VAL B 37 11.818 -69.232 48.461 1.00 16.52 O +ATOM 2371 CB VAL B 37 10.286 -71.170 50.457 1.00 16.39 C +ATOM 2372 CG1 VAL B 37 8.842 -71.056 50.001 1.00 2.00 C +ATOM 2373 CG2 VAL B 37 10.445 -72.280 51.475 1.00 26.03 C +ATOM 2374 H VAL B 37 13.045 -70.855 50.103 1.00 15.00 H +ATOM 2375 N ARG B 38 10.244 -70.335 47.301 1.00 7.22 N +ATOM 2376 CA ARG B 38 10.074 -69.234 46.364 1.00 14.11 C +ATOM 2377 C ARG B 38 8.622 -68.837 46.295 1.00 12.24 C +ATOM 2378 O ARG B 38 7.738 -69.695 46.361 1.00 22.32 O +ATOM 2379 CB ARG B 38 10.574 -69.593 44.961 1.00 7.52 C +ATOM 2380 CG ARG B 38 9.731 -70.593 44.191 1.00 2.00 C +ATOM 2381 CD ARG B 38 10.359 -70.828 42.821 1.00 4.90 C +ATOM 2382 NE ARG B 38 9.669 -71.836 42.015 1.00 2.00 N +ATOM 2383 CZ ARG B 38 10.193 -72.399 40.924 1.00 14.68 C +ATOM 2384 NH1 ARG B 38 11.405 -72.050 40.495 1.00 2.00 N +ATOM 2385 NH2 ARG B 38 9.529 -73.348 40.277 1.00 17.39 N +ATOM 2386 H ARG B 38 9.689 -71.129 47.190 1.00 15.00 H +ATOM 2387 HE ARG B 38 8.782 -72.083 42.323 1.00 15.00 H +ATOM 2388 HH11 ARG B 38 11.947 -71.372 40.990 1.00 15.00 H +ATOM 2389 HH12 ARG B 38 11.793 -72.494 39.692 1.00 15.00 H +ATOM 2390 HH21 ARG B 38 8.632 -73.645 40.609 1.00 15.00 H +ATOM 2391 HH22 ARG B 38 9.925 -73.773 39.464 1.00 15.00 H +ATOM 2392 N GLN B 39 8.388 -67.533 46.194 1.00 11.01 N +ATOM 2393 CA GLN B 39 7.041 -66.961 46.086 1.00 8.44 C +ATOM 2394 C GLN B 39 7.018 -66.208 44.750 1.00 15.99 C +ATOM 2395 O GLN B 39 7.817 -65.277 44.550 1.00 13.17 O +ATOM 2396 CB GLN B 39 6.779 -65.991 47.240 1.00 2.00 C +ATOM 2397 CG GLN B 39 5.379 -65.418 47.241 1.00 2.00 C +ATOM 2398 CD GLN B 39 5.119 -64.492 48.410 1.00 6.08 C +ATOM 2399 OE1 GLN B 39 5.925 -63.591 48.720 1.00 4.39 O +ATOM 2400 NE2 GLN B 39 3.996 -64.713 49.084 1.00 5.41 N +ATOM 2401 H GLN B 39 9.160 -66.930 46.154 1.00 15.00 H +ATOM 2402 HE21 GLN B 39 3.740 -64.139 49.826 1.00 15.00 H +ATOM 2403 HE22 GLN B 39 3.419 -65.452 48.807 1.00 15.00 H +ATOM 2404 N THR B 40 6.157 -66.630 43.821 1.00 18.78 N +ATOM 2405 CA THR B 40 6.082 -65.995 42.498 1.00 18.53 C +ATOM 2406 C THR B 40 5.406 -64.635 42.579 1.00 26.33 C +ATOM 2407 O THR B 40 4.744 -64.331 43.571 1.00 29.33 O +ATOM 2408 CB THR B 40 5.328 -66.871 41.491 1.00 16.54 C +ATOM 2409 OG1 THR B 40 4.004 -67.107 41.976 1.00 9.18 O +ATOM 2410 CG2 THR B 40 6.051 -68.201 41.265 1.00 8.15 C +ATOM 2411 H THR B 40 5.530 -67.351 44.039 1.00 15.00 H +ATOM 2412 HG1 THR B 40 3.609 -67.765 41.385 1.00 15.00 H +ATOM 2413 N PRO B 41 5.536 -63.803 41.526 1.00 34.35 N +ATOM 2414 CA PRO B 41 4.922 -62.466 41.509 1.00 30.71 C +ATOM 2415 C PRO B 41 3.423 -62.508 41.757 1.00 25.16 C +ATOM 2416 O PRO B 41 2.838 -61.527 42.187 1.00 28.91 O +ATOM 2417 CB PRO B 41 5.228 -61.975 40.102 1.00 33.56 C +ATOM 2418 CG PRO B 41 6.538 -62.635 39.803 1.00 32.71 C +ATOM 2419 CD PRO B 41 6.281 -64.038 40.278 1.00 31.58 C +ATOM 2420 N GLU B 42 2.810 -63.643 41.449 1.00 22.49 N +ATOM 2421 CA GLU B 42 1.382 -63.851 41.653 1.00 33.71 C +ATOM 2422 C GLU B 42 1.044 -63.994 43.149 1.00 45.33 C +ATOM 2423 O GLU B 42 -0.131 -64.043 43.521 1.00 49.05 O +ATOM 2424 CB GLU B 42 0.933 -65.113 40.906 1.00 31.92 C +ATOM 2425 CG GLU B 42 0.529 -64.897 39.457 1.00 45.29 C +ATOM 2426 CD GLU B 42 1.614 -64.264 38.616 1.00 51.73 C +ATOM 2427 OE1 GLU B 42 2.710 -64.854 38.547 1.00 61.34 O +ATOM 2428 OE2 GLU B 42 1.370 -63.188 38.014 1.00 51.74 O +ATOM 2429 H GLU B 42 3.335 -64.372 41.074 1.00 15.00 H +ATOM 2430 N LYS B 43 2.083 -64.065 43.986 1.00 51.42 N +ATOM 2431 CA LYS B 43 1.991 -64.217 45.449 1.00 50.33 C +ATOM 2432 C LYS B 43 1.808 -65.658 45.976 1.00 40.71 C +ATOM 2433 O LYS B 43 1.618 -65.878 47.170 1.00 37.56 O +ATOM 2434 CB LYS B 43 0.951 -63.267 46.062 1.00 61.41 C +ATOM 2435 CG LYS B 43 1.360 -61.787 46.100 1.00 83.20 C +ATOM 2436 CD LYS B 43 0.995 -61.036 44.811 1.00105.07 C +ATOM 2437 CE LYS B 43 1.259 -59.528 44.928 1.00114.76 C +ATOM 2438 NZ LYS B 43 0.848 -58.751 43.713 1.00116.48 N +ATOM 2439 H LYS B 43 2.973 -63.990 43.616 1.00 15.00 H +ATOM 2440 HZ1 LYS B 43 1.352 -59.112 42.878 1.00 15.00 H +ATOM 2441 HZ2 LYS B 43 -0.175 -58.850 43.558 1.00 15.00 H +ATOM 2442 HZ3 LYS B 43 1.082 -57.748 43.853 1.00 15.00 H +ATOM 2443 N ARG B 44 1.927 -66.636 45.087 1.00 36.59 N +ATOM 2444 CA ARG B 44 1.802 -68.052 45.433 1.00 34.91 C +ATOM 2445 C ARG B 44 3.140 -68.555 46.016 1.00 34.29 C +ATOM 2446 O ARG B 44 4.209 -68.048 45.651 1.00 33.88 O +ATOM 2447 CB ARG B 44 1.402 -68.828 44.169 1.00 36.14 C +ATOM 2448 CG ARG B 44 1.730 -70.306 44.134 1.00 59.27 C +ATOM 2449 CD ARG B 44 0.789 -71.154 44.979 1.00 80.12 C +ATOM 2450 NE ARG B 44 1.148 -72.572 44.907 1.00 94.40 N +ATOM 2451 CZ ARG B 44 0.965 -73.450 45.891 1.00100.80 C +ATOM 2452 NH1 ARG B 44 0.415 -73.071 47.041 1.00102.35 N +ATOM 2453 NH2 ARG B 44 1.332 -74.714 45.723 1.00103.83 N +ATOM 2454 H ARG B 44 2.124 -66.394 44.161 1.00 15.00 H +ATOM 2455 HE ARG B 44 1.556 -72.898 44.077 1.00 15.00 H +ATOM 2456 HH11 ARG B 44 0.131 -72.125 47.187 1.00 15.00 H +ATOM 2457 HH12 ARG B 44 0.291 -73.745 47.767 1.00 15.00 H +ATOM 2458 HH21 ARG B 44 1.744 -75.002 44.859 1.00 15.00 H +ATOM 2459 HH22 ARG B 44 1.196 -75.375 46.461 1.00 15.00 H +ATOM 2460 N LEU B 45 3.080 -69.511 46.948 1.00 21.24 N +ATOM 2461 CA LEU B 45 4.288 -70.049 47.569 1.00 6.91 C +ATOM 2462 C LEU B 45 4.680 -71.422 47.020 1.00 5.53 C +ATOM 2463 O LEU B 45 3.818 -72.256 46.767 1.00 5.91 O +ATOM 2464 CB LEU B 45 4.097 -70.112 49.077 1.00 2.00 C +ATOM 2465 CG LEU B 45 4.370 -68.798 49.824 1.00 8.18 C +ATOM 2466 CD1 LEU B 45 3.621 -68.741 51.130 1.00 10.87 C +ATOM 2467 CD2 LEU B 45 5.849 -68.607 50.080 1.00 2.00 C +ATOM 2468 H LEU B 45 2.219 -69.891 47.210 1.00 15.00 H +ATOM 2469 N GLU B 46 5.971 -71.649 46.803 1.00 2.00 N +ATOM 2470 CA GLU B 46 6.440 -72.943 46.302 1.00 12.57 C +ATOM 2471 C GLU B 46 7.672 -73.415 47.065 1.00 10.58 C +ATOM 2472 O GLU B 46 8.581 -72.632 47.317 1.00 18.14 O +ATOM 2473 CB GLU B 46 6.787 -72.870 44.816 1.00 23.07 C +ATOM 2474 CG GLU B 46 5.605 -72.604 43.890 1.00 34.97 C +ATOM 2475 CD GLU B 46 5.937 -72.809 42.408 1.00 39.44 C +ATOM 2476 OE1 GLU B 46 7.122 -73.044 42.056 1.00 27.19 O +ATOM 2477 OE2 GLU B 46 4.991 -72.740 41.593 1.00 40.75 O +ATOM 2478 H GLU B 46 6.625 -70.957 47.010 1.00 15.00 H +ATOM 2479 N TRP B 47 7.697 -74.677 47.472 1.00 7.54 N +ATOM 2480 CA TRP B 47 8.869 -75.181 48.176 1.00 14.06 C +ATOM 2481 C TRP B 47 9.926 -75.584 47.148 1.00 7.95 C +ATOM 2482 O TRP B 47 9.738 -76.511 46.373 1.00 2.00 O +ATOM 2483 CB TRP B 47 8.519 -76.358 49.083 1.00 18.46 C +ATOM 2484 CG TRP B 47 9.733 -77.031 49.634 1.00 20.15 C +ATOM 2485 CD1 TRP B 47 10.610 -76.530 50.555 1.00 33.72 C +ATOM 2486 CD2 TRP B 47 10.253 -78.297 49.234 1.00 15.31 C +ATOM 2487 NE1 TRP B 47 11.655 -77.409 50.740 1.00 27.81 N +ATOM 2488 CE2 TRP B 47 11.456 -78.500 49.939 1.00 14.36 C +ATOM 2489 CE3 TRP B 47 9.818 -79.283 48.343 1.00 19.09 C +ATOM 2490 CZ2 TRP B 47 12.230 -79.638 49.775 1.00 21.23 C +ATOM 2491 CZ3 TRP B 47 10.588 -80.416 48.179 1.00 20.58 C +ATOM 2492 CH2 TRP B 47 11.783 -80.584 48.892 1.00 25.74 C +ATOM 2493 H TRP B 47 6.957 -75.279 47.272 1.00 15.00 H +ATOM 2494 HE1 TRP B 47 12.444 -77.257 51.309 1.00 15.00 H +ATOM 2495 N VAL B 48 11.038 -74.872 47.153 1.00 7.77 N +ATOM 2496 CA VAL B 48 12.101 -75.132 46.202 1.00 14.17 C +ATOM 2497 C VAL B 48 13.006 -76.280 46.585 1.00 10.54 C +ATOM 2498 O VAL B 48 13.216 -77.165 45.774 1.00 5.85 O +ATOM 2499 CB VAL B 48 12.951 -73.885 45.952 1.00 23.55 C +ATOM 2500 CG1 VAL B 48 13.848 -74.096 44.747 1.00 23.87 C +ATOM 2501 CG2 VAL B 48 12.059 -72.685 45.737 1.00 35.08 C +ATOM 2502 H VAL B 48 11.151 -74.171 47.827 1.00 15.00 H +ATOM 2503 N ALA B 49 13.561 -76.267 47.792 1.00 13.66 N +ATOM 2504 CA ALA B 49 14.436 -77.366 48.205 1.00 21.16 C +ATOM 2505 C ALA B 49 14.650 -77.517 49.705 1.00 24.48 C +ATOM 2506 O ALA B 49 14.352 -76.613 50.501 1.00 21.88 O +ATOM 2507 CB ALA B 49 15.778 -77.250 47.513 1.00 24.68 C +ATOM 2508 H ALA B 49 13.360 -75.544 48.423 1.00 15.00 H +ATOM 2509 N TYR B 50 15.181 -78.675 50.069 1.00 23.36 N +ATOM 2510 CA TYR B 50 15.485 -79.015 51.450 1.00 36.73 C +ATOM 2511 C TYR B 50 16.840 -79.687 51.472 1.00 38.98 C +ATOM 2512 O TYR B 50 17.216 -80.378 50.521 1.00 39.71 O +ATOM 2513 CB TYR B 50 14.433 -79.974 52.006 1.00 51.42 C +ATOM 2514 CG TYR B 50 14.945 -81.013 52.991 1.00 78.65 C +ATOM 2515 CD1 TYR B 50 15.136 -80.700 54.338 1.00 92.35 C +ATOM 2516 CD2 TYR B 50 15.216 -82.322 52.578 1.00 92.87 C +ATOM 2517 CE1 TYR B 50 15.584 -81.669 55.256 1.00102.54 C +ATOM 2518 CE2 TYR B 50 15.664 -83.299 53.486 1.00101.29 C +ATOM 2519 CZ TYR B 50 15.843 -82.964 54.823 1.00102.15 C +ATOM 2520 OH TYR B 50 16.264 -83.924 55.724 1.00101.48 O +ATOM 2521 H TYR B 50 15.393 -79.342 49.379 1.00 15.00 H +ATOM 2522 HH TYR B 50 16.274 -84.774 55.277 1.00 15.00 H +ATOM 2523 N ILE B 51 17.555 -79.514 52.575 1.00 45.14 N +ATOM 2524 CA ILE B 51 18.873 -80.120 52.742 1.00 44.37 C +ATOM 2525 C ILE B 51 19.049 -80.715 54.148 1.00 50.59 C +ATOM 2526 O ILE B 51 18.476 -80.222 55.133 1.00 48.17 O +ATOM 2527 CB ILE B 51 19.999 -79.103 52.469 1.00 32.93 C +ATOM 2528 CG1 ILE B 51 21.295 -79.845 52.156 1.00 26.65 C +ATOM 2529 CG2 ILE B 51 20.187 -78.160 53.668 1.00 22.78 C +ATOM 2530 CD1 ILE B 51 22.466 -78.927 51.885 1.00 31.71 C +ATOM 2531 H ILE B 51 17.193 -78.971 53.308 1.00 15.00 H +ATOM 2532 N SER B 52 19.831 -81.787 54.222 1.00 55.92 N +ATOM 2533 CA SER B 52 20.108 -82.476 55.480 1.00 61.59 C +ATOM 2534 C SER B 52 21.073 -81.703 56.380 1.00 65.05 C +ATOM 2535 O SER B 52 21.806 -80.823 55.920 1.00 73.44 O +ATOM 2536 CB SER B 52 20.685 -83.855 55.187 1.00 57.85 C +ATOM 2537 OG SER B 52 20.842 -84.610 56.371 1.00 75.42 O +ATOM 2538 H SER B 52 20.227 -82.142 53.402 1.00 15.00 H +ATOM 2539 HG SER B 52 20.022 -85.093 56.541 1.00 15.00 H +ATOM 2540 N ASN B 52A 21.115 -82.099 57.649 1.00 65.83 N +ATOM 2541 CA ASN B 52A 21.973 -81.478 58.661 1.00 66.77 C +ATOM 2542 C ASN B 52A 23.422 -81.293 58.190 1.00 68.21 C +ATOM 2543 O ASN B 52A 23.996 -80.214 58.325 1.00 69.48 O +ATOM 2544 CB ASN B 52A 21.935 -82.314 59.948 1.00 63.53 C +ATOM 2545 CG ASN B 52A 21.681 -81.470 61.188 1.00 63.57 C +ATOM 2546 OD1 ASN B 52A 22.511 -80.647 61.557 1.00 58.19 O +ATOM 2547 ND2 ASN B 52A 20.534 -81.681 61.842 1.00 51.41 N +ATOM 2548 H ASN B 52A 20.546 -82.853 57.895 1.00 15.00 H +ATOM 2549 HD21 ASN B 52A 20.364 -81.105 62.622 1.00 15.00 H +ATOM 2550 HD22 ASN B 52A 19.924 -82.375 61.531 1.00 15.00 H +ATOM 2551 N GLY B 53 24.006 -82.346 57.626 1.00 69.12 N +ATOM 2552 CA GLY B 53 25.371 -82.260 57.143 1.00 68.19 C +ATOM 2553 C GLY B 53 25.451 -82.580 55.661 1.00 73.17 C +ATOM 2554 O GLY B 53 26.415 -83.199 55.202 1.00 76.23 O +ATOM 2555 H GLY B 53 23.521 -83.187 57.510 1.00 15.00 H +ATOM 2556 N GLY B 54 24.445 -82.144 54.906 1.00 70.47 N +ATOM 2557 CA GLY B 54 24.420 -82.410 53.478 1.00 66.16 C +ATOM 2558 C GLY B 54 24.038 -83.851 53.197 1.00 65.27 C +ATOM 2559 O GLY B 54 23.367 -84.489 54.013 1.00 64.06 O +ATOM 2560 H GLY B 54 23.722 -81.626 55.322 1.00 15.00 H +ATOM 2561 N GLY B 55 24.446 -84.360 52.039 1.00 66.35 N +ATOM 2562 CA GLY B 55 24.139 -85.736 51.674 1.00 68.26 C +ATOM 2563 C GLY B 55 22.691 -85.962 51.289 1.00 66.44 C +ATOM 2564 O GLY B 55 22.380 -86.218 50.124 1.00 70.29 O +ATOM 2565 H GLY B 55 24.969 -83.800 51.432 1.00 15.00 H +ATOM 2566 N SER B 56 21.805 -85.894 52.274 1.00 63.54 N +ATOM 2567 CA SER B 56 20.382 -86.071 52.030 1.00 65.72 C +ATOM 2568 C SER B 56 19.797 -84.734 51.574 1.00 64.35 C +ATOM 2569 O SER B 56 19.769 -83.767 52.351 1.00 59.88 O +ATOM 2570 CB SER B 56 19.672 -86.515 53.314 1.00 69.07 C +ATOM 2571 OG SER B 56 20.270 -87.668 53.882 1.00 78.49 O +ATOM 2572 H SER B 56 22.115 -85.696 53.181 1.00 15.00 H +ATOM 2573 HG SER B 56 21.199 -87.510 54.094 1.00 15.00 H +ATOM 2574 N THR B 57 19.372 -84.663 50.315 1.00 56.95 N +ATOM 2575 CA THR B 57 18.775 -83.443 49.783 1.00 46.55 C +ATOM 2576 C THR B 57 17.527 -83.848 49.055 1.00 46.61 C +ATOM 2577 O THR B 57 17.397 -85.007 48.655 1.00 43.35 O +ATOM 2578 CB THR B 57 19.680 -82.730 48.787 1.00 35.25 C +ATOM 2579 OG1 THR B 57 20.097 -83.659 47.780 1.00 43.65 O +ATOM 2580 CG2 THR B 57 20.886 -82.134 49.487 1.00 29.13 C +ATOM 2581 H THR B 57 19.406 -85.435 49.710 1.00 15.00 H +ATOM 2582 HG1 THR B 57 20.661 -84.334 48.170 1.00 15.00 H +ATOM 2583 N TYR B 58 16.618 -82.894 48.881 1.00 52.24 N +ATOM 2584 CA TYR B 58 15.357 -83.147 48.195 1.00 53.89 C +ATOM 2585 C TYR B 58 14.956 -81.916 47.399 1.00 44.45 C +ATOM 2586 O TYR B 58 15.123 -80.778 47.860 1.00 40.20 O +ATOM 2587 CB TYR B 58 14.262 -83.491 49.209 1.00 65.80 C +ATOM 2588 CG TYR B 58 13.074 -84.234 48.635 1.00 79.14 C +ATOM 2589 CD1 TYR B 58 12.311 -83.689 47.605 1.00 86.08 C +ATOM 2590 CD2 TYR B 58 12.695 -85.476 49.146 1.00 88.59 C +ATOM 2591 CE1 TYR B 58 11.197 -84.356 47.098 1.00 95.69 C +ATOM 2592 CE2 TYR B 58 11.581 -86.153 48.646 1.00 93.83 C +ATOM 2593 CZ TYR B 58 10.836 -85.584 47.623 1.00 96.96 C +ATOM 2594 OH TYR B 58 9.718 -86.227 47.136 1.00103.19 O +ATOM 2595 H TYR B 58 16.784 -81.982 49.210 1.00 15.00 H +ATOM 2596 HH TYR B 58 9.572 -87.055 47.604 1.00 15.00 H +ATOM 2597 N TYR B 59 14.422 -82.160 46.206 1.00 35.75 N +ATOM 2598 CA TYR B 59 13.983 -81.100 45.316 1.00 28.54 C +ATOM 2599 C TYR B 59 12.689 -81.488 44.632 1.00 26.80 C +ATOM 2600 O TYR B 59 12.599 -82.576 44.056 1.00 27.90 O +ATOM 2601 CB TYR B 59 14.999 -80.890 44.218 1.00 26.07 C +ATOM 2602 CG TYR B 59 16.394 -80.716 44.695 1.00 28.11 C +ATOM 2603 CD1 TYR B 59 16.770 -79.564 45.372 1.00 30.96 C +ATOM 2604 CD2 TYR B 59 17.352 -81.696 44.454 1.00 29.38 C +ATOM 2605 CE1 TYR B 59 18.062 -79.383 45.804 1.00 36.08 C +ATOM 2606 CE2 TYR B 59 18.652 -81.528 44.879 1.00 44.51 C +ATOM 2607 CZ TYR B 59 18.999 -80.363 45.554 1.00 47.02 C +ATOM 2608 OH TYR B 59 20.289 -80.169 45.979 1.00 65.19 O +ATOM 2609 H TYR B 59 14.291 -83.082 45.896 1.00 15.00 H +ATOM 2610 HH TYR B 59 20.808 -80.969 45.836 1.00 15.00 H +ATOM 2611 N PRO B 60 11.677 -80.602 44.660 1.00 19.63 N +ATOM 2612 CA PRO B 60 10.405 -80.908 44.010 1.00 16.10 C +ATOM 2613 C PRO B 60 10.655 -81.154 42.526 1.00 24.92 C +ATOM 2614 O PRO B 60 11.530 -80.525 41.916 1.00 18.77 O +ATOM 2615 CB PRO B 60 9.592 -79.639 44.242 1.00 6.69 C +ATOM 2616 CG PRO B 60 10.629 -78.584 44.364 1.00 3.85 C +ATOM 2617 CD PRO B 60 11.651 -79.244 45.219 1.00 5.82 C +ATOM 2618 N ASP B 61 9.910 -82.110 41.977 1.00 35.93 N +ATOM 2619 CA ASP B 61 9.996 -82.510 40.574 1.00 39.46 C +ATOM 2620 C ASP B 61 10.372 -81.341 39.670 1.00 42.76 C +ATOM 2621 O ASP B 61 11.374 -81.404 38.959 1.00 41.08 O +ATOM 2622 CB ASP B 61 8.659 -83.110 40.136 1.00 48.55 C +ATOM 2623 CG ASP B 61 8.172 -84.207 41.079 1.00 62.26 C +ATOM 2624 OD1 ASP B 61 7.579 -83.872 42.130 1.00 68.69 O +ATOM 2625 OD2 ASP B 61 8.383 -85.401 40.769 1.00 68.63 O +ATOM 2626 H ASP B 61 9.304 -82.583 42.574 1.00 15.00 H +ATOM 2627 N THR B 62 9.602 -80.256 39.774 1.00 43.21 N +ATOM 2628 CA THR B 62 9.815 -79.035 38.997 1.00 32.14 C +ATOM 2629 C THR B 62 11.299 -78.690 38.856 1.00 35.85 C +ATOM 2630 O THR B 62 11.851 -78.714 37.755 1.00 45.18 O +ATOM 2631 CB THR B 62 9.096 -77.809 39.648 1.00 30.82 C +ATOM 2632 OG1 THR B 62 9.541 -77.632 41.000 1.00 21.11 O +ATOM 2633 CG2 THR B 62 7.602 -78.000 39.660 1.00 33.25 C +ATOM 2634 H THR B 62 8.872 -80.262 40.418 1.00 15.00 H +ATOM 2635 HG1 THR B 62 9.112 -76.874 41.416 1.00 15.00 H +ATOM 2636 N VAL B 63 11.945 -78.434 39.988 1.00 22.97 N +ATOM 2637 CA VAL B 63 13.345 -78.050 40.021 1.00 22.02 C +ATOM 2638 C VAL B 63 14.340 -79.211 39.982 1.00 29.36 C +ATOM 2639 O VAL B 63 15.546 -78.987 39.828 1.00 30.20 O +ATOM 2640 CB VAL B 63 13.632 -77.199 41.265 1.00 27.76 C +ATOM 2641 CG1 VAL B 63 12.525 -76.155 41.464 1.00 31.04 C +ATOM 2642 CG2 VAL B 63 13.764 -78.081 42.501 1.00 31.80 C +ATOM 2643 H VAL B 63 11.452 -78.534 40.831 1.00 15.00 H +ATOM 2644 N LYS B 64 13.848 -80.439 40.121 1.00 31.42 N +ATOM 2645 CA LYS B 64 14.712 -81.617 40.112 1.00 37.83 C +ATOM 2646 C LYS B 64 15.563 -81.692 38.833 1.00 42.20 C +ATOM 2647 O LYS B 64 15.035 -81.721 37.723 1.00 50.92 O +ATOM 2648 CB LYS B 64 13.870 -82.890 40.293 1.00 43.05 C +ATOM 2649 CG LYS B 64 14.691 -84.150 40.579 1.00 60.50 C +ATOM 2650 CD LYS B 64 13.829 -85.373 40.911 1.00 68.24 C +ATOM 2651 CE LYS B 64 13.088 -85.213 42.238 1.00 72.91 C +ATOM 2652 NZ LYS B 64 14.019 -85.002 43.387 1.00 77.47 N +ATOM 2653 H LYS B 64 12.879 -80.564 40.192 1.00 15.00 H +ATOM 2654 HZ1 LYS B 64 14.679 -85.802 43.465 1.00 15.00 H +ATOM 2655 HZ2 LYS B 64 14.552 -84.123 43.236 1.00 15.00 H +ATOM 2656 HZ3 LYS B 64 13.463 -84.925 44.263 1.00 15.00 H +ATOM 2657 N GLY B 65 16.884 -81.702 38.988 1.00 39.44 N +ATOM 2658 CA GLY B 65 17.748 -81.760 37.825 1.00 34.21 C +ATOM 2659 C GLY B 65 18.324 -80.393 37.499 1.00 37.29 C +ATOM 2660 O GLY B 65 19.425 -80.285 36.961 1.00 33.14 O +ATOM 2661 H GLY B 65 17.270 -81.649 39.885 1.00 15.00 H +ATOM 2662 N ARG B 66 17.582 -79.339 37.816 1.00 36.56 N +ATOM 2663 CA ARG B 66 18.060 -77.983 37.562 1.00 35.96 C +ATOM 2664 C ARG B 66 18.681 -77.341 38.795 1.00 38.00 C +ATOM 2665 O ARG B 66 19.579 -76.502 38.691 1.00 43.34 O +ATOM 2666 CB ARG B 66 16.925 -77.075 37.110 1.00 34.26 C +ATOM 2667 CG ARG B 66 16.282 -77.433 35.815 1.00 32.06 C +ATOM 2668 CD ARG B 66 15.864 -76.160 35.102 1.00 32.35 C +ATOM 2669 NE ARG B 66 14.956 -75.312 35.876 1.00 18.76 N +ATOM 2670 CZ ARG B 66 13.725 -75.671 36.211 1.00 32.95 C +ATOM 2671 NH1 ARG B 66 13.266 -76.864 35.849 1.00 42.78 N +ATOM 2672 NH2 ARG B 66 12.943 -74.841 36.888 1.00 34.24 N +ATOM 2673 H ARG B 66 16.693 -79.462 38.211 1.00 15.00 H +ATOM 2674 HE ARG B 66 15.279 -74.434 36.171 1.00 15.00 H +ATOM 2675 HH11 ARG B 66 13.830 -77.496 35.317 1.00 15.00 H +ATOM 2676 HH12 ARG B 66 12.337 -77.130 36.101 1.00 15.00 H +ATOM 2677 HH21 ARG B 66 13.314 -73.959 37.162 1.00 15.00 H +ATOM 2678 HH22 ARG B 66 12.015 -75.105 37.149 1.00 15.00 H +ATOM 2679 N PHE B 67 18.155 -77.669 39.965 1.00 32.15 N +ATOM 2680 CA PHE B 67 18.678 -77.066 41.166 1.00 31.98 C +ATOM 2681 C PHE B 67 19.569 -77.946 42.023 1.00 37.22 C +ATOM 2682 O PHE B 67 19.487 -79.181 42.008 1.00 29.57 O +ATOM 2683 CB PHE B 67 17.544 -76.460 41.986 1.00 28.32 C +ATOM 2684 CG PHE B 67 16.836 -75.325 41.295 1.00 38.19 C +ATOM 2685 CD1 PHE B 67 17.379 -74.730 40.160 1.00 39.14 C +ATOM 2686 CD2 PHE B 67 15.620 -74.857 41.771 1.00 38.52 C +ATOM 2687 CE1 PHE B 67 16.721 -73.693 39.512 1.00 34.53 C +ATOM 2688 CE2 PHE B 67 14.955 -73.821 41.131 1.00 34.18 C +ATOM 2689 CZ PHE B 67 15.507 -73.239 39.998 1.00 42.74 C +ATOM 2690 H PHE B 67 17.422 -78.311 40.024 1.00 15.00 H +ATOM 2691 N THR B 68 20.432 -77.277 42.771 1.00 41.12 N +ATOM 2692 CA THR B 68 21.358 -77.941 43.650 1.00 33.20 C +ATOM 2693 C THR B 68 21.498 -77.116 44.925 1.00 32.61 C +ATOM 2694 O THR B 68 22.123 -76.060 44.919 1.00 39.10 O +ATOM 2695 CB THR B 68 22.710 -78.066 42.957 1.00 30.10 C +ATOM 2696 OG1 THR B 68 22.525 -78.655 41.663 1.00 42.55 O +ATOM 2697 CG2 THR B 68 23.645 -78.917 43.767 1.00 27.68 C +ATOM 2698 H THR B 68 20.484 -76.305 42.682 1.00 15.00 H +ATOM 2699 HG1 THR B 68 21.864 -79.355 41.713 1.00 15.00 H +ATOM 2700 N ILE B 69 20.837 -77.555 45.993 1.00 29.99 N +ATOM 2701 CA ILE B 69 20.916 -76.878 47.285 1.00 31.63 C +ATOM 2702 C ILE B 69 22.183 -77.375 47.960 1.00 36.12 C +ATOM 2703 O ILE B 69 22.584 -78.530 47.769 1.00 39.35 O +ATOM 2704 CB ILE B 69 19.701 -77.217 48.195 1.00 27.92 C +ATOM 2705 CG1 ILE B 69 19.711 -76.357 49.460 1.00 12.79 C +ATOM 2706 CG2 ILE B 69 19.718 -78.674 48.585 1.00 16.32 C +ATOM 2707 CD1 ILE B 69 18.451 -76.507 50.281 1.00 10.22 C +ATOM 2708 H ILE B 69 20.312 -78.366 45.933 1.00 15.00 H +ATOM 2709 N SER B 70 22.847 -76.504 48.708 1.00 39.50 N +ATOM 2710 CA SER B 70 24.059 -76.912 49.399 1.00 42.02 C +ATOM 2711 C SER B 70 24.290 -76.062 50.627 1.00 46.86 C +ATOM 2712 O SER B 70 23.544 -75.112 50.895 1.00 46.75 O +ATOM 2713 CB SER B 70 25.275 -76.837 48.475 1.00 38.54 C +ATOM 2714 OG SER B 70 25.652 -75.495 48.240 1.00 36.02 O +ATOM 2715 H SER B 70 22.533 -75.578 48.802 1.00 15.00 H +ATOM 2716 HG SER B 70 26.343 -75.490 47.572 1.00 15.00 H +ATOM 2717 N ARG B 71 25.333 -76.409 51.371 1.00 54.45 N +ATOM 2718 CA ARG B 71 25.674 -75.688 52.580 1.00 59.16 C +ATOM 2719 C ARG B 71 27.129 -75.902 52.944 1.00 67.18 C +ATOM 2720 O ARG B 71 27.754 -76.890 52.535 1.00 67.09 O +ATOM 2721 CB ARG B 71 24.790 -76.155 53.736 1.00 55.60 C +ATOM 2722 CG ARG B 71 24.939 -77.633 54.071 1.00 45.51 C +ATOM 2723 CD ARG B 71 23.929 -78.059 55.114 1.00 37.69 C +ATOM 2724 NE ARG B 71 24.000 -77.226 56.312 1.00 30.54 N +ATOM 2725 CZ ARG B 71 23.051 -77.177 57.243 1.00 31.07 C +ATOM 2726 NH1 ARG B 71 21.947 -77.907 57.115 1.00 24.19 N +ATOM 2727 NH2 ARG B 71 23.202 -76.392 58.303 1.00 35.50 N +ATOM 2728 H ARG B 71 25.922 -77.151 51.123 1.00 15.00 H +ATOM 2729 HE ARG B 71 24.789 -76.658 56.440 1.00 15.00 H +ATOM 2730 HH11 ARG B 71 21.823 -78.506 56.323 1.00 15.00 H +ATOM 2731 HH12 ARG B 71 21.244 -77.866 57.815 1.00 15.00 H +ATOM 2732 HH21 ARG B 71 24.026 -75.836 58.404 1.00 15.00 H +ATOM 2733 HH22 ARG B 71 22.488 -76.361 59.003 1.00 15.00 H +ATOM 2734 N ASP B 72 27.665 -74.929 53.672 1.00 76.17 N +ATOM 2735 CA ASP B 72 29.035 -74.957 54.163 1.00 85.47 C +ATOM 2736 C ASP B 72 28.911 -74.624 55.640 1.00 88.87 C +ATOM 2737 O ASP B 72 28.810 -73.448 56.016 1.00 91.71 O +ATOM 2738 CB ASP B 72 29.905 -73.902 53.462 1.00 87.28 C +ATOM 2739 CG ASP B 72 31.298 -73.792 54.071 1.00 86.48 C +ATOM 2740 OD1 ASP B 72 32.061 -74.781 54.011 1.00 94.67 O +ATOM 2741 OD2 ASP B 72 31.627 -72.718 54.616 1.00 80.12 O +ATOM 2742 H ASP B 72 27.103 -74.153 53.887 1.00 15.00 H +ATOM 2743 N ASN B 73 28.839 -75.667 56.461 1.00 90.11 N +ATOM 2744 CA ASN B 73 28.715 -75.523 57.908 1.00 91.19 C +ATOM 2745 C ASN B 73 30.020 -74.926 58.448 1.00 92.98 C +ATOM 2746 O ASN B 73 30.769 -75.588 59.167 1.00 94.66 O +ATOM 2747 CB ASN B 73 28.451 -76.893 58.556 1.00 92.81 C +ATOM 2748 CG ASN B 73 27.326 -77.667 57.877 1.00 91.39 C +ATOM 2749 OD1 ASN B 73 27.260 -77.736 56.651 1.00 91.36 O +ATOM 2750 ND2 ASN B 73 26.460 -78.283 58.675 1.00 91.80 N +ATOM 2751 H ASN B 73 28.849 -76.570 56.067 1.00 15.00 H +ATOM 2752 HD21 ASN B 73 25.700 -78.766 58.266 1.00 15.00 H +ATOM 2753 HD22 ASN B 73 26.570 -78.251 59.643 1.00 15.00 H +ATOM 2754 N ALA B 74 30.282 -73.673 58.090 1.00 92.36 N +ATOM 2755 CA ALA B 74 31.491 -72.971 58.498 1.00 89.83 C +ATOM 2756 C ALA B 74 31.239 -71.484 58.311 1.00 88.74 C +ATOM 2757 O ALA B 74 31.240 -70.716 59.271 1.00 90.53 O +ATOM 2758 CB ALA B 74 32.675 -73.419 57.642 1.00 87.29 C +ATOM 2759 H ALA B 74 29.614 -73.169 57.602 1.00 15.00 H +ATOM 2760 N LYS B 75 30.993 -71.088 57.067 1.00 86.49 N +ATOM 2761 CA LYS B 75 30.720 -69.693 56.759 1.00 85.42 C +ATOM 2762 C LYS B 75 29.275 -69.383 57.138 1.00 86.12 C +ATOM 2763 O LYS B 75 28.833 -68.238 57.039 1.00 92.03 O +ATOM 2764 CB LYS B 75 30.935 -69.420 55.269 1.00 81.74 C +ATOM 2765 CG LYS B 75 32.330 -69.730 54.758 1.00 83.35 C +ATOM 2766 CD LYS B 75 33.393 -68.899 55.449 1.00 87.99 C +ATOM 2767 CE LYS B 75 34.774 -69.297 54.958 1.00 90.83 C +ATOM 2768 NZ LYS B 75 35.859 -68.560 55.654 1.00 96.04 N +ATOM 2769 H LYS B 75 30.977 -71.740 56.343 1.00 15.00 H +ATOM 2770 HZ1 LYS B 75 35.785 -68.724 56.678 1.00 15.00 H +ATOM 2771 HZ2 LYS B 75 36.782 -68.900 55.314 1.00 15.00 H +ATOM 2772 HZ3 LYS B 75 35.766 -67.543 55.456 1.00 15.00 H +ATOM 2773 N ASN B 76 28.554 -70.412 57.585 1.00 82.10 N +ATOM 2774 CA ASN B 76 27.149 -70.293 57.979 1.00 77.06 C +ATOM 2775 C ASN B 76 26.331 -69.858 56.770 1.00 72.68 C +ATOM 2776 O ASN B 76 25.559 -68.906 56.846 1.00 72.13 O +ATOM 2777 CB ASN B 76 26.970 -69.273 59.122 1.00 75.74 C +ATOM 2778 CG ASN B 76 27.548 -69.751 60.452 1.00 75.49 C +ATOM 2779 OD1 ASN B 76 27.925 -70.917 60.610 1.00 75.21 O +ATOM 2780 ND2 ASN B 76 27.615 -68.843 61.419 1.00 67.59 N +ATOM 2781 H ASN B 76 28.958 -71.288 57.666 1.00 15.00 H +ATOM 2782 HD21 ASN B 76 27.971 -69.114 62.286 1.00 15.00 H +ATOM 2783 HD22 ASN B 76 27.294 -67.946 61.189 1.00 15.00 H +ATOM 2784 N THR B 77 26.497 -70.557 55.652 1.00 69.34 N +ATOM 2785 CA THR B 77 25.778 -70.195 54.439 1.00 66.27 C +ATOM 2786 C THR B 77 25.064 -71.333 53.734 1.00 63.04 C +ATOM 2787 O THR B 77 25.643 -72.403 53.512 1.00 66.63 O +ATOM 2788 CB THR B 77 26.712 -69.550 53.391 1.00 67.50 C +ATOM 2789 OG1 THR B 77 27.782 -70.455 53.081 1.00 69.06 O +ATOM 2790 CG2 THR B 77 27.277 -68.227 53.898 1.00 69.04 C +ATOM 2791 H THR B 77 27.110 -71.313 55.612 1.00 15.00 H +ATOM 2792 HG1 THR B 77 27.415 -71.266 52.709 1.00 15.00 H +ATOM 2793 N LEU B 78 23.801 -71.092 53.394 1.00 54.83 N +ATOM 2794 CA LEU B 78 22.997 -72.048 52.654 1.00 42.38 C +ATOM 2795 C LEU B 78 23.104 -71.529 51.217 1.00 39.71 C +ATOM 2796 O LEU B 78 23.203 -70.315 50.997 1.00 29.57 O +ATOM 2797 CB LEU B 78 21.546 -72.012 53.133 1.00 35.05 C +ATOM 2798 CG LEU B 78 20.657 -73.033 52.432 1.00 32.94 C +ATOM 2799 CD1 LEU B 78 21.040 -74.432 52.871 1.00 31.50 C +ATOM 2800 CD2 LEU B 78 19.212 -72.747 52.733 1.00 35.72 C +ATOM 2801 H LEU B 78 23.389 -70.251 53.651 1.00 15.00 H +ATOM 2802 N TYR B 79 23.121 -72.432 50.247 1.00 35.73 N +ATOM 2803 CA TYR B 79 23.246 -72.033 48.852 1.00 35.94 C +ATOM 2804 C TYR B 79 22.218 -72.723 47.970 1.00 37.38 C +ATOM 2805 O TYR B 79 21.648 -73.757 48.342 1.00 35.17 O +ATOM 2806 CB TYR B 79 24.627 -72.425 48.304 1.00 43.37 C +ATOM 2807 CG TYR B 79 25.832 -71.627 48.768 1.00 48.48 C +ATOM 2808 CD1 TYR B 79 25.714 -70.305 49.182 1.00 54.69 C +ATOM 2809 CD2 TYR B 79 27.114 -72.188 48.723 1.00 48.14 C +ATOM 2810 CE1 TYR B 79 26.844 -69.554 49.534 1.00 56.42 C +ATOM 2811 CE2 TYR B 79 28.247 -71.446 49.073 1.00 48.37 C +ATOM 2812 CZ TYR B 79 28.102 -70.130 49.475 1.00 52.03 C +ATOM 2813 OH TYR B 79 29.207 -69.380 49.811 1.00 57.26 O +ATOM 2814 H TYR B 79 23.019 -73.383 50.451 1.00 15.00 H +ATOM 2815 HH TYR B 79 28.935 -68.493 50.053 1.00 15.00 H +ATOM 2816 N LEU B 80 22.021 -72.162 46.781 1.00 36.71 N +ATOM 2817 CA LEU B 80 21.118 -72.725 45.780 1.00 32.80 C +ATOM 2818 C LEU B 80 21.823 -72.585 44.436 1.00 25.43 C +ATOM 2819 O LEU B 80 22.244 -71.500 44.054 1.00 22.75 O +ATOM 2820 CB LEU B 80 19.767 -71.996 45.732 1.00 34.14 C +ATOM 2821 CG LEU B 80 18.764 -72.642 44.758 1.00 33.07 C +ATOM 2822 CD1 LEU B 80 18.393 -74.032 45.261 1.00 32.59 C +ATOM 2823 CD2 LEU B 80 17.518 -71.791 44.579 1.00 16.97 C +ATOM 2824 H LEU B 80 22.505 -71.338 46.561 1.00 15.00 H +ATOM 2825 N GLN B 81 21.990 -73.698 43.743 1.00 28.03 N +ATOM 2826 CA GLN B 81 22.639 -73.694 42.455 1.00 29.69 C +ATOM 2827 C GLN B 81 21.559 -73.907 41.420 1.00 40.42 C +ATOM 2828 O GLN B 81 21.082 -75.031 41.208 1.00 45.83 O +ATOM 2829 CB GLN B 81 23.674 -74.802 42.391 1.00 37.40 C +ATOM 2830 CG GLN B 81 25.075 -74.314 42.099 1.00 49.73 C +ATOM 2831 CD GLN B 81 25.297 -74.063 40.629 1.00 55.96 C +ATOM 2832 OE1 GLN B 81 25.713 -74.961 39.893 1.00 66.88 O +ATOM 2833 NE2 GLN B 81 25.024 -72.845 40.187 1.00 51.46 N +ATOM 2834 H GLN B 81 21.644 -74.531 44.101 1.00 15.00 H +ATOM 2835 HE21 GLN B 81 25.148 -72.705 39.227 1.00 15.00 H +ATOM 2836 HE22 GLN B 81 24.709 -72.168 40.817 1.00 15.00 H +ATOM 2837 N MET B 82 21.118 -72.798 40.843 1.00 38.23 N +ATOM 2838 CA MET B 82 20.083 -72.809 39.828 1.00 34.40 C +ATOM 2839 C MET B 82 20.756 -72.888 38.464 1.00 32.17 C +ATOM 2840 O MET B 82 21.710 -72.158 38.195 1.00 32.01 O +ATOM 2841 CB MET B 82 19.255 -71.532 39.941 1.00 37.17 C +ATOM 2842 CG MET B 82 18.901 -71.183 41.371 1.00 37.00 C +ATOM 2843 SD MET B 82 18.084 -69.605 41.525 1.00 37.83 S +ATOM 2844 CE MET B 82 16.389 -70.123 41.214 1.00 28.39 C +ATOM 2845 H MET B 82 21.522 -71.933 41.070 1.00 15.00 H +ATOM 2846 N SER B 82A 20.269 -73.783 37.616 1.00 33.43 N +ATOM 2847 CA SER B 82A 20.829 -73.966 36.281 1.00 40.94 C +ATOM 2848 C SER B 82A 19.732 -74.184 35.246 1.00 41.13 C +ATOM 2849 O SER B 82A 18.589 -74.467 35.598 1.00 42.10 O +ATOM 2850 CB SER B 82A 21.771 -75.175 36.266 1.00 39.45 C +ATOM 2851 OG SER B 82A 22.827 -75.014 37.196 1.00 53.99 O +ATOM 2852 H SER B 82A 19.523 -74.367 37.868 1.00 15.00 H +ATOM 2853 HG SER B 82A 22.478 -75.020 38.094 1.00 15.00 H +ATOM 2854 N ARG B 82B 20.092 -74.039 33.973 1.00 41.36 N +ATOM 2855 CA ARG B 82B 19.163 -74.240 32.868 1.00 43.68 C +ATOM 2856 C ARG B 82B 17.798 -73.621 33.209 1.00 32.64 C +ATOM 2857 O ARG B 82B 16.772 -74.280 33.111 1.00 23.32 O +ATOM 2858 CB ARG B 82B 19.043 -75.749 32.600 1.00 58.59 C +ATOM 2859 CG ARG B 82B 18.853 -76.149 31.142 1.00 82.67 C +ATOM 2860 CD ARG B 82B 17.522 -75.658 30.588 1.00104.72 C +ATOM 2861 NE ARG B 82B 17.257 -76.153 29.239 1.00122.68 N +ATOM 2862 CZ ARG B 82B 16.647 -75.450 28.287 1.00131.52 C +ATOM 2863 NH1 ARG B 82B 16.236 -74.207 28.524 1.00136.09 N +ATOM 2864 NH2 ARG B 82B 16.429 -75.998 27.098 1.00135.34 N +ATOM 2865 H ARG B 82B 21.008 -73.761 33.771 1.00 15.00 H +ATOM 2866 HE ARG B 82B 17.549 -77.063 29.023 1.00 15.00 H +ATOM 2867 HH11 ARG B 82B 16.378 -73.780 29.418 1.00 15.00 H +ATOM 2868 HH12 ARG B 82B 15.781 -73.696 27.795 1.00 15.00 H +ATOM 2869 HH21 ARG B 82B 16.720 -76.937 26.923 1.00 15.00 H +ATOM 2870 HH22 ARG B 82B 15.970 -75.474 26.381 1.00 15.00 H +ATOM 2871 N LEU B 82C 17.807 -72.350 33.605 1.00 29.81 N +ATOM 2872 CA LEU B 82C 16.588 -71.636 33.997 1.00 25.97 C +ATOM 2873 C LEU B 82C 15.463 -71.519 32.976 1.00 25.32 C +ATOM 2874 O LEU B 82C 15.695 -71.447 31.773 1.00 26.44 O +ATOM 2875 CB LEU B 82C 16.946 -70.249 34.539 1.00 21.62 C +ATOM 2876 CG LEU B 82C 17.612 -70.333 35.921 1.00 31.24 C +ATOM 2877 CD1 LEU B 82C 18.217 -69.020 36.379 1.00 8.01 C +ATOM 2878 CD2 LEU B 82C 16.575 -70.810 36.918 1.00 32.23 C +ATOM 2879 H LEU B 82C 18.671 -71.883 33.636 1.00 15.00 H +ATOM 2880 N LYS B 83 14.234 -71.549 33.482 1.00 32.13 N +ATOM 2881 CA LYS B 83 13.014 -71.424 32.680 1.00 28.75 C +ATOM 2882 C LYS B 83 12.282 -70.212 33.232 1.00 23.65 C +ATOM 2883 O LYS B 83 12.539 -69.797 34.354 1.00 27.76 O +ATOM 2884 CB LYS B 83 12.090 -72.635 32.854 1.00 37.55 C +ATOM 2885 CG LYS B 83 12.611 -73.955 32.344 1.00 39.82 C +ATOM 2886 CD LYS B 83 11.510 -74.999 32.420 1.00 41.76 C +ATOM 2887 CE LYS B 83 11.985 -76.341 31.899 1.00 49.80 C +ATOM 2888 NZ LYS B 83 10.872 -77.324 31.838 1.00 55.40 N +ATOM 2889 H LYS B 83 14.147 -71.640 34.446 1.00 15.00 H +ATOM 2890 HZ1 LYS B 83 10.462 -77.438 32.786 1.00 15.00 H +ATOM 2891 HZ2 LYS B 83 10.143 -76.976 31.182 1.00 15.00 H +ATOM 2892 HZ3 LYS B 83 11.235 -78.236 31.500 1.00 15.00 H +ATOM 2893 N SER B 84 11.313 -69.707 32.478 1.00 26.00 N +ATOM 2894 CA SER B 84 10.536 -68.539 32.877 1.00 21.31 C +ATOM 2895 C SER B 84 9.855 -68.766 34.224 1.00 18.62 C +ATOM 2896 O SER B 84 9.924 -67.927 35.120 1.00 17.96 O +ATOM 2897 CB SER B 84 9.492 -68.232 31.806 1.00 33.78 C +ATOM 2898 OG SER B 84 8.571 -67.251 32.244 1.00 47.03 O +ATOM 2899 H SER B 84 11.125 -70.124 31.613 1.00 15.00 H +ATOM 2900 HG SER B 84 7.979 -67.004 31.530 1.00 15.00 H +ATOM 2901 N GLU B 85 9.219 -69.926 34.340 1.00 15.18 N +ATOM 2902 CA GLU B 85 8.495 -70.372 35.522 1.00 10.53 C +ATOM 2903 C GLU B 85 9.204 -70.057 36.844 1.00 18.72 C +ATOM 2904 O GLU B 85 8.558 -69.713 37.841 1.00 22.84 O +ATOM 2905 CB GLU B 85 8.283 -71.878 35.411 1.00 19.38 C +ATOM 2906 CG GLU B 85 7.924 -72.359 34.014 1.00 29.16 C +ATOM 2907 CD GLU B 85 7.797 -73.878 33.908 1.00 50.84 C +ATOM 2908 OE1 GLU B 85 8.074 -74.592 34.904 1.00 46.58 O +ATOM 2909 OE2 GLU B 85 7.418 -74.357 32.811 1.00 60.57 O +ATOM 2910 H GLU B 85 9.252 -70.493 33.550 1.00 15.00 H +ATOM 2911 N ASP B 86 10.532 -70.161 36.832 1.00 17.68 N +ATOM 2912 CA ASP B 86 11.370 -69.912 38.004 1.00 14.42 C +ATOM 2913 C ASP B 86 11.433 -68.482 38.464 1.00 15.02 C +ATOM 2914 O ASP B 86 12.056 -68.187 39.477 1.00 33.28 O +ATOM 2915 CB ASP B 86 12.776 -70.403 37.739 1.00 2.00 C +ATOM 2916 CG ASP B 86 12.787 -71.822 37.289 1.00 16.27 C +ATOM 2917 OD1 ASP B 86 11.922 -72.598 37.775 1.00 21.76 O +ATOM 2918 OD2 ASP B 86 13.635 -72.159 36.437 1.00 23.58 O +ATOM 2919 H ASP B 86 10.980 -70.375 35.993 1.00 15.00 H +ATOM 2920 N THR B 87 10.846 -67.582 37.699 1.00 16.49 N +ATOM 2921 CA THR B 87 10.840 -66.187 38.074 1.00 21.39 C +ATOM 2922 C THR B 87 10.029 -66.099 39.361 1.00 21.48 C +ATOM 2923 O THR B 87 8.851 -66.495 39.385 1.00 27.02 O +ATOM 2924 CB THR B 87 10.205 -65.328 36.966 1.00 15.49 C +ATOM 2925 OG1 THR B 87 11.038 -65.384 35.810 1.00 17.30 O +ATOM 2926 CG2 THR B 87 10.086 -63.892 37.397 1.00 4.32 C +ATOM 2927 H THR B 87 10.374 -67.849 36.897 1.00 15.00 H +ATOM 2928 HG1 THR B 87 10.636 -66.049 35.224 1.00 15.00 H +ATOM 2929 N ALA B 88 10.691 -65.668 40.437 1.00 14.29 N +ATOM 2930 CA ALA B 88 10.052 -65.521 41.744 1.00 17.96 C +ATOM 2931 C ALA B 88 10.991 -64.941 42.796 1.00 18.12 C +ATOM 2932 O ALA B 88 12.159 -64.685 42.530 1.00 24.82 O +ATOM 2933 CB ALA B 88 9.517 -66.863 42.222 1.00 18.70 C +ATOM 2934 H ALA B 88 11.647 -65.447 40.362 1.00 15.00 H +ATOM 2935 N MET B 89 10.442 -64.696 43.978 1.00 20.51 N +ATOM 2936 CA MET B 89 11.180 -64.182 45.130 1.00 20.68 C +ATOM 2937 C MET B 89 11.766 -65.417 45.840 1.00 22.49 C +ATOM 2938 O MET B 89 11.091 -66.442 45.962 1.00 27.31 O +ATOM 2939 CB MET B 89 10.191 -63.457 46.052 1.00 7.33 C +ATOM 2940 CG MET B 89 10.794 -62.897 47.291 1.00 2.00 C +ATOM 2941 SD MET B 89 12.039 -61.704 46.906 1.00 23.44 S +ATOM 2942 CE MET B 89 11.556 -60.354 48.031 1.00 2.00 C +ATOM 2943 H MET B 89 9.495 -64.858 44.073 1.00 15.00 H +ATOM 2944 N TYR B 90 13.013 -65.355 46.282 1.00 20.67 N +ATOM 2945 CA TYR B 90 13.594 -66.519 46.944 1.00 21.32 C +ATOM 2946 C TYR B 90 14.001 -66.261 48.376 1.00 27.26 C +ATOM 2947 O TYR B 90 14.670 -65.269 48.675 1.00 23.88 O +ATOM 2948 CB TYR B 90 14.784 -67.069 46.148 1.00 13.43 C +ATOM 2949 CG TYR B 90 14.358 -67.802 44.898 1.00 19.45 C +ATOM 2950 CD1 TYR B 90 14.156 -67.129 43.701 1.00 16.85 C +ATOM 2951 CD2 TYR B 90 14.103 -69.169 44.926 1.00 29.34 C +ATOM 2952 CE1 TYR B 90 13.698 -67.802 42.557 1.00 20.99 C +ATOM 2953 CE2 TYR B 90 13.651 -69.850 43.791 1.00 29.06 C +ATOM 2954 CZ TYR B 90 13.448 -69.160 42.615 1.00 26.73 C +ATOM 2955 OH TYR B 90 12.971 -69.839 41.516 1.00 22.95 O +ATOM 2956 H TYR B 90 13.564 -64.556 46.145 1.00 15.00 H +ATOM 2957 HH TYR B 90 12.819 -69.190 40.820 1.00 15.00 H +ATOM 2958 N TYR B 91 13.558 -67.140 49.269 1.00 29.55 N +ATOM 2959 CA TYR B 91 13.894 -67.028 50.682 1.00 23.38 C +ATOM 2960 C TYR B 91 14.403 -68.366 51.166 1.00 22.06 C +ATOM 2961 O TYR B 91 13.964 -69.413 50.692 1.00 25.46 O +ATOM 2962 CB TYR B 91 12.676 -66.721 51.549 1.00 13.57 C +ATOM 2963 CG TYR B 91 11.747 -65.616 51.112 1.00 11.22 C +ATOM 2964 CD1 TYR B 91 10.752 -65.856 50.165 1.00 6.14 C +ATOM 2965 CD2 TYR B 91 11.749 -64.380 51.763 1.00 12.88 C +ATOM 2966 CE1 TYR B 91 9.769 -64.906 49.887 1.00 4.66 C +ATOM 2967 CE2 TYR B 91 10.767 -63.414 51.486 1.00 17.22 C +ATOM 2968 CZ TYR B 91 9.777 -63.691 50.548 1.00 9.16 C +ATOM 2969 OH TYR B 91 8.787 -62.766 50.273 1.00 28.16 O +ATOM 2970 H TYR B 91 13.008 -67.897 48.983 1.00 15.00 H +ATOM 2971 HH TYR B 91 8.166 -63.097 49.611 1.00 15.00 H +ATOM 2972 N CYS B 92 15.338 -68.328 52.105 1.00 30.12 N +ATOM 2973 CA CYS B 92 15.855 -69.542 52.704 1.00 28.81 C +ATOM 2974 C CYS B 92 15.167 -69.556 54.042 1.00 27.68 C +ATOM 2975 O CYS B 92 14.943 -68.500 54.643 1.00 36.48 O +ATOM 2976 CB CYS B 92 17.367 -69.477 52.868 1.00 35.99 C +ATOM 2977 SG CYS B 92 18.044 -67.918 53.520 1.00 36.06 S +ATOM 2978 H CYS B 92 15.684 -67.480 52.434 1.00 15.00 H +ATOM 2979 N ALA B 93 14.750 -70.726 54.479 1.00 24.84 N +ATOM 2980 CA ALA B 93 14.058 -70.805 55.739 1.00 31.99 C +ATOM 2981 C ALA B 93 14.650 -71.906 56.573 1.00 36.69 C +ATOM 2982 O ALA B 93 15.295 -72.818 56.048 1.00 41.70 O +ATOM 2983 CB ALA B 93 12.590 -71.050 55.506 1.00 37.97 C +ATOM 2984 H ALA B 93 14.928 -71.555 54.001 1.00 15.00 H +ATOM 2985 N ARG B 94 14.417 -71.823 57.876 1.00 35.86 N +ATOM 2986 CA ARG B 94 14.929 -72.803 58.814 1.00 34.75 C +ATOM 2987 C ARG B 94 13.809 -73.696 59.304 1.00 33.06 C +ATOM 2988 O ARG B 94 12.677 -73.237 59.469 1.00 36.15 O +ATOM 2989 CB ARG B 94 15.572 -72.093 60.004 1.00 41.41 C +ATOM 2990 CG ARG B 94 16.165 -73.033 61.037 1.00 49.28 C +ATOM 2991 CD ARG B 94 16.778 -72.283 62.205 1.00 46.94 C +ATOM 2992 NE ARG B 94 15.772 -71.650 63.050 1.00 41.05 N +ATOM 2993 CZ ARG B 94 15.870 -71.545 64.369 1.00 43.91 C +ATOM 2994 NH1 ARG B 94 16.925 -72.034 65.000 1.00 39.58 N +ATOM 2995 NH2 ARG B 94 14.915 -70.948 65.062 1.00 45.48 N +ATOM 2996 H ARG B 94 13.867 -71.086 58.202 1.00 15.00 H +ATOM 2997 HE ARG B 94 14.975 -71.275 62.624 1.00 15.00 H +ATOM 2998 HH11 ARG B 94 17.650 -72.477 64.474 1.00 15.00 H +ATOM 2999 HH12 ARG B 94 17.001 -71.964 65.995 1.00 15.00 H +ATOM 3000 HH21 ARG B 94 14.123 -70.568 64.585 1.00 15.00 H +ATOM 3001 HH22 ARG B 94 14.986 -70.869 66.056 1.00 15.00 H +ATOM 3002 N HIS B 95 14.129 -74.968 59.530 1.00 34.61 N +ATOM 3003 CA HIS B 95 13.168 -75.946 60.028 1.00 28.09 C +ATOM 3004 C HIS B 95 13.246 -75.960 61.538 1.00 32.91 C +ATOM 3005 O HIS B 95 13.981 -76.757 62.118 1.00 44.94 O +ATOM 3006 CB HIS B 95 13.504 -77.339 59.508 1.00 22.20 C +ATOM 3007 CG HIS B 95 12.643 -78.423 60.083 1.00 26.73 C +ATOM 3008 ND1 HIS B 95 13.055 -79.736 60.172 1.00 28.93 N +ATOM 3009 CD2 HIS B 95 11.389 -78.390 60.597 1.00 24.31 C +ATOM 3010 CE1 HIS B 95 12.095 -80.466 60.711 1.00 21.73 C +ATOM 3011 NE2 HIS B 95 11.075 -79.671 60.977 1.00 18.85 N +ATOM 3012 H HIS B 95 15.050 -75.256 59.347 1.00 15.00 H +ATOM 3013 HD1 HIS B 95 13.928 -80.074 59.891 1.00 15.00 H +ATOM 3014 HE2 HIS B 95 10.298 -79.949 61.481 1.00 15.00 H +ATOM 3015 N GLY B 96 12.468 -75.109 62.183 1.00 31.57 N +ATOM 3016 CA GLY B 96 12.517 -75.067 63.628 1.00 44.13 C +ATOM 3017 C GLY B 96 11.428 -75.886 64.274 1.00 50.05 C +ATOM 3018 O GLY B 96 10.649 -75.366 65.081 1.00 56.46 O +ATOM 3019 H GLY B 96 11.855 -74.527 61.684 1.00 15.00 H +ATOM 3020 N GLY B 97 11.354 -77.164 63.929 1.00 43.89 N +ATOM 3021 CA GLY B 97 10.318 -77.975 64.526 1.00 51.80 C +ATOM 3022 C GLY B 97 9.961 -79.199 63.733 1.00 51.90 C +ATOM 3023 O GLY B 97 10.837 -79.914 63.266 1.00 54.51 O +ATOM 3024 H GLY B 97 12.027 -77.556 63.339 1.00 15.00 H +ATOM 3025 N TYR B 100H 8.670 -79.454 63.591 1.00 57.11 N +ATOM 3026 CA TYR B 100H 8.207 -80.613 62.847 1.00 61.99 C +ATOM 3027 C TYR B 100H 7.675 -80.073 61.531 1.00 63.76 C +ATOM 3028 O TYR B 100H 6.558 -79.564 61.471 1.00 69.07 O +ATOM 3029 CB TYR B 100H 7.099 -81.332 63.618 1.00 65.28 C +ATOM 3030 CG TYR B 100H 7.281 -81.324 65.122 1.00 70.93 C +ATOM 3031 CD1 TYR B 100H 6.767 -80.280 65.895 1.00 70.66 C +ATOM 3032 CD2 TYR B 100H 7.950 -82.365 65.776 1.00 68.14 C +ATOM 3033 CE1 TYR B 100H 6.911 -80.271 67.278 1.00 73.87 C +ATOM 3034 CE2 TYR B 100H 8.099 -82.364 67.162 1.00 70.71 C +ATOM 3035 CZ TYR B 100H 7.575 -81.313 67.906 1.00 74.29 C +ATOM 3036 OH TYR B 100H 7.704 -81.295 69.278 1.00 79.49 O +ATOM 3037 H TYR B 100H 7.998 -78.846 63.973 1.00 15.00 H +ATOM 3038 HH TYR B 100H 8.072 -82.131 69.578 1.00 15.00 H +ATOM 3039 N TYR B 100I 8.503 -80.153 60.494 1.00 58.42 N +ATOM 3040 CA TYR B 100I 8.162 -79.648 59.166 1.00 50.63 C +ATOM 3041 C TYR B 100I 7.428 -78.298 59.160 1.00 39.03 C +ATOM 3042 O TYR B 100I 6.247 -78.200 58.822 1.00 40.00 O +ATOM 3043 CB TYR B 100I 7.404 -80.712 58.372 1.00 61.86 C +ATOM 3044 CG TYR B 100I 8.290 -81.823 57.842 1.00 70.85 C +ATOM 3045 CD1 TYR B 100I 9.512 -82.121 58.448 1.00 78.90 C +ATOM 3046 CD2 TYR B 100I 7.906 -82.575 56.725 1.00 73.08 C +ATOM 3047 CE1 TYR B 100I 10.329 -83.137 57.956 1.00 88.91 C +ATOM 3048 CE2 TYR B 100I 8.710 -83.592 56.225 1.00 75.70 C +ATOM 3049 CZ TYR B 100I 9.921 -83.871 56.843 1.00 86.43 C +ATOM 3050 OH TYR B 100I 10.728 -84.881 56.356 1.00 92.11 O +ATOM 3051 H TYR B 100I 9.309 -80.678 60.580 1.00 15.00 H +ATOM 3052 HH TYR B 100I 11.463 -85.017 56.965 1.00 15.00 H +ATOM 3053 N ALA B 100J 8.156 -77.262 59.551 1.00 21.79 N +ATOM 3054 CA ALA B 100J 7.630 -75.913 59.595 1.00 17.65 C +ATOM 3055 C ALA B 100J 8.816 -74.962 59.476 1.00 24.38 C +ATOM 3056 O ALA B 100J 9.894 -75.247 60.008 1.00 43.19 O +ATOM 3057 CB ALA B 100J 6.911 -75.691 60.887 1.00 6.25 C +ATOM 3058 H ALA B 100J 9.093 -77.362 59.792 1.00 15.00 H +ATOM 3059 N MET B 100K 8.640 -73.868 58.746 1.00 17.36 N +ATOM 3060 CA MET B 100K 9.698 -72.880 58.555 1.00 13.44 C +ATOM 3061 C MET B 100K 9.503 -71.904 59.700 1.00 17.25 C +ATOM 3062 O MET B 100K 8.465 -71.246 59.773 1.00 24.93 O +ATOM 3063 CB MET B 100K 9.486 -72.114 57.241 1.00 24.15 C +ATOM 3064 CG MET B 100K 8.823 -72.886 56.095 1.00 21.49 C +ATOM 3065 SD MET B 100K 9.994 -73.656 54.962 1.00 39.80 S +ATOM 3066 CE MET B 100K 8.942 -74.844 54.163 1.00 27.86 C +ATOM 3067 H MET B 100K 7.758 -73.693 58.361 1.00 15.00 H +ATOM 3068 N ASP B 101 10.470 -71.783 60.597 1.00 19.94 N +ATOM 3069 CA ASP B 101 10.269 -70.866 61.711 1.00 31.05 C +ATOM 3070 C ASP B 101 10.887 -69.504 61.520 1.00 37.10 C +ATOM 3071 O ASP B 101 10.395 -68.511 62.066 1.00 42.08 O +ATOM 3072 CB ASP B 101 10.663 -71.493 63.065 1.00 47.35 C +ATOM 3073 CG ASP B 101 12.162 -71.756 63.216 1.00 48.78 C +ATOM 3074 OD1 ASP B 101 12.871 -71.970 62.208 1.00 54.70 O +ATOM 3075 OD2 ASP B 101 12.617 -71.792 64.382 1.00 51.90 O +ATOM 3076 H ASP B 101 11.286 -72.307 60.495 1.00 15.00 H +ATOM 3077 N TYR B 102 11.966 -69.467 60.742 1.00 43.93 N +ATOM 3078 CA TYR B 102 12.667 -68.231 60.424 1.00 43.05 C +ATOM 3079 C TYR B 102 13.017 -68.234 58.938 1.00 41.78 C +ATOM 3080 O TYR B 102 13.454 -69.252 58.386 1.00 33.82 O +ATOM 3081 CB TYR B 102 13.902 -68.053 61.310 1.00 47.05 C +ATOM 3082 CG TYR B 102 13.569 -67.519 62.692 1.00 55.40 C +ATOM 3083 CD1 TYR B 102 13.051 -66.235 62.855 1.00 62.99 C +ATOM 3084 CD2 TYR B 102 13.752 -68.299 63.832 1.00 61.25 C +ATOM 3085 CE1 TYR B 102 12.721 -65.738 64.121 1.00 65.64 C +ATOM 3086 CE2 TYR B 102 13.424 -67.812 65.103 1.00 67.03 C +ATOM 3087 CZ TYR B 102 12.911 -66.529 65.237 1.00 66.29 C +ATOM 3088 OH TYR B 102 12.606 -66.030 66.484 1.00 71.32 O +ATOM 3089 H TYR B 102 12.295 -70.298 60.348 1.00 15.00 H +ATOM 3090 HH TYR B 102 12.356 -65.105 66.398 1.00 15.00 H +ATOM 3091 N TRP B 103 12.731 -67.109 58.288 1.00 37.95 N +ATOM 3092 CA TRP B 103 12.970 -66.933 56.864 1.00 29.01 C +ATOM 3093 C TRP B 103 13.911 -65.770 56.679 1.00 31.19 C +ATOM 3094 O TRP B 103 14.045 -64.920 57.559 1.00 34.59 O +ATOM 3095 CB TRP B 103 11.681 -66.534 56.174 1.00 29.25 C +ATOM 3096 CG TRP B 103 10.513 -67.366 56.484 1.00 23.80 C +ATOM 3097 CD1 TRP B 103 9.954 -67.576 57.703 1.00 22.30 C +ATOM 3098 CD2 TRP B 103 9.711 -68.073 55.542 1.00 25.12 C +ATOM 3099 NE1 TRP B 103 8.847 -68.373 57.581 1.00 29.82 N +ATOM 3100 CE2 TRP B 103 8.673 -68.691 56.261 1.00 25.48 C +ATOM 3101 CE3 TRP B 103 9.767 -68.240 54.151 1.00 25.69 C +ATOM 3102 CZ2 TRP B 103 7.693 -69.466 55.641 1.00 21.22 C +ATOM 3103 CZ3 TRP B 103 8.793 -69.012 53.531 1.00 21.59 C +ATOM 3104 CH2 TRP B 103 7.771 -69.614 54.275 1.00 6.77 C +ATOM 3105 H TRP B 103 12.381 -66.334 58.774 1.00 15.00 H +ATOM 3106 HE1 TRP B 103 8.293 -68.692 58.326 1.00 15.00 H +ATOM 3107 N GLY B 104 14.536 -65.707 55.515 1.00 34.09 N +ATOM 3108 CA GLY B 104 15.425 -64.598 55.246 1.00 43.41 C +ATOM 3109 C GLY B 104 14.619 -63.445 54.684 1.00 47.14 C +ATOM 3110 O GLY B 104 13.396 -63.535 54.592 1.00 47.24 O +ATOM 3111 H GLY B 104 14.393 -66.412 54.854 1.00 15.00 H +ATOM 3112 N GLN B 105 15.294 -62.370 54.290 1.00 50.69 N +ATOM 3113 CA GLN B 105 14.607 -61.213 53.717 1.00 54.29 C +ATOM 3114 C GLN B 105 14.039 -61.497 52.327 1.00 47.19 C +ATOM 3115 O GLN B 105 12.956 -61.026 51.992 1.00 37.82 O +ATOM 3116 CB GLN B 105 15.535 -59.994 53.677 1.00 71.32 C +ATOM 3117 CG GLN B 105 15.716 -59.305 55.029 1.00 93.20 C +ATOM 3118 CD GLN B 105 14.410 -58.753 55.606 1.00104.00 C +ATOM 3119 OE1 GLN B 105 13.749 -59.404 56.420 1.00110.38 O +ATOM 3120 NE2 GLN B 105 14.047 -57.539 55.200 1.00106.34 N +ATOM 3121 H GLN B 105 16.256 -62.343 54.454 1.00 15.00 H +ATOM 3122 HE21 GLN B 105 13.205 -57.195 55.567 1.00 15.00 H +ATOM 3123 HE22 GLN B 105 14.619 -57.059 54.572 1.00 15.00 H +ATOM 3124 N GLY B 106 14.798 -62.234 51.519 1.00 45.91 N +ATOM 3125 CA GLY B 106 14.368 -62.591 50.178 1.00 40.47 C +ATOM 3126 C GLY B 106 15.132 -61.866 49.089 1.00 41.13 C +ATOM 3127 O GLY B 106 15.669 -60.783 49.336 1.00 43.46 O +ATOM 3128 H GLY B 106 15.688 -62.464 51.791 1.00 15.00 H +ATOM 3129 N THR B 107 15.237 -62.486 47.909 1.00 39.16 N +ATOM 3130 CA THR B 107 15.923 -61.885 46.755 1.00 31.59 C +ATOM 3131 C THR B 107 15.198 -62.206 45.451 1.00 36.95 C +ATOM 3132 O THR B 107 14.964 -63.379 45.133 1.00 38.53 O +ATOM 3133 CB THR B 107 17.379 -62.339 46.627 1.00 13.70 C +ATOM 3134 OG1 THR B 107 17.433 -63.751 46.405 1.00 15.19 O +ATOM 3135 CG2 THR B 107 18.133 -62.002 47.870 1.00 19.22 C +ATOM 3136 H THR B 107 14.894 -63.399 47.813 1.00 15.00 H +ATOM 3137 HG1 THR B 107 17.051 -63.934 45.539 1.00 15.00 H +ATOM 3138 N THR B 108 14.834 -61.163 44.705 1.00 34.08 N +ATOM 3139 CA THR B 108 14.117 -61.346 43.454 1.00 23.53 C +ATOM 3140 C THR B 108 15.000 -61.933 42.369 1.00 18.28 C +ATOM 3141 O THR B 108 16.211 -61.722 42.344 1.00 24.27 O +ATOM 3142 CB THR B 108 13.460 -60.027 42.947 1.00 25.49 C +ATOM 3143 OG1 THR B 108 12.550 -60.313 41.869 1.00 27.56 O +ATOM 3144 CG2 THR B 108 14.519 -59.042 42.462 1.00 39.89 C +ATOM 3145 H THR B 108 15.085 -60.261 44.979 1.00 15.00 H +ATOM 3146 HG1 THR B 108 13.039 -60.560 41.077 1.00 15.00 H +ATOM 3147 N VAL B 109 14.376 -62.715 41.506 1.00 10.05 N +ATOM 3148 CA VAL B 109 15.046 -63.317 40.389 1.00 20.07 C +ATOM 3149 C VAL B 109 13.983 -63.362 39.323 1.00 30.15 C +ATOM 3150 O VAL B 109 12.884 -63.887 39.543 1.00 32.61 O +ATOM 3151 CB VAL B 109 15.565 -64.738 40.702 1.00 21.07 C +ATOM 3152 CG1 VAL B 109 15.453 -65.625 39.463 1.00 11.35 C +ATOM 3153 CG2 VAL B 109 17.031 -64.675 41.168 1.00 2.00 C +ATOM 3154 H VAL B 109 13.426 -62.938 41.634 1.00 15.00 H +ATOM 3155 N THR B 110 14.284 -62.727 38.199 1.00 34.78 N +ATOM 3156 CA THR B 110 13.375 -62.694 37.075 1.00 27.99 C +ATOM 3157 C THR B 110 14.167 -63.216 35.891 1.00 24.15 C +ATOM 3158 O THR B 110 15.272 -62.742 35.636 1.00 16.43 O +ATOM 3159 CB THR B 110 12.927 -61.255 36.788 1.00 13.34 C +ATOM 3160 OG1 THR B 110 14.063 -60.488 36.402 1.00 24.88 O +ATOM 3161 CG2 THR B 110 12.351 -60.618 38.044 1.00 20.41 C +ATOM 3162 H THR B 110 15.142 -62.258 38.092 1.00 15.00 H +ATOM 3163 HG1 THR B 110 14.550 -60.898 35.678 1.00 15.00 H +ATOM 3164 N VAL B 111 13.665 -64.259 35.243 1.00 27.11 N +ATOM 3165 CA VAL B 111 14.339 -64.798 34.064 1.00 31.11 C +ATOM 3166 C VAL B 111 13.580 -64.265 32.840 1.00 37.82 C +ATOM 3167 O VAL B 111 12.361 -64.442 32.713 1.00 30.94 O +ATOM 3168 CB VAL B 111 14.418 -66.347 34.069 1.00 24.80 C +ATOM 3169 CG1 VAL B 111 15.271 -66.808 35.210 1.00 28.75 C +ATOM 3170 CG2 VAL B 111 13.060 -66.955 34.191 1.00 21.26 C +ATOM 3171 H VAL B 111 12.808 -64.657 35.511 1.00 15.00 H +ATOM 3172 N SER B 112 14.292 -63.555 31.971 1.00 41.27 N +ATOM 3173 CA SER B 112 13.653 -62.971 30.814 1.00 37.89 C +ATOM 3174 C SER B 112 14.582 -62.731 29.651 1.00 41.45 C +ATOM 3175 O SER B 112 15.760 -62.429 29.834 1.00 38.78 O +ATOM 3176 CB SER B 112 13.019 -61.646 31.211 1.00 32.09 C +ATOM 3177 OG SER B 112 12.243 -61.133 30.147 1.00 45.88 O +ATOM 3178 H SER B 112 15.254 -63.420 32.115 1.00 15.00 H +ATOM 3179 HG SER B 112 11.849 -60.301 30.429 1.00 15.00 H +ATOM 3180 N SER B 113 14.025 -62.871 28.452 1.00 46.28 N +ATOM 3181 CA SER B 113 14.741 -62.642 27.200 1.00 51.74 C +ATOM 3182 C SER B 113 14.425 -61.233 26.673 1.00 48.44 C +ATOM 3183 O SER B 113 14.227 -61.011 25.473 1.00 53.97 O +ATOM 3184 CB SER B 113 14.374 -63.718 26.166 1.00 55.94 C +ATOM 3185 OG SER B 113 13.195 -64.423 26.533 1.00 62.71 O +ATOM 3186 H SER B 113 13.128 -63.190 28.360 1.00 15.00 H +ATOM 3187 HG SER B 113 12.974 -65.014 25.806 1.00 15.00 H +ATOM 3188 N ALA B 114 14.334 -60.289 27.596 1.00 40.04 N +ATOM 3189 CA ALA B 114 14.068 -58.915 27.249 1.00 41.82 C +ATOM 3190 C ALA B 114 15.275 -58.113 27.669 1.00 52.12 C +ATOM 3191 O ALA B 114 15.980 -58.472 28.607 1.00 62.77 O +ATOM 3192 CB ALA B 114 12.853 -58.426 27.952 1.00 34.35 C +ATOM 3193 H ALA B 114 14.501 -60.503 28.536 1.00 15.00 H +ATOM 3194 N LYS B 115 15.514 -57.028 26.955 1.00 63.90 N +ATOM 3195 CA LYS B 115 16.645 -56.163 27.231 1.00 67.06 C +ATOM 3196 C LYS B 115 16.218 -55.087 28.222 1.00 66.08 C +ATOM 3197 O LYS B 115 15.044 -54.727 28.292 1.00 65.19 O +ATOM 3198 CB LYS B 115 17.173 -55.551 25.922 1.00 77.18 C +ATOM 3199 CG LYS B 115 16.141 -55.458 24.771 1.00 88.97 C +ATOM 3200 CD LYS B 115 15.981 -56.791 24.015 1.00 94.80 C +ATOM 3201 CE LYS B 115 14.715 -56.828 23.149 1.00 96.21 C +ATOM 3202 NZ LYS B 115 14.693 -55.788 22.080 1.00 94.89 N +ATOM 3203 H LYS B 115 14.851 -56.788 26.281 1.00 15.00 H +ATOM 3204 HZ1 LYS B 115 15.546 -55.891 21.492 1.00 15.00 H +ATOM 3205 HZ2 LYS B 115 13.849 -55.906 21.485 1.00 15.00 H +ATOM 3206 HZ3 LYS B 115 14.688 -54.844 22.516 1.00 15.00 H +ATOM 3207 N THR B 116 17.171 -54.615 29.013 1.00 63.82 N +ATOM 3208 CA THR B 116 16.921 -53.583 30.013 1.00 60.14 C +ATOM 3209 C THR B 116 16.611 -52.229 29.348 1.00 52.47 C +ATOM 3210 O THR B 116 17.343 -51.790 28.463 1.00 60.16 O +ATOM 3211 CB THR B 116 18.152 -53.457 30.927 1.00 60.79 C +ATOM 3212 OG1 THR B 116 18.543 -54.762 31.381 1.00 63.14 O +ATOM 3213 CG2 THR B 116 17.849 -52.589 32.123 1.00 62.91 C +ATOM 3214 H THR B 116 18.075 -54.973 28.958 1.00 15.00 H +ATOM 3215 HG1 THR B 116 19.286 -54.657 31.984 1.00 15.00 H +ATOM 3216 N THR B 117 15.542 -51.566 29.778 1.00 42.28 N +ATOM 3217 CA THR B 117 15.170 -50.281 29.203 1.00 31.36 C +ATOM 3218 C THR B 117 15.012 -49.202 30.249 1.00 26.68 C +ATOM 3219 O THR B 117 14.346 -49.405 31.263 1.00 29.75 O +ATOM 3220 CB THR B 117 13.841 -50.374 28.443 1.00 32.65 C +ATOM 3221 OG1 THR B 117 13.986 -51.284 27.345 1.00 42.31 O +ATOM 3222 CG2 THR B 117 13.396 -48.990 27.937 1.00 22.11 C +ATOM 3223 H THR B 117 14.985 -51.944 30.490 1.00 15.00 H +ATOM 3224 HG1 THR B 117 14.763 -51.059 26.829 1.00 15.00 H +ATOM 3225 N ALA B 118 15.624 -48.052 30.004 1.00 26.06 N +ATOM 3226 CA ALA B 118 15.506 -46.931 30.926 1.00 25.17 C +ATOM 3227 C ALA B 118 14.101 -46.358 30.761 1.00 30.04 C +ATOM 3228 O ALA B 118 13.549 -46.349 29.657 1.00 38.83 O +ATOM 3229 CB ALA B 118 16.549 -45.878 30.630 1.00 27.16 C +ATOM 3230 H ALA B 118 16.118 -47.936 29.171 1.00 15.00 H +ATOM 3231 N PRO B 119 13.504 -45.879 31.860 1.00 30.98 N +ATOM 3232 CA PRO B 119 12.156 -45.305 31.869 1.00 31.24 C +ATOM 3233 C PRO B 119 12.075 -43.883 31.334 1.00 32.35 C +ATOM 3234 O PRO B 119 13.096 -43.225 31.121 1.00 38.77 O +ATOM 3235 CB PRO B 119 11.819 -45.306 33.357 1.00 29.61 C +ATOM 3236 CG PRO B 119 13.132 -44.910 33.969 1.00 18.96 C +ATOM 3237 CD PRO B 119 14.108 -45.805 33.206 1.00 26.87 C +ATOM 3238 N SER B 120 10.844 -43.400 31.192 1.00 29.91 N +ATOM 3239 CA SER B 120 10.567 -42.046 30.740 1.00 21.55 C +ATOM 3240 C SER B 120 9.620 -41.506 31.802 1.00 21.16 C +ATOM 3241 O SER B 120 8.676 -42.203 32.192 1.00 27.71 O +ATOM 3242 CB SER B 120 9.879 -42.088 29.377 1.00 30.73 C +ATOM 3243 OG SER B 120 10.645 -42.834 28.439 1.00 33.39 O +ATOM 3244 H SER B 120 10.064 -43.968 31.375 1.00 15.00 H +ATOM 3245 HG SER B 120 10.747 -43.741 28.761 1.00 15.00 H +ATOM 3246 N VAL B 121 9.904 -40.308 32.314 1.00 17.11 N +ATOM 3247 CA VAL B 121 9.089 -39.691 33.372 1.00 23.49 C +ATOM 3248 C VAL B 121 8.290 -38.513 32.832 1.00 24.51 C +ATOM 3249 O VAL B 121 8.840 -37.699 32.094 1.00 41.78 O +ATOM 3250 CB VAL B 121 9.996 -39.153 34.510 1.00 28.63 C +ATOM 3251 CG1 VAL B 121 9.161 -38.758 35.735 1.00 23.46 C +ATOM 3252 CG2 VAL B 121 11.069 -40.181 34.867 1.00 20.02 C +ATOM 3253 H VAL B 121 10.662 -39.797 31.969 1.00 15.00 H +ATOM 3254 N TYR B 122 7.027 -38.376 33.229 1.00 13.29 N +ATOM 3255 CA TYR B 122 6.201 -37.269 32.738 1.00 11.25 C +ATOM 3256 C TYR B 122 5.422 -36.567 33.825 1.00 9.36 C +ATOM 3257 O TYR B 122 4.562 -37.148 34.483 1.00 10.62 O +ATOM 3258 CB TYR B 122 5.208 -37.728 31.667 1.00 13.52 C +ATOM 3259 CG TYR B 122 5.855 -38.322 30.456 1.00 15.49 C +ATOM 3260 CD1 TYR B 122 6.938 -37.697 29.845 1.00 11.61 C +ATOM 3261 CD2 TYR B 122 5.438 -39.553 29.966 1.00 18.57 C +ATOM 3262 CE1 TYR B 122 7.595 -38.291 28.779 1.00 23.54 C +ATOM 3263 CE2 TYR B 122 6.092 -40.159 28.898 1.00 20.19 C +ATOM 3264 CZ TYR B 122 7.169 -39.525 28.312 1.00 23.95 C +ATOM 3265 OH TYR B 122 7.828 -40.140 27.272 1.00 29.42 O +ATOM 3266 H TYR B 122 6.654 -39.005 33.874 1.00 15.00 H +ATOM 3267 HH TYR B 122 8.474 -39.531 26.893 1.00 15.00 H +ATOM 3268 N PRO B 123 5.704 -35.292 34.014 1.00 2.00 N +ATOM 3269 CA PRO B 123 5.037 -34.487 35.022 1.00 3.20 C +ATOM 3270 C PRO B 123 3.560 -34.297 34.721 1.00 15.02 C +ATOM 3271 O PRO B 123 3.203 -33.639 33.745 1.00 26.16 O +ATOM 3272 CB PRO B 123 5.802 -33.169 34.953 1.00 5.42 C +ATOM 3273 CG PRO B 123 6.336 -33.142 33.563 1.00 11.41 C +ATOM 3274 CD PRO B 123 6.790 -34.546 33.371 1.00 4.05 C +ATOM 3275 N LEU B 124 2.700 -34.867 35.557 1.00 10.34 N +ATOM 3276 CA LEU B 124 1.281 -34.733 35.358 1.00 2.00 C +ATOM 3277 C LEU B 124 0.755 -33.546 36.105 1.00 2.00 C +ATOM 3278 O LEU B 124 0.264 -33.689 37.206 1.00 11.59 O +ATOM 3279 CB LEU B 124 0.524 -35.973 35.830 1.00 2.01 C +ATOM 3280 CG LEU B 124 0.311 -37.128 34.855 1.00 17.14 C +ATOM 3281 CD1 LEU B 124 -0.435 -36.656 33.625 1.00 24.13 C +ATOM 3282 CD2 LEU B 124 1.639 -37.711 34.445 1.00 21.38 C +ATOM 3283 H LEU B 124 3.013 -35.364 36.339 1.00 15.00 H +ATOM 3284 N ALA B 125 0.855 -32.366 35.522 1.00 13.47 N +ATOM 3285 CA ALA B 125 0.310 -31.178 36.169 1.00 12.87 C +ATOM 3286 C ALA B 125 -1.201 -31.294 36.006 1.00 22.92 C +ATOM 3287 O ALA B 125 -1.672 -32.031 35.138 1.00 31.95 O +ATOM 3288 CB ALA B 125 0.817 -29.937 35.490 1.00 13.70 C +ATOM 3289 H ALA B 125 1.269 -32.307 34.635 1.00 15.00 H +ATOM 3290 N PRO B 126 -1.986 -30.587 36.835 1.00 24.55 N +ATOM 3291 CA PRO B 126 -3.443 -30.692 36.695 1.00 32.46 C +ATOM 3292 C PRO B 126 -3.943 -30.009 35.426 1.00 41.56 C +ATOM 3293 O PRO B 126 -3.164 -29.357 34.718 1.00 40.81 O +ATOM 3294 CB PRO B 126 -3.955 -30.010 37.964 1.00 26.98 C +ATOM 3295 CG PRO B 126 -2.960 -28.950 38.185 1.00 26.79 C +ATOM 3296 CD PRO B 126 -1.631 -29.623 37.887 1.00 19.79 C +ATOM 3297 N VAL B 127 -5.243 -30.142 35.158 1.00 47.72 N +ATOM 3298 CA VAL B 127 -5.858 -29.560 33.964 1.00 50.08 C +ATOM 3299 C VAL B 127 -5.703 -28.056 33.828 1.00 57.89 C +ATOM 3300 O VAL B 127 -5.812 -27.321 34.812 1.00 50.45 O +ATOM 3301 CB VAL B 127 -7.356 -29.908 33.844 1.00 42.39 C +ATOM 3302 CG1 VAL B 127 -7.516 -31.378 33.535 1.00 44.09 C +ATOM 3303 CG2 VAL B 127 -8.106 -29.529 35.115 1.00 35.16 C +ATOM 3304 H VAL B 127 -5.800 -30.632 35.794 1.00 15.00 H +ATOM 3305 N CYS B 128 -5.479 -27.623 32.585 1.00 70.87 N +ATOM 3306 CA CYS B 128 -5.308 -26.215 32.225 1.00 80.34 C +ATOM 3307 C CYS B 128 -6.448 -25.418 32.840 1.00 83.70 C +ATOM 3308 O CYS B 128 -6.261 -24.289 33.287 1.00 80.56 O +ATOM 3309 CB CYS B 128 -5.346 -26.072 30.705 1.00 87.85 C +ATOM 3310 SG CYS B 128 -4.245 -24.811 29.988 1.00 97.48 S +ATOM 3311 H CYS B 128 -5.389 -28.295 31.881 1.00 15.00 H +ATOM 3312 N GLY B 129 -7.641 -26.005 32.812 1.00 91.81 N +ATOM 3313 CA GLY B 129 -8.791 -25.369 33.417 1.00104.69 C +ATOM 3314 C GLY B 129 -8.544 -25.525 34.904 1.00113.58 C +ATOM 3315 O GLY B 129 -9.031 -26.465 35.531 1.00115.11 O +ATOM 3316 H GLY B 129 -7.746 -26.885 32.412 1.00 15.00 H +ATOM 3317 N ASP B 130 -7.718 -24.631 35.437 1.00121.71 N +ATOM 3318 CA ASP B 130 -7.320 -24.619 36.839 1.00131.24 C +ATOM 3319 C ASP B 130 -8.448 -24.921 37.824 1.00136.18 C +ATOM 3320 O ASP B 130 -9.138 -24.013 38.298 1.00134.39 O +ATOM 3321 CB ASP B 130 -6.679 -23.266 37.182 1.00134.49 C +ATOM 3322 CG ASP B 130 -5.647 -22.820 36.148 1.00136.33 C +ATOM 3323 OD1 ASP B 130 -4.759 -23.623 35.789 1.00139.36 O +ATOM 3324 OD2 ASP B 130 -5.726 -21.659 35.693 1.00138.39 O +ATOM 3325 H ASP B 130 -7.358 -23.943 34.840 1.00 15.00 H +ATOM 3326 N THR B 133 -8.629 -26.205 38.121 1.00143.36 N +ATOM 3327 CA THR B 133 -9.649 -26.658 39.059 1.00149.24 C +ATOM 3328 C THR B 133 -9.189 -26.303 40.474 1.00150.26 C +ATOM 3329 O THR B 133 -8.697 -27.165 41.212 1.00153.25 O +ATOM 3330 CB THR B 133 -9.853 -28.197 38.960 1.00151.13 C +ATOM 3331 OG1 THR B 133 -8.583 -28.861 39.034 1.00151.10 O +ATOM 3332 CG2 THR B 133 -10.543 -28.570 37.658 1.00152.81 C +ATOM 3333 H THR B 133 -8.083 -26.888 37.676 1.00 15.00 H +ATOM 3334 HG1 THR B 133 -8.249 -28.700 39.929 1.00 15.00 H +ATOM 3335 N THR B 134 -9.299 -25.027 40.834 1.00147.82 N +ATOM 3336 CA THR B 134 -8.872 -24.589 42.155 1.00141.69 C +ATOM 3337 C THR B 134 -9.866 -25.039 43.228 1.00135.36 C +ATOM 3338 O THR B 134 -11.056 -25.231 42.953 1.00135.64 O +ATOM 3339 CB THR B 134 -8.626 -23.055 42.200 1.00142.92 C +ATOM 3340 OG1 THR B 134 -7.796 -22.733 43.326 1.00142.65 O +ATOM 3341 CG2 THR B 134 -9.941 -22.289 42.294 1.00144.28 C +ATOM 3342 H THR B 134 -9.685 -24.382 40.206 1.00 15.00 H +ATOM 3343 HG1 THR B 134 -7.610 -21.789 43.321 1.00 15.00 H +ATOM 3344 N GLY B 135 -9.351 -25.252 44.435 1.00126.45 N +ATOM 3345 CA GLY B 135 -10.176 -25.695 45.545 1.00114.96 C +ATOM 3346 C GLY B 135 -9.344 -25.805 46.807 1.00102.85 C +ATOM 3347 O GLY B 135 -9.148 -24.823 47.513 1.00103.45 O +ATOM 3348 H GLY B 135 -8.402 -25.058 44.583 1.00 15.00 H +ATOM 3349 N SER B 136 -8.843 -27.000 47.087 1.00 91.68 N +ATOM 3350 CA SER B 136 -8.009 -27.222 48.261 1.00 77.37 C +ATOM 3351 C SER B 136 -7.141 -28.452 48.029 1.00 65.87 C +ATOM 3352 O SER B 136 -5.938 -28.424 48.266 1.00 65.89 O +ATOM 3353 CB SER B 136 -8.867 -27.391 49.519 1.00 77.56 C +ATOM 3354 OG SER B 136 -8.063 -27.425 50.686 1.00 76.20 O +ATOM 3355 H SER B 136 -9.030 -27.739 46.476 1.00 15.00 H +ATOM 3356 HG SER B 136 -8.641 -27.394 51.454 1.00 15.00 H +ATOM 3357 N SER B 137 -7.749 -29.512 47.515 1.00 53.96 N +ATOM 3358 CA SER B 137 -7.039 -30.746 47.242 1.00 45.85 C +ATOM 3359 C SER B 137 -6.422 -30.710 45.846 1.00 43.27 C +ATOM 3360 O SER B 137 -6.959 -31.294 44.894 1.00 52.40 O +ATOM 3361 CB SER B 137 -8.004 -31.925 47.379 1.00 51.87 C +ATOM 3362 OG SER B 137 -8.843 -31.748 48.512 1.00 58.02 O +ATOM 3363 H SER B 137 -8.709 -29.516 47.340 1.00 15.00 H +ATOM 3364 HG SER B 137 -8.285 -31.767 49.297 1.00 15.00 H +ATOM 3365 N VAL B 138 -5.290 -30.027 45.724 1.00 29.68 N +ATOM 3366 CA VAL B 138 -4.608 -29.921 44.442 1.00 30.24 C +ATOM 3367 C VAL B 138 -3.791 -31.176 44.141 1.00 26.48 C +ATOM 3368 O VAL B 138 -2.570 -31.159 44.230 1.00 39.98 O +ATOM 3369 CB VAL B 138 -3.669 -28.722 44.437 1.00 34.12 C +ATOM 3370 CG1 VAL B 138 -3.036 -28.546 43.059 1.00 45.15 C +ATOM 3371 CG2 VAL B 138 -4.424 -27.481 44.851 1.00 54.36 C +ATOM 3372 H VAL B 138 -4.911 -29.600 46.529 1.00 15.00 H +ATOM 3373 N THR B 139 -4.450 -32.274 43.807 1.00 13.97 N +ATOM 3374 CA THR B 139 -3.716 -33.492 43.522 1.00 13.12 C +ATOM 3375 C THR B 139 -2.891 -33.404 42.248 1.00 18.39 C +ATOM 3376 O THR B 139 -3.332 -32.824 41.258 1.00 31.00 O +ATOM 3377 CB THR B 139 -4.629 -34.702 43.456 1.00 9.14 C +ATOM 3378 OG1 THR B 139 -3.968 -35.758 42.748 1.00 17.45 O +ATOM 3379 CG2 THR B 139 -5.931 -34.349 42.786 1.00 38.82 C +ATOM 3380 H THR B 139 -5.424 -32.225 43.741 1.00 15.00 H +ATOM 3381 HG1 THR B 139 -3.148 -35.993 43.198 1.00 15.00 H +ATOM 3382 N LEU B 140 -1.682 -33.961 42.291 1.00 14.02 N +ATOM 3383 CA LEU B 140 -0.769 -33.964 41.154 1.00 14.85 C +ATOM 3384 C LEU B 140 -0.327 -35.382 40.976 1.00 18.29 C +ATOM 3385 O LEU B 140 -0.733 -36.256 41.744 1.00 28.60 O +ATOM 3386 CB LEU B 140 0.493 -33.169 41.460 1.00 16.32 C +ATOM 3387 CG LEU B 140 0.403 -31.749 42.001 1.00 28.30 C +ATOM 3388 CD1 LEU B 140 1.794 -31.182 42.065 1.00 16.57 C +ATOM 3389 CD2 LEU B 140 -0.473 -30.874 41.116 1.00 33.01 C +ATOM 3390 H LEU B 140 -1.366 -34.403 43.070 1.00 15.00 H +ATOM 3391 N GLY B 141 0.575 -35.599 40.023 1.00 10.48 N +ATOM 3392 CA GLY B 141 1.077 -36.934 39.787 1.00 3.01 C +ATOM 3393 C GLY B 141 2.140 -36.960 38.715 1.00 9.99 C +ATOM 3394 O GLY B 141 2.430 -35.926 38.110 1.00 12.72 O +ATOM 3395 H GLY B 141 0.894 -34.879 39.435 1.00 15.00 H +ATOM 3396 N CYS B 142 2.795 -38.103 38.545 1.00 3.83 N +ATOM 3397 CA CYS B 142 3.786 -38.233 37.497 1.00 18.98 C +ATOM 3398 C CYS B 142 3.778 -39.655 36.981 1.00 20.03 C +ATOM 3399 O CYS B 142 3.573 -40.605 37.733 1.00 22.35 O +ATOM 3400 CB CYS B 142 5.176 -37.768 37.928 1.00 28.17 C +ATOM 3401 SG CYS B 142 5.909 -38.603 39.353 1.00 43.61 S +ATOM 3402 H CYS B 142 2.611 -38.874 39.126 1.00 15.00 H +ATOM 3403 N LEU B 143 3.851 -39.770 35.666 1.00 16.78 N +ATOM 3404 CA LEU B 143 3.801 -41.053 35.014 1.00 14.33 C +ATOM 3405 C LEU B 143 5.207 -41.478 34.739 1.00 14.64 C +ATOM 3406 O LEU B 143 6.044 -40.643 34.396 1.00 21.61 O +ATOM 3407 CB LEU B 143 3.029 -40.935 33.706 1.00 13.40 C +ATOM 3408 CG LEU B 143 2.725 -42.249 33.006 1.00 9.42 C +ATOM 3409 CD1 LEU B 143 1.608 -42.963 33.730 1.00 19.97 C +ATOM 3410 CD2 LEU B 143 2.305 -41.954 31.610 1.00 3.84 C +ATOM 3411 H LEU B 143 3.964 -38.964 35.122 1.00 15.00 H +ATOM 3412 N VAL B 144 5.468 -42.765 34.924 1.00 9.82 N +ATOM 3413 CA VAL B 144 6.788 -43.349 34.696 1.00 18.57 C +ATOM 3414 C VAL B 144 6.456 -44.448 33.745 1.00 25.49 C +ATOM 3415 O VAL B 144 5.919 -45.488 34.147 1.00 33.38 O +ATOM 3416 CB VAL B 144 7.373 -44.028 35.956 1.00 27.08 C +ATOM 3417 CG1 VAL B 144 8.758 -44.604 35.630 1.00 15.66 C +ATOM 3418 CG2 VAL B 144 7.442 -43.050 37.131 1.00 16.67 C +ATOM 3419 H VAL B 144 4.753 -43.358 35.216 1.00 15.00 H +ATOM 3420 N LYS B 145 6.816 -44.259 32.492 1.00 28.01 N +ATOM 3421 CA LYS B 145 6.450 -45.236 31.497 1.00 27.95 C +ATOM 3422 C LYS B 145 7.606 -45.868 30.765 1.00 20.90 C +ATOM 3423 O LYS B 145 8.625 -45.227 30.516 1.00 19.94 O +ATOM 3424 CB LYS B 145 5.503 -44.553 30.502 1.00 31.98 C +ATOM 3425 CG LYS B 145 4.869 -45.458 29.476 1.00 50.67 C +ATOM 3426 CD LYS B 145 4.087 -44.653 28.443 1.00 62.25 C +ATOM 3427 CE LYS B 145 3.443 -45.550 27.388 1.00 66.83 C +ATOM 3428 NZ LYS B 145 2.419 -46.460 27.983 1.00 71.08 N +ATOM 3429 H LYS B 145 7.341 -43.479 32.233 1.00 15.00 H +ATOM 3430 HZ1 LYS B 145 2.866 -47.062 28.705 1.00 15.00 H +ATOM 3431 HZ2 LYS B 145 1.658 -45.900 28.417 1.00 15.00 H +ATOM 3432 HZ3 LYS B 145 2.022 -47.063 27.234 1.00 15.00 H +ATOM 3433 N GLY B 146 7.431 -47.147 30.461 1.00 20.88 N +ATOM 3434 CA GLY B 146 8.400 -47.906 29.697 1.00 25.72 C +ATOM 3435 C GLY B 146 9.749 -48.180 30.301 1.00 25.64 C +ATOM 3436 O GLY B 146 10.749 -47.646 29.831 1.00 32.72 O +ATOM 3437 H GLY B 146 6.626 -47.594 30.798 1.00 15.00 H +ATOM 3438 N TYR B 147 9.783 -49.059 31.297 1.00 24.06 N +ATOM 3439 CA TYR B 147 11.034 -49.417 31.948 1.00 25.95 C +ATOM 3440 C TYR B 147 11.081 -50.898 32.239 1.00 33.11 C +ATOM 3441 O TYR B 147 10.038 -51.532 32.376 1.00 37.50 O +ATOM 3442 CB TYR B 147 11.240 -48.625 33.244 1.00 19.33 C +ATOM 3443 CG TYR B 147 10.276 -48.928 34.374 1.00 20.43 C +ATOM 3444 CD1 TYR B 147 10.430 -50.062 35.171 1.00 21.45 C +ATOM 3445 CD2 TYR B 147 9.235 -48.056 34.673 1.00 24.22 C +ATOM 3446 CE1 TYR B 147 9.577 -50.309 36.229 1.00 15.16 C +ATOM 3447 CE2 TYR B 147 8.382 -48.294 35.723 1.00 20.12 C +ATOM 3448 CZ TYR B 147 8.559 -49.416 36.498 1.00 27.04 C +ATOM 3449 OH TYR B 147 7.734 -49.618 37.571 1.00 35.23 O +ATOM 3450 H TYR B 147 8.949 -49.466 31.608 1.00 15.00 H +ATOM 3451 HH TYR B 147 7.187 -48.839 37.701 1.00 15.00 H +ATOM 3452 N PHE B 148 12.291 -51.443 32.328 1.00 36.40 N +ATOM 3453 CA PHE B 148 12.479 -52.858 32.616 1.00 44.77 C +ATOM 3454 C PHE B 148 13.873 -53.091 33.208 1.00 50.66 C +ATOM 3455 O PHE B 148 14.850 -52.495 32.754 1.00 60.75 O +ATOM 3456 CB PHE B 148 12.295 -53.675 31.342 1.00 39.09 C +ATOM 3457 CG PHE B 148 12.356 -55.152 31.557 1.00 43.79 C +ATOM 3458 CD1 PHE B 148 13.578 -55.820 31.538 1.00 46.16 C +ATOM 3459 CD2 PHE B 148 11.192 -55.882 31.761 1.00 44.86 C +ATOM 3460 CE1 PHE B 148 13.642 -57.187 31.715 1.00 44.03 C +ATOM 3461 CE2 PHE B 148 11.239 -57.254 31.940 1.00 48.52 C +ATOM 3462 CZ PHE B 148 12.470 -57.909 31.917 1.00 53.95 C +ATOM 3463 H PHE B 148 13.082 -50.885 32.161 1.00 15.00 H +ATOM 3464 N PRO B 149 13.973 -53.909 34.272 1.00 41.88 N +ATOM 3465 CA PRO B 149 12.846 -54.585 34.907 1.00 34.12 C +ATOM 3466 C PRO B 149 12.530 -53.889 36.216 1.00 30.01 C +ATOM 3467 O PRO B 149 13.034 -52.793 36.481 1.00 19.31 O +ATOM 3468 CB PRO B 149 13.413 -55.969 35.163 1.00 28.43 C +ATOM 3469 CG PRO B 149 14.779 -55.633 35.649 1.00 37.39 C +ATOM 3470 CD PRO B 149 15.241 -54.470 34.766 1.00 37.38 C +ATOM 3471 N GLU B 150 11.687 -54.523 37.022 1.00 32.96 N +ATOM 3472 CA GLU B 150 11.336 -53.973 38.313 1.00 34.95 C +ATOM 3473 C GLU B 150 12.617 -53.995 39.145 1.00 40.15 C +ATOM 3474 O GLU B 150 13.469 -54.864 38.963 1.00 43.13 O +ATOM 3475 CB GLU B 150 10.240 -54.819 38.959 1.00 37.79 C +ATOM 3476 CG GLU B 150 8.821 -54.380 38.624 1.00 27.55 C +ATOM 3477 CD GLU B 150 8.380 -53.190 39.449 1.00 40.82 C +ATOM 3478 OE1 GLU B 150 8.917 -52.082 39.247 1.00 47.33 O +ATOM 3479 OE2 GLU B 150 7.497 -53.362 40.314 1.00 54.39 O +ATOM 3480 H GLU B 150 11.316 -55.390 36.768 1.00 15.00 H +ATOM 3481 N PRO B 151 12.769 -53.045 40.070 1.00 42.32 N +ATOM 3482 CA PRO B 151 11.804 -51.983 40.348 1.00 39.82 C +ATOM 3483 C PRO B 151 12.408 -50.614 40.132 1.00 31.41 C +ATOM 3484 O PRO B 151 13.529 -50.491 39.643 1.00 32.35 O +ATOM 3485 CB PRO B 151 11.539 -52.188 41.825 1.00 52.81 C +ATOM 3486 CG PRO B 151 12.960 -52.460 42.343 1.00 53.92 C +ATOM 3487 CD PRO B 151 13.680 -53.224 41.214 1.00 46.00 C +ATOM 3488 N VAL B 152 11.662 -49.592 40.531 1.00 25.59 N +ATOM 3489 CA VAL B 152 12.112 -48.212 40.425 1.00 25.38 C +ATOM 3490 C VAL B 152 11.739 -47.550 41.735 1.00 28.81 C +ATOM 3491 O VAL B 152 10.844 -48.028 42.450 1.00 31.24 O +ATOM 3492 CB VAL B 152 11.425 -47.448 39.273 1.00 30.05 C +ATOM 3493 CG1 VAL B 152 11.711 -48.120 37.964 1.00 40.35 C +ATOM 3494 CG2 VAL B 152 9.929 -47.371 39.491 1.00 31.43 C +ATOM 3495 H VAL B 152 10.788 -49.732 40.954 1.00 15.00 H +ATOM 3496 N THR B 153 12.416 -46.460 42.064 1.00 24.18 N +ATOM 3497 CA THR B 153 12.102 -45.781 43.306 1.00 26.63 C +ATOM 3498 C THR B 153 11.581 -44.414 42.963 1.00 26.17 C +ATOM 3499 O THR B 153 12.275 -43.618 42.334 1.00 32.43 O +ATOM 3500 CB THR B 153 13.319 -45.660 44.235 1.00 20.39 C +ATOM 3501 OG1 THR B 153 13.936 -46.943 44.379 1.00 24.48 O +ATOM 3502 CG2 THR B 153 12.883 -45.194 45.609 1.00 22.86 C +ATOM 3503 H THR B 153 13.105 -46.101 41.466 1.00 15.00 H +ATOM 3504 HG1 THR B 153 14.233 -47.257 43.521 1.00 15.00 H +ATOM 3505 N LEU B 154 10.321 -44.187 43.299 1.00 21.04 N +ATOM 3506 CA LEU B 154 9.695 -42.909 43.029 1.00 24.91 C +ATOM 3507 C LEU B 154 9.438 -42.242 44.346 1.00 26.45 C +ATOM 3508 O LEU B 154 8.746 -42.784 45.202 1.00 32.34 O +ATOM 3509 CB LEU B 154 8.375 -43.080 42.283 1.00 21.50 C +ATOM 3510 CG LEU B 154 7.833 -41.798 41.647 1.00 15.25 C +ATOM 3511 CD1 LEU B 154 6.793 -42.160 40.610 1.00 18.97 C +ATOM 3512 CD2 LEU B 154 7.268 -40.838 42.687 1.00 17.53 C +ATOM 3513 H LEU B 154 9.800 -44.877 43.757 1.00 15.00 H +ATOM 3514 N THR B 156 9.934 -41.029 44.471 1.00 27.13 N +ATOM 3515 CA THR B 156 9.788 -40.270 45.687 1.00 31.96 C +ATOM 3516 C THR B 156 9.492 -38.829 45.305 1.00 33.25 C +ATOM 3517 O THR B 156 9.979 -38.337 44.292 1.00 38.28 O +ATOM 3518 CB THR B 156 11.092 -40.369 46.523 1.00 31.42 C +ATOM 3519 OG1 THR B 156 11.189 -39.256 47.420 1.00 46.03 O +ATOM 3520 CG2 THR B 156 12.324 -40.409 45.615 1.00 35.58 C +ATOM 3521 H THR B 156 10.397 -40.603 43.741 1.00 15.00 H +ATOM 3522 HG1 THR B 156 10.598 -39.413 48.166 1.00 15.00 H +ATOM 3523 N TRP B 157 8.642 -38.178 46.085 1.00 31.11 N +ATOM 3524 CA TRP B 157 8.282 -36.794 45.839 1.00 25.62 C +ATOM 3525 C TRP B 157 9.179 -35.880 46.645 1.00 33.95 C +ATOM 3526 O TRP B 157 9.333 -36.065 47.852 1.00 39.77 O +ATOM 3527 CB TRP B 157 6.833 -36.560 46.222 1.00 18.98 C +ATOM 3528 CG TRP B 157 5.908 -37.273 45.310 1.00 24.05 C +ATOM 3529 CD1 TRP B 157 5.397 -38.525 45.474 1.00 16.70 C +ATOM 3530 CD2 TRP B 157 5.428 -36.803 44.046 1.00 26.58 C +ATOM 3531 NE1 TRP B 157 4.642 -38.868 44.388 1.00 22.57 N +ATOM 3532 CE2 TRP B 157 4.641 -37.826 43.496 1.00 27.14 C +ATOM 3533 CE3 TRP B 157 5.595 -35.616 43.321 1.00 28.46 C +ATOM 3534 CZ2 TRP B 157 4.020 -37.700 42.254 1.00 32.46 C +ATOM 3535 CZ3 TRP B 157 4.982 -35.495 42.093 1.00 25.34 C +ATOM 3536 CH2 TRP B 157 4.205 -36.529 41.572 1.00 27.72 C +ATOM 3537 H TRP B 157 8.250 -38.619 46.865 1.00 15.00 H +ATOM 3538 HE1 TRP B 157 4.197 -39.735 44.243 1.00 15.00 H +ATOM 3539 N ASN B 162 9.783 -34.904 45.970 1.00 35.70 N +ATOM 3540 CA ASN B 162 10.681 -33.946 46.609 1.00 31.03 C +ATOM 3541 C ASN B 162 11.770 -34.624 47.451 1.00 35.58 C +ATOM 3542 O ASN B 162 11.930 -34.338 48.638 1.00 34.06 O +ATOM 3543 CB ASN B 162 9.885 -32.957 47.461 1.00 28.55 C +ATOM 3544 CG ASN B 162 9.550 -31.674 46.723 1.00 27.27 C +ATOM 3545 OD1 ASN B 162 8.781 -30.861 47.221 1.00 34.32 O +ATOM 3546 ND2 ASN B 162 10.130 -31.477 45.547 1.00 32.89 N +ATOM 3547 H ASN B 162 9.589 -34.836 45.007 1.00 15.00 H +ATOM 3548 HD21 ASN B 162 9.887 -30.609 45.165 1.00 15.00 H +ATOM 3549 HD22 ASN B 162 10.750 -32.096 45.109 1.00 15.00 H +ATOM 3550 N SER B 163 12.436 -35.610 46.861 1.00 37.82 N +ATOM 3551 CA SER B 163 13.520 -36.315 47.531 1.00 35.50 C +ATOM 3552 C SER B 163 13.130 -37.045 48.820 1.00 29.63 C +ATOM 3553 O SER B 163 13.967 -37.672 49.473 1.00 30.22 O +ATOM 3554 CB SER B 163 14.648 -35.321 47.808 1.00 36.64 C +ATOM 3555 OG SER B 163 15.026 -34.651 46.612 1.00 45.05 O +ATOM 3556 H SER B 163 12.217 -35.870 45.953 1.00 15.00 H +ATOM 3557 HG SER B 163 15.338 -35.285 45.958 1.00 15.00 H +ATOM 3558 N GLY B 164 11.854 -36.999 49.161 1.00 24.00 N +ATOM 3559 CA GLY B 164 11.404 -37.654 50.368 1.00 18.25 C +ATOM 3560 C GLY B 164 10.756 -36.635 51.281 1.00 17.00 C +ATOM 3561 O GLY B 164 9.946 -36.996 52.136 1.00 21.12 O +ATOM 3562 H GLY B 164 11.182 -36.537 48.628 1.00 15.00 H +ATOM 3563 N SER B 165 11.090 -35.361 51.097 1.00 2.65 N +ATOM 3564 CA SER B 165 10.529 -34.316 51.930 1.00 17.88 C +ATOM 3565 C SER B 165 9.006 -34.355 52.008 1.00 22.29 C +ATOM 3566 O SER B 165 8.417 -33.980 53.025 1.00 31.93 O +ATOM 3567 CB SER B 165 11.006 -32.958 51.447 1.00 25.12 C +ATOM 3568 OG SER B 165 12.416 -32.886 51.553 1.00 50.01 O +ATOM 3569 H SER B 165 11.740 -35.104 50.411 1.00 15.00 H +ATOM 3570 HG SER B 165 12.671 -32.998 52.477 1.00 15.00 H +ATOM 3571 N LEU B 166 8.377 -34.826 50.940 1.00 24.50 N +ATOM 3572 CA LEU B 166 6.928 -34.926 50.882 1.00 23.83 C +ATOM 3573 C LEU B 166 6.563 -36.395 50.856 1.00 27.59 C +ATOM 3574 O LEU B 166 7.000 -37.143 49.970 1.00 36.39 O +ATOM 3575 CB LEU B 166 6.381 -34.221 49.639 1.00 19.99 C +ATOM 3576 CG LEU B 166 4.861 -34.023 49.633 1.00 19.48 C +ATOM 3577 CD1 LEU B 166 4.356 -33.475 50.966 1.00 23.60 C +ATOM 3578 CD2 LEU B 166 4.478 -33.093 48.525 1.00 18.84 C +ATOM 3579 H LEU B 166 8.879 -35.167 50.168 1.00 15.00 H +ATOM 3580 N SER B 167 5.769 -36.807 51.833 1.00 27.72 N +ATOM 3581 CA SER B 167 5.365 -38.198 51.946 1.00 31.77 C +ATOM 3582 C SER B 167 3.948 -38.290 52.471 1.00 39.19 C +ATOM 3583 O SER B 167 3.386 -39.379 52.570 1.00 41.21 O +ATOM 3584 CB SER B 167 6.308 -38.897 52.915 1.00 40.10 C +ATOM 3585 OG SER B 167 6.506 -38.091 54.077 1.00 57.35 O +ATOM 3586 H SER B 167 5.523 -36.176 52.536 1.00 15.00 H +ATOM 3587 HG SER B 167 7.186 -38.527 54.602 1.00 15.00 H +ATOM 3588 N SER B 168 3.385 -37.141 52.833 1.00 41.61 N +ATOM 3589 CA SER B 168 2.026 -37.066 53.353 1.00 42.21 C +ATOM 3590 C SER B 168 1.032 -36.816 52.205 1.00 42.28 C +ATOM 3591 O SER B 168 1.056 -35.755 51.577 1.00 45.20 O +ATOM 3592 CB SER B 168 1.946 -35.933 54.389 1.00 45.56 C +ATOM 3593 OG SER B 168 0.720 -35.930 55.106 1.00 54.75 O +ATOM 3594 H SER B 168 3.868 -36.297 52.736 1.00 15.00 H +ATOM 3595 HG SER B 168 0.701 -35.167 55.693 1.00 15.00 H +ATOM 3596 N GLY B 169 0.193 -37.808 51.909 1.00 34.50 N +ATOM 3597 CA GLY B 169 -0.798 -37.658 50.855 1.00 25.64 C +ATOM 3598 C GLY B 169 -0.390 -38.183 49.493 1.00 19.93 C +ATOM 3599 O GLY B 169 -1.002 -37.838 48.477 1.00 31.24 O +ATOM 3600 H GLY B 169 0.242 -38.644 52.415 1.00 15.00 H +ATOM 3601 N VAL B 171 0.627 -39.035 49.471 1.00 9.13 N +ATOM 3602 CA VAL B 171 1.144 -39.624 48.241 1.00 2.00 C +ATOM 3603 C VAL B 171 0.582 -41.014 48.055 1.00 3.89 C +ATOM 3604 O VAL B 171 0.069 -41.603 48.994 1.00 20.53 O +ATOM 3605 CB VAL B 171 2.666 -39.733 48.302 1.00 2.00 C +ATOM 3606 CG1 VAL B 171 3.227 -40.414 47.058 1.00 7.88 C +ATOM 3607 CG2 VAL B 171 3.265 -38.361 48.472 1.00 5.74 C +ATOM 3608 H VAL B 171 1.038 -39.318 50.312 1.00 15.00 H +ATOM 3609 N HIS B 172 0.603 -41.498 46.820 1.00 16.87 N +ATOM 3610 CA HIS B 172 0.137 -42.840 46.469 1.00 18.00 C +ATOM 3611 C HIS B 172 1.021 -43.303 45.334 1.00 25.67 C +ATOM 3612 O HIS B 172 1.313 -42.524 44.415 1.00 27.79 O +ATOM 3613 CB HIS B 172 -1.277 -42.818 45.933 1.00 6.23 C +ATOM 3614 CG HIS B 172 -2.332 -42.823 46.984 1.00 11.03 C +ATOM 3615 ND1 HIS B 172 -2.877 -41.666 47.493 1.00 23.28 N +ATOM 3616 CD2 HIS B 172 -3.013 -43.843 47.554 1.00 13.51 C +ATOM 3617 CE1 HIS B 172 -3.855 -41.969 48.325 1.00 14.67 C +ATOM 3618 NE2 HIS B 172 -3.959 -43.284 48.380 1.00 23.39 N +ATOM 3619 H HIS B 172 0.930 -40.931 46.083 1.00 15.00 H +ATOM 3620 HD1 HIS B 172 -2.585 -40.756 47.265 1.00 15.00 H +ATOM 3621 HE2 HIS B 172 -4.640 -43.771 48.890 1.00 15.00 H +ATOM 3622 N THR B 173 1.459 -44.554 45.395 1.00 23.93 N +ATOM 3623 CA THR B 173 2.299 -45.107 44.345 1.00 23.61 C +ATOM 3624 C THR B 173 1.616 -46.382 43.895 1.00 25.40 C +ATOM 3625 O THR B 173 1.302 -47.241 44.711 1.00 31.48 O +ATOM 3626 CB THR B 173 3.713 -45.386 44.842 1.00 20.50 C +ATOM 3627 OG1 THR B 173 4.355 -44.138 45.151 1.00 13.09 O +ATOM 3628 CG2 THR B 173 4.513 -46.124 43.773 1.00 24.67 C +ATOM 3629 H THR B 173 1.242 -45.146 46.145 1.00 15.00 H +ATOM 3630 HG1 THR B 173 5.316 -44.210 45.076 1.00 15.00 H +ATOM 3631 N PHE B 174 1.356 -46.475 42.595 1.00 23.77 N +ATOM 3632 CA PHE B 174 0.645 -47.602 42.019 1.00 15.86 C +ATOM 3633 C PHE B 174 1.534 -48.721 41.518 1.00 16.15 C +ATOM 3634 O PHE B 174 2.522 -48.487 40.809 1.00 22.00 O +ATOM 3635 CB PHE B 174 -0.309 -47.100 40.916 1.00 21.85 C +ATOM 3636 CG PHE B 174 -1.320 -46.074 41.407 1.00 4.42 C +ATOM 3637 CD1 PHE B 174 -0.999 -44.724 41.452 1.00 7.62 C +ATOM 3638 CD2 PHE B 174 -2.556 -46.474 41.903 1.00 2.00 C +ATOM 3639 CE1 PHE B 174 -1.891 -43.788 41.999 1.00 9.27 C +ATOM 3640 CE2 PHE B 174 -3.447 -45.550 42.449 1.00 2.00 C +ATOM 3641 CZ PHE B 174 -3.109 -44.203 42.498 1.00 4.14 C +ATOM 3642 H PHE B 174 1.665 -45.777 41.976 1.00 15.00 H +ATOM 3643 N PRO B 175 1.188 -49.967 41.878 1.00 12.84 N +ATOM 3644 CA PRO B 175 1.983 -51.118 41.456 1.00 5.30 C +ATOM 3645 C PRO B 175 2.121 -51.196 39.964 1.00 8.99 C +ATOM 3646 O PRO B 175 1.136 -51.272 39.236 1.00 19.44 O +ATOM 3647 CB PRO B 175 1.236 -52.307 42.057 1.00 2.00 C +ATOM 3648 CG PRO B 175 -0.135 -51.784 42.320 1.00 9.79 C +ATOM 3649 CD PRO B 175 0.083 -50.381 42.752 1.00 2.00 C +ATOM 3650 N ALA B 176 3.371 -51.078 39.531 1.00 21.40 N +ATOM 3651 CA ALA B 176 3.754 -51.134 38.132 1.00 18.41 C +ATOM 3652 C ALA B 176 3.139 -52.323 37.431 1.00 22.38 C +ATOM 3653 O ALA B 176 2.981 -53.396 38.025 1.00 21.33 O +ATOM 3654 CB ALA B 176 5.248 -51.206 38.023 1.00 18.68 C +ATOM 3655 H ALA B 176 4.069 -50.941 40.200 1.00 15.00 H +ATOM 3656 N VAL B 177 2.804 -52.127 36.159 1.00 31.21 N +ATOM 3657 CA VAL B 177 2.196 -53.179 35.354 1.00 40.57 C +ATOM 3658 C VAL B 177 3.012 -53.510 34.098 1.00 40.76 C +ATOM 3659 O VAL B 177 3.583 -52.616 33.445 1.00 34.77 O +ATOM 3660 CB VAL B 177 0.761 -52.811 34.958 1.00 44.35 C +ATOM 3661 CG1 VAL B 177 0.087 -54.000 34.271 1.00 49.73 C +ATOM 3662 CG2 VAL B 177 -0.031 -52.367 36.199 1.00 47.44 C +ATOM 3663 H VAL B 177 2.962 -51.245 35.761 1.00 15.00 H +ATOM 3664 N LEU B 178 3.059 -54.803 33.779 1.00 41.47 N +ATOM 3665 CA LEU B 178 3.808 -55.313 32.637 1.00 48.95 C +ATOM 3666 C LEU B 178 3.056 -55.229 31.318 1.00 54.34 C +ATOM 3667 O LEU B 178 2.280 -56.121 30.969 1.00 57.64 O +ATOM 3668 CB LEU B 178 4.234 -56.762 32.888 1.00 48.80 C +ATOM 3669 CG LEU B 178 5.223 -57.349 31.875 1.00 48.59 C +ATOM 3670 CD1 LEU B 178 6.522 -56.554 31.904 1.00 43.46 C +ATOM 3671 CD2 LEU B 178 5.484 -58.824 32.177 1.00 49.63 C +ATOM 3672 H LEU B 178 2.566 -55.443 34.329 1.00 15.00 H +ATOM 3673 N GLN B 179 3.303 -54.153 30.586 1.00 58.66 N +ATOM 3674 CA GLN B 179 2.680 -53.936 29.292 1.00 59.22 C +ATOM 3675 C GLN B 179 3.671 -54.374 28.218 1.00 60.92 C +ATOM 3676 O GLN B 179 4.579 -53.623 27.862 1.00 64.43 O +ATOM 3677 CB GLN B 179 2.318 -52.453 29.115 1.00 60.36 C +ATOM 3678 CG GLN B 179 3.370 -51.493 29.674 1.00 62.68 C +ATOM 3679 CD GLN B 179 3.383 -50.139 28.996 1.00 65.86 C +ATOM 3680 OE1 GLN B 179 2.422 -49.755 28.327 1.00 75.28 O +ATOM 3681 NE2 GLN B 179 4.474 -49.398 29.177 1.00 52.07 N +ATOM 3682 H GLN B 179 3.941 -53.498 30.934 1.00 15.00 H +ATOM 3683 HE21 GLN B 179 4.496 -48.527 28.740 1.00 15.00 H +ATOM 3684 HE22 GLN B 179 5.179 -49.769 29.744 1.00 15.00 H +ATOM 3685 N SER B 180 3.539 -55.618 27.764 1.00 57.02 N +ATOM 3686 CA SER B 180 4.407 -56.161 26.722 1.00 58.02 C +ATOM 3687 C SER B 180 5.897 -55.875 26.956 1.00 55.46 C +ATOM 3688 O SER B 180 6.450 -54.927 26.395 1.00 52.78 O +ATOM 3689 CB SER B 180 3.992 -55.605 25.348 1.00 65.68 C +ATOM 3690 OG SER B 180 2.620 -55.840 25.069 1.00 69.22 O +ATOM 3691 H SER B 180 2.819 -56.174 28.123 1.00 15.00 H +ATOM 3692 HG SER B 180 2.431 -55.491 24.195 1.00 15.00 H +ATOM 3693 N ASP B 183 6.539 -56.686 27.791 1.00 56.90 N +ATOM 3694 CA ASP B 183 7.968 -56.527 28.092 1.00 59.72 C +ATOM 3695 C ASP B 183 8.400 -55.218 28.773 1.00 52.50 C +ATOM 3696 O ASP B 183 9.527 -55.130 29.262 1.00 52.34 O +ATOM 3697 CB ASP B 183 8.823 -56.762 26.832 1.00 70.28 C +ATOM 3698 CG ASP B 183 9.197 -58.229 26.633 1.00 82.21 C +ATOM 3699 OD1 ASP B 183 9.228 -58.987 27.632 1.00 83.48 O +ATOM 3700 OD2 ASP B 183 9.485 -58.618 25.476 1.00 86.95 O +ATOM 3701 H ASP B 183 6.049 -57.404 28.238 1.00 15.00 H +ATOM 3702 N LEU B 184 7.536 -54.204 28.782 1.00 37.69 N +ATOM 3703 CA LEU B 184 7.860 -52.932 29.418 1.00 32.78 C +ATOM 3704 C LEU B 184 6.868 -52.597 30.541 1.00 29.27 C +ATOM 3705 O LEU B 184 5.724 -53.054 30.528 1.00 24.97 O +ATOM 3706 CB LEU B 184 7.919 -51.813 28.377 1.00 44.85 C +ATOM 3707 CG LEU B 184 9.215 -51.555 27.586 1.00 46.02 C +ATOM 3708 CD1 LEU B 184 10.234 -50.883 28.469 1.00 51.21 C +ATOM 3709 CD2 LEU B 184 9.783 -52.824 26.980 1.00 50.08 C +ATOM 3710 H LEU B 184 6.658 -54.251 28.354 1.00 15.00 H +ATOM 3711 N TYR B 185 7.322 -51.824 31.524 1.00 20.04 N +ATOM 3712 CA TYR B 185 6.502 -51.458 32.679 1.00 26.09 C +ATOM 3713 C TYR B 185 5.956 -50.041 32.646 1.00 25.38 C +ATOM 3714 O TYR B 185 6.439 -49.199 31.888 1.00 41.39 O +ATOM 3715 CB TYR B 185 7.324 -51.619 33.976 1.00 33.77 C +ATOM 3716 CG TYR B 185 7.383 -53.033 34.520 1.00 36.69 C +ATOM 3717 CD1 TYR B 185 6.276 -53.593 35.153 1.00 37.90 C +ATOM 3718 CD2 TYR B 185 8.520 -53.831 34.356 1.00 33.23 C +ATOM 3719 CE1 TYR B 185 6.288 -54.907 35.601 1.00 42.73 C +ATOM 3720 CE2 TYR B 185 8.543 -55.157 34.806 1.00 31.07 C +ATOM 3721 CZ TYR B 185 7.418 -55.689 35.425 1.00 39.88 C +ATOM 3722 OH TYR B 185 7.386 -57.005 35.850 1.00 45.52 O +ATOM 3723 H TYR B 185 8.248 -51.520 31.483 1.00 15.00 H +ATOM 3724 HH TYR B 185 8.180 -57.475 35.589 1.00 15.00 H +ATOM 3725 N THR B 186 4.980 -49.774 33.505 1.00 14.77 N +ATOM 3726 CA THR B 186 4.398 -48.445 33.634 1.00 9.64 C +ATOM 3727 C THR B 186 3.958 -48.305 35.062 1.00 5.09 C +ATOM 3728 O THR B 186 3.319 -49.199 35.609 1.00 8.91 O +ATOM 3729 CB THR B 186 3.177 -48.245 32.737 1.00 21.64 C +ATOM 3730 OG1 THR B 186 3.594 -48.248 31.369 1.00 44.31 O +ATOM 3731 CG2 THR B 186 2.477 -46.916 33.053 1.00 23.15 C +ATOM 3732 H THR B 186 4.622 -50.493 34.064 1.00 15.00 H +ATOM 3733 HG1 THR B 186 2.812 -48.279 30.807 1.00 15.00 H +ATOM 3734 N LEU B 187 4.260 -47.160 35.648 1.00 8.13 N +ATOM 3735 CA LEU B 187 3.912 -46.894 37.026 1.00 11.70 C +ATOM 3736 C LEU B 187 3.579 -45.422 37.125 1.00 14.24 C +ATOM 3737 O LEU B 187 4.192 -44.596 36.443 1.00 22.01 O +ATOM 3738 CB LEU B 187 5.132 -47.190 37.907 1.00 23.51 C +ATOM 3739 CG LEU B 187 5.160 -47.234 39.442 1.00 21.77 C +ATOM 3740 CD1 LEU B 187 6.618 -47.269 39.828 1.00 18.82 C +ATOM 3741 CD2 LEU B 187 4.514 -46.021 40.109 1.00 28.59 C +ATOM 3742 H LEU B 187 4.719 -46.455 35.151 1.00 15.00 H +ATOM 3743 N SER B 188 2.642 -45.093 38.002 1.00 10.35 N +ATOM 3744 CA SER B 188 2.254 -43.719 38.215 1.00 10.76 C +ATOM 3745 C SER B 188 2.140 -43.496 39.709 1.00 10.25 C +ATOM 3746 O SER B 188 1.967 -44.439 40.467 1.00 17.08 O +ATOM 3747 CB SER B 188 0.912 -43.445 37.532 1.00 26.52 C +ATOM 3748 OG SER B 188 -0.072 -44.403 37.896 1.00 28.94 O +ATOM 3749 H SER B 188 2.176 -45.770 38.536 1.00 15.00 H +ATOM 3750 HG SER B 188 -0.907 -44.214 37.439 1.00 15.00 H +ATOM 3751 N SER B 189 2.226 -42.248 40.131 1.00 9.02 N +ATOM 3752 CA SER B 189 2.112 -41.913 41.531 1.00 7.51 C +ATOM 3753 C SER B 189 1.343 -40.604 41.588 1.00 8.98 C +ATOM 3754 O SER B 189 1.563 -39.729 40.745 1.00 16.66 O +ATOM 3755 CB SER B 189 3.503 -41.742 42.119 1.00 12.96 C +ATOM 3756 OG SER B 189 3.435 -41.267 43.444 1.00 31.61 O +ATOM 3757 H SER B 189 2.381 -41.520 39.492 1.00 15.00 H +ATOM 3758 HG SER B 189 3.036 -41.957 43.992 1.00 15.00 H +ATOM 3759 N SER B 190 0.423 -40.485 42.541 1.00 9.06 N +ATOM 3760 CA SER B 190 -0.393 -39.282 42.706 1.00 8.42 C +ATOM 3761 C SER B 190 -0.201 -38.713 44.095 1.00 20.69 C +ATOM 3762 O SER B 190 -0.293 -39.429 45.097 1.00 31.69 O +ATOM 3763 CB SER B 190 -1.876 -39.599 42.517 1.00 27.06 C +ATOM 3764 OG SER B 190 -2.442 -40.277 43.640 1.00 20.45 O +ATOM 3765 H SER B 190 0.287 -41.212 43.184 1.00 15.00 H +ATOM 3766 HG SER B 190 -3.292 -40.664 43.387 1.00 15.00 H +ATOM 3767 N VAL B 191 0.006 -37.413 44.162 1.00 23.00 N +ATOM 3768 CA VAL B 191 0.217 -36.764 45.436 1.00 20.49 C +ATOM 3769 C VAL B 191 -0.851 -35.691 45.609 1.00 15.72 C +ATOM 3770 O VAL B 191 -1.222 -35.015 44.660 1.00 24.82 O +ATOM 3771 CB VAL B 191 1.658 -36.203 45.498 1.00 18.09 C +ATOM 3772 CG1 VAL B 191 1.966 -35.389 44.257 1.00 17.42 C +ATOM 3773 CG2 VAL B 191 1.868 -35.402 46.745 1.00 21.13 C +ATOM 3774 H VAL B 191 -0.008 -36.874 43.351 1.00 15.00 H +ATOM 3775 N THR B 192 -1.356 -35.543 46.818 1.00 13.18 N +ATOM 3776 CA THR B 192 -2.396 -34.563 47.073 1.00 14.60 C +ATOM 3777 C THR B 192 -2.068 -33.525 48.157 1.00 18.19 C +ATOM 3778 O THR B 192 -2.147 -33.802 49.353 1.00 25.08 O +ATOM 3779 CB THR B 192 -3.647 -35.292 47.417 1.00 10.30 C +ATOM 3780 OG1 THR B 192 -3.696 -36.499 46.639 1.00 19.72 O +ATOM 3781 CG2 THR B 192 -4.819 -34.437 47.107 1.00 3.77 C +ATOM 3782 H THR B 192 -1.030 -36.086 47.567 1.00 15.00 H +ATOM 3783 HG1 THR B 192 -2.944 -37.039 46.911 1.00 15.00 H +ATOM 3784 N VAL B 193 -1.752 -32.314 47.714 1.00 17.13 N +ATOM 3785 CA VAL B 193 -1.381 -31.201 48.589 1.00 18.28 C +ATOM 3786 C VAL B 193 -2.546 -30.456 49.251 1.00 24.16 C +ATOM 3787 O VAL B 193 -3.653 -30.396 48.720 1.00 34.53 O +ATOM 3788 CB VAL B 193 -0.566 -30.143 47.793 1.00 16.87 C +ATOM 3789 CG1 VAL B 193 -0.064 -29.041 48.714 1.00 19.47 C +ATOM 3790 CG2 VAL B 193 0.594 -30.789 47.062 1.00 18.07 C +ATOM 3791 H VAL B 193 -1.785 -32.144 46.751 1.00 15.00 H +ATOM 3792 N THR B 194 -2.258 -29.832 50.384 1.00 27.59 N +ATOM 3793 CA THR B 194 -3.232 -29.049 51.115 1.00 35.78 C +ATOM 3794 C THR B 194 -2.587 -27.710 51.484 1.00 48.61 C +ATOM 3795 O THR B 194 -1.390 -27.648 51.836 1.00 40.27 O +ATOM 3796 CB THR B 194 -3.685 -29.785 52.371 1.00 34.76 C +ATOM 3797 OG1 THR B 194 -4.280 -31.034 51.997 1.00 39.89 O +ATOM 3798 CG2 THR B 194 -4.685 -28.954 53.138 1.00 40.48 C +ATOM 3799 H THR B 194 -1.359 -29.907 50.758 1.00 15.00 H +ATOM 3800 HG1 THR B 194 -4.765 -30.900 51.176 1.00 15.00 H +ATOM 3801 N SER B 195 -3.386 -26.648 51.364 1.00 62.00 N +ATOM 3802 CA SER B 195 -2.985 -25.263 51.646 1.00 72.34 C +ATOM 3803 C SER B 195 -2.332 -24.604 50.429 1.00 73.62 C +ATOM 3804 O SER B 195 -1.694 -25.269 49.609 1.00 70.81 O +ATOM 3805 CB SER B 195 -2.048 -25.183 52.861 1.00 77.86 C +ATOM 3806 OG SER B 195 -1.784 -23.842 53.247 1.00 84.42 O +ATOM 3807 H SER B 195 -4.294 -26.807 51.030 1.00 15.00 H +ATOM 3808 HG SER B 195 -1.260 -23.372 52.588 1.00 15.00 H +ATOM 3809 N SER B 196 -2.521 -23.295 50.307 1.00 75.39 N +ATOM 3810 CA SER B 196 -1.961 -22.523 49.206 1.00 80.29 C +ATOM 3811 C SER B 196 -0.439 -22.644 49.286 1.00 75.15 C +ATOM 3812 O SER B 196 0.247 -21.700 49.688 1.00 81.90 O +ATOM 3813 CB SER B 196 -2.379 -21.049 49.347 1.00 87.25 C +ATOM 3814 OG SER B 196 -3.694 -20.925 49.875 1.00 92.66 O +ATOM 3815 H SER B 196 -3.066 -22.797 50.954 1.00 15.00 H +ATOM 3816 HG SER B 196 -3.914 -19.989 49.907 1.00 15.00 H +ATOM 3817 N THR B 198 0.099 -23.794 48.897 1.00 64.62 N +ATOM 3818 CA THR B 198 1.536 -23.978 48.996 1.00 59.81 C +ATOM 3819 C THR B 198 2.266 -24.452 47.751 1.00 52.67 C +ATOM 3820 O THR B 198 3.461 -24.188 47.620 1.00 43.78 O +ATOM 3821 CB THR B 198 1.916 -24.929 50.176 1.00 60.75 C +ATOM 3822 OG1 THR B 198 1.441 -26.255 49.916 1.00 64.63 O +ATOM 3823 CG2 THR B 198 1.312 -24.446 51.483 1.00 61.91 C +ATOM 3824 H THR B 198 -0.452 -24.509 48.528 1.00 15.00 H +ATOM 3825 HG1 THR B 198 0.478 -26.270 50.065 1.00 15.00 H +ATOM 3826 N TRP B 199 1.575 -25.117 46.827 1.00 50.28 N +ATOM 3827 CA TRP B 199 2.270 -25.633 45.648 1.00 54.61 C +ATOM 3828 C TRP B 199 2.808 -24.697 44.574 1.00 62.92 C +ATOM 3829 O TRP B 199 3.995 -24.755 44.251 1.00 68.81 O +ATOM 3830 CB TRP B 199 1.511 -26.767 44.966 1.00 41.90 C +ATOM 3831 CG TRP B 199 2.156 -27.146 43.648 1.00 39.16 C +ATOM 3832 CD1 TRP B 199 3.472 -27.474 43.432 1.00 45.64 C +ATOM 3833 CD2 TRP B 199 1.539 -27.123 42.363 1.00 45.63 C +ATOM 3834 NE1 TRP B 199 3.710 -27.637 42.090 1.00 40.42 N +ATOM 3835 CE2 TRP B 199 2.540 -27.431 41.411 1.00 47.89 C +ATOM 3836 CE3 TRP B 199 0.234 -26.868 41.918 1.00 45.98 C +ATOM 3837 CZ2 TRP B 199 2.275 -27.491 40.045 1.00 49.09 C +ATOM 3838 CZ3 TRP B 199 -0.030 -26.928 40.561 1.00 40.10 C +ATOM 3839 CH2 TRP B 199 0.985 -27.238 39.640 1.00 49.59 C +ATOM 3840 H TRP B 199 0.618 -25.272 46.935 1.00 15.00 H +ATOM 3841 HE1 TRP B 199 4.576 -27.840 41.674 1.00 15.00 H +ATOM 3842 N PRO B 200 1.939 -23.897 43.937 1.00 62.68 N +ATOM 3843 CA PRO B 200 2.471 -23.007 42.898 1.00 59.34 C +ATOM 3844 C PRO B 200 3.742 -22.284 43.379 1.00 61.85 C +ATOM 3845 O PRO B 200 4.733 -22.196 42.648 1.00 59.27 O +ATOM 3846 CB PRO B 200 1.312 -22.049 42.657 1.00 61.68 C +ATOM 3847 CG PRO B 200 0.109 -22.901 42.950 1.00 63.92 C +ATOM 3848 CD PRO B 200 0.517 -23.621 44.202 1.00 56.35 C +ATOM 3849 N SER B 202 3.709 -21.828 44.632 1.00 61.18 N +ATOM 3850 CA SER B 202 4.829 -21.139 45.263 1.00 57.72 C +ATOM 3851 C SER B 202 5.976 -22.123 45.543 1.00 59.19 C +ATOM 3852 O SER B 202 6.990 -22.111 44.841 1.00 58.00 O +ATOM 3853 CB SER B 202 4.357 -20.453 46.557 1.00 61.60 C +ATOM 3854 OG SER B 202 3.414 -21.246 47.271 1.00 59.64 O +ATOM 3855 H SER B 202 2.931 -21.980 45.198 1.00 15.00 H +ATOM 3856 HG SER B 202 3.118 -20.765 48.055 1.00 15.00 H +ATOM 3857 N GLN B 203 5.822 -22.966 46.566 1.00 54.96 N +ATOM 3858 CA GLN B 203 6.851 -23.953 46.894 1.00 49.06 C +ATOM 3859 C GLN B 203 6.792 -25.089 45.874 1.00 43.04 C +ATOM 3860 O GLN B 203 5.793 -25.800 45.773 1.00 41.81 O +ATOM 3861 CB GLN B 203 6.659 -24.530 48.304 1.00 56.87 C +ATOM 3862 CG GLN B 203 7.542 -23.939 49.400 1.00 62.29 C +ATOM 3863 CD GLN B 203 6.834 -22.891 50.255 1.00 69.14 C +ATOM 3864 OE1 GLN B 203 7.480 -22.172 51.018 1.00 75.23 O +ATOM 3865 NE2 GLN B 203 5.510 -22.799 50.132 1.00 61.17 N +ATOM 3866 H GLN B 203 4.970 -22.961 47.050 1.00 15.00 H +ATOM 3867 HE21 GLN B 203 5.103 -22.142 50.733 1.00 15.00 H +ATOM 3868 HE22 GLN B 203 4.990 -23.348 49.514 1.00 15.00 H +ATOM 3869 N SER B 204 7.896 -25.290 45.172 1.00 33.48 N +ATOM 3870 CA SER B 204 8.021 -26.320 44.149 1.00 30.46 C +ATOM 3871 C SER B 204 7.713 -27.758 44.587 1.00 31.46 C +ATOM 3872 O SER B 204 7.510 -28.034 45.773 1.00 36.80 O +ATOM 3873 CB SER B 204 9.439 -26.256 43.577 1.00 36.30 C +ATOM 3874 OG SER B 204 10.386 -25.976 44.604 1.00 48.65 O +ATOM 3875 H SER B 204 8.678 -24.727 45.333 1.00 15.00 H +ATOM 3876 HG SER B 204 11.277 -25.921 44.244 1.00 15.00 H +ATOM 3877 N ILE B 205 7.663 -28.661 43.606 1.00 25.28 N +ATOM 3878 CA ILE B 205 7.439 -30.087 43.825 1.00 14.45 C +ATOM 3879 C ILE B 205 8.044 -30.798 42.651 1.00 16.55 C +ATOM 3880 O ILE B 205 7.813 -30.403 41.518 1.00 24.64 O +ATOM 3881 CB ILE B 205 5.969 -30.467 43.843 1.00 5.11 C +ATOM 3882 CG1 ILE B 205 5.331 -30.003 45.141 1.00 13.06 C +ATOM 3883 CG2 ILE B 205 5.825 -31.973 43.714 1.00 2.00 C +ATOM 3884 CD1 ILE B 205 3.901 -30.438 45.297 1.00 34.01 C +ATOM 3885 H ILE B 205 7.750 -28.372 42.677 1.00 15.00 H +ATOM 3886 N THR B 206 8.828 -31.833 42.903 1.00 16.54 N +ATOM 3887 CA THR B 206 9.435 -32.563 41.806 1.00 23.20 C +ATOM 3888 C THR B 206 9.169 -34.025 41.995 1.00 26.38 C +ATOM 3889 O THR B 206 8.953 -34.484 43.113 1.00 32.90 O +ATOM 3890 CB THR B 206 10.930 -32.393 41.772 1.00 26.35 C +ATOM 3891 OG1 THR B 206 11.488 -32.979 42.954 1.00 49.34 O +ATOM 3892 CG2 THR B 206 11.291 -30.919 41.722 1.00 42.57 C +ATOM 3893 H THR B 206 8.985 -32.151 43.813 1.00 15.00 H +ATOM 3894 HG1 THR B 206 12.445 -33.063 42.808 1.00 15.00 H +ATOM 3895 N CYS B 208 9.166 -34.744 40.885 1.00 27.15 N +ATOM 3896 CA CYS B 208 8.942 -36.175 40.866 1.00 26.35 C +ATOM 3897 C CYS B 208 10.356 -36.743 40.759 1.00 30.71 C +ATOM 3898 O CYS B 208 11.115 -36.337 39.880 1.00 40.14 O +ATOM 3899 CB CYS B 208 8.080 -36.518 39.642 1.00 24.39 C +ATOM 3900 SG CYS B 208 7.898 -38.268 39.153 1.00 39.38 S +ATOM 3901 H CYS B 208 9.327 -34.310 40.022 1.00 15.00 H +ATOM 3902 N ASN B 209 10.754 -37.568 41.726 1.00 31.73 N +ATOM 3903 CA ASN B 209 12.090 -38.167 41.725 1.00 24.70 C +ATOM 3904 C ASN B 209 11.952 -39.670 41.486 1.00 28.18 C +ATOM 3905 O ASN B 209 11.263 -40.382 42.232 1.00 30.84 O +ATOM 3906 CB ASN B 209 12.817 -37.884 43.041 1.00 20.25 C +ATOM 3907 CG ASN B 209 12.713 -36.434 43.465 1.00 21.34 C +ATOM 3908 OD1 ASN B 209 13.613 -35.637 43.236 1.00 28.21 O +ATOM 3909 ND2 ASN B 209 11.609 -36.088 44.101 1.00 28.26 N +ATOM 3910 H ASN B 209 10.136 -37.816 42.443 1.00 15.00 H +ATOM 3911 HD21 ASN B 209 11.518 -35.136 44.297 1.00 15.00 H +ATOM 3912 HD22 ASN B 209 10.950 -36.777 44.295 1.00 15.00 H +ATOM 3913 N VAL B 210 12.591 -40.140 40.423 1.00 23.94 N +ATOM 3914 CA VAL B 210 12.533 -41.540 40.027 1.00 23.56 C +ATOM 3915 C VAL B 210 13.925 -42.060 39.710 1.00 21.69 C +ATOM 3916 O VAL B 210 14.704 -41.385 39.039 1.00 18.41 O +ATOM 3917 CB VAL B 210 11.640 -41.693 38.770 1.00 26.26 C +ATOM 3918 CG1 VAL B 210 11.836 -43.061 38.108 1.00 32.49 C +ATOM 3919 CG2 VAL B 210 10.185 -41.479 39.146 1.00 29.82 C +ATOM 3920 H VAL B 210 13.139 -39.530 39.879 1.00 15.00 H +ATOM 3921 N ALA B 211 14.236 -43.258 40.191 1.00 20.94 N +ATOM 3922 CA ALA B 211 15.538 -43.851 39.932 1.00 24.22 C +ATOM 3923 C ALA B 211 15.347 -45.279 39.498 1.00 26.57 C +ATOM 3924 O ALA B 211 14.426 -45.960 39.962 1.00 35.32 O +ATOM 3925 CB ALA B 211 16.393 -43.803 41.166 1.00 28.47 C +ATOM 3926 H ALA B 211 13.572 -43.744 40.724 1.00 15.00 H +ATOM 3927 N HIS B 212 16.182 -45.711 38.566 1.00 26.41 N +ATOM 3928 CA HIS B 212 16.125 -47.068 38.068 1.00 34.23 C +ATOM 3929 C HIS B 212 17.522 -47.644 38.187 1.00 47.55 C +ATOM 3930 O HIS B 212 18.479 -47.114 37.609 1.00 42.81 O +ATOM 3931 CB HIS B 212 15.680 -47.117 36.614 1.00 24.63 C +ATOM 3932 CG HIS B 212 15.328 -48.494 36.147 1.00 22.50 C +ATOM 3933 ND1 HIS B 212 16.085 -49.189 35.233 1.00 29.97 N +ATOM 3934 CD2 HIS B 212 14.299 -49.310 36.477 1.00 28.01 C +ATOM 3935 CE1 HIS B 212 15.539 -50.373 35.016 1.00 32.84 C +ATOM 3936 NE2 HIS B 212 14.454 -50.472 35.760 1.00 31.85 N +ATOM 3937 H HIS B 212 16.862 -45.092 38.227 1.00 15.00 H +ATOM 3938 HD1 HIS B 212 16.860 -48.851 34.743 1.00 15.00 H +ATOM 3939 HE2 HIS B 212 13.866 -51.258 35.838 1.00 15.00 H +ATOM 3940 N PRO B 213 17.663 -48.714 38.983 1.00 55.12 N +ATOM 3941 CA PRO B 213 18.927 -49.405 39.224 1.00 53.03 C +ATOM 3942 C PRO B 213 19.574 -50.017 37.992 1.00 47.35 C +ATOM 3943 O PRO B 213 20.627 -49.558 37.568 1.00 51.75 O +ATOM 3944 CB PRO B 213 18.536 -50.465 40.250 1.00 61.66 C +ATOM 3945 CG PRO B 213 17.492 -49.767 41.040 1.00 57.16 C +ATOM 3946 CD PRO B 213 16.643 -49.182 39.939 1.00 59.78 C +ATOM 3947 N ALA B 214 18.912 -50.993 37.379 1.00 40.12 N +ATOM 3948 CA ALA B 214 19.466 -51.685 36.218 1.00 44.38 C +ATOM 3949 C ALA B 214 19.962 -50.804 35.075 1.00 53.89 C +ATOM 3950 O ALA B 214 20.685 -51.279 34.199 1.00 58.72 O +ATOM 3951 CB ALA B 214 18.487 -52.710 35.705 1.00 38.31 C +ATOM 3952 H ALA B 214 18.045 -51.280 37.732 1.00 15.00 H +ATOM 3953 N SER B 215 19.594 -49.525 35.097 1.00 57.10 N +ATOM 3954 CA SER B 215 20.003 -48.595 34.055 1.00 57.27 C +ATOM 3955 C SER B 215 20.679 -47.353 34.620 1.00 60.22 C +ATOM 3956 O SER B 215 21.025 -46.438 33.870 1.00 65.69 O +ATOM 3957 CB SER B 215 18.786 -48.171 33.246 1.00 55.04 C +ATOM 3958 OG SER B 215 17.850 -47.505 34.077 1.00 58.72 O +ATOM 3959 H SER B 215 19.070 -49.153 35.823 1.00 15.00 H +ATOM 3960 HG SER B 215 18.165 -46.587 34.109 1.00 15.00 H +ATOM 3961 N SER B 216 20.798 -47.295 35.943 1.00 60.36 N +ATOM 3962 CA SER B 216 21.423 -46.168 36.625 1.00 66.14 C +ATOM 3963 C SER B 216 20.853 -44.848 36.105 1.00 66.41 C +ATOM 3964 O SER B 216 21.563 -43.998 35.553 1.00 63.97 O +ATOM 3965 CB SER B 216 22.933 -46.239 36.433 1.00 73.30 C +ATOM 3966 OG SER B 216 23.383 -47.572 36.623 1.00 86.33 O +ATOM 3967 H SER B 216 20.497 -48.039 36.482 1.00 15.00 H +ATOM 3968 HG SER B 216 23.052 -47.929 37.451 1.00 15.00 H +ATOM 3969 N THR B 217 19.553 -44.681 36.288 1.00 62.64 N +ATOM 3970 CA THR B 217 18.896 -43.485 35.811 1.00 60.15 C +ATOM 3971 C THR B 217 18.170 -42.768 36.944 1.00 57.42 C +ATOM 3972 O THR B 217 17.268 -43.316 37.574 1.00 53.16 O +ATOM 3973 CB THR B 217 17.925 -43.838 34.655 1.00 60.84 C +ATOM 3974 OG1 THR B 217 18.521 -44.855 33.835 1.00 50.08 O +ATOM 3975 CG2 THR B 217 17.642 -42.615 33.784 1.00 61.35 C +ATOM 3976 H THR B 217 19.037 -45.373 36.749 1.00 15.00 H +ATOM 3977 HG1 THR B 217 19.436 -44.616 33.605 1.00 15.00 H +ATOM 3978 N LYS B 218 18.644 -41.572 37.254 1.00 57.46 N +ATOM 3979 CA LYS B 218 18.043 -40.755 38.289 1.00 67.48 C +ATOM 3980 C LYS B 218 17.521 -39.528 37.566 1.00 68.78 C +ATOM 3981 O LYS B 218 18.303 -38.773 36.983 1.00 74.01 O +ATOM 3982 CB LYS B 218 19.081 -40.320 39.330 1.00 79.10 C +ATOM 3983 CG LYS B 218 19.788 -41.454 40.060 1.00 96.06 C +ATOM 3984 CD LYS B 218 20.368 -40.987 41.404 1.00104.12 C +ATOM 3985 CE LYS B 218 21.380 -39.854 41.256 1.00107.19 C +ATOM 3986 NZ LYS B 218 21.911 -39.410 42.581 1.00108.57 N +ATOM 3987 H LYS B 218 19.406 -41.196 36.766 1.00 15.00 H +ATOM 3988 HZ1 LYS B 218 22.368 -40.217 43.051 1.00 15.00 H +ATOM 3989 HZ2 LYS B 218 22.606 -38.650 42.440 1.00 15.00 H +ATOM 3990 HZ3 LYS B 218 21.126 -39.062 43.169 1.00 15.00 H +ATOM 3991 N VAL B 219 16.203 -39.359 37.553 1.00 65.96 N +ATOM 3992 CA VAL B 219 15.575 -38.220 36.891 1.00 58.62 C +ATOM 3993 C VAL B 219 14.681 -37.480 37.880 1.00 54.07 C +ATOM 3994 O VAL B 219 14.012 -38.098 38.711 1.00 53.56 O +ATOM 3995 CB VAL B 219 14.717 -38.664 35.678 1.00 56.60 C +ATOM 3996 CG1 VAL B 219 14.109 -37.457 34.996 1.00 57.62 C +ATOM 3997 CG2 VAL B 219 15.557 -39.452 34.687 1.00 60.39 C +ATOM 3998 H VAL B 219 15.624 -39.995 38.030 1.00 15.00 H +ATOM 3999 N ASP B 220 14.687 -36.156 37.798 1.00 50.62 N +ATOM 4000 CA ASP B 220 13.869 -35.332 38.680 1.00 52.40 C +ATOM 4001 C ASP B 220 13.063 -34.366 37.818 1.00 48.42 C +ATOM 4002 O ASP B 220 13.574 -33.337 37.368 1.00 55.57 O +ATOM 4003 CB ASP B 220 14.752 -34.556 39.666 1.00 55.35 C +ATOM 4004 CG ASP B 220 15.725 -35.453 40.408 1.00 62.13 C +ATOM 4005 OD1 ASP B 220 15.274 -36.411 41.076 1.00 66.86 O +ATOM 4006 OD2 ASP B 220 16.946 -35.208 40.306 1.00 66.27 O +ATOM 4007 H ASP B 220 15.241 -35.700 37.133 1.00 15.00 H +ATOM 4008 N LYS B 221 11.813 -34.722 37.556 1.00 33.03 N +ATOM 4009 CA LYS B 221 10.949 -33.895 36.742 1.00 23.55 C +ATOM 4010 C LYS B 221 10.179 -32.924 37.609 1.00 17.62 C +ATOM 4011 O LYS B 221 9.327 -33.328 38.393 1.00 10.57 O +ATOM 4012 CB LYS B 221 9.977 -34.774 35.954 1.00 24.87 C +ATOM 4013 CG LYS B 221 10.117 -34.677 34.432 1.00 26.27 C +ATOM 4014 CD LYS B 221 11.500 -35.063 33.946 1.00 20.55 C +ATOM 4015 CE LYS B 221 11.580 -34.924 32.435 1.00 33.66 C +ATOM 4016 NZ LYS B 221 12.859 -35.426 31.851 1.00 42.79 N +ATOM 4017 H LYS B 221 11.467 -35.548 37.959 1.00 15.00 H +ATOM 4018 HZ1 LYS B 221 13.663 -34.909 32.260 1.00 15.00 H +ATOM 4019 HZ2 LYS B 221 12.958 -36.437 32.073 1.00 15.00 H +ATOM 4020 HZ3 LYS B 221 12.853 -35.304 30.819 1.00 15.00 H +ATOM 4021 N LYS B 222 10.540 -31.651 37.539 1.00 22.91 N +ATOM 4022 CA LYS B 222 9.818 -30.649 38.308 1.00 34.01 C +ATOM 4023 C LYS B 222 8.427 -30.540 37.690 1.00 31.70 C +ATOM 4024 O LYS B 222 8.280 -30.517 36.470 1.00 41.96 O +ATOM 4025 CB LYS B 222 10.511 -29.284 38.228 1.00 37.31 C +ATOM 4026 CG LYS B 222 9.675 -28.146 38.805 1.00 46.02 C +ATOM 4027 CD LYS B 222 10.238 -26.776 38.449 1.00 59.27 C +ATOM 4028 CE LYS B 222 9.309 -25.669 38.943 1.00 68.35 C +ATOM 4029 NZ LYS B 222 9.784 -24.304 38.581 1.00 76.20 N +ATOM 4030 H LYS B 222 11.283 -31.395 36.956 1.00 15.00 H +ATOM 4031 HZ1 LYS B 222 10.736 -24.153 38.972 1.00 15.00 H +ATOM 4032 HZ2 LYS B 222 9.811 -24.219 37.544 1.00 15.00 H +ATOM 4033 HZ3 LYS B 222 9.126 -23.600 38.973 1.00 15.00 H +ATOM 4034 N ILE B 223 7.409 -30.526 38.527 1.00 27.85 N +ATOM 4035 CA ILE B 223 6.047 -30.401 38.049 1.00 23.69 C +ATOM 4036 C ILE B 223 5.701 -28.917 37.961 1.00 27.44 C +ATOM 4037 O ILE B 223 5.457 -28.248 38.965 1.00 35.16 O +ATOM 4038 CB ILE B 223 5.068 -31.150 38.980 1.00 23.04 C +ATOM 4039 CG1 ILE B 223 4.942 -32.605 38.531 1.00 21.67 C +ATOM 4040 CG2 ILE B 223 3.714 -30.447 39.051 1.00 6.84 C +ATOM 4041 CD1 ILE B 223 6.230 -33.375 38.573 1.00 36.03 C +ATOM 4042 H ILE B 223 7.565 -30.572 39.493 1.00 15.00 H +ATOM 4043 N GLU B 226 5.755 -28.393 36.750 1.00 34.31 N +ATOM 4044 CA GLU B 226 5.446 -26.992 36.494 1.00 37.97 C +ATOM 4045 C GLU B 226 3.994 -26.934 36.040 1.00 35.28 C +ATOM 4046 O GLU B 226 3.508 -27.869 35.397 1.00 30.13 O +ATOM 4047 CB GLU B 226 6.409 -26.439 35.440 1.00 37.70 C +ATOM 4048 CG GLU B 226 7.836 -26.931 35.678 1.00 55.68 C +ATOM 4049 CD GLU B 226 8.893 -26.175 34.908 1.00 61.56 C +ATOM 4050 OE1 GLU B 226 9.100 -24.979 35.225 1.00 63.47 O +ATOM 4051 OE2 GLU B 226 9.532 -26.791 34.016 1.00 58.02 O +ATOM 4052 H GLU B 226 6.007 -28.970 36.000 1.00 15.00 H +ATOM 4053 N PRO B 227 3.267 -25.865 36.414 1.00 37.76 N +ATOM 4054 CA PRO B 227 1.858 -25.693 36.051 1.00 37.46 C +ATOM 4055 C PRO B 227 1.587 -25.632 34.566 1.00 41.37 C +ATOM 4056 O PRO B 227 2.441 -25.262 33.761 1.00 39.20 O +ATOM 4057 CB PRO B 227 1.462 -24.408 36.772 1.00 33.97 C +ATOM 4058 CG PRO B 227 2.729 -23.646 36.810 1.00 50.46 C +ATOM 4059 CD PRO B 227 3.746 -24.702 37.177 1.00 48.20 C +ATOM 4060 N ARG B 228 0.378 -26.032 34.218 1.00 51.18 N +ATOM 4061 CA ARG B 228 -0.048 -26.069 32.841 1.00 59.67 C +ATOM 4062 C ARG B 228 -0.251 -24.621 32.365 1.00 70.51 C +ATOM 4063 O ARG B 228 -0.919 -23.826 33.033 1.00 71.57 O +ATOM 4064 CB ARG B 228 -1.338 -26.898 32.755 1.00 50.48 C +ATOM 4065 CG ARG B 228 -1.524 -27.686 31.471 1.00 50.25 C +ATOM 4066 CD ARG B 228 -0.659 -28.928 31.386 1.00 43.95 C +ATOM 4067 NE ARG B 228 -1.275 -30.072 32.057 1.00 54.98 N +ATOM 4068 CZ ARG B 228 -1.026 -31.349 31.760 1.00 61.30 C +ATOM 4069 NH1 ARG B 228 -0.173 -31.666 30.789 1.00 66.78 N +ATOM 4070 NH2 ARG B 228 -1.599 -32.319 32.464 1.00 58.72 N +ATOM 4071 H ARG B 228 -0.260 -26.294 34.908 1.00 15.00 H +ATOM 4072 HE ARG B 228 -1.914 -29.892 32.778 1.00 15.00 H +ATOM 4073 HH11 ARG B 228 0.295 -30.952 30.270 1.00 15.00 H +ATOM 4074 HH12 ARG B 228 0.003 -32.629 30.580 1.00 15.00 H +ATOM 4075 HH21 ARG B 228 -2.222 -32.094 33.212 1.00 15.00 H +ATOM 4076 HH22 ARG B 228 -1.415 -33.275 32.239 1.00 15.00 H +ATOM 4077 N GLY B 229 0.421 -24.270 31.267 1.00 82.15 N +ATOM 4078 CA GLY B 229 0.319 -22.940 30.686 1.00 93.54 C +ATOM 4079 C GLY B 229 -0.219 -23.028 29.263 1.00105.42 C +ATOM 4080 O GLY B 229 0.139 -23.954 28.531 1.00107.73 O +ATOM 4081 H GLY B 229 0.996 -24.925 30.822 1.00 15.00 H +ATOM 4082 N PRO B 230 -1.059 -22.069 28.833 1.00112.23 N +ATOM 4083 CA PRO B 230 -1.699 -21.961 27.509 1.00117.36 C +ATOM 4084 C PRO B 230 -0.828 -22.209 26.261 1.00121.34 C +ATOM 4085 O PRO B 230 0.385 -21.989 26.282 1.00120.21 O +ATOM 4086 CB PRO B 230 -2.265 -20.544 27.532 1.00117.45 C +ATOM 4087 CG PRO B 230 -2.651 -20.379 28.969 1.00114.69 C +ATOM 4088 CD PRO B 230 -1.439 -20.927 29.685 1.00113.60 C +ATOM 4089 N THR B 231 -1.480 -22.619 25.168 1.00127.04 N +ATOM 4090 CA THR B 231 -0.824 -22.929 23.883 1.00130.84 C +ATOM 4091 C THR B 231 -0.733 -21.729 22.920 1.00132.05 C +ATOM 4092 O THR B 231 -1.564 -21.591 22.019 1.00134.12 O +ATOM 4093 CB THR B 231 -1.581 -24.082 23.135 1.00131.95 C +ATOM 4094 OG1 THR B 231 -1.872 -25.148 24.047 1.00132.80 O +ATOM 4095 CG2 THR B 231 -0.743 -24.631 21.973 1.00127.06 C +ATOM 4096 H THR B 231 -2.451 -22.752 25.219 1.00 15.00 H +ATOM 4097 HG1 THR B 231 -1.075 -25.524 24.430 1.00 15.00 H +ATOM 4098 N ILE B 232 0.296 -20.895 23.078 1.00132.29 N +ATOM 4099 CA ILE B 232 0.490 -19.711 22.223 1.00132.21 C +ATOM 4100 C ILE B 232 1.913 -19.128 22.299 1.00132.09 C +ATOM 4101 O ILE B 232 2.405 -18.831 23.388 1.00132.40 O +ATOM 4102 CB ILE B 232 -0.522 -18.576 22.580 1.00133.12 C +ATOM 4103 CG1 ILE B 232 -0.879 -18.623 24.076 1.00128.93 C +ATOM 4104 CG2 ILE B 232 -1.747 -18.638 21.661 1.00133.15 C +ATOM 4105 CD1 ILE B 232 -1.843 -17.544 24.538 1.00127.46 C +ATOM 4106 H ILE B 232 0.943 -21.057 23.803 1.00 15.00 H +ATOM 4107 N LYS B 235 2.557 -18.938 21.145 1.00131.84 N +ATOM 4108 CA LYS B 235 3.922 -18.385 21.086 1.00132.94 C +ATOM 4109 C LYS B 235 4.019 -17.171 20.140 1.00133.94 C +ATOM 4110 O LYS B 235 3.410 -17.168 19.067 1.00134.31 O +ATOM 4111 CB LYS B 235 4.927 -19.471 20.663 1.00133.44 C +ATOM 4112 CG LYS B 235 5.175 -20.570 21.709 1.00130.32 C +ATOM 4113 CD LYS B 235 6.177 -20.144 22.786 1.00126.36 C +ATOM 4114 CE LYS B 235 7.611 -20.508 22.410 1.00122.87 C +ATOM 4115 NZ LYS B 235 7.818 -21.988 22.344 1.00120.24 N +ATOM 4116 H LYS B 235 2.108 -19.151 20.299 1.00 15.00 H +ATOM 4117 HZ1 LYS B 235 7.604 -22.411 23.270 1.00 15.00 H +ATOM 4118 HZ2 LYS B 235 7.183 -22.390 21.626 1.00 15.00 H +ATOM 4119 HZ3 LYS B 235 8.805 -22.192 22.087 1.00 15.00 H +ATOM 4120 N PRO B 236 4.773 -16.122 20.541 1.00135.39 N +ATOM 4121 CA PRO B 236 4.992 -14.866 19.797 1.00136.23 C +ATOM 4122 C PRO B 236 6.211 -14.667 18.848 1.00137.23 C +ATOM 4123 O PRO B 236 7.336 -15.068 19.160 1.00135.09 O +ATOM 4124 CB PRO B 236 5.014 -13.831 20.919 1.00136.31 C +ATOM 4125 CG PRO B 236 5.769 -14.558 21.992 1.00136.33 C +ATOM 4126 CD PRO B 236 5.169 -15.958 21.958 1.00136.17 C +ATOM 4127 N CYS B 237 5.955 -13.964 17.735 1.00139.09 N +ATOM 4128 CA CYS B 237 6.930 -13.581 16.684 1.00139.53 C +ATOM 4129 C CYS B 237 7.377 -14.570 15.582 1.00140.99 C +ATOM 4130 O CYS B 237 8.350 -15.306 15.756 1.00143.20 O +ATOM 4131 CB CYS B 237 8.159 -12.883 17.302 1.00136.76 C +ATOM 4132 SG CYS B 237 8.478 -11.204 16.647 1.00134.85 S +ATOM 4133 H CYS B 237 5.027 -13.690 17.611 1.00 15.00 H +ATOM 4134 N PRO B 238 6.663 -14.588 14.428 1.00140.79 N +ATOM 4135 CA PRO B 238 6.997 -15.483 13.303 1.00138.24 C +ATOM 4136 C PRO B 238 7.996 -14.987 12.208 1.00136.87 C +ATOM 4137 O PRO B 238 9.113 -15.508 12.128 1.00132.87 O +ATOM 4138 CB PRO B 238 5.615 -15.863 12.726 1.00136.54 C +ATOM 4139 CG PRO B 238 4.613 -15.425 13.796 1.00136.01 C +ATOM 4140 CD PRO B 238 5.252 -14.176 14.337 1.00138.11 C +ATOM 4141 N PRO B 239 7.619 -13.998 11.351 1.00138.57 N +ATOM 4142 CA PRO B 239 8.594 -13.574 10.330 1.00138.05 C +ATOM 4143 C PRO B 239 9.459 -12.340 10.645 1.00137.16 C +ATOM 4144 O PRO B 239 9.003 -11.391 11.293 1.00135.36 O +ATOM 4145 CB PRO B 239 7.699 -13.304 9.125 1.00136.22 C +ATOM 4146 CG PRO B 239 6.533 -12.601 9.768 1.00136.88 C +ATOM 4147 CD PRO B 239 6.303 -13.373 11.079 1.00138.41 C +ATOM 4148 N CYS B 240 10.688 -12.338 10.125 1.00136.44 N +ATOM 4149 CA CYS B 240 11.603 -11.212 10.324 1.00136.39 C +ATOM 4150 C CYS B 240 12.258 -10.756 9.012 1.00135.51 C +ATOM 4151 O CYS B 240 13.277 -10.075 9.021 1.00134.01 O +ATOM 4152 CB CYS B 240 12.677 -11.537 11.374 1.00138.97 C +ATOM 4153 SG CYS B 240 13.548 -10.062 12.027 1.00143.64 S +ATOM 4154 H CYS B 240 10.992 -13.113 9.611 1.00 15.00 H +ATOM 4155 N LYS B 241 11.640 -11.114 7.885 1.00135.85 N +ATOM 4156 CA LYS B 241 12.152 -10.722 6.571 1.00136.47 C +ATOM 4157 C LYS B 241 11.551 -9.327 6.244 1.00137.03 C +ATOM 4158 O LYS B 241 11.247 -9.010 5.098 1.00134.47 O +ATOM 4159 CB LYS B 241 11.751 -11.745 5.510 1.00136.21 C +ATOM 4160 CG LYS B 241 12.410 -11.554 4.142 1.00131.89 C +ATOM 4161 CD LYS B 241 12.028 -12.667 3.174 1.00127.22 C +ATOM 4162 CE LYS B 241 12.669 -12.463 1.809 1.00125.42 C +ATOM 4163 NZ LYS B 241 12.439 -13.627 0.912 1.00121.35 N +ATOM 4164 H LYS B 241 10.830 -11.651 7.927 1.00 15.00 H +ATOM 4165 HZ1 LYS B 241 11.418 -13.766 0.776 1.00 15.00 H +ATOM 4166 HZ2 LYS B 241 12.892 -13.445 -0.006 1.00 15.00 H +ATOM 4167 HZ3 LYS B 241 12.853 -14.479 1.342 1.00 15.00 H +ATOM 4168 N CYS B 242 11.410 -8.533 7.300 1.00139.10 N +ATOM 4169 CA CYS B 242 10.854 -7.176 7.272 1.00141.27 C +ATOM 4170 C CYS B 242 9.606 -6.947 6.443 1.00139.93 C +ATOM 4171 O CYS B 242 9.673 -6.875 5.204 1.00138.10 O +ATOM 4172 CB CYS B 242 11.930 -6.138 6.895 1.00144.37 C +ATOM 4173 SG CYS B 242 11.387 -4.407 7.059 1.00149.76 S +ATOM 4174 H CYS B 242 11.736 -8.807 8.165 1.00 15.00 H +ATOM 4175 N PRO B 243 8.409 -6.956 7.100 1.00139.72 N +ATOM 4176 CA PRO B 243 7.200 -6.672 6.324 1.00140.61 C +ATOM 4177 C PRO B 243 7.378 -5.227 5.872 1.00142.34 C +ATOM 4178 O PRO B 243 6.961 -4.280 6.566 1.00143.62 O +ATOM 4179 CB PRO B 243 6.048 -6.829 7.340 1.00137.38 C +ATOM 4180 CG PRO B 243 6.653 -7.261 8.624 1.00135.46 C +ATOM 4181 CD PRO B 243 8.148 -7.373 8.483 1.00136.41 C +ATOM 4182 N ALA B 244 8.115 -5.070 4.788 1.00142.40 N +ATOM 4183 CA ALA B 244 8.429 -3.756 4.229 1.00140.32 C +ATOM 4184 C ALA B 244 7.171 -3.313 3.494 1.00140.53 C +ATOM 4185 O ALA B 244 6.215 -4.099 3.424 1.00143.01 O +ATOM 4186 CB ALA B 244 9.624 -3.849 3.241 1.00136.79 C +ATOM 4187 H ALA B 244 8.366 -5.845 4.271 1.00 15.00 H +ATOM 4188 N PRO B 245 7.075 -2.042 3.063 1.00139.08 N +ATOM 4189 CA PRO B 245 5.888 -1.556 2.325 1.00135.74 C +ATOM 4190 C PRO B 245 5.911 -2.232 0.929 1.00131.37 C +ATOM 4191 O PRO B 245 5.869 -1.582 -0.111 1.00133.86 O +ATOM 4192 CB PRO B 245 6.076 -0.039 2.251 1.00136.48 C +ATOM 4193 CG PRO B 245 7.305 0.289 3.061 1.00138.18 C +ATOM 4194 CD PRO B 245 7.902 -0.949 3.620 1.00139.49 C +ATOM 4195 N ASN B 246 5.953 -3.554 1.001 1.00125.59 N +ATOM 4196 CA ASN B 246 6.042 -4.568 -0.044 1.00115.24 C +ATOM 4197 C ASN B 246 4.640 -5.138 -0.285 1.00117.41 C +ATOM 4198 O ASN B 246 3.676 -4.753 0.389 1.00120.39 O +ATOM 4199 CB ASN B 246 7.077 -5.656 0.455 1.00 96.55 C +ATOM 4200 CG ASN B 246 7.173 -6.894 -0.437 0.00 73.88 C +ATOM 4201 OD1 ASN B 246 7.694 -7.908 0.011 0.00 62.58 O +ATOM 4202 ND2 ASN B 246 6.753 -6.810 -1.694 0.00 62.66 N +ATOM 4203 H ASN B 246 5.738 -3.978 1.851 1.00 15.00 H +ATOM 4204 HD21 ASN B 246 6.574 -7.637 -2.205 1.00 15.00 H +ATOM 4205 HD22 ASN B 246 6.519 -5.973 -2.059 1.00 15.00 H +ATOM 4206 N LEU B 247 4.511 -6.013 -1.288 1.00116.82 N +ATOM 4207 CA LEU B 247 3.316 -6.723 -1.744 1.00112.10 C +ATOM 4208 C LEU B 247 3.686 -7.630 -2.939 1.00115.47 C +ATOM 4209 O LEU B 247 4.866 -7.802 -3.256 1.00120.45 O +ATOM 4210 CB LEU B 247 2.256 -5.695 -2.173 1.00 97.16 C +ATOM 4211 CG LEU B 247 0.920 -6.255 -2.621 0.00 73.21 C +ATOM 4212 CD1 LEU B 247 0.413 -7.223 -1.527 0.00 61.96 C +ATOM 4213 CD2 LEU B 247 -0.075 -5.156 -2.904 0.00 61.80 C +ATOM 4214 H LEU B 247 5.144 -6.337 -1.992 1.00 15.00 H +ATOM 4215 N LEU B 248 2.673 -8.235 -3.566 1.00114.60 N +ATOM 4216 CA LEU B 248 2.777 -9.123 -4.729 1.00111.15 C +ATOM 4217 C LEU B 248 2.070 -8.494 -5.939 1.00116.40 C +ATOM 4218 O LEU B 248 0.978 -7.916 -5.797 1.00120.09 O +ATOM 4219 CB LEU B 248 2.140 -10.475 -4.382 1.00 93.16 C +ATOM 4220 CG LEU B 248 2.769 -11.132 -3.158 0.00 70.21 C +ATOM 4221 CD1 LEU B 248 2.086 -12.467 -2.886 0.00 57.96 C +ATOM 4222 CD2 LEU B 248 4.267 -11.319 -3.403 0.00 58.11 C +ATOM 4223 H LEU B 248 1.783 -8.152 -3.265 1.00 15.00 H +ATOM 4224 N GLY B 249 2.688 -8.621 -7.112 1.00116.69 N +ATOM 4225 CA GLY B 249 2.123 -8.054 -8.327 1.00114.59 C +ATOM 4226 C GLY B 249 0.707 -8.499 -8.678 1.00109.46 C +ATOM 4227 O GLY B 249 -0.086 -7.710 -9.192 1.00115.37 O +ATOM 4228 H GLY B 249 3.544 -9.097 -7.133 1.00 15.00 H +ATOM 4229 N GLY B 250 0.394 -9.760 -8.399 1.00 96.75 N +ATOM 4230 CA GLY B 250 -0.920 -10.290 -8.710 1.00 76.21 C +ATOM 4231 C GLY B 250 -0.697 -11.434 -9.674 1.00 66.82 C +ATOM 4232 O GLY B 250 0.462 -11.796 -9.936 1.00 68.36 O +ATOM 4233 H GLY B 250 1.101 -10.352 -8.076 1.00 15.00 H +ATOM 4234 N PRO B 251 -1.764 -12.003 -10.254 1.00 52.04 N +ATOM 4235 CA PRO B 251 -1.570 -13.108 -11.188 1.00 41.79 C +ATOM 4236 C PRO B 251 -0.885 -12.676 -12.462 1.00 38.17 C +ATOM 4237 O PRO B 251 -0.938 -11.514 -12.850 1.00 45.65 O +ATOM 4238 CB PRO B 251 -2.993 -13.593 -11.450 1.00 24.91 C +ATOM 4239 CG PRO B 251 -3.768 -12.352 -11.379 1.00 35.32 C +ATOM 4240 CD PRO B 251 -3.193 -11.676 -10.144 1.00 43.84 C +ATOM 4241 N SER B 252 -0.215 -13.612 -13.101 1.00 30.28 N +ATOM 4242 CA SER B 252 0.477 -13.321 -14.324 1.00 24.97 C +ATOM 4243 C SER B 252 -0.049 -14.302 -15.344 1.00 26.99 C +ATOM 4244 O SER B 252 -0.517 -15.380 -14.978 1.00 33.97 O +ATOM 4245 CB SER B 252 1.978 -13.498 -14.120 1.00 24.79 C +ATOM 4246 OG SER B 252 2.446 -12.628 -13.105 1.00 36.70 O +ATOM 4247 H SER B 252 -0.225 -14.520 -12.765 1.00 15.00 H +ATOM 4248 HG SER B 252 1.901 -12.677 -12.309 1.00 15.00 H +ATOM 4249 N VAL B 253 -0.025 -13.908 -16.614 1.00 22.70 N +ATOM 4250 CA VAL B 253 -0.498 -14.757 -17.704 1.00 14.01 C +ATOM 4251 C VAL B 253 0.583 -14.937 -18.767 1.00 10.80 C +ATOM 4252 O VAL B 253 1.368 -14.024 -19.030 1.00 11.52 O +ATOM 4253 CB VAL B 253 -1.738 -14.178 -18.370 1.00 12.71 C +ATOM 4254 CG1 VAL B 253 -2.365 -15.218 -19.298 1.00 22.10 C +ATOM 4255 CG2 VAL B 253 -2.708 -13.697 -17.328 1.00 5.74 C +ATOM 4256 H VAL B 253 0.345 -13.036 -16.859 1.00 15.00 H +ATOM 4257 N PHE B 254 0.636 -16.126 -19.353 1.00 4.92 N +ATOM 4258 CA PHE B 254 1.634 -16.434 -20.372 1.00 11.20 C +ATOM 4259 C PHE B 254 0.927 -17.303 -21.393 1.00 15.62 C +ATOM 4260 O PHE B 254 0.004 -18.036 -21.046 1.00 25.45 O +ATOM 4261 CB PHE B 254 2.820 -17.178 -19.758 1.00 17.07 C +ATOM 4262 CG PHE B 254 3.421 -16.485 -18.555 1.00 16.89 C +ATOM 4263 CD1 PHE B 254 2.775 -16.504 -17.322 1.00 22.92 C +ATOM 4264 CD2 PHE B 254 4.626 -15.824 -18.650 1.00 16.22 C +ATOM 4265 CE1 PHE B 254 3.318 -15.877 -16.205 1.00 18.35 C +ATOM 4266 CE2 PHE B 254 5.178 -15.196 -17.537 1.00 18.28 C +ATOM 4267 CZ PHE B 254 4.519 -15.223 -16.310 1.00 9.27 C +ATOM 4268 H PHE B 254 0.003 -16.835 -19.092 1.00 15.00 H +ATOM 4269 N ILE B 255 1.364 -17.250 -22.640 1.00 4.13 N +ATOM 4270 CA ILE B 255 0.690 -18.000 -23.680 1.00 2.86 C +ATOM 4271 C ILE B 255 1.717 -18.835 -24.434 1.00 5.80 C +ATOM 4272 O ILE B 255 2.871 -18.443 -24.543 1.00 2.70 O +ATOM 4273 CB ILE B 255 -0.059 -17.005 -24.614 1.00 10.70 C +ATOM 4274 CG1 ILE B 255 -1.019 -17.725 -25.560 1.00 11.81 C +ATOM 4275 CG2 ILE B 255 0.925 -16.147 -25.374 1.00 18.65 C +ATOM 4276 CD1 ILE B 255 -2.394 -17.097 -25.538 1.00 6.57 C +ATOM 4277 H ILE B 255 2.169 -16.746 -22.881 1.00 15.00 H +ATOM 4278 N PHE B 256 1.317 -20.010 -24.906 1.00 2.00 N +ATOM 4279 CA PHE B 256 2.239 -20.877 -25.611 1.00 2.00 C +ATOM 4280 C PHE B 256 1.706 -21.511 -26.883 1.00 2.00 C +ATOM 4281 O PHE B 256 0.583 -21.992 -26.944 1.00 8.38 O +ATOM 4282 CB PHE B 256 2.737 -21.961 -24.667 1.00 16.88 C +ATOM 4283 CG PHE B 256 3.294 -21.424 -23.402 1.00 18.17 C +ATOM 4284 CD1 PHE B 256 2.443 -20.970 -22.391 1.00 27.27 C +ATOM 4285 CD2 PHE B 256 4.663 -21.300 -23.235 1.00 14.14 C +ATOM 4286 CE1 PHE B 256 2.951 -20.385 -21.221 1.00 24.01 C +ATOM 4287 CE2 PHE B 256 5.183 -20.718 -22.069 1.00 16.97 C +ATOM 4288 CZ PHE B 256 4.323 -20.259 -21.062 1.00 14.62 C +ATOM 4289 H PHE B 256 0.384 -20.290 -24.795 1.00 15.00 H +ATOM 4290 N PRO B 257 2.534 -21.542 -27.919 1.00 2.73 N +ATOM 4291 CA PRO B 257 2.202 -22.109 -29.222 1.00 5.08 C +ATOM 4292 C PRO B 257 2.204 -23.601 -29.152 1.00 2.00 C +ATOM 4293 O PRO B 257 2.748 -24.179 -28.220 1.00 20.84 O +ATOM 4294 CB PRO B 257 3.373 -21.672 -30.078 1.00 2.00 C +ATOM 4295 CG PRO B 257 4.491 -21.769 -29.135 1.00 2.00 C +ATOM 4296 CD PRO B 257 3.942 -21.125 -27.884 1.00 8.71 C +ATOM 4297 N PRO B 258 1.528 -24.243 -30.093 1.00 2.00 N +ATOM 4298 CA PRO B 258 1.502 -25.702 -30.097 1.00 11.16 C +ATOM 4299 C PRO B 258 2.841 -26.212 -30.617 1.00 7.87 C +ATOM 4300 O PRO B 258 3.585 -25.490 -31.267 1.00 13.55 O +ATOM 4301 CB PRO B 258 0.351 -26.024 -31.051 1.00 8.79 C +ATOM 4302 CG PRO B 258 0.310 -24.862 -31.947 1.00 7.59 C +ATOM 4303 CD PRO B 258 0.509 -23.707 -31.002 1.00 8.12 C +ATOM 4304 N LYS B 259 3.171 -27.448 -30.303 1.00 9.91 N +ATOM 4305 CA LYS B 259 4.436 -27.967 -30.751 1.00 20.30 C +ATOM 4306 C LYS B 259 4.338 -28.129 -32.237 1.00 13.47 C +ATOM 4307 O LYS B 259 3.336 -28.634 -32.733 1.00 23.50 O +ATOM 4308 CB LYS B 259 4.737 -29.308 -30.076 1.00 34.52 C +ATOM 4309 CG LYS B 259 4.907 -29.189 -28.574 1.00 38.01 C +ATOM 4310 CD LYS B 259 6.086 -28.295 -28.230 1.00 40.23 C +ATOM 4311 CE LYS B 259 5.968 -27.778 -26.816 1.00 43.83 C +ATOM 4312 NZ LYS B 259 5.576 -28.863 -25.874 1.00 36.57 N +ATOM 4313 H LYS B 259 2.558 -28.001 -29.784 1.00 15.00 H +ATOM 4314 HZ1 LYS B 259 6.247 -29.654 -25.943 1.00 15.00 H +ATOM 4315 HZ2 LYS B 259 5.569 -28.503 -24.900 1.00 15.00 H +ATOM 4316 HZ3 LYS B 259 4.621 -29.193 -26.115 1.00 15.00 H +ATOM 4317 N ILE B 260 5.382 -27.726 -32.947 1.00 14.67 N +ATOM 4318 CA ILE B 260 5.395 -27.849 -34.393 1.00 14.93 C +ATOM 4319 C ILE B 260 5.096 -29.285 -34.838 1.00 19.80 C +ATOM 4320 O ILE B 260 4.646 -29.511 -35.960 1.00 32.54 O +ATOM 4321 CB ILE B 260 6.725 -27.370 -34.993 1.00 8.59 C +ATOM 4322 CG1 ILE B 260 6.557 -27.131 -36.481 1.00 6.64 C +ATOM 4323 CG2 ILE B 260 7.802 -28.376 -34.749 1.00 17.88 C +ATOM 4324 CD1 ILE B 260 5.359 -26.293 -36.779 1.00 2.00 C +ATOM 4325 H ILE B 260 6.141 -27.307 -32.494 1.00 15.00 H +ATOM 4326 N LYS B 261 5.302 -30.252 -33.952 1.00 20.91 N +ATOM 4327 CA LYS B 261 5.020 -31.638 -34.316 1.00 31.27 C +ATOM 4328 C LYS B 261 3.516 -31.889 -34.426 1.00 29.56 C +ATOM 4329 O LYS B 261 3.051 -32.481 -35.400 1.00 34.40 O +ATOM 4330 CB LYS B 261 5.657 -32.628 -33.327 1.00 38.90 C +ATOM 4331 CG LYS B 261 5.756 -34.047 -33.892 1.00 42.45 C +ATOM 4332 CD LYS B 261 6.404 -35.021 -32.930 1.00 48.83 C +ATOM 4333 CE LYS B 261 6.656 -36.353 -33.621 1.00 56.51 C +ATOM 4334 NZ LYS B 261 7.152 -37.386 -32.667 1.00 65.61 N +ATOM 4335 H LYS B 261 5.660 -30.042 -33.072 1.00 15.00 H +ATOM 4336 HZ1 LYS B 261 8.041 -37.068 -32.230 1.00 15.00 H +ATOM 4337 HZ2 LYS B 261 6.440 -37.547 -31.927 1.00 15.00 H +ATOM 4338 HZ3 LYS B 261 7.317 -38.275 -33.184 1.00 15.00 H +ATOM 4339 N ASP B 262 2.763 -31.409 -33.439 1.00 26.71 N +ATOM 4340 CA ASP B 262 1.317 -31.584 -33.409 1.00 21.09 C +ATOM 4341 C ASP B 262 0.689 -30.961 -34.648 1.00 27.76 C +ATOM 4342 O ASP B 262 -0.105 -31.599 -35.347 1.00 32.24 O +ATOM 4343 CB ASP B 262 0.715 -30.917 -32.170 1.00 23.69 C +ATOM 4344 CG ASP B 262 1.243 -31.486 -30.861 1.00 23.57 C +ATOM 4345 OD1 ASP B 262 1.656 -32.673 -30.837 1.00 2.40 O +ATOM 4346 OD2 ASP B 262 1.218 -30.729 -29.852 1.00 19.94 O +ATOM 4347 H ASP B 262 3.190 -30.895 -32.729 1.00 15.00 H +ATOM 4348 N VAL B 263 1.080 -29.720 -34.922 1.00 21.01 N +ATOM 4349 CA VAL B 263 0.571 -28.957 -36.059 1.00 16.62 C +ATOM 4350 C VAL B 263 0.872 -29.519 -37.446 1.00 16.85 C +ATOM 4351 O VAL B 263 0.026 -29.457 -38.333 1.00 24.67 O +ATOM 4352 CB VAL B 263 1.060 -27.503 -36.008 1.00 10.38 C +ATOM 4353 CG1 VAL B 263 0.675 -26.777 -37.268 1.00 23.86 C +ATOM 4354 CG2 VAL B 263 0.471 -26.794 -34.813 1.00 11.70 C +ATOM 4355 H VAL B 263 1.748 -29.307 -34.334 1.00 15.00 H +ATOM 4356 N LEU B 264 2.079 -30.012 -37.667 1.00 17.08 N +ATOM 4357 CA LEU B 264 2.395 -30.541 -38.975 1.00 16.61 C +ATOM 4358 C LEU B 264 1.875 -31.951 -39.139 1.00 15.76 C +ATOM 4359 O LEU B 264 1.754 -32.427 -40.264 1.00 26.26 O +ATOM 4360 CB LEU B 264 3.899 -30.508 -39.228 1.00 20.65 C +ATOM 4361 CG LEU B 264 4.539 -29.122 -39.123 1.00 24.39 C +ATOM 4362 CD1 LEU B 264 6.043 -29.213 -39.320 1.00 34.87 C +ATOM 4363 CD2 LEU B 264 3.929 -28.200 -40.136 1.00 24.73 C +ATOM 4364 H LEU B 264 2.765 -30.015 -36.966 1.00 15.00 H +ATOM 4365 N MET B 265 1.559 -32.617 -38.032 1.00 11.10 N +ATOM 4366 CA MET B 265 1.080 -33.989 -38.098 1.00 18.85 C +ATOM 4367 C MET B 265 -0.414 -34.129 -38.000 1.00 31.38 C +ATOM 4368 O MET B 265 -1.016 -33.877 -36.954 1.00 37.05 O +ATOM 4369 CB MET B 265 1.739 -34.851 -37.034 1.00 25.60 C +ATOM 4370 CG MET B 265 3.181 -35.177 -37.332 1.00 45.46 C +ATOM 4371 SD MET B 265 3.362 -35.887 -38.973 1.00 63.12 S +ATOM 4372 CE MET B 265 4.554 -34.783 -39.734 1.00 57.01 C +ATOM 4373 H MET B 265 1.637 -32.199 -37.150 1.00 15.00 H +ATOM 4374 N ILE B 266 -0.996 -34.591 -39.096 1.00 40.35 N +ATOM 4375 CA ILE B 266 -2.430 -34.806 -39.206 1.00 46.82 C +ATOM 4376 C ILE B 266 -3.029 -35.502 -37.984 1.00 44.92 C +ATOM 4377 O ILE B 266 -3.925 -34.966 -37.329 1.00 48.02 O +ATOM 4378 CB ILE B 266 -2.737 -35.637 -40.463 1.00 57.93 C +ATOM 4379 CG1 ILE B 266 -1.856 -36.895 -40.493 1.00 70.07 C +ATOM 4380 CG2 ILE B 266 -2.465 -34.804 -41.705 1.00 66.72 C +ATOM 4381 CD1 ILE B 266 -2.245 -37.915 -41.548 1.00 83.52 C +ATOM 4382 H ILE B 266 -0.409 -34.765 -39.862 1.00 15.00 H +ATOM 4383 N SER B 267 -2.478 -36.662 -37.652 1.00 37.57 N +ATOM 4384 CA SER B 267 -2.942 -37.466 -36.535 1.00 37.93 C +ATOM 4385 C SER B 267 -2.875 -36.778 -35.178 1.00 36.11 C +ATOM 4386 O SER B 267 -3.735 -36.990 -34.323 1.00 34.80 O +ATOM 4387 CB SER B 267 -2.140 -38.764 -36.490 1.00 44.63 C +ATOM 4388 OG SER B 267 -0.760 -38.508 -36.701 1.00 48.50 O +ATOM 4389 H SER B 267 -1.689 -37.008 -38.109 1.00 15.00 H +ATOM 4390 HG SER B 267 -0.262 -39.327 -36.596 1.00 15.00 H +ATOM 4391 N LEU B 268 -1.838 -35.979 -34.971 1.00 31.20 N +ATOM 4392 CA LEU B 268 -1.668 -35.297 -33.700 1.00 30.16 C +ATOM 4393 C LEU B 268 -2.764 -34.293 -33.452 1.00 25.79 C +ATOM 4394 O LEU B 268 -3.604 -34.053 -34.313 1.00 32.53 O +ATOM 4395 CB LEU B 268 -0.289 -34.633 -33.608 1.00 35.44 C +ATOM 4396 CG LEU B 268 0.849 -35.568 -33.169 1.00 40.94 C +ATOM 4397 CD1 LEU B 268 0.907 -36.786 -34.068 1.00 43.99 C +ATOM 4398 CD2 LEU B 268 2.185 -34.854 -33.180 1.00 42.93 C +ATOM 4399 H LEU B 268 -1.209 -35.814 -35.701 1.00 15.00 H +ATOM 4400 N SER B 269 -2.754 -33.716 -32.256 1.00 32.82 N +ATOM 4401 CA SER B 269 -3.751 -32.733 -31.858 1.00 30.52 C +ATOM 4402 C SER B 269 -3.090 -31.526 -31.193 1.00 32.92 C +ATOM 4403 O SER B 269 -2.719 -31.568 -30.021 1.00 42.04 O +ATOM 4404 CB SER B 269 -4.754 -33.374 -30.905 1.00 28.29 C +ATOM 4405 OG SER B 269 -5.224 -34.603 -31.439 1.00 43.70 O +ATOM 4406 H SER B 269 -2.070 -33.967 -31.607 1.00 15.00 H +ATOM 4407 HG SER B 269 -5.512 -34.505 -32.355 1.00 15.00 H +ATOM 4408 N PRO B 270 -2.900 -30.445 -31.959 1.00 30.64 N +ATOM 4409 CA PRO B 270 -2.290 -29.192 -31.523 1.00 18.60 C +ATOM 4410 C PRO B 270 -3.229 -28.456 -30.589 1.00 12.36 C +ATOM 4411 O PRO B 270 -4.449 -28.539 -30.747 1.00 10.87 O +ATOM 4412 CB PRO B 270 -2.129 -28.454 -32.830 1.00 24.38 C +ATOM 4413 CG PRO B 270 -3.362 -28.868 -33.561 1.00 32.07 C +ATOM 4414 CD PRO B 270 -3.353 -30.338 -33.355 1.00 29.28 C +ATOM 4415 N ILE B 271 -2.655 -27.735 -29.630 1.00 2.00 N +ATOM 4416 CA ILE B 271 -3.429 -27.000 -28.643 1.00 3.82 C +ATOM 4417 C ILE B 271 -2.681 -25.740 -28.282 1.00 5.25 C +ATOM 4418 O ILE B 271 -1.468 -25.686 -28.452 1.00 13.24 O +ATOM 4419 CB ILE B 271 -3.754 -27.863 -27.361 1.00 8.35 C +ATOM 4420 CG1 ILE B 271 -3.467 -27.083 -26.085 1.00 2.00 C +ATOM 4421 CG2 ILE B 271 -3.002 -29.184 -27.363 1.00 4.61 C +ATOM 4422 CD1 ILE B 271 -3.390 -27.958 -24.879 1.00 19.48 C +ATOM 4423 H ILE B 271 -1.682 -27.654 -29.579 1.00 15.00 H +ATOM 4424 N VAL B 272 -3.417 -24.713 -27.870 1.00 2.00 N +ATOM 4425 CA VAL B 272 -2.842 -23.442 -27.490 1.00 2.60 C +ATOM 4426 C VAL B 272 -3.098 -23.302 -26.015 1.00 11.11 C +ATOM 4427 O VAL B 272 -4.248 -23.325 -25.573 1.00 18.45 O +ATOM 4428 CB VAL B 272 -3.500 -22.285 -28.232 1.00 2.00 C +ATOM 4429 CG1 VAL B 272 -3.032 -20.952 -27.658 1.00 2.00 C +ATOM 4430 CG2 VAL B 272 -3.154 -22.375 -29.679 1.00 2.00 C +ATOM 4431 H VAL B 272 -4.380 -24.807 -27.792 1.00 15.00 H +ATOM 4432 N THR B 273 -2.015 -23.131 -25.266 1.00 18.50 N +ATOM 4433 CA THR B 273 -2.051 -23.030 -23.817 1.00 9.13 C +ATOM 4434 C THR B 273 -1.922 -21.615 -23.282 1.00 11.48 C +ATOM 4435 O THR B 273 -1.163 -20.801 -23.800 1.00 22.66 O +ATOM 4436 CB THR B 273 -0.902 -23.842 -23.231 1.00 2.00 C +ATOM 4437 OG1 THR B 273 -0.769 -25.079 -23.948 1.00 9.21 O +ATOM 4438 CG2 THR B 273 -1.156 -24.123 -21.803 1.00 2.00 C +ATOM 4439 H THR B 273 -1.148 -23.061 -25.721 1.00 15.00 H +ATOM 4440 HG1 THR B 273 -0.381 -24.978 -24.831 1.00 15.00 H +ATOM 4441 N CYS B 274 -2.649 -21.338 -22.218 1.00 3.09 N +ATOM 4442 CA CYS B 274 -2.587 -20.053 -21.583 1.00 16.24 C +ATOM 4443 C CYS B 274 -2.469 -20.451 -20.116 1.00 20.19 C +ATOM 4444 O CYS B 274 -3.286 -21.214 -19.614 1.00 34.19 O +ATOM 4445 CB CYS B 274 -3.862 -19.242 -21.869 1.00 18.15 C +ATOM 4446 SG CYS B 274 -3.541 -17.456 -21.899 1.00 29.23 S +ATOM 4447 H CYS B 274 -3.254 -22.011 -21.837 1.00 15.00 H +ATOM 4448 N VAL B 275 -1.404 -20.015 -19.460 1.00 17.35 N +ATOM 4449 CA VAL B 275 -1.139 -20.349 -18.064 1.00 6.38 C +ATOM 4450 C VAL B 275 -1.184 -19.103 -17.197 1.00 7.84 C +ATOM 4451 O VAL B 275 -0.587 -18.095 -17.545 1.00 25.01 O +ATOM 4452 CB VAL B 275 0.240 -20.938 -17.975 1.00 3.75 C +ATOM 4453 CG1 VAL B 275 0.540 -21.381 -16.573 1.00 8.25 C +ATOM 4454 CG2 VAL B 275 0.366 -22.046 -18.981 1.00 2.00 C +ATOM 4455 H VAL B 275 -0.771 -19.427 -19.923 1.00 15.00 H +ATOM 4456 N VAL B 276 -1.872 -19.173 -16.067 1.00 3.87 N +ATOM 4457 CA VAL B 276 -2.015 -18.031 -15.175 1.00 2.00 C +ATOM 4458 C VAL B 276 -1.324 -18.357 -13.880 1.00 9.79 C +ATOM 4459 O VAL B 276 -1.725 -19.298 -13.202 1.00 22.44 O +ATOM 4460 CB VAL B 276 -3.481 -17.830 -14.813 1.00 3.89 C +ATOM 4461 CG1 VAL B 276 -3.656 -16.564 -13.995 1.00 2.00 C +ATOM 4462 CG2 VAL B 276 -4.344 -17.848 -16.061 1.00 2.00 C +ATOM 4463 H VAL B 276 -2.278 -20.022 -15.800 1.00 15.00 H +ATOM 4464 N VAL B 277 -0.305 -17.593 -13.513 1.00 10.30 N +ATOM 4465 CA VAL B 277 0.393 -17.872 -12.269 1.00 12.22 C +ATOM 4466 C VAL B 277 0.065 -16.851 -11.195 1.00 19.09 C +ATOM 4467 O VAL B 277 -0.491 -15.793 -11.477 1.00 9.70 O +ATOM 4468 CB VAL B 277 1.916 -17.931 -12.433 1.00 2.00 C +ATOM 4469 CG1 VAL B 277 2.295 -18.854 -13.558 1.00 2.00 C +ATOM 4470 CG2 VAL B 277 2.469 -16.551 -12.654 1.00 27.91 C +ATOM 4471 H VAL B 277 -0.024 -16.858 -14.080 1.00 15.00 H +ATOM 4472 N ASP B 278 0.445 -17.191 -9.968 1.00 23.99 N +ATOM 4473 CA ASP B 278 0.216 -16.373 -8.789 1.00 21.07 C +ATOM 4474 C ASP B 278 -1.278 -16.172 -8.520 1.00 17.83 C +ATOM 4475 O ASP B 278 -1.753 -15.057 -8.364 1.00 18.77 O +ATOM 4476 CB ASP B 278 0.994 -15.038 -8.858 1.00 28.28 C +ATOM 4477 CG ASP B 278 2.532 -15.229 -8.804 1.00 36.85 C +ATOM 4478 OD1 ASP B 278 3.005 -16.376 -8.655 1.00 42.48 O +ATOM 4479 OD2 ASP B 278 3.280 -14.227 -8.914 1.00 41.35 O +ATOM 4480 H ASP B 278 0.885 -18.053 -9.855 1.00 15.00 H +ATOM 4481 N VAL B 279 -2.018 -17.273 -8.471 1.00 14.40 N +ATOM 4482 CA VAL B 279 -3.443 -17.206 -8.176 1.00 15.40 C +ATOM 4483 C VAL B 279 -3.595 -17.351 -6.678 1.00 19.85 C +ATOM 4484 O VAL B 279 -3.065 -18.297 -6.094 1.00 17.51 O +ATOM 4485 CB VAL B 279 -4.231 -18.364 -8.782 1.00 22.95 C +ATOM 4486 CG1 VAL B 279 -5.712 -18.094 -8.592 1.00 17.76 C +ATOM 4487 CG2 VAL B 279 -3.869 -18.587 -10.257 1.00 25.84 C +ATOM 4488 H VAL B 279 -1.615 -18.153 -8.625 1.00 15.00 H +ATOM 4489 N SER B 280 -4.338 -16.441 -6.058 1.00 31.64 N +ATOM 4490 CA SER B 280 -4.545 -16.488 -4.614 1.00 33.85 C +ATOM 4491 C SER B 280 -5.352 -17.717 -4.263 1.00 34.50 C +ATOM 4492 O SER B 280 -6.363 -18.005 -4.901 1.00 41.72 O +ATOM 4493 CB SER B 280 -5.281 -15.236 -4.131 1.00 41.16 C +ATOM 4494 OG SER B 280 -5.764 -15.388 -2.803 1.00 49.10 O +ATOM 4495 H SER B 280 -4.771 -15.748 -6.594 1.00 15.00 H +ATOM 4496 HG SER B 280 -6.064 -14.518 -2.502 1.00 15.00 H +ATOM 4497 N GLU B 281 -4.919 -18.434 -3.237 1.00 28.16 N +ATOM 4498 CA GLU B 281 -5.638 -19.623 -2.819 1.00 26.52 C +ATOM 4499 C GLU B 281 -7.069 -19.295 -2.393 1.00 25.38 C +ATOM 4500 O GLU B 281 -7.912 -20.182 -2.330 1.00 31.41 O +ATOM 4501 CB GLU B 281 -4.927 -20.302 -1.647 1.00 38.24 C +ATOM 4502 CG GLU B 281 -3.526 -20.824 -1.924 1.00 44.50 C +ATOM 4503 CD GLU B 281 -2.979 -21.654 -0.764 1.00 46.71 C +ATOM 4504 OE1 GLU B 281 -3.365 -21.364 0.397 1.00 50.25 O +ATOM 4505 OE2 GLU B 281 -2.179 -22.595 -1.019 1.00 41.21 O +ATOM 4506 H GLU B 281 -4.102 -18.172 -2.769 1.00 15.00 H +ATOM 4507 N ASP B 282 -7.341 -18.033 -2.073 1.00 31.69 N +ATOM 4508 CA ASP B 282 -8.680 -17.631 -1.636 1.00 46.96 C +ATOM 4509 C ASP B 282 -9.615 -17.181 -2.758 1.00 50.38 C +ATOM 4510 O ASP B 282 -10.793 -16.906 -2.524 1.00 54.56 O +ATOM 4511 CB ASP B 282 -8.583 -16.544 -0.563 1.00 60.04 C +ATOM 4512 CG ASP B 282 -8.105 -17.086 0.772 1.00 71.92 C +ATOM 4513 OD1 ASP B 282 -6.873 -17.139 0.987 1.00 82.13 O +ATOM 4514 OD2 ASP B 282 -8.960 -17.474 1.601 1.00 77.45 O +ATOM 4515 H ASP B 282 -6.644 -17.347 -2.138 1.00 15.00 H +ATOM 4516 N ASP B 283 -9.091 -17.121 -3.975 1.00 49.91 N +ATOM 4517 CA ASP B 283 -9.865 -16.710 -5.140 1.00 48.67 C +ATOM 4518 C ASP B 283 -9.370 -17.584 -6.299 1.00 42.24 C +ATOM 4519 O ASP B 283 -8.699 -17.103 -7.214 1.00 45.19 O +ATOM 4520 CB ASP B 283 -9.601 -15.221 -5.440 1.00 64.65 C +ATOM 4521 CG ASP B 283 -10.880 -14.379 -5.514 1.00 78.61 C +ATOM 4522 OD1 ASP B 283 -11.935 -14.817 -4.998 1.00 87.73 O +ATOM 4523 OD2 ASP B 283 -10.820 -13.260 -6.079 1.00 80.38 O +ATOM 4524 H ASP B 283 -8.155 -17.380 -4.115 1.00 15.00 H +ATOM 4525 N PRO B 284 -9.663 -18.892 -6.251 1.00 30.36 N +ATOM 4526 CA PRO B 284 -9.241 -19.831 -7.292 1.00 29.78 C +ATOM 4527 C PRO B 284 -10.110 -19.836 -8.550 1.00 30.67 C +ATOM 4528 O PRO B 284 -9.770 -20.497 -9.532 1.00 25.85 O +ATOM 4529 CB PRO B 284 -9.332 -21.173 -6.575 1.00 22.15 C +ATOM 4530 CG PRO B 284 -10.547 -20.992 -5.755 1.00 25.85 C +ATOM 4531 CD PRO B 284 -10.335 -19.613 -5.157 1.00 27.93 C +ATOM 4532 N ASP B 285 -11.238 -19.132 -8.520 1.00 29.95 N +ATOM 4533 CA ASP B 285 -12.134 -19.112 -9.675 1.00 33.73 C +ATOM 4534 C ASP B 285 -11.927 -17.974 -10.678 1.00 35.79 C +ATOM 4535 O ASP B 285 -12.718 -17.016 -10.744 1.00 38.03 O +ATOM 4536 CB ASP B 285 -13.595 -19.175 -9.219 1.00 25.67 C +ATOM 4537 CG ASP B 285 -14.027 -20.577 -8.850 1.00 17.91 C +ATOM 4538 OD1 ASP B 285 -13.439 -21.553 -9.380 1.00 12.31 O +ATOM 4539 OD2 ASP B 285 -14.964 -20.698 -8.038 1.00 21.08 O +ATOM 4540 H ASP B 285 -11.471 -18.599 -7.738 1.00 15.00 H +ATOM 4541 N VAL B 286 -10.867 -18.096 -11.471 1.00 26.26 N +ATOM 4542 CA VAL B 286 -10.574 -17.088 -12.467 1.00 26.90 C +ATOM 4543 C VAL B 286 -11.330 -17.388 -13.740 1.00 35.65 C +ATOM 4544 O VAL B 286 -11.503 -18.551 -14.138 1.00 41.77 O +ATOM 4545 CB VAL B 286 -9.080 -16.981 -12.758 1.00 21.37 C +ATOM 4546 CG1 VAL B 286 -8.383 -16.357 -11.575 1.00 21.34 C +ATOM 4547 CG2 VAL B 286 -8.501 -18.340 -13.049 1.00 19.44 C +ATOM 4548 H VAL B 286 -10.314 -18.899 -11.388 1.00 15.00 H +ATOM 4549 N GLN B 287 -11.792 -16.321 -14.369 1.00 34.77 N +ATOM 4550 CA GLN B 287 -12.558 -16.421 -15.595 1.00 30.61 C +ATOM 4551 C GLN B 287 -11.623 -16.324 -16.796 1.00 21.69 C +ATOM 4552 O GLN B 287 -11.061 -15.263 -17.076 1.00 21.37 O +ATOM 4553 CB GLN B 287 -13.593 -15.289 -15.630 1.00 50.71 C +ATOM 4554 CG GLN B 287 -14.453 -15.181 -14.363 1.00 67.63 C +ATOM 4555 CD GLN B 287 -14.605 -13.748 -13.862 1.00 77.18 C +ATOM 4556 OE1 GLN B 287 -14.521 -12.788 -14.631 1.00 80.93 O +ATOM 4557 NE2 GLN B 287 -14.819 -13.599 -12.560 1.00 87.98 N +ATOM 4558 H GLN B 287 -11.593 -15.433 -14.006 1.00 15.00 H +ATOM 4559 HE21 GLN B 287 -14.952 -12.697 -12.215 1.00 15.00 H +ATOM 4560 HE22 GLN B 287 -14.844 -14.413 -12.013 1.00 15.00 H +ATOM 4561 N ILE B 288 -11.420 -17.445 -17.474 1.00 18.65 N +ATOM 4562 CA ILE B 288 -10.556 -17.481 -18.651 1.00 8.03 C +ATOM 4563 C ILE B 288 -11.459 -17.535 -19.866 1.00 14.38 C +ATOM 4564 O ILE B 288 -12.247 -18.477 -20.043 1.00 17.43 O +ATOM 4565 CB ILE B 288 -9.608 -18.715 -18.645 1.00 10.42 C +ATOM 4566 CG1 ILE B 288 -8.730 -18.673 -17.394 1.00 15.58 C +ATOM 4567 CG2 ILE B 288 -8.767 -18.763 -19.916 1.00 2.00 C +ATOM 4568 CD1 ILE B 288 -7.489 -19.511 -17.469 1.00 21.36 C +ATOM 4569 H ILE B 288 -11.876 -18.264 -17.194 1.00 15.00 H +ATOM 4570 N SER B 289 -11.355 -16.497 -20.684 1.00 23.00 N +ATOM 4571 CA SER B 289 -12.151 -16.367 -21.892 1.00 18.15 C +ATOM 4572 C SER B 289 -11.182 -16.503 -23.051 1.00 10.43 C +ATOM 4573 O SER B 289 -10.119 -15.877 -23.047 1.00 11.11 O +ATOM 4574 CB SER B 289 -12.825 -14.983 -21.921 1.00 25.40 C +ATOM 4575 OG SER B 289 -12.888 -14.380 -20.625 1.00 27.47 O +ATOM 4576 H SER B 289 -10.712 -15.798 -20.475 1.00 15.00 H +ATOM 4577 HG SER B 289 -11.995 -14.246 -20.275 1.00 15.00 H +ATOM 4578 N TRP B 290 -11.533 -17.337 -24.021 1.00 2.00 N +ATOM 4579 CA TRP B 290 -10.688 -17.545 -25.177 1.00 2.00 C +ATOM 4580 C TRP B 290 -11.296 -16.912 -26.410 1.00 13.12 C +ATOM 4581 O TRP B 290 -12.519 -16.807 -26.500 1.00 25.15 O +ATOM 4582 CB TRP B 290 -10.523 -19.021 -25.414 1.00 8.37 C +ATOM 4583 CG TRP B 290 -9.410 -19.556 -24.693 1.00 16.31 C +ATOM 4584 CD1 TRP B 290 -9.423 -20.081 -23.443 1.00 12.34 C +ATOM 4585 CD2 TRP B 290 -8.069 -19.610 -25.146 1.00 18.63 C +ATOM 4586 NE1 TRP B 290 -8.166 -20.460 -23.086 1.00 14.67 N +ATOM 4587 CE2 TRP B 290 -7.309 -20.179 -24.118 1.00 20.64 C +ATOM 4588 CE3 TRP B 290 -7.431 -19.231 -26.327 1.00 25.17 C +ATOM 4589 CZ2 TRP B 290 -5.939 -20.380 -24.232 1.00 19.08 C +ATOM 4590 CZ3 TRP B 290 -6.073 -19.431 -26.439 1.00 20.65 C +ATOM 4591 CH2 TRP B 290 -5.342 -19.999 -25.399 1.00 21.99 C +ATOM 4592 H TRP B 290 -12.383 -17.821 -23.967 1.00 15.00 H +ATOM 4593 HE1 TRP B 290 -7.926 -20.924 -22.260 1.00 15.00 H +ATOM 4594 N PHE B 291 -10.455 -16.559 -27.384 1.00 13.10 N +ATOM 4595 CA PHE B 291 -10.905 -15.922 -28.621 1.00 2.04 C +ATOM 4596 C PHE B 291 -10.098 -16.252 -29.864 1.00 6.36 C +ATOM 4597 O PHE B 291 -8.979 -15.761 -30.013 1.00 19.26 O +ATOM 4598 CB PHE B 291 -10.825 -14.411 -28.477 1.00 5.62 C +ATOM 4599 CG PHE B 291 -11.864 -13.825 -27.588 1.00 5.34 C +ATOM 4600 CD1 PHE B 291 -13.168 -13.716 -28.021 1.00 8.58 C +ATOM 4601 CD2 PHE B 291 -11.532 -13.356 -26.330 1.00 2.00 C +ATOM 4602 CE1 PHE B 291 -14.135 -13.138 -27.204 1.00 28.98 C +ATOM 4603 CE2 PHE B 291 -12.473 -12.785 -25.513 1.00 16.07 C +ATOM 4604 CZ PHE B 291 -13.785 -12.672 -25.946 1.00 27.26 C +ATOM 4605 H PHE B 291 -9.496 -16.722 -27.260 1.00 15.00 H +ATOM 4606 N VAL B 292 -10.647 -17.034 -30.781 1.00 2.00 N +ATOM 4607 CA VAL B 292 -9.910 -17.286 -32.005 1.00 5.84 C +ATOM 4608 C VAL B 292 -10.280 -16.161 -32.946 1.00 11.14 C +ATOM 4609 O VAL B 292 -11.455 -15.937 -33.197 1.00 13.91 O +ATOM 4610 CB VAL B 292 -10.298 -18.600 -32.695 1.00 8.49 C +ATOM 4611 CG1 VAL B 292 -9.730 -18.627 -34.109 1.00 3.43 C +ATOM 4612 CG2 VAL B 292 -9.743 -19.765 -31.938 1.00 19.02 C +ATOM 4613 H VAL B 292 -11.552 -17.394 -30.666 1.00 15.00 H +ATOM 4614 N ASN B 295 -9.301 -15.382 -33.386 1.00 15.38 N +ATOM 4615 CA ASN B 295 -9.574 -14.298 -34.334 1.00 11.88 C +ATOM 4616 C ASN B 295 -10.587 -13.290 -33.846 1.00 11.76 C +ATOM 4617 O ASN B 295 -11.439 -12.851 -34.598 1.00 16.87 O +ATOM 4618 CB ASN B 295 -10.092 -14.880 -35.643 1.00 2.03 C +ATOM 4619 CG ASN B 295 -9.119 -14.731 -36.761 1.00 7.11 C +ATOM 4620 OD1 ASN B 295 -9.239 -15.406 -37.787 1.00 10.39 O +ATOM 4621 ND2 ASN B 295 -8.134 -13.848 -36.586 1.00 3.41 N +ATOM 4622 H ASN B 295 -8.398 -15.502 -33.019 1.00 15.00 H +ATOM 4623 HD21 ASN B 295 -7.521 -13.803 -37.340 1.00 15.00 H +ATOM 4624 HD22 ASN B 295 -8.035 -13.292 -35.787 1.00 15.00 H +ATOM 4625 N ASN B 296 -10.528 -12.964 -32.570 1.00 17.81 N +ATOM 4626 CA ASN B 296 -11.454 -12.000 -31.997 1.00 19.93 C +ATOM 4627 C ASN B 296 -12.899 -12.443 -31.933 1.00 17.83 C +ATOM 4628 O ASN B 296 -13.771 -11.662 -31.545 1.00 18.45 O +ATOM 4629 CB ASN B 296 -11.303 -10.636 -32.657 1.00 30.38 C +ATOM 4630 CG ASN B 296 -9.968 -9.987 -32.326 1.00 59.80 C +ATOM 4631 OD1 ASN B 296 -8.947 -10.672 -32.168 1.00 73.21 O +ATOM 4632 ND2 ASN B 296 -9.967 -8.669 -32.198 1.00 72.62 N +ATOM 4633 H ASN B 296 -9.837 -13.360 -32.003 1.00 15.00 H +ATOM 4634 HD21 ASN B 296 -9.120 -8.246 -31.964 1.00 15.00 H +ATOM 4635 HD22 ASN B 296 -10.816 -8.201 -32.339 1.00 15.00 H +ATOM 4636 N VAL B 299 -13.160 -13.696 -32.296 1.00 10.97 N +ATOM 4637 CA VAL B 299 -14.509 -14.216 -32.175 1.00 8.82 C +ATOM 4638 C VAL B 299 -14.442 -15.220 -31.039 1.00 12.72 C +ATOM 4639 O VAL B 299 -13.593 -16.098 -31.036 1.00 19.80 O +ATOM 4640 CB VAL B 299 -15.033 -14.887 -33.453 1.00 11.55 C +ATOM 4641 CG1 VAL B 299 -14.236 -16.124 -33.810 1.00 24.04 C +ATOM 4642 CG2 VAL B 299 -16.493 -15.248 -33.271 1.00 27.92 C +ATOM 4643 H VAL B 299 -12.470 -14.307 -32.635 1.00 15.00 H +ATOM 4644 N GLU B 300 -15.303 -15.050 -30.042 1.00 24.64 N +ATOM 4645 CA GLU B 300 -15.330 -15.937 -28.881 1.00 20.89 C +ATOM 4646 C GLU B 300 -15.588 -17.394 -29.200 1.00 18.40 C +ATOM 4647 O GLU B 300 -16.405 -17.734 -30.057 1.00 26.69 O +ATOM 4648 CB GLU B 300 -16.355 -15.454 -27.840 1.00 11.51 C +ATOM 4649 CG GLU B 300 -16.170 -16.088 -26.449 1.00 17.22 C +ATOM 4650 CD GLU B 300 -16.882 -15.338 -25.297 1.00 33.32 C +ATOM 4651 OE1 GLU B 300 -17.830 -14.554 -25.534 1.00 30.75 O +ATOM 4652 OE2 GLU B 300 -16.492 -15.548 -24.128 1.00 44.42 O +ATOM 4653 H GLU B 300 -15.938 -14.315 -30.100 1.00 15.00 H +ATOM 4654 N VAL B 301 -14.836 -18.256 -28.540 1.00 17.94 N +ATOM 4655 CA VAL B 301 -15.037 -19.682 -28.700 1.00 29.61 C +ATOM 4656 C VAL B 301 -15.407 -20.148 -27.313 1.00 42.15 C +ATOM 4657 O VAL B 301 -14.682 -20.912 -26.673 1.00 35.90 O +ATOM 4658 CB VAL B 301 -13.805 -20.401 -29.185 1.00 10.07 C +ATOM 4659 CG1 VAL B 301 -13.664 -20.201 -30.663 1.00 16.23 C +ATOM 4660 CG2 VAL B 301 -12.601 -19.921 -28.440 1.00 16.82 C +ATOM 4661 H VAL B 301 -14.136 -17.928 -27.934 1.00 15.00 H +ATOM 4662 N HIS B 302 -16.519 -19.603 -26.822 1.00 57.01 N +ATOM 4663 CA HIS B 302 -16.990 -19.949 -25.500 1.00 55.25 C +ATOM 4664 C HIS B 302 -17.034 -21.456 -25.529 1.00 52.61 C +ATOM 4665 O HIS B 302 -17.773 -22.045 -26.322 1.00 56.66 O +ATOM 4666 CB HIS B 302 -18.359 -19.338 -25.203 1.00 53.24 C +ATOM 4667 CG HIS B 302 -18.517 -18.909 -23.773 1.00 78.85 C +ATOM 4668 ND1 HIS B 302 -18.597 -17.585 -23.393 1.00 87.67 N +ATOM 4669 CD2 HIS B 302 -18.570 -19.630 -22.626 1.00 83.49 C +ATOM 4670 CE1 HIS B 302 -18.690 -17.509 -22.076 1.00 91.00 C +ATOM 4671 NE2 HIS B 302 -18.676 -18.736 -21.586 1.00 86.91 N +ATOM 4672 H HIS B 302 -17.017 -18.995 -27.405 1.00 15.00 H +ATOM 4673 HD1 HIS B 302 -18.601 -16.809 -23.995 1.00 15.00 H +ATOM 4674 HE2 HIS B 302 -18.770 -19.004 -20.643 1.00 15.00 H +ATOM 4675 N THR B 303 -16.061 -22.027 -24.822 1.00 48.83 N +ATOM 4676 CA THR B 303 -15.849 -23.457 -24.686 1.00 46.18 C +ATOM 4677 C THR B 303 -14.906 -23.908 -25.772 1.00 43.96 C +ATOM 4678 O THR B 303 -13.708 -23.966 -25.556 1.00 39.44 O +ATOM 4679 CB THR B 303 -17.148 -24.285 -24.787 1.00 57.82 C +ATOM 4680 OG1 THR B 303 -18.121 -23.778 -23.867 1.00 78.24 O +ATOM 4681 CG2 THR B 303 -16.887 -25.764 -24.478 1.00 53.91 C +ATOM 4682 H THR B 303 -15.396 -21.456 -24.390 1.00 15.00 H +ATOM 4683 HG1 THR B 303 -18.927 -24.193 -24.195 1.00 15.00 H +ATOM 4684 N ALA B 304 -15.448 -24.231 -26.942 1.00 51.96 N +ATOM 4685 CA ALA B 304 -14.658 -24.726 -28.067 1.00 56.78 C +ATOM 4686 C ALA B 304 -13.697 -25.793 -27.574 1.00 57.82 C +ATOM 4687 O ALA B 304 -12.713 -26.111 -28.235 1.00 63.54 O +ATOM 4688 CB ALA B 304 -13.899 -23.594 -28.716 1.00 68.23 C +ATOM 4689 H ALA B 304 -16.403 -24.077 -27.095 1.00 15.00 H +ATOM 4690 N GLN B 305 -14.058 -26.376 -26.431 1.00 62.94 N +ATOM 4691 CA GLN B 305 -13.301 -27.402 -25.714 1.00 64.57 C +ATOM 4692 C GLN B 305 -12.127 -26.837 -24.907 1.00 52.97 C +ATOM 4693 O GLN B 305 -11.108 -27.496 -24.750 1.00 68.02 O +ATOM 4694 CB GLN B 305 -12.844 -28.550 -26.637 1.00 81.53 C +ATOM 4695 CG GLN B 305 -13.958 -29.499 -27.118 1.00 99.15 C +ATOM 4696 CD GLN B 305 -14.362 -30.544 -26.083 1.00108.48 C +ATOM 4697 OE1 GLN B 305 -15.509 -30.580 -25.630 1.00110.29 O +ATOM 4698 NE2 GLN B 305 -13.424 -31.413 -25.723 1.00114.20 N +ATOM 4699 H GLN B 305 -14.918 -26.141 -26.053 1.00 15.00 H +ATOM 4700 HE21 GLN B 305 -13.693 -32.105 -25.090 1.00 15.00 H +ATOM 4701 HE22 GLN B 305 -12.533 -31.325 -26.117 1.00 15.00 H +ATOM 4702 N THR B 306 -12.278 -25.636 -24.366 1.00 28.43 N +ATOM 4703 CA THR B 306 -11.229 -25.055 -23.554 1.00 25.81 C +ATOM 4704 C THR B 306 -11.193 -25.881 -22.282 1.00 26.76 C +ATOM 4705 O THR B 306 -12.127 -25.823 -21.486 1.00 30.13 O +ATOM 4706 CB THR B 306 -11.580 -23.638 -23.148 1.00 39.18 C +ATOM 4707 OG1 THR B 306 -11.603 -22.795 -24.304 1.00 62.25 O +ATOM 4708 CG2 THR B 306 -10.568 -23.104 -22.153 1.00 53.95 C +ATOM 4709 H THR B 306 -13.115 -25.166 -24.401 1.00 15.00 H +ATOM 4710 HG1 THR B 306 -12.163 -23.182 -24.982 1.00 15.00 H +ATOM 4711 N GLN B 307 -10.141 -26.669 -22.100 1.00 27.02 N +ATOM 4712 CA GLN B 307 -10.005 -27.510 -20.914 1.00 27.14 C +ATOM 4713 C GLN B 307 -9.180 -26.826 -19.844 1.00 20.30 C +ATOM 4714 O GLN B 307 -7.955 -26.820 -19.911 1.00 30.63 O +ATOM 4715 CB GLN B 307 -9.320 -28.829 -21.270 1.00 32.89 C +ATOM 4716 CG GLN B 307 -9.865 -29.521 -22.502 1.00 29.19 C +ATOM 4717 CD GLN B 307 -11.262 -30.063 -22.306 1.00 33.93 C +ATOM 4718 OE1 GLN B 307 -12.057 -29.529 -21.524 1.00 35.16 O +ATOM 4719 NE2 GLN B 307 -11.574 -31.137 -23.020 1.00 47.29 N +ATOM 4720 H GLN B 307 -9.460 -26.701 -22.797 1.00 15.00 H +ATOM 4721 HE21 GLN B 307 -12.470 -31.514 -22.935 1.00 15.00 H +ATOM 4722 HE22 GLN B 307 -10.878 -31.496 -23.607 1.00 15.00 H +ATOM 4723 N THR B 308 -9.846 -26.249 -18.862 1.00 18.13 N +ATOM 4724 CA THR B 308 -9.153 -25.587 -17.775 1.00 25.65 C +ATOM 4725 C THR B 308 -9.189 -26.445 -16.523 1.00 29.23 C +ATOM 4726 O THR B 308 -10.027 -27.334 -16.397 1.00 44.02 O +ATOM 4727 CB THR B 308 -9.786 -24.248 -17.441 1.00 31.91 C +ATOM 4728 OG1 THR B 308 -9.285 -23.798 -16.176 1.00 29.45 O +ATOM 4729 CG2 THR B 308 -11.303 -24.369 -17.376 1.00 45.04 C +ATOM 4730 H THR B 308 -10.822 -26.308 -18.848 1.00 15.00 H +ATOM 4731 HG1 THR B 308 -9.906 -23.156 -15.807 1.00 15.00 H +ATOM 4732 N HIS B 309 -8.257 -26.185 -15.613 1.00 33.65 N +ATOM 4733 CA HIS B 309 -8.147 -26.896 -14.335 1.00 34.57 C +ATOM 4734 C HIS B 309 -6.899 -26.403 -13.631 1.00 18.67 C +ATOM 4735 O HIS B 309 -5.903 -26.154 -14.291 1.00 9.45 O +ATOM 4736 CB HIS B 309 -8.090 -28.419 -14.529 1.00 47.79 C +ATOM 4737 CG HIS B 309 -6.925 -28.900 -15.341 1.00 56.28 C +ATOM 4738 ND1 HIS B 309 -6.269 -28.106 -16.258 1.00 64.37 N +ATOM 4739 CD2 HIS B 309 -6.328 -30.117 -15.404 1.00 60.40 C +ATOM 4740 CE1 HIS B 309 -5.323 -28.812 -16.854 1.00 74.73 C +ATOM 4741 NE2 HIS B 309 -5.338 -30.036 -16.354 1.00 69.97 N +ATOM 4742 H HIS B 309 -7.638 -25.445 -15.792 1.00 15.00 H +ATOM 4743 HD1 HIS B 309 -6.439 -27.159 -16.464 1.00 15.00 H +ATOM 4744 HE2 HIS B 309 -4.751 -30.767 -16.633 1.00 15.00 H +ATOM 4745 N ARG B 310 -6.958 -26.265 -12.306 1.00 16.88 N +ATOM 4746 CA ARG B 310 -5.825 -25.765 -11.506 1.00 28.37 C +ATOM 4747 C ARG B 310 -4.815 -26.771 -10.931 1.00 25.76 C +ATOM 4748 O ARG B 310 -5.042 -27.976 -10.947 1.00 34.70 O +ATOM 4749 CB ARG B 310 -6.332 -24.894 -10.351 1.00 17.21 C +ATOM 4750 CG ARG B 310 -6.859 -23.544 -10.785 1.00 44.53 C +ATOM 4751 CD ARG B 310 -8.280 -23.625 -11.306 1.00 52.84 C +ATOM 4752 NE ARG B 310 -9.194 -24.023 -10.239 1.00 66.10 N +ATOM 4753 CZ ARG B 310 -9.940 -25.125 -10.253 1.00 67.71 C +ATOM 4754 NH1 ARG B 310 -9.902 -25.955 -11.295 1.00 68.08 N +ATOM 4755 NH2 ARG B 310 -10.674 -25.431 -9.189 1.00 62.02 N +ATOM 4756 H ARG B 310 -7.775 -26.509 -11.827 1.00 15.00 H +ATOM 4757 HE ARG B 310 -9.264 -23.435 -9.458 1.00 15.00 H +ATOM 4758 HH11 ARG B 310 -9.305 -25.765 -12.075 1.00 15.00 H +ATOM 4759 HH12 ARG B 310 -10.457 -26.786 -11.288 1.00 15.00 H +ATOM 4760 HH21 ARG B 310 -10.660 -24.831 -8.388 1.00 15.00 H +ATOM 4761 HH22 ARG B 310 -11.230 -26.262 -9.186 1.00 15.00 H +ATOM 4762 N GLU B 311 -3.693 -26.241 -10.444 1.00 28.77 N +ATOM 4763 CA GLU B 311 -2.635 -27.024 -9.796 1.00 29.82 C +ATOM 4764 C GLU B 311 -2.163 -26.189 -8.597 1.00 33.50 C +ATOM 4765 O GLU B 311 -2.046 -24.961 -8.713 1.00 39.58 O +ATOM 4766 CB GLU B 311 -1.427 -27.228 -10.715 1.00 24.15 C +ATOM 4767 CG GLU B 311 -1.712 -27.157 -12.196 1.00 14.77 C +ATOM 4768 CD GLU B 311 -2.253 -28.426 -12.754 1.00 11.80 C +ATOM 4769 OE1 GLU B 311 -2.458 -29.390 -11.986 1.00 35.68 O +ATOM 4770 OE2 GLU B 311 -2.463 -28.470 -13.978 1.00 18.35 O +ATOM 4771 H GLU B 311 -3.526 -25.278 -10.539 1.00 15.00 H +ATOM 4772 N ASP B 312 -1.977 -26.828 -7.441 1.00 30.59 N +ATOM 4773 CA ASP B 312 -1.473 -26.144 -6.246 1.00 28.66 C +ATOM 4774 C ASP B 312 0.060 -26.126 -6.438 1.00 30.20 C +ATOM 4775 O ASP B 312 0.561 -26.780 -7.360 1.00 24.76 O +ATOM 4776 CB ASP B 312 -1.857 -26.935 -4.971 1.00 37.38 C +ATOM 4777 CG ASP B 312 -3.254 -26.562 -4.411 1.00 38.66 C +ATOM 4778 OD1 ASP B 312 -3.991 -25.849 -5.124 1.00 41.64 O +ATOM 4779 OD2 ASP B 312 -3.607 -26.968 -3.260 1.00 12.06 O +ATOM 4780 H ASP B 312 -2.139 -27.795 -7.413 1.00 15.00 H +ATOM 4781 N TYR B 313 0.806 -25.384 -5.615 1.00 39.28 N +ATOM 4782 CA TYR B 313 2.267 -25.369 -5.768 1.00 47.14 C +ATOM 4783 C TYR B 313 3.184 -25.019 -4.566 1.00 54.81 C +ATOM 4784 O TYR B 313 3.014 -25.549 -3.455 1.00 54.55 O +ATOM 4785 CB TYR B 313 2.644 -24.522 -6.975 1.00 41.07 C +ATOM 4786 CG TYR B 313 3.881 -25.052 -7.644 1.00 53.57 C +ATOM 4787 CD1 TYR B 313 3.997 -26.406 -7.962 1.00 58.44 C +ATOM 4788 CD2 TYR B 313 4.943 -24.217 -7.936 1.00 57.94 C +ATOM 4789 CE1 TYR B 313 5.148 -26.909 -8.560 1.00 71.56 C +ATOM 4790 CE2 TYR B 313 6.097 -24.706 -8.529 1.00 72.52 C +ATOM 4791 CZ TYR B 313 6.200 -26.049 -8.844 1.00 77.22 C +ATOM 4792 OH TYR B 313 7.355 -26.506 -9.456 1.00 86.01 O +ATOM 4793 H TYR B 313 0.372 -24.854 -4.916 1.00 15.00 H +ATOM 4794 HH TYR B 313 7.293 -27.456 -9.608 1.00 15.00 H +ATOM 4795 N ASN B 314 4.223 -24.217 -4.844 1.00 63.03 N +ATOM 4796 CA ASN B 314 5.204 -23.740 -3.852 1.00 62.01 C +ATOM 4797 C ASN B 314 4.503 -23.181 -2.635 1.00 62.64 C +ATOM 4798 O ASN B 314 5.070 -23.173 -1.550 1.00 62.62 O +ATOM 4799 CB ASN B 314 6.122 -22.616 -4.440 1.00 62.95 C +ATOM 4800 CG ASN B 314 5.335 -21.327 -4.925 1.00 65.81 C +ATOM 4801 OD1 ASN B 314 4.139 -21.181 -4.674 1.00 75.78 O +ATOM 4802 ND2 ASN B 314 6.019 -20.402 -5.616 1.00 50.34 N +ATOM 4803 H ASN B 314 4.383 -23.844 -5.718 1.00 15.00 H +ATOM 4804 HD21 ASN B 314 6.686 -19.858 -5.152 1.00 15.00 H +ATOM 4805 N SER B 317 3.294 -22.659 -2.861 1.00 57.52 N +ATOM 4806 CA SER B 317 2.453 -22.022 -1.851 1.00 42.21 C +ATOM 4807 C SER B 317 1.262 -21.356 -2.538 1.00 43.63 C +ATOM 4808 O SER B 317 0.354 -20.869 -1.870 1.00 37.63 O +ATOM 4809 CB SER B 317 3.251 -20.930 -1.143 1.00 43.54 C +ATOM 4810 OG SER B 317 4.305 -20.441 -1.978 1.00 34.25 O +ATOM 4811 H SER B 317 2.961 -22.623 -3.769 1.00 15.00 H +ATOM 4812 HG SER B 317 5.003 -21.076 -1.790 1.00 15.00 H +ATOM 4813 N THR B 318 1.309 -21.285 -3.871 1.00 48.93 N +ATOM 4814 CA THR B 318 0.261 -20.661 -4.695 1.00 37.29 C +ATOM 4815 C THR B 318 -0.486 -21.654 -5.580 1.00 32.91 C +ATOM 4816 O THR B 318 -0.266 -22.864 -5.504 1.00 41.50 O +ATOM 4817 CB THR B 318 0.868 -19.635 -5.656 1.00 31.01 C +ATOM 4818 OG1 THR B 318 1.952 -20.246 -6.371 1.00 23.62 O +ATOM 4819 CG2 THR B 318 1.355 -18.410 -4.912 1.00 20.85 C +ATOM 4820 H THR B 318 2.090 -21.580 -4.378 1.00 15.00 H +ATOM 4821 HG1 THR B 318 1.577 -20.953 -6.905 1.00 15.00 H +ATOM 4822 N LEU B 319 -1.338 -21.110 -6.448 1.00 31.87 N +ATOM 4823 CA LEU B 319 -2.139 -21.875 -7.410 1.00 24.75 C +ATOM 4824 C LEU B 319 -1.781 -21.420 -8.816 1.00 21.35 C +ATOM 4825 O LEU B 319 -1.545 -20.226 -9.045 1.00 19.32 O +ATOM 4826 CB LEU B 319 -3.625 -21.577 -7.235 1.00 13.22 C +ATOM 4827 CG LEU B 319 -4.531 -22.454 -6.401 1.00 2.00 C +ATOM 4828 CD1 LEU B 319 -3.955 -22.630 -5.030 1.00 22.15 C +ATOM 4829 CD2 LEU B 319 -5.851 -21.749 -6.310 1.00 9.10 C +ATOM 4830 H LEU B 319 -1.515 -20.146 -6.482 1.00 15.00 H +ATOM 4831 N ARG B 320 -1.834 -22.353 -9.758 1.00 15.30 N +ATOM 4832 CA ARG B 320 -1.535 -22.081 -11.156 1.00 15.14 C +ATOM 4833 C ARG B 320 -2.663 -22.615 -12.022 1.00 20.80 C +ATOM 4834 O ARG B 320 -2.889 -23.823 -12.033 1.00 32.92 O +ATOM 4835 CB ARG B 320 -0.265 -22.818 -11.549 1.00 7.46 C +ATOM 4836 CG ARG B 320 -0.072 -22.901 -13.033 1.00 16.14 C +ATOM 4837 CD ARG B 320 1.286 -23.440 -13.400 1.00 25.30 C +ATOM 4838 NE ARG B 320 1.445 -24.797 -12.913 1.00 29.54 N +ATOM 4839 CZ ARG B 320 2.019 -25.098 -11.758 1.00 40.59 C +ATOM 4840 NH1 ARG B 320 2.494 -24.126 -10.982 1.00 34.26 N +ATOM 4841 NH2 ARG B 320 2.086 -26.364 -11.369 1.00 47.82 N +ATOM 4842 H ARG B 320 -2.087 -23.270 -9.529 1.00 15.00 H +ATOM 4843 HE ARG B 320 1.113 -25.535 -13.466 1.00 15.00 H +ATOM 4844 HH11 ARG B 320 2.423 -23.172 -11.269 1.00 15.00 H +ATOM 4845 HH12 ARG B 320 2.923 -24.353 -10.106 1.00 15.00 H +ATOM 4846 HH21 ARG B 320 1.701 -27.089 -11.940 1.00 15.00 H +ATOM 4847 HH22 ARG B 320 2.511 -26.592 -10.492 1.00 15.00 H +ATOM 4848 N VAL B 321 -3.375 -21.752 -12.741 1.00 14.56 N +ATOM 4849 CA VAL B 321 -4.453 -22.237 -13.606 1.00 9.92 C +ATOM 4850 C VAL B 321 -3.910 -22.503 -14.996 1.00 11.07 C +ATOM 4851 O VAL B 321 -3.137 -21.706 -15.526 1.00 21.60 O +ATOM 4852 CB VAL B 321 -5.591 -21.223 -13.757 1.00 4.89 C +ATOM 4853 CG1 VAL B 321 -6.776 -21.893 -14.425 1.00 8.24 C +ATOM 4854 CG2 VAL B 321 -5.989 -20.646 -12.405 1.00 6.69 C +ATOM 4855 H VAL B 321 -3.143 -20.798 -12.735 1.00 15.00 H +ATOM 4856 N VAL B 322 -4.317 -23.605 -15.600 1.00 2.00 N +ATOM 4857 CA VAL B 322 -3.840 -23.920 -16.933 1.00 5.10 C +ATOM 4858 C VAL B 322 -4.986 -24.174 -17.900 1.00 15.53 C +ATOM 4859 O VAL B 322 -5.656 -25.204 -17.831 1.00 22.05 O +ATOM 4860 CB VAL B 322 -2.902 -25.120 -16.904 1.00 2.00 C +ATOM 4861 CG1 VAL B 322 -2.672 -25.659 -18.312 1.00 2.00 C +ATOM 4862 CG2 VAL B 322 -1.587 -24.710 -16.271 1.00 2.00 C +ATOM 4863 H VAL B 322 -4.921 -24.233 -15.148 1.00 15.00 H +ATOM 4864 N SER B 323 -5.194 -23.232 -18.811 1.00 22.67 N +ATOM 4865 CA SER B 323 -6.260 -23.309 -19.809 1.00 18.92 C +ATOM 4866 C SER B 323 -5.712 -23.813 -21.143 1.00 18.57 C +ATOM 4867 O SER B 323 -4.770 -23.230 -21.699 1.00 22.81 O +ATOM 4868 CB SER B 323 -6.881 -21.919 -19.991 1.00 15.66 C +ATOM 4869 OG SER B 323 -8.191 -21.979 -20.525 1.00 10.13 O +ATOM 4870 H SER B 323 -4.597 -22.457 -18.836 1.00 15.00 H +ATOM 4871 HG SER B 323 -8.669 -21.168 -20.324 1.00 15.00 H +ATOM 4872 N ALA B 324 -6.317 -24.877 -21.662 1.00 12.07 N +ATOM 4873 CA ALA B 324 -5.881 -25.459 -22.921 1.00 11.91 C +ATOM 4874 C ALA B 324 -6.984 -25.415 -23.944 1.00 18.49 C +ATOM 4875 O ALA B 324 -8.063 -25.953 -23.728 1.00 19.89 O +ATOM 4876 CB ALA B 324 -5.466 -26.867 -22.711 1.00 13.63 C +ATOM 4877 H ALA B 324 -7.071 -25.296 -21.197 1.00 15.00 H +ATOM 4878 N LEU B 325 -6.693 -24.807 -25.080 1.00 22.26 N +ATOM 4879 CA LEU B 325 -7.665 -24.694 -26.145 1.00 11.70 C +ATOM 4880 C LEU B 325 -7.195 -25.485 -27.337 1.00 6.49 C +ATOM 4881 O LEU B 325 -6.151 -25.194 -27.886 1.00 11.22 O +ATOM 4882 CB LEU B 325 -7.798 -23.237 -26.556 1.00 17.86 C +ATOM 4883 CG LEU B 325 -8.690 -22.964 -27.762 1.00 19.58 C +ATOM 4884 CD1 LEU B 325 -10.115 -22.666 -27.324 1.00 13.67 C +ATOM 4885 CD2 LEU B 325 -8.137 -21.786 -28.489 1.00 11.60 C +ATOM 4886 H LEU B 325 -5.805 -24.407 -25.204 1.00 15.00 H +ATOM 4887 N PRO B 326 -7.918 -26.544 -27.705 1.00 4.26 N +ATOM 4888 CA PRO B 326 -7.588 -27.396 -28.849 1.00 5.09 C +ATOM 4889 C PRO B 326 -7.760 -26.550 -30.090 1.00 7.92 C +ATOM 4890 O PRO B 326 -8.645 -25.697 -30.148 1.00 17.97 O +ATOM 4891 CB PRO B 326 -8.680 -28.458 -28.813 1.00 2.00 C +ATOM 4892 CG PRO B 326 -9.082 -28.489 -27.410 1.00 2.06 C +ATOM 4893 CD PRO B 326 -9.102 -27.053 -27.013 1.00 2.00 C +ATOM 4894 N ILE B 327 -6.944 -26.801 -31.095 1.00 10.24 N +ATOM 4895 CA ILE B 327 -7.016 -26.027 -32.315 1.00 10.90 C +ATOM 4896 C ILE B 327 -7.075 -26.967 -33.492 1.00 20.52 C +ATOM 4897 O ILE B 327 -6.801 -28.168 -33.369 1.00 31.40 O +ATOM 4898 CB ILE B 327 -5.753 -25.183 -32.483 1.00 12.03 C +ATOM 4899 CG1 ILE B 327 -5.525 -24.331 -31.247 1.00 21.15 C +ATOM 4900 CG2 ILE B 327 -5.885 -24.276 -33.677 1.00 31.23 C +ATOM 4901 CD1 ILE B 327 -6.652 -23.372 -30.983 1.00 23.91 C +ATOM 4902 H ILE B 327 -6.293 -27.538 -31.043 1.00 15.00 H +ATOM 4903 N GLN B 328 -7.441 -26.423 -34.640 1.00 18.66 N +ATOM 4904 CA GLN B 328 -7.489 -27.220 -35.838 1.00 22.15 C +ATOM 4905 C GLN B 328 -6.172 -26.880 -36.526 1.00 13.65 C +ATOM 4906 O GLN B 328 -5.854 -25.711 -36.701 1.00 9.42 O +ATOM 4907 CB GLN B 328 -8.695 -26.806 -36.682 1.00 35.48 C +ATOM 4908 CG GLN B 328 -9.360 -27.951 -37.405 1.00 49.76 C +ATOM 4909 CD GLN B 328 -8.377 -28.725 -38.253 1.00 63.26 C +ATOM 4910 OE1 GLN B 328 -7.793 -29.709 -37.795 1.00 68.29 O +ATOM 4911 NE2 GLN B 328 -8.138 -28.251 -39.476 1.00 61.94 N +ATOM 4912 H GLN B 328 -7.694 -25.485 -34.687 1.00 15.00 H +ATOM 4913 HE21 GLN B 328 -7.544 -28.748 -40.070 1.00 15.00 H +ATOM 4914 HE22 GLN B 328 -8.603 -27.427 -39.735 1.00 15.00 H +ATOM 4915 N HIS B 329 -5.396 -27.898 -36.873 1.00 7.10 N +ATOM 4916 CA HIS B 329 -4.098 -27.704 -37.525 1.00 7.86 C +ATOM 4917 C HIS B 329 -4.048 -26.472 -38.404 1.00 15.18 C +ATOM 4918 O HIS B 329 -3.339 -25.509 -38.107 1.00 14.15 O +ATOM 4919 CB HIS B 329 -3.733 -28.905 -38.397 1.00 6.36 C +ATOM 4920 CG HIS B 329 -3.739 -30.212 -37.672 1.00 9.11 C +ATOM 4921 ND1 HIS B 329 -4.889 -30.782 -37.169 1.00 20.61 N +ATOM 4922 CD2 HIS B 329 -2.743 -31.090 -37.412 1.00 25.43 C +ATOM 4923 CE1 HIS B 329 -4.602 -31.955 -36.634 1.00 27.50 C +ATOM 4924 NE2 HIS B 329 -3.306 -32.166 -36.768 1.00 29.18 N +ATOM 4925 H HIS B 329 -5.735 -28.779 -36.631 1.00 15.00 H +ATOM 4926 HD1 HIS B 329 -5.821 -30.479 -37.229 1.00 15.00 H +ATOM 4927 HE2 HIS B 329 -2.822 -32.970 -36.452 1.00 15.00 H +ATOM 4928 N GLN B 330 -4.856 -26.491 -39.460 1.00 20.51 N +ATOM 4929 CA GLN B 330 -4.903 -25.390 -40.412 1.00 16.99 C +ATOM 4930 C GLN B 330 -5.153 -24.028 -39.784 1.00 9.59 C +ATOM 4931 O GLN B 330 -4.512 -23.056 -40.174 1.00 9.45 O +ATOM 4932 CB GLN B 330 -5.923 -25.662 -41.510 1.00 27.70 C +ATOM 4933 CG GLN B 330 -5.826 -24.695 -42.686 1.00 49.02 C +ATOM 4934 CD GLN B 330 -4.483 -24.756 -43.410 1.00 52.00 C +ATOM 4935 OE1 GLN B 330 -4.214 -25.697 -44.153 1.00 57.46 O +ATOM 4936 NE2 GLN B 330 -3.647 -23.743 -43.209 1.00 50.89 N +ATOM 4937 H GLN B 330 -5.434 -27.259 -39.614 1.00 15.00 H +ATOM 4938 HE21 GLN B 330 -2.787 -23.795 -43.667 1.00 15.00 H +ATOM 4939 HE22 GLN B 330 -3.928 -23.003 -42.624 1.00 15.00 H +ATOM 4940 N ASP B 331 -6.019 -23.961 -38.774 1.00 5.57 N +ATOM 4941 CA ASP B 331 -6.305 -22.684 -38.122 1.00 5.33 C +ATOM 4942 C ASP B 331 -5.027 -21.963 -37.761 1.00 6.50 C +ATOM 4943 O ASP B 331 -4.891 -20.790 -38.057 1.00 21.09 O +ATOM 4944 CB ASP B 331 -7.165 -22.868 -36.879 1.00 16.06 C +ATOM 4945 CG ASP B 331 -8.573 -23.305 -37.207 1.00 37.08 C +ATOM 4946 OD1 ASP B 331 -9.010 -23.118 -38.366 1.00 39.58 O +ATOM 4947 OD2 ASP B 331 -9.253 -23.830 -36.301 1.00 51.70 O +ATOM 4948 H ASP B 331 -6.429 -24.769 -38.413 1.00 15.00 H +ATOM 4949 N TRP B 332 -4.056 -22.689 -37.218 1.00 12.40 N +ATOM 4950 CA TRP B 332 -2.765 -22.104 -36.826 1.00 16.86 C +ATOM 4951 C TRP B 332 -1.969 -21.617 -38.042 1.00 16.86 C +ATOM 4952 O TRP B 332 -1.478 -20.477 -38.074 1.00 17.00 O +ATOM 4953 CB TRP B 332 -1.924 -23.134 -36.041 1.00 5.54 C +ATOM 4954 CG TRP B 332 -0.547 -22.665 -35.626 1.00 2.00 C +ATOM 4955 CD1 TRP B 332 0.643 -23.042 -36.174 1.00 5.82 C +ATOM 4956 CD2 TRP B 332 -0.222 -21.724 -34.590 1.00 2.00 C +ATOM 4957 NE1 TRP B 332 1.685 -22.387 -35.553 1.00 2.00 N +ATOM 4958 CE2 TRP B 332 1.174 -21.573 -34.580 1.00 2.00 C +ATOM 4959 CE3 TRP B 332 -0.980 -20.993 -33.678 1.00 2.00 C +ATOM 4960 CZ2 TRP B 332 1.821 -20.729 -33.703 1.00 2.00 C +ATOM 4961 CZ3 TRP B 332 -0.337 -20.153 -32.803 1.00 3.90 C +ATOM 4962 CH2 TRP B 332 1.051 -20.023 -32.822 1.00 7.40 C +ATOM 4963 H TRP B 332 -4.212 -23.654 -37.101 1.00 15.00 H +ATOM 4964 HE1 TRP B 332 2.631 -22.528 -35.774 1.00 15.00 H +ATOM 4965 N MET B 333 -1.840 -22.497 -39.028 1.00 10.99 N +ATOM 4966 CA MET B 333 -1.100 -22.211 -40.245 1.00 14.58 C +ATOM 4967 C MET B 333 -1.683 -21.048 -41.039 1.00 19.46 C +ATOM 4968 O MET B 333 -0.955 -20.276 -41.656 1.00 24.61 O +ATOM 4969 CB MET B 333 -1.075 -23.457 -41.109 1.00 10.81 C +ATOM 4970 CG MET B 333 -0.492 -24.633 -40.397 1.00 14.08 C +ATOM 4971 SD MET B 333 1.295 -24.539 -40.367 1.00 28.68 S +ATOM 4972 CE MET B 333 1.614 -25.549 -41.786 1.00 14.67 C +ATOM 4973 H MET B 333 -2.292 -23.356 -38.898 1.00 15.00 H +ATOM 4974 N SER B 334 -2.997 -20.915 -41.021 1.00 19.25 N +ATOM 4975 CA SER B 334 -3.637 -19.831 -41.742 1.00 21.98 C +ATOM 4976 C SER B 334 -3.513 -18.518 -40.987 1.00 21.13 C +ATOM 4977 O SER B 334 -4.408 -17.676 -41.049 1.00 30.65 O +ATOM 4978 CB SER B 334 -5.099 -20.166 -41.982 1.00 27.02 C +ATOM 4979 OG SER B 334 -5.192 -21.406 -42.662 1.00 47.17 O +ATOM 4980 H SER B 334 -3.550 -21.535 -40.514 1.00 15.00 H +ATOM 4981 HG SER B 334 -6.110 -21.536 -42.915 1.00 15.00 H +ATOM 4982 N GLY B 335 -2.410 -18.362 -40.261 1.00 5.27 N +ATOM 4983 CA GLY B 335 -2.162 -17.155 -39.498 1.00 3.45 C +ATOM 4984 C GLY B 335 -3.267 -16.614 -38.609 1.00 3.96 C +ATOM 4985 O GLY B 335 -3.359 -15.402 -38.437 1.00 12.57 O +ATOM 4986 H GLY B 335 -1.710 -19.033 -40.214 1.00 15.00 H +ATOM 4987 N LYS B 336 -4.128 -17.464 -38.063 1.00 2.00 N +ATOM 4988 CA LYS B 336 -5.179 -16.961 -37.174 1.00 6.91 C +ATOM 4989 C LYS B 336 -4.526 -16.435 -35.914 1.00 8.13 C +ATOM 4990 O LYS B 336 -3.362 -16.760 -35.638 1.00 22.04 O +ATOM 4991 CB LYS B 336 -6.170 -18.059 -36.802 1.00 17.65 C +ATOM 4992 CG LYS B 336 -7.195 -18.383 -37.876 1.00 37.13 C +ATOM 4993 CD LYS B 336 -8.219 -19.369 -37.358 1.00 45.86 C +ATOM 4994 CE LYS B 336 -9.214 -19.751 -38.430 1.00 53.67 C +ATOM 4995 NZ LYS B 336 -10.211 -20.712 -37.881 1.00 63.78 N +ATOM 4996 H LYS B 336 -4.054 -18.423 -38.254 1.00 15.00 H +ATOM 4997 HZ1 LYS B 336 -9.729 -21.549 -37.518 1.00 15.00 H +ATOM 4998 HZ2 LYS B 336 -10.721 -20.277 -37.085 1.00 15.00 H +ATOM 4999 HZ3 LYS B 336 -10.883 -20.984 -38.631 1.00 15.00 H +ATOM 5000 N GLU B 337 -5.271 -15.661 -35.129 1.00 2.00 N +ATOM 5001 CA GLU B 337 -4.718 -15.095 -33.900 1.00 2.22 C +ATOM 5002 C GLU B 337 -5.481 -15.504 -32.664 1.00 9.52 C +ATOM 5003 O GLU B 337 -6.595 -15.003 -32.411 1.00 14.55 O +ATOM 5004 CB GLU B 337 -4.696 -13.574 -33.955 1.00 5.29 C +ATOM 5005 CG GLU B 337 -3.856 -12.962 -32.857 1.00 11.56 C +ATOM 5006 CD GLU B 337 -4.360 -11.606 -32.412 1.00 15.47 C +ATOM 5007 OE1 GLU B 337 -5.596 -11.435 -32.291 1.00 22.18 O +ATOM 5008 OE2 GLU B 337 -3.510 -10.723 -32.151 1.00 8.28 O +ATOM 5009 H GLU B 337 -6.199 -15.481 -35.370 1.00 15.00 H +ATOM 5010 N PHE B 338 -4.861 -16.356 -31.859 1.00 6.02 N +ATOM 5011 CA PHE B 338 -5.494 -16.824 -30.640 1.00 11.21 C +ATOM 5012 C PHE B 338 -5.218 -15.867 -29.511 1.00 11.46 C +ATOM 5013 O PHE B 338 -4.079 -15.461 -29.298 1.00 20.49 O +ATOM 5014 CB PHE B 338 -5.019 -18.219 -30.317 1.00 2.45 C +ATOM 5015 CG PHE B 338 -5.071 -19.128 -31.495 1.00 4.82 C +ATOM 5016 CD1 PHE B 338 -3.997 -19.226 -32.353 1.00 2.00 C +ATOM 5017 CD2 PHE B 338 -6.215 -19.851 -31.773 1.00 9.03 C +ATOM 5018 CE1 PHE B 338 -4.070 -20.020 -33.454 1.00 2.00 C +ATOM 5019 CE2 PHE B 338 -6.287 -20.657 -32.888 1.00 2.00 C +ATOM 5020 CZ PHE B 338 -5.220 -20.740 -33.725 1.00 2.00 C +ATOM 5021 H PHE B 338 -3.946 -16.631 -32.072 1.00 15.00 H +ATOM 5022 N LYS B 339 -6.297 -15.437 -28.873 1.00 5.47 N +ATOM 5023 CA LYS B 339 -6.268 -14.502 -27.769 1.00 12.14 C +ATOM 5024 C LYS B 339 -6.731 -15.228 -26.511 1.00 18.23 C +ATOM 5025 O LYS B 339 -7.529 -16.169 -26.578 1.00 22.37 O +ATOM 5026 CB LYS B 339 -7.226 -13.360 -28.103 1.00 23.93 C +ATOM 5027 CG LYS B 339 -7.245 -12.176 -27.165 1.00 26.60 C +ATOM 5028 CD LYS B 339 -8.123 -11.097 -27.792 1.00 45.59 C +ATOM 5029 CE LYS B 339 -8.340 -9.898 -26.889 1.00 39.30 C +ATOM 5030 NZ LYS B 339 -9.219 -8.924 -27.583 1.00 44.60 N +ATOM 5031 H LYS B 339 -7.170 -15.764 -29.171 1.00 15.00 H +ATOM 5032 HZ1 LYS B 339 -10.120 -9.384 -27.826 1.00 15.00 H +ATOM 5033 HZ2 LYS B 339 -9.403 -8.115 -26.958 1.00 15.00 H +ATOM 5034 HZ3 LYS B 339 -8.751 -8.593 -28.452 1.00 15.00 H +ATOM 5035 N CYS B 340 -6.277 -14.742 -25.364 1.00 13.23 N +ATOM 5036 CA CYS B 340 -6.616 -15.322 -24.081 1.00 9.46 C +ATOM 5037 C CYS B 340 -6.843 -14.170 -23.132 1.00 13.64 C +ATOM 5038 O CYS B 340 -5.941 -13.379 -22.889 1.00 21.49 O +ATOM 5039 CB CYS B 340 -5.450 -16.153 -23.636 1.00 17.69 C +ATOM 5040 SG CYS B 340 -5.346 -16.552 -21.884 1.00 27.27 S +ATOM 5041 H CYS B 340 -5.699 -13.953 -25.371 1.00 15.00 H +ATOM 5042 N LYS B 341 -8.052 -14.072 -22.605 1.00 5.53 N +ATOM 5043 CA LYS B 341 -8.422 -12.977 -21.728 1.00 14.52 C +ATOM 5044 C LYS B 341 -8.783 -13.512 -20.353 1.00 17.66 C +ATOM 5045 O LYS B 341 -9.756 -14.251 -20.196 1.00 24.95 O +ATOM 5046 CB LYS B 341 -9.605 -12.254 -22.383 1.00 29.24 C +ATOM 5047 CG LYS B 341 -10.253 -11.099 -21.656 1.00 29.37 C +ATOM 5048 CD LYS B 341 -11.436 -10.606 -22.514 1.00 36.18 C +ATOM 5049 CE LYS B 341 -12.330 -9.581 -21.796 1.00 46.84 C +ATOM 5050 NZ LYS B 341 -11.717 -8.228 -21.557 1.00 44.25 N +ATOM 5051 H LYS B 341 -8.708 -14.764 -22.784 1.00 15.00 H +ATOM 5052 HZ1 LYS B 341 -11.427 -7.805 -22.464 1.00 15.00 H +ATOM 5053 HZ2 LYS B 341 -12.409 -7.611 -21.083 1.00 15.00 H +ATOM 5054 HZ3 LYS B 341 -10.882 -8.341 -20.944 1.00 15.00 H +ATOM 5055 N VAL B 342 -7.992 -13.140 -19.359 1.00 12.93 N +ATOM 5056 CA VAL B 342 -8.215 -13.598 -17.998 1.00 17.40 C +ATOM 5057 C VAL B 342 -8.705 -12.487 -17.089 1.00 25.05 C +ATOM 5058 O VAL B 342 -8.241 -11.349 -17.180 1.00 30.39 O +ATOM 5059 CB VAL B 342 -6.937 -14.188 -17.363 1.00 16.26 C +ATOM 5060 CG1 VAL B 342 -6.179 -15.071 -18.362 1.00 22.65 C +ATOM 5061 CG2 VAL B 342 -6.049 -13.083 -16.839 1.00 31.95 C +ATOM 5062 H VAL B 342 -7.250 -12.526 -19.521 1.00 15.00 H +ATOM 5063 N ASN B 343 -9.643 -12.814 -16.211 1.00 31.41 N +ATOM 5064 CA ASN B 343 -10.147 -11.833 -15.272 1.00 43.50 C +ATOM 5065 C ASN B 343 -10.521 -12.433 -13.927 1.00 53.58 C +ATOM 5066 O ASN B 343 -10.849 -13.623 -13.825 1.00 50.48 O +ATOM 5067 CB ASN B 343 -11.337 -11.060 -15.831 1.00 48.24 C +ATOM 5068 CG ASN B 343 -11.791 -9.953 -14.891 1.00 56.17 C +ATOM 5069 OD1 ASN B 343 -11.041 -9.010 -14.622 1.00 49.39 O +ATOM 5070 ND2 ASN B 343 -12.990 -10.097 -14.333 1.00 59.85 N +ATOM 5071 H ASN B 343 -10.026 -13.721 -16.197 1.00 15.00 H +ATOM 5072 HD21 ASN B 343 -13.279 -9.383 -13.731 1.00 15.00 H +ATOM 5073 HD22 ASN B 343 -13.520 -10.901 -14.550 1.00 15.00 H +ATOM 5074 N ASN B 344 -10.423 -11.600 -12.893 1.00 61.86 N +ATOM 5075 CA ASN B 344 -10.765 -11.970 -11.525 1.00 69.25 C +ATOM 5076 C ASN B 344 -10.955 -10.673 -10.742 1.00 74.22 C +ATOM 5077 O ASN B 344 -10.525 -9.614 -11.186 1.00 79.21 O +ATOM 5078 CB ASN B 344 -9.685 -12.855 -10.894 1.00 70.04 C +ATOM 5079 CG ASN B 344 -8.618 -12.060 -10.193 1.00 70.71 C +ATOM 5080 OD1 ASN B 344 -8.636 -11.925 -8.972 1.00 78.08 O +ATOM 5081 ND2 ASN B 344 -7.692 -11.511 -10.958 1.00 69.95 N +ATOM 5082 H ASN B 344 -10.145 -10.662 -13.043 1.00 15.00 H +ATOM 5083 HD21 ASN B 344 -6.988 -11.002 -10.507 1.00 15.00 H +ATOM 5084 HD22 ASN B 344 -7.739 -11.638 -11.928 1.00 15.00 H +ATOM 5085 N LYS B 345 -11.575 -10.765 -9.572 1.00 84.06 N +ATOM 5086 CA LYS B 345 -11.864 -9.597 -8.739 1.00 93.70 C +ATOM 5087 C LYS B 345 -10.701 -8.651 -8.409 1.00 94.56 C +ATOM 5088 O LYS B 345 -10.863 -7.430 -8.435 1.00 92.88 O +ATOM 5089 CB LYS B 345 -12.553 -10.045 -7.444 1.00102.31 C +ATOM 5090 CG LYS B 345 -13.080 -8.895 -6.598 1.00118.63 C +ATOM 5091 CD LYS B 345 -14.099 -8.055 -7.370 1.00127.88 C +ATOM 5092 CE LYS B 345 -14.414 -6.745 -6.653 1.00130.39 C +ATOM 5093 NZ LYS B 345 -13.214 -5.861 -6.530 1.00134.44 N +ATOM 5094 H LYS B 345 -11.834 -11.650 -9.246 1.00 15.00 H +ATOM 5095 HZ1 LYS B 345 -12.839 -5.648 -7.476 1.00 15.00 H +ATOM 5096 HZ2 LYS B 345 -13.487 -4.974 -6.061 1.00 15.00 H +ATOM 5097 HZ3 LYS B 345 -12.482 -6.339 -5.967 1.00 15.00 H +ATOM 5098 N ASP B 346 -9.540 -9.210 -8.091 1.00 98.47 N +ATOM 5099 CA ASP B 346 -8.371 -8.402 -7.739 1.00101.09 C +ATOM 5100 C ASP B 346 -7.705 -7.716 -8.936 1.00 97.08 C +ATOM 5101 O ASP B 346 -6.748 -6.955 -8.775 1.00 98.98 O +ATOM 5102 CB ASP B 346 -7.350 -9.259 -6.983 1.00109.88 C +ATOM 5103 CG ASP B 346 -7.943 -9.918 -5.746 1.00118.31 C +ATOM 5104 OD1 ASP B 346 -8.672 -9.233 -4.994 1.00121.56 O +ATOM 5105 OD2 ASP B 346 -7.687 -11.124 -5.532 1.00120.39 O +ATOM 5106 H ASP B 346 -9.450 -10.186 -8.108 1.00 15.00 H +ATOM 5107 N LEU B 347 -8.212 -7.985 -10.133 1.00 89.70 N +ATOM 5108 CA LEU B 347 -7.665 -7.399 -11.344 1.00 78.07 C +ATOM 5109 C LEU B 347 -8.304 -6.060 -11.632 1.00 80.36 C +ATOM 5110 O LEU B 347 -9.517 -5.974 -11.820 1.00 81.70 O +ATOM 5111 CB LEU B 347 -7.901 -8.331 -12.523 1.00 69.66 C +ATOM 5112 CG LEU B 347 -6.634 -8.846 -13.192 1.00 68.82 C +ATOM 5113 CD1 LEU B 347 -5.619 -9.288 -12.153 1.00 67.24 C +ATOM 5114 CD2 LEU B 347 -6.999 -9.989 -14.113 1.00 73.72 C +ATOM 5115 H LEU B 347 -9.011 -8.542 -10.227 1.00 15.00 H +ATOM 5116 N PRO B 348 -7.492 -4.991 -11.676 1.00 81.34 N +ATOM 5117 CA PRO B 348 -8.005 -3.645 -11.950 1.00 81.89 C +ATOM 5118 C PRO B 348 -8.628 -3.613 -13.345 1.00 79.61 C +ATOM 5119 O PRO B 348 -9.649 -2.963 -13.578 1.00 81.73 O +ATOM 5120 CB PRO B 348 -6.741 -2.782 -11.872 1.00 80.99 C +ATOM 5121 CG PRO B 348 -5.646 -3.726 -12.300 1.00 76.49 C +ATOM 5122 CD PRO B 348 -6.022 -4.984 -11.561 1.00 81.48 C +ATOM 5123 N ALA B 349 -8.005 -4.351 -14.257 1.00 75.36 N +ATOM 5124 CA ALA B 349 -8.453 -4.449 -15.636 1.00 65.14 C +ATOM 5125 C ALA B 349 -7.998 -5.809 -16.133 1.00 57.35 C +ATOM 5126 O ALA B 349 -6.924 -6.292 -15.747 1.00 53.06 O +ATOM 5127 CB ALA B 349 -7.831 -3.344 -16.479 1.00 67.52 C +ATOM 5128 H ALA B 349 -7.223 -4.894 -14.030 1.00 15.00 H +ATOM 5129 N PRO B 350 -8.822 -6.456 -16.971 1.00 48.43 N +ATOM 5130 CA PRO B 350 -8.532 -7.776 -17.539 1.00 40.19 C +ATOM 5131 C PRO B 350 -7.205 -7.829 -18.280 1.00 38.02 C +ATOM 5132 O PRO B 350 -6.834 -6.887 -18.987 1.00 49.26 O +ATOM 5133 CB PRO B 350 -9.726 -8.023 -18.467 1.00 34.60 C +ATOM 5134 CG PRO B 350 -10.199 -6.635 -18.803 1.00 47.81 C +ATOM 5135 CD PRO B 350 -10.102 -5.938 -17.480 1.00 41.41 C +ATOM 5136 N ILE B 351 -6.483 -8.926 -18.079 1.00 31.34 N +ATOM 5137 CA ILE B 351 -5.188 -9.133 -18.704 1.00 27.82 C +ATOM 5138 C ILE B 351 -5.432 -10.051 -19.884 1.00 29.98 C +ATOM 5139 O ILE B 351 -6.074 -11.083 -19.726 1.00 34.00 O +ATOM 5140 CB ILE B 351 -4.211 -9.828 -17.730 1.00 30.20 C +ATOM 5141 CG1 ILE B 351 -4.107 -9.033 -16.430 1.00 28.05 C +ATOM 5142 CG2 ILE B 351 -2.829 -9.965 -18.353 1.00 35.53 C +ATOM 5143 CD1 ILE B 351 -3.286 -9.729 -15.361 1.00 26.71 C +ATOM 5144 H ILE B 351 -6.854 -9.644 -17.521 1.00 15.00 H +ATOM 5145 N GLU B 352 -4.968 -9.657 -21.069 1.00 31.85 N +ATOM 5146 CA GLU B 352 -5.136 -10.470 -22.276 1.00 24.65 C +ATOM 5147 C GLU B 352 -3.796 -10.738 -22.932 1.00 17.94 C +ATOM 5148 O GLU B 352 -2.855 -9.975 -22.741 1.00 24.40 O +ATOM 5149 CB GLU B 352 -6.113 -9.812 -23.261 1.00 39.24 C +ATOM 5150 CG GLU B 352 -6.059 -8.282 -23.319 1.00 58.11 C +ATOM 5151 CD GLU B 352 -7.035 -7.677 -24.337 1.00 62.52 C +ATOM 5152 OE1 GLU B 352 -8.202 -7.416 -23.968 1.00 63.00 O +ATOM 5153 OE2 GLU B 352 -6.628 -7.448 -25.502 1.00 67.94 O +ATOM 5154 H GLU B 352 -4.466 -8.822 -21.144 1.00 15.00 H +ATOM 5155 N ARG B 353 -3.686 -11.870 -23.621 1.00 16.15 N +ATOM 5156 CA ARG B 353 -2.449 -12.263 -24.309 1.00 15.74 C +ATOM 5157 C ARG B 353 -2.848 -12.907 -25.641 1.00 11.46 C +ATOM 5158 O ARG B 353 -3.850 -13.637 -25.701 1.00 4.26 O +ATOM 5159 CB ARG B 353 -1.657 -13.279 -23.473 1.00 23.55 C +ATOM 5160 CG ARG B 353 -1.258 -12.813 -22.080 1.00 25.44 C +ATOM 5161 CD ARG B 353 0.035 -12.044 -22.106 1.00 40.01 C +ATOM 5162 NE ARG B 353 0.562 -11.778 -20.770 1.00 41.25 N +ATOM 5163 CZ ARG B 353 0.236 -10.723 -20.028 1.00 51.82 C +ATOM 5164 NH1 ARG B 353 -0.630 -9.825 -20.481 1.00 50.90 N +ATOM 5165 NH2 ARG B 353 0.811 -10.544 -18.845 1.00 62.51 N +ATOM 5166 H ARG B 353 -4.451 -12.479 -23.675 1.00 15.00 H +ATOM 5167 HE ARG B 353 1.202 -12.412 -20.390 1.00 15.00 H +ATOM 5168 HH11 ARG B 353 -1.053 -9.931 -21.380 1.00 15.00 H +ATOM 5169 HH12 ARG B 353 -0.866 -9.039 -19.910 1.00 15.00 H +ATOM 5170 HH21 ARG B 353 1.495 -11.195 -18.516 1.00 15.00 H +ATOM 5171 HH22 ARG B 353 0.570 -9.747 -18.292 1.00 15.00 H +ATOM 5172 N THR B 354 -2.072 -12.642 -26.692 1.00 2.00 N +ATOM 5173 CA THR B 354 -2.347 -13.171 -28.036 1.00 9.37 C +ATOM 5174 C THR B 354 -1.158 -13.881 -28.682 1.00 5.85 C +ATOM 5175 O THR B 354 -0.007 -13.460 -28.525 1.00 6.32 O +ATOM 5176 CB THR B 354 -2.751 -12.049 -28.992 1.00 14.72 C +ATOM 5177 OG1 THR B 354 -1.882 -10.919 -28.795 1.00 27.97 O +ATOM 5178 CG2 THR B 354 -4.179 -11.648 -28.762 1.00 18.12 C +ATOM 5179 H THR B 354 -1.276 -12.078 -26.619 1.00 15.00 H +ATOM 5180 HG1 THR B 354 -2.010 -10.281 -29.504 1.00 15.00 H +ATOM 5181 N ILE B 355 -1.454 -14.863 -29.520 1.00 2.00 N +ATOM 5182 CA ILE B 355 -0.411 -15.626 -30.179 1.00 7.31 C +ATOM 5183 C ILE B 355 -0.883 -15.887 -31.603 1.00 6.20 C +ATOM 5184 O ILE B 355 -2.094 -15.892 -31.853 1.00 14.49 O +ATOM 5185 CB ILE B 355 -0.142 -16.953 -29.387 1.00 8.18 C +ATOM 5186 CG1 ILE B 355 1.327 -17.043 -28.963 1.00 5.79 C +ATOM 5187 CG2 ILE B 355 -0.569 -18.180 -30.197 1.00 20.58 C +ATOM 5188 CD1 ILE B 355 2.197 -17.962 -29.853 1.00 8.06 C +ATOM 5189 H ILE B 355 -2.376 -15.086 -29.743 1.00 15.00 H +ATOM 5190 N SER B 357 0.057 -16.040 -32.533 1.00 2.00 N +ATOM 5191 CA SER B 357 -0.260 -16.286 -33.940 1.00 4.45 C +ATOM 5192 C SER B 357 1.023 -16.723 -34.593 1.00 3.20 C +ATOM 5193 O SER B 357 2.089 -16.306 -34.165 1.00 15.48 O +ATOM 5194 CB SER B 357 -0.766 -15.003 -34.630 1.00 7.61 C +ATOM 5195 OG SER B 357 -0.357 -13.807 -33.967 1.00 2.00 O +ATOM 5196 H SER B 357 1.010 -15.969 -32.308 1.00 15.00 H +ATOM 5197 HG SER B 357 -0.887 -13.714 -33.173 1.00 15.00 H +ATOM 5198 N LYS B 358 0.940 -17.574 -35.603 1.00 2.00 N +ATOM 5199 CA LYS B 358 2.148 -18.037 -36.291 1.00 7.31 C +ATOM 5200 C LYS B 358 2.874 -16.902 -36.998 1.00 18.58 C +ATOM 5201 O LYS B 358 2.336 -16.295 -37.936 1.00 26.22 O +ATOM 5202 CB LYS B 358 1.800 -19.117 -37.312 1.00 11.88 C +ATOM 5203 CG LYS B 358 2.976 -19.698 -38.056 1.00 2.00 C +ATOM 5204 CD LYS B 358 2.522 -20.912 -38.835 1.00 2.00 C +ATOM 5205 CE LYS B 358 3.693 -21.709 -39.406 1.00 5.38 C +ATOM 5206 NZ LYS B 358 4.600 -20.885 -40.265 1.00 10.29 N +ATOM 5207 H LYS B 358 0.058 -17.872 -35.904 1.00 15.00 H +ATOM 5208 HZ1 LYS B 358 4.062 -20.493 -41.064 1.00 15.00 H +ATOM 5209 HZ2 LYS B 358 4.987 -20.107 -39.692 1.00 15.00 H +ATOM 5210 HZ3 LYS B 358 5.385 -21.466 -40.618 1.00 15.00 H +ATOM 5211 N PRO B 359 4.118 -16.617 -36.579 1.00 26.25 N +ATOM 5212 CA PRO B 359 4.939 -15.553 -37.165 1.00 27.37 C +ATOM 5213 C PRO B 359 5.073 -15.727 -38.674 1.00 21.00 C +ATOM 5214 O PRO B 359 5.528 -16.761 -39.160 1.00 19.63 O +ATOM 5215 CB PRO B 359 6.280 -15.730 -36.444 1.00 35.04 C +ATOM 5216 CG PRO B 359 6.325 -17.206 -36.146 1.00 34.13 C +ATOM 5217 CD PRO B 359 4.914 -17.410 -35.627 1.00 34.72 C +ATOM 5218 N LYS B 360 4.641 -14.711 -39.406 1.00 25.02 N +ATOM 5219 CA LYS B 360 4.675 -14.722 -40.868 1.00 30.99 C +ATOM 5220 C LYS B 360 6.091 -14.419 -41.372 1.00 22.87 C +ATOM 5221 O LYS B 360 6.679 -13.403 -40.993 1.00 18.07 O +ATOM 5222 CB LYS B 360 3.696 -13.667 -41.408 1.00 44.34 C +ATOM 5223 CG LYS B 360 2.316 -13.633 -40.711 1.00 57.24 C +ATOM 5224 CD LYS B 360 1.837 -12.195 -40.442 1.00 52.10 C +ATOM 5225 CE LYS B 360 2.790 -11.449 -39.500 1.00 51.87 C +ATOM 5226 NZ LYS B 360 2.441 -10.014 -39.354 1.00 40.65 N +ATOM 5227 H LYS B 360 4.295 -13.921 -38.951 1.00 15.00 H +ATOM 5228 HZ1 LYS B 360 2.475 -9.534 -40.275 1.00 15.00 H +ATOM 5229 HZ2 LYS B 360 1.485 -9.939 -38.950 1.00 15.00 H +ATOM 5230 HZ3 LYS B 360 3.121 -9.570 -38.707 1.00 15.00 H +ATOM 5231 N GLY B 361 6.619 -15.278 -42.241 1.00 7.53 N +ATOM 5232 CA GLY B 361 7.955 -15.072 -42.760 1.00 2.00 C +ATOM 5233 C GLY B 361 8.324 -16.086 -43.821 1.00 9.98 C +ATOM 5234 O GLY B 361 7.509 -16.932 -44.212 1.00 13.63 O +ATOM 5235 H GLY B 361 6.137 -16.079 -42.531 1.00 15.00 H +ATOM 5236 N SER B 363 9.568 -16.021 -44.273 1.00 8.38 N +ATOM 5237 CA SER B 363 10.049 -16.915 -45.312 1.00 15.14 C +ATOM 5238 C SER B 363 9.986 -18.365 -44.870 1.00 12.04 C +ATOM 5239 O SER B 363 9.514 -18.652 -43.774 1.00 26.16 O +ATOM 5240 CB SER B 363 11.474 -16.527 -45.671 1.00 32.88 C +ATOM 5241 OG SER B 363 11.593 -15.109 -45.725 1.00 54.49 O +ATOM 5242 H SER B 363 10.196 -15.364 -43.916 1.00 15.00 H +ATOM 5243 HG SER B 363 12.526 -14.927 -45.917 1.00 15.00 H +ATOM 5244 N VAL B 364 10.458 -19.276 -45.713 1.00 2.00 N +ATOM 5245 CA VAL B 364 10.447 -20.698 -45.396 1.00 2.00 C +ATOM 5246 C VAL B 364 11.505 -21.410 -46.208 1.00 16.67 C +ATOM 5247 O VAL B 364 11.504 -21.321 -47.437 1.00 22.52 O +ATOM 5248 CB VAL B 364 9.078 -21.342 -45.717 1.00 2.00 C +ATOM 5249 CG1 VAL B 364 9.198 -22.858 -45.820 1.00 2.00 C +ATOM 5250 CG2 VAL B 364 8.035 -20.956 -44.650 1.00 2.00 C +ATOM 5251 H VAL B 364 10.803 -19.023 -46.592 1.00 15.00 H +ATOM 5252 N ARG B 365 12.398 -22.126 -45.524 1.00 24.05 N +ATOM 5253 CA ARG B 365 13.468 -22.867 -46.190 1.00 18.25 C +ATOM 5254 C ARG B 365 13.529 -24.279 -45.640 1.00 16.64 C +ATOM 5255 O ARG B 365 13.438 -24.492 -44.423 1.00 11.46 O +ATOM 5256 CB ARG B 365 14.828 -22.192 -45.971 1.00 23.00 C +ATOM 5257 CG ARG B 365 14.792 -20.660 -45.948 1.00 41.29 C +ATOM 5258 CD ARG B 365 15.740 -20.014 -46.970 1.00 51.03 C +ATOM 5259 NE ARG B 365 17.154 -20.193 -46.658 1.00 50.77 N +ATOM 5260 CZ ARG B 365 18.070 -20.572 -47.544 1.00 63.31 C +ATOM 5261 NH1 ARG B 365 17.723 -20.814 -48.803 1.00 63.88 N +ATOM 5262 NH2 ARG B 365 19.337 -20.720 -47.168 1.00 68.25 N +ATOM 5263 H ARG B 365 12.315 -22.190 -44.555 1.00 15.00 H +ATOM 5264 HE ARG B 365 17.445 -20.026 -45.737 1.00 15.00 H +ATOM 5265 HH11 ARG B 365 16.771 -20.713 -49.093 1.00 15.00 H +ATOM 5266 HH12 ARG B 365 18.413 -21.099 -49.468 1.00 15.00 H +ATOM 5267 HH21 ARG B 365 19.595 -20.543 -46.221 1.00 15.00 H +ATOM 5268 HH22 ARG B 365 20.026 -21.003 -47.833 1.00 15.00 H +ATOM 5269 N ALA B 366 13.631 -25.251 -46.540 1.00 13.16 N +ATOM 5270 CA ALA B 366 13.734 -26.641 -46.119 1.00 11.65 C +ATOM 5271 C ALA B 366 15.149 -26.756 -45.594 1.00 16.28 C +ATOM 5272 O ALA B 366 16.052 -26.123 -46.122 1.00 20.07 O +ATOM 5273 CB ALA B 366 13.540 -27.574 -47.289 1.00 10.45 C +ATOM 5274 H ALA B 366 13.643 -25.030 -47.493 1.00 15.00 H +ATOM 5275 N PRO B 367 15.359 -27.570 -44.553 1.00 20.41 N +ATOM 5276 CA PRO B 367 16.668 -27.773 -43.941 1.00 16.25 C +ATOM 5277 C PRO B 367 17.453 -28.830 -44.673 1.00 17.71 C +ATOM 5278 O PRO B 367 16.886 -29.810 -45.148 1.00 24.98 O +ATOM 5279 CB PRO B 367 16.293 -28.265 -42.561 1.00 14.03 C +ATOM 5280 CG PRO B 367 15.163 -29.191 -42.886 1.00 15.21 C +ATOM 5281 CD PRO B 367 14.342 -28.391 -43.873 1.00 21.95 C +ATOM 5282 N GLN B 368 18.760 -28.626 -44.761 1.00 26.51 N +ATOM 5283 CA GLN B 368 19.658 -29.574 -45.407 1.00 35.25 C +ATOM 5284 C GLN B 368 20.020 -30.485 -44.246 1.00 32.58 C +ATOM 5285 O GLN B 368 20.612 -30.021 -43.268 1.00 41.74 O +ATOM 5286 CB GLN B 368 20.931 -28.863 -45.885 1.00 56.92 C +ATOM 5287 CG GLN B 368 20.742 -27.431 -46.406 1.00 79.34 C +ATOM 5288 CD GLN B 368 20.583 -27.341 -47.920 1.00 91.48 C +ATOM 5289 OE1 GLN B 368 20.847 -28.299 -48.654 1.00 99.26 O +ATOM 5290 NE2 GLN B 368 20.162 -26.174 -48.394 1.00 95.74 N +ATOM 5291 H GLN B 368 19.114 -27.805 -44.358 1.00 15.00 H +ATOM 5292 HE21 GLN B 368 20.063 -26.096 -49.360 1.00 15.00 H +ATOM 5293 HE22 GLN B 368 19.971 -25.461 -47.752 1.00 15.00 H +ATOM 5294 N VAL B 369 19.653 -31.756 -44.316 1.00 16.82 N +ATOM 5295 CA VAL B 369 19.953 -32.651 -43.213 1.00 9.87 C +ATOM 5296 C VAL B 369 20.946 -33.770 -43.498 1.00 14.38 C +ATOM 5297 O VAL B 369 20.658 -34.696 -44.251 1.00 12.68 O +ATOM 5298 CB VAL B 369 18.654 -33.216 -42.569 1.00 6.47 C +ATOM 5299 CG1 VAL B 369 17.548 -33.313 -43.586 1.00 11.54 C +ATOM 5300 CG2 VAL B 369 18.903 -34.587 -41.945 1.00 12.86 C +ATOM 5301 H VAL B 369 19.187 -32.097 -45.105 1.00 15.00 H +ATOM 5302 N TYR B 370 22.104 -33.700 -42.851 1.00 20.44 N +ATOM 5303 CA TYR B 370 23.124 -34.727 -43.028 1.00 22.33 C +ATOM 5304 C TYR B 370 23.449 -35.403 -41.708 1.00 24.32 C +ATOM 5305 O TYR B 370 23.206 -34.847 -40.630 1.00 18.81 O +ATOM 5306 CB TYR B 370 24.420 -34.168 -43.595 1.00 12.85 C +ATOM 5307 CG TYR B 370 24.269 -32.945 -44.433 1.00 13.81 C +ATOM 5308 CD1 TYR B 370 24.145 -31.704 -43.836 1.00 14.32 C +ATOM 5309 CD2 TYR B 370 24.317 -33.014 -45.825 1.00 16.63 C +ATOM 5310 CE1 TYR B 370 24.080 -30.555 -44.590 1.00 29.22 C +ATOM 5311 CE2 TYR B 370 24.257 -31.864 -46.597 1.00 22.36 C +ATOM 5312 CZ TYR B 370 24.142 -30.636 -45.965 1.00 27.55 C +ATOM 5313 OH TYR B 370 24.114 -29.466 -46.685 1.00 45.99 O +ATOM 5314 H TYR B 370 22.252 -32.971 -42.211 1.00 15.00 H +ATOM 5315 HH TYR B 370 24.109 -29.670 -47.624 1.00 15.00 H +ATOM 5316 N VAL B 371 24.007 -36.605 -41.806 1.00 19.94 N +ATOM 5317 CA VAL B 371 24.402 -37.368 -40.634 1.00 25.27 C +ATOM 5318 C VAL B 371 25.897 -37.642 -40.689 1.00 31.53 C +ATOM 5319 O VAL B 371 26.407 -38.162 -41.683 1.00 39.16 O +ATOM 5320 CB VAL B 371 23.649 -38.697 -40.514 1.00 25.89 C +ATOM 5321 CG1 VAL B 371 22.214 -38.445 -40.117 1.00 30.73 C +ATOM 5322 CG2 VAL B 371 23.728 -39.467 -41.800 1.00 24.85 C +ATOM 5323 H VAL B 371 24.198 -36.988 -42.686 1.00 15.00 H +ATOM 5324 N LEU B 372 26.601 -37.237 -39.638 1.00 30.08 N +ATOM 5325 CA LEU B 372 28.038 -37.414 -39.552 1.00 20.65 C +ATOM 5326 C LEU B 372 28.364 -38.605 -38.659 1.00 23.80 C +ATOM 5327 O LEU B 372 27.735 -38.815 -37.617 1.00 15.43 O +ATOM 5328 CB LEU B 372 28.685 -36.147 -39.009 1.00 10.54 C +ATOM 5329 CG LEU B 372 28.102 -34.846 -39.554 1.00 8.11 C +ATOM 5330 CD1 LEU B 372 28.959 -33.647 -39.176 1.00 10.57 C +ATOM 5331 CD2 LEU B 372 28.006 -34.950 -41.048 1.00 19.38 C +ATOM 5332 H LEU B 372 26.135 -36.812 -38.911 1.00 15.00 H +ATOM 5333 N PRO B 373 29.364 -39.400 -39.057 1.00 25.12 N +ATOM 5334 CA PRO B 373 29.775 -40.576 -38.302 1.00 17.64 C +ATOM 5335 C PRO B 373 30.753 -40.151 -37.256 1.00 27.21 C +ATOM 5336 O PRO B 373 31.416 -39.113 -37.390 1.00 29.67 O +ATOM 5337 CB PRO B 373 30.501 -41.381 -39.345 1.00 22.65 C +ATOM 5338 CG PRO B 373 31.306 -40.282 -40.036 1.00 30.68 C +ATOM 5339 CD PRO B 373 30.314 -39.135 -40.157 1.00 29.48 C +ATOM 5340 N PRO B 374 30.876 -40.953 -36.200 1.00 29.61 N +ATOM 5341 CA PRO B 374 31.806 -40.656 -35.113 1.00 31.06 C +ATOM 5342 C PRO B 374 33.207 -40.521 -35.710 1.00 34.24 C +ATOM 5343 O PRO B 374 33.580 -41.268 -36.625 1.00 36.75 O +ATOM 5344 CB PRO B 374 31.690 -41.897 -34.229 1.00 28.09 C +ATOM 5345 CG PRO B 374 31.228 -42.971 -35.190 1.00 17.18 C +ATOM 5346 CD PRO B 374 30.204 -42.238 -35.980 1.00 23.05 C +ATOM 5347 N PRO B 375 33.979 -39.533 -35.237 1.00 34.60 N +ATOM 5348 CA PRO B 375 35.338 -39.303 -35.733 1.00 39.18 C +ATOM 5349 C PRO B 375 36.239 -40.511 -35.482 1.00 48.58 C +ATOM 5350 O PRO B 375 36.197 -41.122 -34.412 1.00 48.41 O +ATOM 5351 CB PRO B 375 35.778 -38.057 -34.964 1.00 29.05 C +ATOM 5352 CG PRO B 375 34.990 -38.139 -33.691 1.00 31.26 C +ATOM 5353 CD PRO B 375 33.640 -38.597 -34.153 1.00 32.98 C +ATOM 5354 N GLU B 377 37.039 -40.859 -36.487 1.00 62.12 N +ATOM 5355 CA GLU B 377 37.938 -42.013 -36.406 1.00 65.16 C +ATOM 5356 C GLU B 377 38.750 -42.113 -35.117 1.00 61.57 C +ATOM 5357 O GLU B 377 38.920 -43.201 -34.556 1.00 53.60 O +ATOM 5358 CB GLU B 377 38.842 -42.091 -37.645 1.00 72.75 C +ATOM 5359 CG GLU B 377 39.258 -40.750 -38.256 1.00 81.98 C +ATOM 5360 CD GLU B 377 39.778 -40.905 -39.685 1.00 87.83 C +ATOM 5361 OE1 GLU B 377 38.964 -41.205 -40.587 1.00 88.05 O +ATOM 5362 OE2 GLU B 377 40.999 -40.736 -39.907 1.00 88.56 O +ATOM 5363 H GLU B 377 36.969 -40.340 -37.312 1.00 15.00 H +ATOM 5364 N GLU B 378 39.176 -40.967 -34.602 1.00 60.18 N +ATOM 5365 CA GLU B 378 39.953 -40.939 -33.374 1.00 59.57 C +ATOM 5366 C GLU B 378 39.072 -41.088 -32.135 1.00 53.84 C +ATOM 5367 O GLU B 378 39.306 -40.457 -31.102 1.00 43.70 O +ATOM 5368 CB GLU B 378 40.785 -39.659 -33.291 1.00 68.64 C +ATOM 5369 CG GLU B 378 39.982 -38.379 -33.242 1.00 77.85 C +ATOM 5370 CD GLU B 378 40.811 -37.214 -32.755 1.00 85.60 C +ATOM 5371 OE1 GLU B 378 41.085 -37.153 -31.535 1.00 94.67 O +ATOM 5372 OE2 GLU B 378 41.197 -36.367 -33.589 1.00 90.01 O +ATOM 5373 H GLU B 378 38.957 -40.129 -35.049 1.00 15.00 H +ATOM 5374 N GLU B 379 38.056 -41.930 -32.245 1.00 51.93 N +ATOM 5375 CA GLU B 379 37.153 -42.171 -31.138 1.00 52.59 C +ATOM 5376 C GLU B 379 36.679 -43.609 -31.218 1.00 56.27 C +ATOM 5377 O GLU B 379 35.898 -44.057 -30.389 1.00 54.35 O +ATOM 5378 CB GLU B 379 35.962 -41.220 -31.206 1.00 48.47 C +ATOM 5379 CG GLU B 379 35.066 -41.264 -29.987 1.00 59.95 C +ATOM 5380 CD GLU B 379 33.730 -40.571 -30.205 1.00 66.15 C +ATOM 5381 OE1 GLU B 379 33.078 -40.825 -31.243 1.00 64.22 O +ATOM 5382 OE2 GLU B 379 33.321 -39.783 -29.323 1.00 67.63 O +ATOM 5383 H GLU B 379 37.854 -42.386 -33.079 1.00 15.00 H +ATOM 5384 N MET B 381 37.180 -44.343 -32.204 1.00 66.84 N +ATOM 5385 CA MET B 381 36.803 -45.739 -32.371 1.00 83.36 C +ATOM 5386 C MET B 381 37.593 -46.636 -31.420 1.00 86.69 C +ATOM 5387 O MET B 381 38.145 -47.663 -31.821 1.00 94.67 O +ATOM 5388 CB MET B 381 37.006 -46.176 -33.825 1.00 94.97 C +ATOM 5389 CG MET B 381 35.725 -46.192 -34.645 1.00107.23 C +ATOM 5390 SD MET B 381 34.918 -44.585 -34.726 1.00118.75 S +ATOM 5391 CE MET B 381 35.001 -44.238 -36.498 1.00121.54 C +ATOM 5392 H MET B 381 37.827 -43.971 -32.838 1.00 15.00 H +ATOM 5393 N THR B 382 37.639 -46.240 -30.154 1.00 85.58 N +ATOM 5394 CA THR B 382 38.360 -46.992 -29.142 1.00 82.63 C +ATOM 5395 C THR B 382 37.472 -47.158 -27.919 1.00 83.97 C +ATOM 5396 O THR B 382 37.320 -48.265 -27.399 1.00 90.79 O +ATOM 5397 CB THR B 382 39.665 -46.273 -28.746 1.00 81.16 C +ATOM 5398 OG1 THR B 382 39.367 -44.941 -28.302 1.00 80.65 O +ATOM 5399 CG2 THR B 382 40.621 -46.209 -29.934 1.00 76.35 C +ATOM 5400 H THR B 382 37.140 -45.455 -29.862 1.00 15.00 H +ATOM 5401 HG1 THR B 382 40.188 -44.499 -28.055 1.00 15.00 H +ATOM 5402 N LYS B 383 36.876 -46.052 -27.481 1.00 79.72 N +ATOM 5403 CA LYS B 383 35.991 -46.037 -26.318 1.00 78.54 C +ATOM 5404 C LYS B 383 34.797 -46.969 -26.571 1.00 78.79 C +ATOM 5405 O LYS B 383 34.566 -47.385 -27.705 1.00 79.67 O +ATOM 5406 CB LYS B 383 35.519 -44.602 -26.061 1.00 77.22 C +ATOM 5407 CG LYS B 383 36.618 -43.551 -26.222 1.00 76.26 C +ATOM 5408 CD LYS B 383 36.103 -42.153 -25.936 1.00 84.33 C +ATOM 5409 CE LYS B 383 37.176 -41.102 -26.178 1.00 87.49 C +ATOM 5410 NZ LYS B 383 36.724 -39.740 -25.771 1.00 89.61 N +ATOM 5411 H LYS B 383 37.036 -45.230 -27.985 1.00 15.00 H +ATOM 5412 HZ1 LYS B 383 35.869 -39.485 -26.303 1.00 15.00 H +ATOM 5413 HZ2 LYS B 383 36.511 -39.744 -24.754 1.00 15.00 H +ATOM 5414 HZ3 LYS B 383 37.479 -39.051 -25.965 1.00 15.00 H +ATOM 5415 N LYS B 384 34.055 -47.326 -25.527 1.00 80.09 N +ATOM 5416 CA LYS B 384 32.912 -48.218 -25.725 1.00 85.31 C +ATOM 5417 C LYS B 384 31.707 -47.519 -26.341 1.00 78.06 C +ATOM 5418 O LYS B 384 30.899 -48.151 -27.016 1.00 76.20 O +ATOM 5419 CB LYS B 384 32.527 -48.950 -24.435 1.00 98.94 C +ATOM 5420 CG LYS B 384 32.205 -48.059 -23.247 1.00119.87 C +ATOM 5421 CD LYS B 384 31.872 -48.898 -22.013 1.00133.38 C +ATOM 5422 CE LYS B 384 33.032 -49.812 -21.600 1.00141.10 C +ATOM 5423 NZ LYS B 384 34.253 -49.057 -21.178 1.00146.39 N +ATOM 5424 H LYS B 384 34.290 -47.010 -24.635 1.00 15.00 H +ATOM 5425 HZ1 LYS B 384 34.566 -48.447 -21.961 1.00 15.00 H +ATOM 5426 HZ2 LYS B 384 34.023 -48.470 -20.352 1.00 15.00 H +ATOM 5427 HZ3 LYS B 384 35.010 -49.727 -20.934 1.00 15.00 H +ATOM 5428 N GLN B 385 31.613 -46.212 -26.120 1.00 71.69 N +ATOM 5429 CA GLN B 385 30.527 -45.387 -26.641 1.00 66.43 C +ATOM 5430 C GLN B 385 31.053 -44.576 -27.832 1.00 65.84 C +ATOM 5431 O GLN B 385 32.234 -44.238 -27.867 1.00 71.12 O +ATOM 5432 CB GLN B 385 30.075 -44.402 -25.555 1.00 60.75 C +ATOM 5433 CG GLN B 385 29.566 -45.031 -24.281 1.00 58.55 C +ATOM 5434 CD GLN B 385 28.166 -45.565 -24.439 1.00 69.42 C +ATOM 5435 OE1 GLN B 385 27.926 -46.475 -25.223 1.00 76.26 O +ATOM 5436 NE2 GLN B 385 27.225 -44.983 -23.715 1.00 72.13 N +ATOM 5437 H GLN B 385 32.332 -45.760 -25.646 1.00 15.00 H +ATOM 5438 HE21 GLN B 385 26.321 -45.343 -23.812 1.00 15.00 H +ATOM 5439 HE22 GLN B 385 27.472 -44.244 -23.127 1.00 15.00 H +ATOM 5440 N VAL B 386 30.186 -44.267 -28.796 1.00 60.13 N +ATOM 5441 CA VAL B 386 30.557 -43.453 -29.960 1.00 53.97 C +ATOM 5442 C VAL B 386 29.525 -42.347 -30.110 1.00 50.23 C +ATOM 5443 O VAL B 386 28.438 -42.418 -29.520 1.00 54.52 O +ATOM 5444 CB VAL B 386 30.636 -44.249 -31.279 1.00 53.21 C +ATOM 5445 CG1 VAL B 386 31.899 -45.083 -31.321 1.00 51.54 C +ATOM 5446 CG2 VAL B 386 29.418 -45.119 -31.445 1.00 61.99 C +ATOM 5447 H VAL B 386 29.262 -44.558 -28.719 1.00 15.00 H +ATOM 5448 N THR B 387 29.850 -41.332 -30.898 1.00 41.29 N +ATOM 5449 CA THR B 387 28.932 -40.224 -31.066 1.00 38.09 C +ATOM 5450 C THR B 387 28.479 -39.902 -32.478 1.00 41.68 C +ATOM 5451 O THR B 387 29.237 -39.410 -33.329 1.00 41.13 O +ATOM 5452 CB THR B 387 29.472 -38.967 -30.398 1.00 42.37 C +ATOM 5453 OG1 THR B 387 29.700 -39.247 -29.010 1.00 52.48 O +ATOM 5454 CG2 THR B 387 28.477 -37.815 -30.530 1.00 41.30 C +ATOM 5455 H THR B 387 30.710 -41.316 -31.353 1.00 15.00 H +ATOM 5456 HG1 THR B 387 28.900 -39.648 -28.661 1.00 15.00 H +ATOM 5457 N LEU B 388 27.217 -40.205 -32.721 1.00 42.03 N +ATOM 5458 CA LEU B 388 26.610 -39.935 -34.005 1.00 35.20 C +ATOM 5459 C LEU B 388 26.126 -38.492 -33.934 1.00 28.10 C +ATOM 5460 O LEU B 388 25.621 -38.034 -32.901 1.00 27.80 O +ATOM 5461 CB LEU B 388 25.476 -40.920 -34.245 1.00 34.36 C +ATOM 5462 CG LEU B 388 26.015 -42.348 -34.173 1.00 30.00 C +ATOM 5463 CD1 LEU B 388 24.887 -43.344 -34.263 1.00 29.95 C +ATOM 5464 CD2 LEU B 388 27.018 -42.563 -35.286 1.00 29.08 C +ATOM 5465 H LEU B 388 26.687 -40.611 -32.013 1.00 15.00 H +ATOM 5466 N THR B 389 26.364 -37.760 -35.008 1.00 20.37 N +ATOM 5467 CA THR B 389 26.003 -36.363 -35.071 1.00 24.81 C +ATOM 5468 C THR B 389 25.068 -36.099 -36.244 1.00 29.10 C +ATOM 5469 O THR B 389 25.353 -36.536 -37.354 1.00 26.25 O +ATOM 5470 CB THR B 389 27.278 -35.520 -35.274 1.00 22.06 C +ATOM 5471 OG1 THR B 389 28.199 -35.767 -34.206 1.00 26.50 O +ATOM 5472 CG2 THR B 389 26.952 -34.041 -35.316 1.00 31.85 C +ATOM 5473 H THR B 389 26.796 -38.160 -35.800 1.00 15.00 H +ATOM 5474 HG1 THR B 389 28.322 -36.720 -34.086 1.00 15.00 H +ATOM 5475 N CYS B 390 23.936 -35.440 -35.992 1.00 27.51 N +ATOM 5476 CA CYS B 390 23.004 -35.079 -37.066 1.00 21.73 C +ATOM 5477 C CYS B 390 23.064 -33.570 -37.232 1.00 23.58 C +ATOM 5478 O CYS B 390 22.756 -32.815 -36.290 1.00 21.25 O +ATOM 5479 CB CYS B 390 21.570 -35.451 -36.735 1.00 32.11 C +ATOM 5480 SG CYS B 390 20.360 -34.905 -37.994 1.00 24.35 S +ATOM 5481 H CYS B 390 23.704 -35.211 -35.066 1.00 15.00 H +ATOM 5482 N MET B 391 23.440 -33.140 -38.432 1.00 13.90 N +ATOM 5483 CA MET B 391 23.585 -31.723 -38.743 1.00 12.45 C +ATOM 5484 C MET B 391 22.401 -31.204 -39.523 1.00 11.34 C +ATOM 5485 O MET B 391 22.054 -31.745 -40.565 1.00 16.44 O +ATOM 5486 CB MET B 391 24.868 -31.499 -39.551 1.00 13.18 C +ATOM 5487 CG MET B 391 25.062 -30.076 -40.025 1.00 14.86 C +ATOM 5488 SD MET B 391 26.792 -29.707 -40.282 1.00 22.91 S +ATOM 5489 CE MET B 391 27.049 -30.399 -41.898 1.00 20.33 C +ATOM 5490 H MET B 391 23.589 -33.792 -39.145 1.00 15.00 H +ATOM 5491 N VAL B 392 21.802 -30.132 -39.042 1.00 4.58 N +ATOM 5492 CA VAL B 392 20.660 -29.572 -39.722 1.00 4.80 C +ATOM 5493 C VAL B 392 20.980 -28.128 -40.020 1.00 14.11 C +ATOM 5494 O VAL B 392 21.218 -27.336 -39.116 1.00 26.61 O +ATOM 5495 CB VAL B 392 19.401 -29.696 -38.862 1.00 13.26 C +ATOM 5496 CG1 VAL B 392 18.225 -29.065 -39.568 1.00 21.60 C +ATOM 5497 CG2 VAL B 392 19.109 -31.167 -38.585 1.00 2.00 C +ATOM 5498 H VAL B 392 22.098 -29.701 -38.217 1.00 15.00 H +ATOM 5499 N THR B 393 20.951 -27.778 -41.295 1.00 14.78 N +ATOM 5500 CA THR B 393 21.297 -26.433 -41.693 1.00 20.19 C +ATOM 5501 C THR B 393 20.337 -25.712 -42.645 1.00 24.68 C +ATOM 5502 O THR B 393 19.361 -26.288 -43.135 1.00 8.90 O +ATOM 5503 CB THR B 393 22.686 -26.468 -42.316 1.00 19.60 C +ATOM 5504 OG1 THR B 393 22.780 -27.606 -43.187 1.00 17.76 O +ATOM 5505 CG2 THR B 393 23.742 -26.583 -41.231 1.00 24.89 C +ATOM 5506 H THR B 393 20.674 -28.415 -41.986 1.00 15.00 H +ATOM 5507 HG1 THR B 393 22.568 -28.432 -42.734 1.00 15.00 H +ATOM 5508 N ASP B 394 20.636 -24.433 -42.868 1.00 32.13 N +ATOM 5509 CA ASP B 394 19.892 -23.558 -43.764 1.00 30.69 C +ATOM 5510 C ASP B 394 18.407 -23.804 -43.743 1.00 27.91 C +ATOM 5511 O ASP B 394 17.883 -24.434 -44.652 1.00 33.97 O +ATOM 5512 CB ASP B 394 20.388 -23.711 -45.209 1.00 40.82 C +ATOM 5513 CG ASP B 394 21.892 -23.562 -45.335 1.00 54.48 C +ATOM 5514 OD1 ASP B 394 22.455 -22.604 -44.759 1.00 58.71 O +ATOM 5515 OD2 ASP B 394 22.511 -24.406 -46.020 1.00 57.50 O +ATOM 5516 H ASP B 394 21.388 -24.055 -42.372 1.00 15.00 H +ATOM 5517 N PHE B 395 17.728 -23.338 -42.702 1.00 20.33 N +ATOM 5518 CA PHE B 395 16.286 -23.511 -42.640 1.00 10.80 C +ATOM 5519 C PHE B 395 15.583 -22.391 -41.919 1.00 2.39 C +ATOM 5520 O PHE B 395 16.147 -21.751 -41.043 1.00 6.08 O +ATOM 5521 CB PHE B 395 15.905 -24.881 -42.042 1.00 23.57 C +ATOM 5522 CG PHE B 395 16.296 -25.076 -40.591 1.00 29.90 C +ATOM 5523 CD1 PHE B 395 17.541 -25.589 -40.250 1.00 33.23 C +ATOM 5524 CD2 PHE B 395 15.395 -24.787 -39.563 1.00 26.81 C +ATOM 5525 CE1 PHE B 395 17.876 -25.808 -38.903 1.00 39.23 C +ATOM 5526 CE2 PHE B 395 15.729 -25.007 -38.213 1.00 25.02 C +ATOM 5527 CZ PHE B 395 16.961 -25.514 -37.887 1.00 22.39 C +ATOM 5528 H PHE B 395 18.190 -22.920 -41.945 1.00 15.00 H +ATOM 5529 N MET B 396 14.364 -22.106 -42.346 1.00 14.22 N +ATOM 5530 CA MET B 396 13.537 -21.066 -41.728 1.00 15.69 C +ATOM 5531 C MET B 396 12.104 -21.571 -41.766 1.00 14.81 C +ATOM 5532 O MET B 396 11.701 -22.207 -42.740 1.00 13.65 O +ATOM 5533 CB MET B 396 13.623 -19.751 -42.504 1.00 15.57 C +ATOM 5534 CG MET B 396 14.816 -18.885 -42.167 1.00 18.60 C +ATOM 5535 SD MET B 396 15.111 -17.691 -43.476 1.00 32.22 S +ATOM 5536 CE MET B 396 14.047 -16.348 -42.948 1.00 36.60 C +ATOM 5537 H MET B 396 13.998 -22.628 -43.091 1.00 15.00 H +ATOM 5538 N PRO B 397 11.313 -21.287 -40.720 1.00 6.93 N +ATOM 5539 CA PRO B 397 11.711 -20.527 -39.535 1.00 13.07 C +ATOM 5540 C PRO B 397 12.345 -21.369 -38.424 1.00 6.30 C +ATOM 5541 O PRO B 397 12.543 -22.565 -38.576 1.00 2.96 O +ATOM 5542 CB PRO B 397 10.394 -19.889 -39.097 1.00 19.76 C +ATOM 5543 CG PRO B 397 9.416 -20.958 -39.393 1.00 18.24 C +ATOM 5544 CD PRO B 397 9.858 -21.505 -40.736 1.00 2.00 C +ATOM 5545 N GLU B 398 12.650 -20.718 -37.309 1.00 10.83 N +ATOM 5546 CA GLU B 398 13.276 -21.365 -36.159 1.00 15.75 C +ATOM 5547 C GLU B 398 12.644 -22.721 -35.893 1.00 17.42 C +ATOM 5548 O GLU B 398 13.307 -23.751 -35.963 1.00 23.62 O +ATOM 5549 CB GLU B 398 13.102 -20.483 -34.923 1.00 16.75 C +ATOM 5550 CG GLU B 398 13.144 -18.976 -35.223 1.00 42.71 C +ATOM 5551 CD GLU B 398 12.692 -18.115 -34.047 1.00 54.88 C +ATOM 5552 OE1 GLU B 398 11.672 -18.461 -33.413 1.00 62.62 O +ATOM 5553 OE2 GLU B 398 13.349 -17.088 -33.760 1.00 61.50 O +ATOM 5554 H GLU B 398 12.433 -19.768 -37.310 1.00 15.00 H +ATOM 5555 N ASP B 399 11.332 -22.690 -35.686 1.00 13.84 N +ATOM 5556 CA ASP B 399 10.512 -23.851 -35.379 1.00 10.33 C +ATOM 5557 C ASP B 399 10.825 -25.126 -36.154 1.00 10.38 C +ATOM 5558 O ASP B 399 10.598 -25.184 -37.360 1.00 9.85 O +ATOM 5559 CB ASP B 399 9.040 -23.491 -35.556 1.00 7.64 C +ATOM 5560 CG ASP B 399 8.634 -22.271 -34.744 1.00 31.24 C +ATOM 5561 OD1 ASP B 399 8.955 -21.146 -35.181 1.00 34.42 O +ATOM 5562 OD2 ASP B 399 7.991 -22.427 -33.675 1.00 50.10 O +ATOM 5563 H ASP B 399 10.905 -21.818 -35.770 1.00 15.00 H +ATOM 5564 N ILE B 400 11.275 -26.160 -35.432 1.00 15.34 N +ATOM 5565 CA ILE B 400 11.617 -27.464 -36.006 1.00 6.01 C +ATOM 5566 C ILE B 400 11.536 -28.514 -34.915 1.00 5.78 C +ATOM 5567 O ILE B 400 11.328 -28.186 -33.745 1.00 13.65 O +ATOM 5568 CB ILE B 400 13.045 -27.467 -36.533 1.00 2.00 C +ATOM 5569 CG1 ILE B 400 13.311 -28.706 -37.381 1.00 2.00 C +ATOM 5570 CG2 ILE B 400 14.000 -27.396 -35.377 1.00 8.56 C +ATOM 5571 CD1 ILE B 400 14.561 -28.603 -38.245 1.00 4.43 C +ATOM 5572 H ILE B 400 11.381 -26.065 -34.459 1.00 15.00 H +ATOM 5573 N TYR B 401 11.699 -29.774 -35.307 1.00 6.26 N +ATOM 5574 CA TYR B 401 11.670 -30.892 -34.381 1.00 10.48 C +ATOM 5575 C TYR B 401 12.448 -32.037 -34.977 1.00 6.36 C +ATOM 5576 O TYR B 401 12.040 -32.581 -36.000 1.00 15.20 O +ATOM 5577 CB TYR B 401 10.233 -31.350 -34.133 1.00 7.99 C +ATOM 5578 CG TYR B 401 10.152 -32.674 -33.418 1.00 6.72 C +ATOM 5579 CD1 TYR B 401 10.262 -33.862 -34.117 1.00 6.79 C +ATOM 5580 CD2 TYR B 401 9.972 -32.736 -32.038 1.00 20.11 C +ATOM 5581 CE1 TYR B 401 10.195 -35.080 -33.472 1.00 26.57 C +ATOM 5582 CE2 TYR B 401 9.906 -33.956 -31.378 1.00 21.26 C +ATOM 5583 CZ TYR B 401 10.016 -35.123 -32.105 1.00 17.64 C +ATOM 5584 OH TYR B 401 9.931 -36.341 -31.484 1.00 30.04 O +ATOM 5585 H TYR B 401 11.745 -30.016 -36.254 1.00 15.00 H +ATOM 5586 HH TYR B 401 9.963 -36.222 -30.532 1.00 15.00 H +ATOM 5587 N VAL B 402 13.528 -32.435 -34.322 1.00 2.27 N +ATOM 5588 CA VAL B 402 14.333 -33.545 -34.814 1.00 11.08 C +ATOM 5589 C VAL B 402 14.509 -34.571 -33.707 1.00 10.09 C +ATOM 5590 O VAL B 402 14.604 -34.204 -32.543 1.00 20.73 O +ATOM 5591 CB VAL B 402 15.716 -33.079 -35.359 1.00 9.87 C +ATOM 5592 CG1 VAL B 402 15.918 -31.606 -35.120 1.00 10.74 C +ATOM 5593 CG2 VAL B 402 16.846 -33.883 -34.741 1.00 20.33 C +ATOM 5594 H VAL B 402 13.801 -32.024 -33.475 1.00 15.00 H +ATOM 5595 N GLU B 405 14.518 -35.847 -34.077 1.00 13.31 N +ATOM 5596 CA GLU B 405 14.659 -36.951 -33.132 1.00 19.50 C +ATOM 5597 C GLU B 405 15.503 -38.012 -33.834 1.00 22.28 C +ATOM 5598 O GLU B 405 15.790 -37.869 -35.025 1.00 31.06 O +ATOM 5599 CB GLU B 405 13.270 -37.525 -32.769 1.00 15.83 C +ATOM 5600 CG GLU B 405 12.613 -38.378 -33.872 1.00 29.32 C +ATOM 5601 CD GLU B 405 11.158 -38.794 -33.579 1.00 37.38 C +ATOM 5602 OE1 GLU B 405 10.706 -38.666 -32.417 1.00 28.61 O +ATOM 5603 OE2 GLU B 405 10.466 -39.252 -34.528 1.00 35.80 O +ATOM 5604 H GLU B 405 14.423 -36.061 -35.032 1.00 15.00 H +ATOM 5605 N TRP B 406 15.957 -39.026 -33.096 1.00 24.32 N +ATOM 5606 CA TRP B 406 16.757 -40.117 -33.668 1.00 16.09 C +ATOM 5607 C TRP B 406 15.892 -41.356 -33.571 1.00 19.84 C +ATOM 5608 O TRP B 406 15.105 -41.482 -32.636 1.00 22.43 O +ATOM 5609 CB TRP B 406 18.021 -40.342 -32.856 1.00 10.38 C +ATOM 5610 CG TRP B 406 19.158 -39.482 -33.233 1.00 6.49 C +ATOM 5611 CD1 TRP B 406 19.508 -38.284 -32.669 1.00 6.78 C +ATOM 5612 CD2 TRP B 406 20.130 -39.749 -34.252 1.00 2.00 C +ATOM 5613 NE1 TRP B 406 20.644 -37.790 -33.281 1.00 2.00 N +ATOM 5614 CE2 TRP B 406 21.042 -38.670 -34.256 1.00 2.00 C +ATOM 5615 CE3 TRP B 406 20.315 -40.791 -35.165 1.00 7.63 C +ATOM 5616 CZ2 TRP B 406 22.121 -38.609 -35.138 1.00 3.87 C +ATOM 5617 CZ3 TRP B 406 21.392 -40.729 -36.046 1.00 9.90 C +ATOM 5618 CH2 TRP B 406 22.279 -39.647 -36.025 1.00 9.52 C +ATOM 5619 H TRP B 406 15.731 -39.084 -32.147 1.00 15.00 H +ATOM 5620 HE1 TRP B 406 21.105 -36.963 -33.007 1.00 15.00 H +ATOM 5621 N THR B 407 16.035 -42.276 -34.512 1.00 23.52 N +ATOM 5622 CA THR B 407 15.232 -43.487 -34.489 1.00 27.96 C +ATOM 5623 C THR B 407 16.087 -44.677 -34.818 1.00 38.38 C +ATOM 5624 O THR B 407 17.079 -44.549 -35.532 1.00 40.07 O +ATOM 5625 CB THR B 407 14.124 -43.450 -35.537 1.00 29.52 C +ATOM 5626 OG1 THR B 407 14.688 -43.165 -36.826 1.00 43.37 O +ATOM 5627 CG2 THR B 407 13.099 -42.408 -35.185 1.00 33.21 C +ATOM 5628 H THR B 407 16.676 -42.171 -35.246 1.00 15.00 H +ATOM 5629 HG1 THR B 407 15.367 -43.807 -37.046 1.00 15.00 H +ATOM 5630 N ASN B 408 15.687 -45.836 -34.310 1.00 56.10 N +ATOM 5631 CA ASN B 408 16.403 -47.076 -34.571 1.00 75.66 C +ATOM 5632 C ASN B 408 15.393 -48.144 -34.933 1.00 88.50 C +ATOM 5633 O ASN B 408 14.555 -48.523 -34.114 1.00 92.72 O +ATOM 5634 CB ASN B 408 17.221 -47.533 -33.367 1.00 79.15 C +ATOM 5635 CG ASN B 408 18.073 -48.755 -33.678 1.00 86.23 C +ATOM 5636 OD1 ASN B 408 18.452 -48.993 -34.830 1.00 85.06 O +ATOM 5637 ND2 ASN B 408 18.375 -49.538 -32.653 1.00 88.90 N +ATOM 5638 H ASN B 408 14.886 -45.884 -33.743 1.00 15.00 H +ATOM 5639 HD21 ASN B 408 18.970 -50.296 -32.832 1.00 15.00 H +ATOM 5640 HD22 ASN B 408 18.024 -49.314 -31.771 1.00 15.00 H +ATOM 5641 N ASN B 410 15.455 -48.590 -36.183 1.00102.30 N +ATOM 5642 CA ASN B 410 14.551 -49.609 -36.714 1.00114.17 C +ATOM 5643 C ASN B 410 13.078 -49.306 -36.420 1.00120.06 C +ATOM 5644 O ASN B 410 12.283 -50.212 -36.156 1.00120.44 O +ATOM 5645 CB ASN B 410 14.933 -50.998 -36.194 1.00116.17 C +ATOM 5646 CG ASN B 410 14.639 -52.094 -37.199 1.00118.84 C +ATOM 5647 OD1 ASN B 410 15.457 -52.378 -38.077 1.00120.95 O +ATOM 5648 ND2 ASN B 410 13.467 -52.704 -37.090 1.00117.58 N +ATOM 5649 H ASN B 410 16.175 -48.224 -36.743 1.00 15.00 H +ATOM 5650 HD21 ASN B 410 13.276 -53.422 -37.721 1.00 15.00 H +ATOM 5651 HD22 ASN B 410 12.854 -52.401 -36.386 1.00 15.00 H +ATOM 5652 N GLY B 411 12.725 -48.023 -36.465 1.00124.96 N +ATOM 5653 CA GLY B 411 11.352 -47.623 -36.216 1.00132.24 C +ATOM 5654 C GLY B 411 11.089 -46.967 -34.872 1.00137.38 C +ATOM 5655 O GLY B 411 10.450 -45.915 -34.814 1.00137.84 O +ATOM 5656 H GLY B 411 13.390 -47.338 -36.664 1.00 15.00 H +ATOM 5657 N LYS B 414 11.572 -47.572 -33.791 1.00142.09 N +ATOM 5658 CA LYS B 414 11.350 -47.012 -32.459 1.00146.87 C +ATOM 5659 C LYS B 414 12.170 -45.748 -32.196 1.00147.57 C +ATOM 5660 O LYS B 414 13.321 -45.637 -32.636 1.00148.34 O +ATOM 5661 CB LYS B 414 11.576 -48.071 -31.358 1.00148.71 C +ATOM 5662 CG LYS B 414 12.970 -48.711 -31.298 1.00150.51 C +ATOM 5663 CD LYS B 414 12.989 -49.976 -30.416 1.00146.38 C +ATOM 5664 CE LYS B 414 12.892 -49.676 -28.921 1.00141.53 C +ATOM 5665 NZ LYS B 414 14.168 -49.146 -28.358 1.00136.53 N +ATOM 5666 H LYS B 414 12.098 -48.392 -33.889 1.00 15.00 H +ATOM 5667 HZ1 LYS B 414 14.431 -48.271 -28.855 1.00 15.00 H +ATOM 5668 HZ2 LYS B 414 14.034 -48.949 -27.345 1.00 15.00 H +ATOM 5669 HZ3 LYS B 414 14.920 -49.854 -28.479 1.00 15.00 H +ATOM 5670 N THR B 415 11.542 -44.772 -31.541 1.00148.24 N +ATOM 5671 CA THR B 415 12.203 -43.513 -31.207 1.00148.23 C +ATOM 5672 C THR B 415 13.365 -43.815 -30.260 1.00143.76 C +ATOM 5673 O THR B 415 13.167 -44.307 -29.144 1.00146.27 O +ATOM 5674 CB THR B 415 11.222 -42.515 -30.540 1.00151.76 C +ATOM 5675 OG1 THR B 415 10.063 -42.353 -31.372 1.00154.00 O +ATOM 5676 CG2 THR B 415 11.891 -41.152 -30.340 1.00152.50 C +ATOM 5677 H THR B 415 10.607 -44.870 -31.273 1.00 15.00 H +ATOM 5678 HG1 THR B 415 10.321 -41.935 -32.201 1.00 15.00 H +ATOM 5679 N GLU B 416 14.577 -43.554 -30.734 1.00135.01 N +ATOM 5680 CA GLU B 416 15.783 -43.812 -29.960 1.00125.86 C +ATOM 5681 C GLU B 416 15.899 -42.929 -28.720 1.00116.94 C +ATOM 5682 O GLU B 416 15.402 -41.802 -28.692 1.00116.73 O +ATOM 5683 CB GLU B 416 17.017 -43.645 -30.852 1.00129.99 C +ATOM 5684 CG GLU B 416 18.339 -44.002 -30.189 1.00136.57 C +ATOM 5685 CD GLU B 416 18.367 -45.422 -29.652 1.00144.89 C +ATOM 5686 OE1 GLU B 416 18.348 -46.371 -30.463 1.00150.10 O +ATOM 5687 OE2 GLU B 416 18.410 -45.592 -28.415 1.00152.13 O +ATOM 5688 H GLU B 416 14.657 -43.141 -31.615 1.00 15.00 H +ATOM 5689 N LEU B 417 16.521 -43.477 -27.682 1.00106.23 N +ATOM 5690 CA LEU B 417 16.736 -42.762 -26.431 1.00 95.28 C +ATOM 5691 C LEU B 417 18.191 -42.301 -26.470 1.00 87.25 C +ATOM 5692 O LEU B 417 18.961 -42.748 -27.316 1.00 82.04 O +ATOM 5693 CB LEU B 417 16.571 -43.705 -25.221 1.00 98.61 C +ATOM 5694 CG LEU B 417 15.528 -44.826 -25.056 1.00 98.52 C +ATOM 5695 CD1 LEU B 417 14.120 -44.297 -25.276 1.00101.86 C +ATOM 5696 CD2 LEU B 417 15.829 -45.998 -25.987 1.00 93.86 C +ATOM 5697 H LEU B 417 16.859 -44.384 -27.773 1.00 15.00 H +ATOM 5698 N ASN B 418 18.566 -41.421 -25.550 1.00 83.34 N +ATOM 5699 CA ASN B 418 19.943 -40.939 -25.449 1.00 78.85 C +ATOM 5700 C ASN B 418 20.482 -40.078 -26.587 1.00 67.73 C +ATOM 5701 O ASN B 418 21.610 -40.275 -27.046 1.00 72.18 O +ATOM 5702 CB ASN B 418 20.907 -42.107 -25.194 1.00 93.77 C +ATOM 5703 CG ASN B 418 20.623 -42.829 -23.889 1.00103.78 C +ATOM 5704 OD1 ASN B 418 19.931 -42.305 -23.011 1.00106.73 O +ATOM 5705 ND2 ASN B 418 21.155 -44.042 -23.756 1.00109.61 N +ATOM 5706 H ASN B 418 17.910 -41.090 -24.907 1.00 15.00 H +ATOM 5707 HD21 ASN B 418 20.988 -44.529 -22.924 1.00 15.00 H +ATOM 5708 HD22 ASN B 418 21.686 -44.384 -24.505 1.00 15.00 H +ATOM 5709 N TYR B 419 19.674 -39.139 -27.058 1.00 50.76 N +ATOM 5710 CA TYR B 419 20.113 -38.223 -28.096 1.00 25.45 C +ATOM 5711 C TYR B 419 19.809 -36.880 -27.465 1.00 17.47 C +ATOM 5712 O TYR B 419 18.883 -36.771 -26.676 1.00 5.50 O +ATOM 5713 CB TYR B 419 19.352 -38.433 -29.421 1.00 24.41 C +ATOM 5714 CG TYR B 419 17.912 -37.971 -29.436 1.00 20.97 C +ATOM 5715 CD1 TYR B 419 17.595 -36.640 -29.661 1.00 29.42 C +ATOM 5716 CD2 TYR B 419 16.872 -38.854 -29.180 1.00 24.43 C +ATOM 5717 CE1 TYR B 419 16.275 -36.194 -29.619 1.00 35.51 C +ATOM 5718 CE2 TYR B 419 15.543 -38.421 -29.136 1.00 25.07 C +ATOM 5719 CZ TYR B 419 15.252 -37.085 -29.351 1.00 31.69 C +ATOM 5720 OH TYR B 419 13.954 -36.619 -29.267 1.00 31.17 O +ATOM 5721 H TYR B 419 18.778 -39.010 -26.687 1.00 15.00 H +ATOM 5722 HH TYR B 419 13.967 -35.667 -29.426 1.00 15.00 H +ATOM 5723 N LYS B 420 20.635 -35.883 -27.730 1.00 19.38 N +ATOM 5724 CA LYS B 420 20.416 -34.565 -27.162 1.00 22.69 C +ATOM 5725 C LYS B 420 20.445 -33.529 -28.292 1.00 23.05 C +ATOM 5726 O LYS B 420 21.233 -33.655 -29.232 1.00 27.96 O +ATOM 5727 CB LYS B 420 21.477 -34.292 -26.102 1.00 16.82 C +ATOM 5728 CG LYS B 420 20.909 -33.814 -24.751 1.00 42.86 C +ATOM 5729 CD LYS B 420 19.805 -34.729 -24.188 1.00 48.88 C +ATOM 5730 CE LYS B 420 20.287 -36.166 -23.940 1.00 57.54 C +ATOM 5731 NZ LYS B 420 19.177 -37.089 -23.519 1.00 60.93 N +ATOM 5732 H LYS B 420 21.390 -36.030 -28.338 1.00 15.00 H +ATOM 5733 HZ1 LYS B 420 18.420 -37.061 -24.236 1.00 15.00 H +ATOM 5734 HZ2 LYS B 420 19.530 -38.064 -23.430 1.00 15.00 H +ATOM 5735 HZ3 LYS B 420 18.791 -36.766 -22.609 1.00 15.00 H +ATOM 5736 N ASN B 421 19.563 -32.536 -28.227 1.00 17.06 N +ATOM 5737 CA ASN B 421 19.488 -31.534 -29.283 1.00 14.64 C +ATOM 5738 C ASN B 421 19.893 -30.162 -28.860 1.00 16.05 C +ATOM 5739 O ASN B 421 19.466 -29.664 -27.809 1.00 16.06 O +ATOM 5740 CB ASN B 421 18.074 -31.406 -29.834 1.00 13.71 C +ATOM 5741 CG ASN B 421 17.642 -32.604 -30.622 1.00 11.22 C +ATOM 5742 OD1 ASN B 421 16.461 -32.925 -30.669 1.00 24.28 O +ATOM 5743 ND2 ASN B 421 18.580 -33.257 -31.267 1.00 2.00 N +ATOM 5744 H ASN B 421 18.968 -32.449 -27.461 1.00 15.00 H +ATOM 5745 HD21 ASN B 421 18.278 -34.053 -31.743 1.00 15.00 H +ATOM 5746 HD22 ASN B 421 19.497 -32.942 -31.232 1.00 15.00 H +ATOM 5747 N THR B 422 20.675 -29.523 -29.715 1.00 13.83 N +ATOM 5748 CA THR B 422 21.091 -28.160 -29.444 1.00 18.34 C +ATOM 5749 C THR B 422 19.875 -27.297 -29.745 1.00 15.63 C +ATOM 5750 O THR B 422 18.922 -27.752 -30.367 1.00 20.16 O +ATOM 5751 CB THR B 422 22.211 -27.716 -30.389 1.00 13.63 C +ATOM 5752 OG1 THR B 422 21.783 -27.890 -31.740 1.00 18.27 O +ATOM 5753 CG2 THR B 422 23.461 -28.553 -30.172 1.00 22.26 C +ATOM 5754 H THR B 422 20.945 -29.937 -30.563 1.00 15.00 H +ATOM 5755 HG1 THR B 422 20.895 -27.527 -31.858 1.00 15.00 H +ATOM 5756 N GLU B 423 19.870 -26.076 -29.247 1.00 15.47 N +ATOM 5757 CA GLU B 423 18.782 -25.175 -29.549 1.00 14.56 C +ATOM 5758 C GLU B 423 19.260 -24.627 -30.903 1.00 14.55 C +ATOM 5759 O GLU B 423 20.461 -24.696 -31.207 1.00 16.04 O +ATOM 5760 CB GLU B 423 18.700 -24.071 -28.485 1.00 31.75 C +ATOM 5761 CG GLU B 423 17.407 -23.245 -28.468 1.00 50.59 C +ATOM 5762 CD GLU B 423 16.232 -23.945 -27.794 1.00 62.11 C +ATOM 5763 OE1 GLU B 423 15.944 -25.122 -28.119 1.00 59.08 O +ATOM 5764 OE2 GLU B 423 15.582 -23.296 -26.942 1.00 65.85 O +ATOM 5765 H GLU B 423 20.603 -25.774 -28.679 1.00 15.00 H +ATOM 5766 N PRO B 424 18.327 -24.230 -31.785 1.00 15.79 N +ATOM 5767 CA PRO B 424 18.647 -23.687 -33.109 1.00 11.89 C +ATOM 5768 C PRO B 424 19.352 -22.338 -33.058 1.00 10.58 C +ATOM 5769 O PRO B 424 18.914 -21.418 -32.340 1.00 3.09 O +ATOM 5770 CB PRO B 424 17.277 -23.568 -33.751 1.00 5.94 C +ATOM 5771 CG PRO B 424 16.577 -24.735 -33.199 1.00 18.61 C +ATOM 5772 CD PRO B 424 16.901 -24.586 -31.734 1.00 24.49 C +ATOM 5773 N VAL B 425 20.420 -22.218 -33.846 1.00 3.95 N +ATOM 5774 CA VAL B 425 21.209 -20.995 -33.890 1.00 10.36 C +ATOM 5775 C VAL B 425 21.100 -20.296 -35.243 1.00 10.86 C +ATOM 5776 O VAL B 425 21.022 -20.946 -36.288 1.00 18.13 O +ATOM 5777 CB VAL B 425 22.688 -21.296 -33.565 1.00 3.39 C +ATOM 5778 CG1 VAL B 425 23.530 -20.030 -33.645 1.00 7.42 C +ATOM 5779 CG2 VAL B 425 22.788 -21.890 -32.181 1.00 2.00 C +ATOM 5780 H VAL B 425 20.691 -22.973 -34.415 1.00 15.00 H +ATOM 5781 N LEU B 426 21.096 -18.970 -35.212 1.00 8.22 N +ATOM 5782 CA LEU B 426 20.990 -18.151 -36.417 1.00 6.40 C +ATOM 5783 C LEU B 426 22.320 -18.021 -37.118 1.00 5.28 C +ATOM 5784 O LEU B 426 23.216 -17.348 -36.631 1.00 10.75 O +ATOM 5785 CB LEU B 426 20.473 -16.761 -36.044 1.00 14.94 C +ATOM 5786 CG LEU B 426 20.100 -15.792 -37.165 1.00 20.11 C +ATOM 5787 CD1 LEU B 426 19.390 -16.507 -38.293 1.00 19.33 C +ATOM 5788 CD2 LEU B 426 19.215 -14.714 -36.582 1.00 3.11 C +ATOM 5789 H LEU B 426 21.188 -18.514 -34.352 1.00 15.00 H +ATOM 5790 N ASP B 427 22.442 -18.698 -38.251 1.00 11.70 N +ATOM 5791 CA ASP B 427 23.649 -18.701 -39.062 1.00 2.00 C +ATOM 5792 C ASP B 427 23.822 -17.322 -39.641 1.00 18.94 C +ATOM 5793 O ASP B 427 22.948 -16.459 -39.504 1.00 27.96 O +ATOM 5794 CB ASP B 427 23.454 -19.658 -40.212 1.00 2.00 C +ATOM 5795 CG ASP B 427 24.711 -20.375 -40.600 1.00 9.33 C +ATOM 5796 OD1 ASP B 427 25.820 -19.811 -40.448 1.00 2.00 O +ATOM 5797 OD2 ASP B 427 24.563 -21.523 -41.077 1.00 3.58 O +ATOM 5798 H ASP B 427 21.668 -19.204 -38.546 1.00 15.00 H +ATOM 5799 N SER B 428 24.919 -17.141 -40.357 1.00 26.14 N +ATOM 5800 CA SER B 428 25.230 -15.873 -41.003 1.00 42.28 C +ATOM 5801 C SER B 428 24.149 -15.418 -41.995 1.00 42.22 C +ATOM 5802 O SER B 428 23.634 -14.297 -41.895 1.00 44.17 O +ATOM 5803 CB SER B 428 26.586 -15.996 -41.711 1.00 50.09 C +ATOM 5804 OG SER B 428 26.793 -17.319 -42.206 1.00 57.50 O +ATOM 5805 H SER B 428 25.576 -17.845 -40.487 1.00 15.00 H +ATOM 5806 HG SER B 428 27.655 -17.344 -42.640 1.00 15.00 H +ATOM 5807 N ASP B 430 23.778 -16.305 -42.921 1.00 38.65 N +ATOM 5808 CA ASP B 430 22.776 -15.982 -43.939 1.00 34.44 C +ATOM 5809 C ASP B 430 21.306 -15.983 -43.512 1.00 33.67 C +ATOM 5810 O ASP B 430 20.435 -16.394 -44.280 1.00 42.32 O +ATOM 5811 CB ASP B 430 22.968 -16.836 -45.210 1.00 22.98 C +ATOM 5812 CG ASP B 430 22.920 -18.324 -44.953 1.00 27.73 C +ATOM 5813 OD1 ASP B 430 22.081 -18.766 -44.145 1.00 27.32 O +ATOM 5814 OD2 ASP B 430 23.714 -19.056 -45.590 1.00 35.73 O +ATOM 5815 H ASP B 430 24.200 -17.189 -42.905 1.00 15.00 H +ATOM 5816 N GLY B 433 21.025 -15.515 -42.304 1.00 26.87 N +ATOM 5817 CA GLY B 433 19.653 -15.480 -41.838 1.00 31.01 C +ATOM 5818 C GLY B 433 18.953 -16.820 -41.624 1.00 33.31 C +ATOM 5819 O GLY B 433 17.825 -16.843 -41.122 1.00 38.11 O +ATOM 5820 H GLY B 433 21.735 -15.176 -41.711 1.00 15.00 H +ATOM 5821 N SER B 434 19.580 -17.925 -42.018 1.00 22.88 N +ATOM 5822 CA SER B 434 18.972 -19.228 -41.827 1.00 23.66 C +ATOM 5823 C SER B 434 19.416 -19.793 -40.482 1.00 27.92 C +ATOM 5824 O SER B 434 20.316 -19.253 -39.845 1.00 37.06 O +ATOM 5825 CB SER B 434 19.396 -20.174 -42.945 1.00 31.52 C +ATOM 5826 OG SER B 434 20.711 -20.665 -42.744 1.00 41.20 O +ATOM 5827 H SER B 434 20.455 -17.885 -42.432 1.00 15.00 H +ATOM 5828 HG SER B 434 21.045 -21.026 -43.571 1.00 15.00 H +ATOM 5829 N TYR B 435 18.790 -20.884 -40.062 1.00 24.62 N +ATOM 5830 CA TYR B 435 19.127 -21.535 -38.803 1.00 21.29 C +ATOM 5831 C TYR B 435 19.781 -22.894 -39.005 1.00 26.09 C +ATOM 5832 O TYR B 435 19.628 -23.520 -40.066 1.00 36.99 O +ATOM 5833 CB TYR B 435 17.875 -21.719 -37.955 1.00 13.01 C +ATOM 5834 CG TYR B 435 17.326 -20.429 -37.418 1.00 8.83 C +ATOM 5835 CD1 TYR B 435 17.762 -19.922 -36.197 1.00 12.75 C +ATOM 5836 CD2 TYR B 435 16.358 -19.719 -38.114 1.00 5.60 C +ATOM 5837 CE1 TYR B 435 17.242 -18.728 -35.677 1.00 15.23 C +ATOM 5838 CE2 TYR B 435 15.831 -18.524 -37.600 1.00 14.50 C +ATOM 5839 CZ TYR B 435 16.279 -18.038 -36.384 1.00 9.80 C +ATOM 5840 OH TYR B 435 15.762 -16.864 -35.872 1.00 29.23 O +ATOM 5841 H TYR B 435 18.061 -21.272 -40.587 1.00 15.00 H +ATOM 5842 HH TYR B 435 15.155 -16.475 -36.508 1.00 15.00 H +ATOM 5843 N PHE B 436 20.542 -23.328 -38.003 1.00 19.99 N +ATOM 5844 CA PHE B 436 21.204 -24.632 -38.026 1.00 9.97 C +ATOM 5845 C PHE B 436 21.113 -25.171 -36.623 1.00 8.69 C +ATOM 5846 O PHE B 436 20.743 -24.434 -35.702 1.00 8.55 O +ATOM 5847 CB PHE B 436 22.683 -24.536 -38.450 1.00 10.79 C +ATOM 5848 CG PHE B 436 23.573 -23.853 -37.448 1.00 15.97 C +ATOM 5849 CD1 PHE B 436 23.493 -22.473 -37.239 1.00 29.93 C +ATOM 5850 CD2 PHE B 436 24.482 -24.586 -36.695 1.00 16.01 C +ATOM 5851 CE1 PHE B 436 24.307 -21.830 -36.284 1.00 26.65 C +ATOM 5852 CE2 PHE B 436 25.297 -23.959 -35.742 1.00 13.60 C +ATOM 5853 CZ PHE B 436 25.206 -22.574 -35.537 1.00 13.91 C +ATOM 5854 H PHE B 436 20.681 -22.763 -37.213 1.00 15.00 H +ATOM 5855 N MET B 437 21.415 -26.453 -36.465 1.00 5.86 N +ATOM 5856 CA MET B 437 21.389 -27.092 -35.159 1.00 4.55 C +ATOM 5857 C MET B 437 21.743 -28.556 -35.301 1.00 5.51 C +ATOM 5858 O MET B 437 21.564 -29.131 -36.373 1.00 20.42 O +ATOM 5859 CB MET B 437 20.038 -26.901 -34.477 1.00 2.00 C +ATOM 5860 CG MET B 437 18.898 -27.531 -35.179 1.00 16.31 C +ATOM 5861 SD MET B 437 18.499 -29.125 -34.485 1.00 30.53 S +ATOM 5862 CE MET B 437 17.079 -28.666 -33.468 1.00 2.00 C +ATOM 5863 H MET B 437 21.631 -27.013 -37.245 1.00 15.00 H +ATOM 5864 N TYR B 438 22.302 -29.136 -34.239 1.00 8.21 N +ATOM 5865 CA TYR B 438 22.731 -30.532 -34.241 1.00 3.67 C +ATOM 5866 C TYR B 438 22.002 -31.383 -33.219 1.00 6.18 C +ATOM 5867 O TYR B 438 21.423 -30.877 -32.244 1.00 6.45 O +ATOM 5868 CB TYR B 438 24.217 -30.653 -33.940 1.00 2.00 C +ATOM 5869 CG TYR B 438 25.172 -29.916 -34.856 1.00 2.00 C +ATOM 5870 CD1 TYR B 438 25.359 -28.535 -34.748 1.00 2.00 C +ATOM 5871 CD2 TYR B 438 25.936 -30.610 -35.792 1.00 2.76 C +ATOM 5872 CE1 TYR B 438 26.286 -27.868 -35.553 1.00 2.00 C +ATOM 5873 CE2 TYR B 438 26.869 -29.948 -36.605 1.00 2.00 C +ATOM 5874 CZ TYR B 438 27.029 -28.583 -36.478 1.00 2.00 C +ATOM 5875 OH TYR B 438 27.903 -27.931 -37.303 1.00 8.32 O +ATOM 5876 H TYR B 438 22.383 -28.645 -33.397 1.00 15.00 H +ATOM 5877 HH TYR B 438 28.324 -28.563 -37.906 1.00 15.00 H +ATOM 5878 N SER B 439 22.054 -32.689 -33.443 1.00 3.93 N +ATOM 5879 CA SER B 439 21.432 -33.660 -32.555 1.00 5.65 C +ATOM 5880 C SER B 439 22.480 -34.710 -32.382 1.00 13.71 C +ATOM 5881 O SER B 439 22.826 -35.404 -33.346 1.00 15.93 O +ATOM 5882 CB SER B 439 20.226 -34.330 -33.203 1.00 11.66 C +ATOM 5883 OG SER B 439 19.708 -35.358 -32.365 1.00 2.00 O +ATOM 5884 H SER B 439 22.518 -33.017 -34.244 1.00 15.00 H +ATOM 5885 HG SER B 439 19.018 -35.800 -32.874 1.00 15.00 H +ATOM 5886 N LYS B 440 22.965 -34.830 -31.155 1.00 14.55 N +ATOM 5887 CA LYS B 440 24.009 -35.779 -30.801 1.00 17.29 C +ATOM 5888 C LYS B 440 23.377 -37.070 -30.313 1.00 11.96 C +ATOM 5889 O LYS B 440 22.368 -37.037 -29.605 1.00 14.98 O +ATOM 5890 CB LYS B 440 24.841 -35.158 -29.680 1.00 21.57 C +ATOM 5891 CG LYS B 440 26.105 -35.878 -29.302 1.00 34.44 C +ATOM 5892 CD LYS B 440 26.781 -35.137 -28.153 1.00 30.01 C +ATOM 5893 CE LYS B 440 26.820 -35.976 -26.882 1.00 37.11 C +ATOM 5894 NZ LYS B 440 25.477 -36.436 -26.370 1.00 24.14 N +ATOM 5895 H LYS B 440 22.601 -34.263 -30.446 1.00 15.00 H +ATOM 5896 HZ1 LYS B 440 24.866 -35.608 -26.216 1.00 15.00 H +ATOM 5897 HZ2 LYS B 440 25.044 -37.068 -27.073 1.00 15.00 H +ATOM 5898 HZ3 LYS B 440 25.600 -36.944 -25.472 1.00 15.00 H +ATOM 5899 N LEU B 441 23.948 -38.201 -30.708 1.00 6.77 N +ATOM 5900 CA LEU B 441 23.444 -39.497 -30.270 1.00 13.48 C +ATOM 5901 C LEU B 441 24.618 -40.327 -29.815 1.00 21.68 C +ATOM 5902 O LEU B 441 25.598 -40.487 -30.550 1.00 30.40 O +ATOM 5903 CB LEU B 441 22.722 -40.234 -31.390 1.00 2.90 C +ATOM 5904 CG LEU B 441 22.243 -41.635 -31.009 1.00 7.69 C +ATOM 5905 CD1 LEU B 441 21.241 -41.550 -29.890 1.00 2.26 C +ATOM 5906 CD2 LEU B 441 21.649 -42.353 -32.212 1.00 5.98 C +ATOM 5907 H LEU B 441 24.733 -38.170 -31.287 1.00 15.00 H +ATOM 5908 N ARG B 442 24.526 -40.831 -28.591 1.00 28.25 N +ATOM 5909 CA ARG B 442 25.574 -41.661 -28.005 1.00 39.58 C +ATOM 5910 C ARG B 442 25.148 -43.116 -28.083 1.00 39.64 C +ATOM 5911 O ARG B 442 24.050 -43.468 -27.650 1.00 38.84 O +ATOM 5912 CB ARG B 442 25.764 -41.315 -26.528 1.00 43.47 C +ATOM 5913 CG ARG B 442 26.464 -40.022 -26.252 1.00 57.19 C +ATOM 5914 CD ARG B 442 27.970 -40.170 -26.358 1.00 65.44 C +ATOM 5915 NE ARG B 442 28.639 -39.019 -25.759 1.00 76.92 N +ATOM 5916 CZ ARG B 442 28.549 -38.686 -24.472 1.00 80.31 C +ATOM 5917 NH1 ARG B 442 27.840 -39.430 -23.628 1.00 73.36 N +ATOM 5918 NH2 ARG B 442 29.189 -37.616 -24.022 1.00 83.89 N +ATOM 5919 H ARG B 442 23.707 -40.683 -28.065 1.00 15.00 H +ATOM 5920 HE ARG B 442 29.199 -38.461 -26.337 1.00 15.00 H +ATOM 5921 HH11 ARG B 442 27.372 -40.254 -23.944 1.00 15.00 H +ATOM 5922 HH12 ARG B 442 27.780 -39.169 -22.665 1.00 15.00 H +ATOM 5923 HH21 ARG B 442 29.743 -37.066 -24.645 1.00 15.00 H +ATOM 5924 HH22 ARG B 442 29.123 -37.366 -23.055 1.00 15.00 H +ATOM 5925 N VAL B 443 26.010 -43.971 -28.609 1.00 40.48 N +ATOM 5926 CA VAL B 443 25.683 -45.385 -28.691 1.00 48.20 C +ATOM 5927 C VAL B 443 26.887 -46.291 -28.442 1.00 59.36 C +ATOM 5928 O VAL B 443 28.030 -45.891 -28.649 1.00 64.24 O +ATOM 5929 CB VAL B 443 25.054 -45.740 -30.042 1.00 47.44 C +ATOM 5930 CG1 VAL B 443 23.726 -45.041 -30.195 1.00 42.35 C +ATOM 5931 CG2 VAL B 443 25.989 -45.378 -31.178 1.00 40.85 C +ATOM 5932 H VAL B 443 26.881 -43.659 -28.940 1.00 15.00 H +ATOM 5933 N GLU B 444 26.616 -47.518 -28.002 1.00 70.01 N +ATOM 5934 CA GLU B 444 27.661 -48.508 -27.718 1.00 79.01 C +ATOM 5935 C GLU B 444 28.270 -49.023 -29.025 1.00 75.52 C +ATOM 5936 O GLU B 444 27.593 -49.696 -29.808 1.00 73.59 O +ATOM 5937 CB GLU B 444 27.106 -49.694 -26.900 1.00 91.83 C +ATOM 5938 CG GLU B 444 25.642 -49.589 -26.415 1.00108.64 C +ATOM 5939 CD GLU B 444 25.433 -48.609 -25.259 1.00118.32 C +ATOM 5940 OE1 GLU B 444 26.245 -48.611 -24.308 1.00122.28 O +ATOM 5941 OE2 GLU B 444 24.436 -47.851 -25.289 1.00127.83 O +ATOM 5942 H GLU B 444 25.673 -47.729 -27.885 1.00 15.00 H +ATOM 5943 N LYS B 445 29.550 -48.726 -29.227 1.00 70.76 N +ATOM 5944 CA LYS B 445 30.305 -49.102 -30.419 1.00 75.31 C +ATOM 5945 C LYS B 445 29.894 -50.389 -31.113 1.00 79.27 C +ATOM 5946 O LYS B 445 29.895 -50.453 -32.344 1.00 81.23 O +ATOM 5947 CB LYS B 445 31.798 -49.154 -30.101 1.00 80.36 C +ATOM 5948 CG LYS B 445 32.681 -49.350 -31.323 1.00 87.97 C +ATOM 5949 CD LYS B 445 34.151 -49.419 -30.939 1.00103.00 C +ATOM 5950 CE LYS B 445 35.050 -49.618 -32.158 1.00113.96 C +ATOM 5951 NZ LYS B 445 34.852 -50.939 -32.831 1.00124.74 N +ATOM 5952 H LYS B 445 29.993 -48.182 -28.555 1.00 15.00 H +ATOM 5953 HZ1 LYS B 445 33.863 -51.028 -33.142 1.00 15.00 H +ATOM 5954 HZ2 LYS B 445 35.481 -51.001 -33.657 1.00 15.00 H +ATOM 5955 HZ3 LYS B 445 35.079 -51.709 -32.170 1.00 15.00 H +ATOM 5956 N LYS B 446 29.550 -51.412 -30.335 1.00 86.83 N +ATOM 5957 CA LYS B 446 29.143 -52.693 -30.912 1.00 91.91 C +ATOM 5958 C LYS B 446 28.032 -52.504 -31.940 1.00 92.00 C +ATOM 5959 O LYS B 446 28.168 -52.913 -33.095 1.00 89.82 O +ATOM 5960 CB LYS B 446 28.716 -53.691 -29.822 1.00 95.20 C +ATOM 5961 CG LYS B 446 27.641 -53.200 -28.864 1.00 98.56 C +ATOM 5962 CD LYS B 446 27.250 -54.285 -27.868 1.00104.87 C +ATOM 5963 CE LYS B 446 26.670 -55.514 -28.564 1.00105.95 C +ATOM 5964 NZ LYS B 446 26.225 -56.547 -27.585 1.00110.93 N +ATOM 5965 H LYS B 446 29.588 -51.291 -29.366 1.00 15.00 H +ATOM 5966 HZ1 LYS B 446 25.501 -56.133 -26.963 1.00 15.00 H +ATOM 5967 HZ2 LYS B 446 25.827 -57.364 -28.089 1.00 15.00 H +ATOM 5968 HZ3 LYS B 446 27.040 -56.848 -27.014 1.00 15.00 H +ATOM 5969 N ASN B 447 26.990 -51.784 -31.536 1.00 91.90 N +ATOM 5970 CA ASN B 447 25.836 -51.508 -32.390 1.00 91.23 C +ATOM 5971 C ASN B 447 26.207 -50.744 -33.661 1.00 91.51 C +ATOM 5972 O ASN B 447 25.540 -50.877 -34.689 1.00 95.53 O +ATOM 5973 CB ASN B 447 24.788 -50.690 -31.626 1.00 87.53 C +ATOM 5974 CG ASN B 447 24.277 -51.396 -30.393 1.00 84.07 C +ATOM 5975 OD1 ASN B 447 23.312 -52.156 -30.452 1.00 87.60 O +ATOM 5976 ND2 ASN B 447 24.912 -51.136 -29.260 1.00 80.12 N +ATOM 5977 H ASN B 447 27.025 -51.404 -30.638 1.00 15.00 H +ATOM 5978 HD21 ASN B 447 24.564 -51.599 -28.468 1.00 15.00 H +ATOM 5979 HD22 ASN B 447 25.668 -50.513 -29.267 1.00 15.00 H +ATOM 5980 N TRP B 448 27.259 -49.934 -33.583 1.00 88.35 N +ATOM 5981 CA TRP B 448 27.706 -49.129 -34.715 1.00 86.79 C +ATOM 5982 C TRP B 448 28.362 -49.951 -35.828 1.00 93.86 C +ATOM 5983 O TRP B 448 27.896 -49.936 -36.971 1.00 86.71 O +ATOM 5984 CB TRP B 448 28.640 -48.016 -34.216 1.00 75.39 C +ATOM 5985 CG TRP B 448 29.274 -47.164 -35.278 1.00 68.02 C +ATOM 5986 CD1 TRP B 448 30.610 -47.021 -35.515 1.00 69.56 C +ATOM 5987 CD2 TRP B 448 28.609 -46.324 -36.226 1.00 66.29 C +ATOM 5988 NE1 TRP B 448 30.819 -46.145 -36.549 1.00 68.64 N +ATOM 5989 CE2 TRP B 448 29.609 -45.701 -37.006 1.00 68.51 C +ATOM 5990 CE3 TRP B 448 27.268 -46.036 -36.493 1.00 65.92 C +ATOM 5991 CZ2 TRP B 448 29.309 -44.809 -38.035 1.00 66.60 C +ATOM 5992 CZ3 TRP B 448 26.972 -45.148 -37.517 1.00 69.08 C +ATOM 5993 CH2 TRP B 448 27.991 -44.545 -38.275 1.00 63.96 C +ATOM 5994 H TRP B 448 27.771 -49.897 -32.752 1.00 15.00 H +ATOM 5995 HE1 TRP B 448 31.699 -45.880 -36.895 1.00 15.00 H +ATOM 5996 N VAL B 449 29.418 -50.688 -35.492 1.00106.92 N +ATOM 5997 CA VAL B 449 30.129 -51.498 -36.483 1.00121.27 C +ATOM 5998 C VAL B 449 29.332 -52.686 -37.005 1.00133.13 C +ATOM 5999 O VAL B 449 29.548 -53.125 -38.136 1.00135.76 O +ATOM 6000 CB VAL B 449 31.508 -52.003 -35.975 1.00119.32 C +ATOM 6001 CG1 VAL B 449 32.452 -50.834 -35.752 1.00116.24 C +ATOM 6002 CG2 VAL B 449 31.347 -52.829 -34.707 1.00120.05 C +ATOM 6003 H VAL B 449 29.709 -50.691 -34.552 1.00 15.00 H +ATOM 6004 N GLU B 450 28.427 -53.221 -36.187 1.00145.89 N +ATOM 6005 CA GLU B 450 27.612 -54.357 -36.618 1.00157.66 C +ATOM 6006 C GLU B 450 26.495 -53.896 -37.556 1.00160.76 C +ATOM 6007 O GLU B 450 25.766 -54.716 -38.121 1.00163.97 O +ATOM 6008 CB GLU B 450 27.049 -55.135 -35.415 1.00163.83 C +ATOM 6009 CG GLU B 450 25.955 -54.433 -34.603 1.00171.89 C +ATOM 6010 CD GLU B 450 24.545 -54.684 -35.127 1.00177.15 C +ATOM 6011 OE1 GLU B 450 24.281 -55.782 -35.668 1.00180.26 O +ATOM 6012 OE2 GLU B 450 23.695 -53.780 -34.985 1.00179.72 O +ATOM 6013 H GLU B 450 28.304 -52.860 -35.282 1.00 15.00 H +ATOM 6014 N ARG B 451 26.418 -52.578 -37.746 1.00162.33 N +ATOM 6015 CA ARG B 451 25.430 -51.914 -38.594 1.00161.82 C +ATOM 6016 C ARG B 451 24.023 -52.013 -38.022 1.00153.56 C +ATOM 6017 O ARG B 451 23.478 -53.105 -37.834 1.00155.81 O +ATOM 6018 CB ARG B 451 25.464 -52.430 -40.042 1.00171.99 C +ATOM 6019 CG ARG B 451 25.077 -51.371 -41.088 1.00186.43 C +ATOM 6020 CD ARG B 451 23.611 -50.939 -40.998 1.00197.70 C +ATOM 6021 NE ARG B 451 23.412 -49.543 -41.395 1.00207.57 N +ATOM 6022 CZ ARG B 451 22.235 -48.921 -41.402 1.00212.71 C +ATOM 6023 NH1 ARG B 451 21.133 -49.566 -41.043 1.00214.53 N +ATOM 6024 NH2 ARG B 451 22.156 -47.649 -41.773 1.00214.27 N +ATOM 6025 H ARG B 451 27.040 -51.990 -37.280 1.00 15.00 H +ATOM 6026 HE ARG B 451 24.198 -49.028 -41.671 1.00 15.00 H +ATOM 6027 HH11 ARG B 451 21.181 -50.524 -40.762 1.00 15.00 H +ATOM 6028 HH12 ARG B 451 20.252 -49.092 -41.047 1.00 15.00 H +ATOM 6029 HH21 ARG B 451 22.979 -47.152 -42.048 1.00 15.00 H +ATOM 6030 HH22 ARG B 451 21.269 -47.188 -41.775 1.00 15.00 H +ATOM 6031 N ASN B 452 23.444 -50.852 -37.738 1.00139.11 N +ATOM 6032 CA ASN B 452 22.096 -50.778 -37.197 1.00121.73 C +ATOM 6033 C ASN B 452 21.380 -49.613 -37.863 1.00109.45 C +ATOM 6034 O ASN B 452 22.013 -48.714 -38.422 1.00105.68 O +ATOM 6035 CB ASN B 452 22.132 -50.605 -35.674 1.00121.18 C +ATOM 6036 CG ASN B 452 20.770 -50.829 -35.013 1.00120.89 C +ATOM 6037 OD1 ASN B 452 20.588 -50.493 -33.844 1.00120.33 O +ATOM 6038 ND2 ASN B 452 19.826 -51.430 -35.740 1.00118.60 N +ATOM 6039 H ASN B 452 23.928 -50.015 -37.906 1.00 15.00 H +ATOM 6040 HD21 ASN B 452 18.944 -51.462 -35.312 1.00 15.00 H +ATOM 6041 HD22 ASN B 452 19.980 -51.790 -36.634 1.00 15.00 H +ATOM 6042 N SER B 453 20.058 -49.641 -37.806 1.00 96.05 N +ATOM 6043 CA SER B 453 19.229 -48.623 -38.418 1.00 85.78 C +ATOM 6044 C SER B 453 19.048 -47.335 -37.612 1.00 75.60 C +ATOM 6045 O SER B 453 17.945 -47.033 -37.156 1.00 74.96 O +ATOM 6046 CB SER B 453 17.875 -49.247 -38.766 1.00 92.07 C +ATOM 6047 OG SER B 453 17.654 -50.428 -38.002 1.00 97.57 O +ATOM 6048 H SER B 453 19.547 -50.331 -37.339 1.00 15.00 H +ATOM 6049 HG SER B 453 16.868 -50.910 -38.310 1.00 15.00 H +ATOM 6050 N TYR B 454 20.129 -46.581 -37.433 1.00 63.14 N +ATOM 6051 CA TYR B 454 20.054 -45.314 -36.712 1.00 50.46 C +ATOM 6052 C TYR B 454 19.795 -44.233 -37.738 1.00 46.97 C +ATOM 6053 O TYR B 454 20.533 -44.102 -38.723 1.00 35.23 O +ATOM 6054 CB TYR B 454 21.335 -45.014 -35.945 1.00 46.02 C +ATOM 6055 CG TYR B 454 21.449 -45.829 -34.695 1.00 43.92 C +ATOM 6056 CD1 TYR B 454 20.631 -45.566 -33.601 1.00 47.30 C +ATOM 6057 CD2 TYR B 454 22.325 -46.913 -34.625 1.00 40.54 C +ATOM 6058 CE1 TYR B 454 20.676 -46.369 -32.465 1.00 55.77 C +ATOM 6059 CE2 TYR B 454 22.381 -47.724 -33.498 1.00 47.51 C +ATOM 6060 CZ TYR B 454 21.551 -47.453 -32.418 1.00 56.89 C +ATOM 6061 OH TYR B 454 21.578 -48.275 -31.305 1.00 62.66 O +ATOM 6062 H TYR B 454 20.983 -46.870 -37.818 1.00 15.00 H +ATOM 6063 HH TYR B 454 22.064 -49.079 -31.527 1.00 15.00 H +ATOM 6064 N SER B 455 18.741 -43.461 -37.505 1.00 43.38 N +ATOM 6065 CA SER B 455 18.365 -42.421 -38.433 1.00 36.57 C +ATOM 6066 C SER B 455 17.952 -41.128 -37.749 1.00 32.80 C +ATOM 6067 O SER B 455 17.337 -41.140 -36.676 1.00 29.94 O +ATOM 6068 CB SER B 455 17.218 -42.933 -39.298 1.00 42.88 C +ATOM 6069 OG SER B 455 17.500 -44.236 -39.787 1.00 58.18 O +ATOM 6070 H SER B 455 18.213 -43.579 -36.695 1.00 15.00 H +ATOM 6071 HG SER B 455 17.630 -44.818 -39.033 1.00 15.00 H +ATOM 6072 N CYS B 456 18.349 -40.011 -38.352 1.00 24.30 N +ATOM 6073 CA CYS B 456 17.991 -38.693 -37.839 1.00 21.21 C +ATOM 6074 C CYS B 456 16.665 -38.404 -38.538 1.00 23.21 C +ATOM 6075 O CYS B 456 16.578 -38.489 -39.769 1.00 29.37 O +ATOM 6076 CB CYS B 456 19.042 -37.645 -38.237 1.00 5.32 C +ATOM 6077 SG CYS B 456 18.741 -36.006 -37.506 1.00 19.60 S +ATOM 6078 H CYS B 456 18.845 -40.075 -39.201 1.00 15.00 H +ATOM 6079 N SER B 457 15.631 -38.098 -37.768 1.00 18.86 N +ATOM 6080 CA SER B 457 14.304 -37.846 -38.325 1.00 20.42 C +ATOM 6081 C SER B 457 13.838 -36.424 -38.048 1.00 14.60 C +ATOM 6082 O SER B 457 13.465 -36.123 -36.922 1.00 23.82 O +ATOM 6083 CB SER B 457 13.320 -38.854 -37.711 1.00 17.23 C +ATOM 6084 OG SER B 457 11.966 -38.477 -37.889 1.00 36.90 O +ATOM 6085 H SER B 457 15.749 -38.039 -36.809 1.00 15.00 H +ATOM 6086 HG SER B 457 11.811 -37.750 -37.266 1.00 15.00 H +ATOM 6087 N VAL B 458 13.826 -35.566 -39.068 1.00 16.37 N +ATOM 6088 CA VAL B 458 13.407 -34.171 -38.914 1.00 12.00 C +ATOM 6089 C VAL B 458 12.005 -33.941 -39.431 1.00 17.54 C +ATOM 6090 O VAL B 458 11.569 -34.586 -40.383 1.00 31.16 O +ATOM 6091 CB VAL B 458 14.276 -33.218 -39.730 1.00 12.33 C +ATOM 6092 CG1 VAL B 458 13.896 -31.786 -39.436 1.00 11.71 C +ATOM 6093 CG2 VAL B 458 15.722 -33.448 -39.447 1.00 19.02 C +ATOM 6094 H VAL B 458 14.065 -35.893 -39.960 1.00 15.00 H +ATOM 6095 N VAL B 459 11.331 -32.970 -38.836 1.00 10.14 N +ATOM 6096 CA VAL B 459 9.994 -32.594 -39.224 1.00 6.29 C +ATOM 6097 C VAL B 459 10.003 -31.081 -39.213 1.00 14.05 C +ATOM 6098 O VAL B 459 10.260 -30.470 -38.173 1.00 15.72 O +ATOM 6099 CB VAL B 459 8.997 -33.088 -38.199 1.00 8.17 C +ATOM 6100 CG1 VAL B 459 7.620 -32.547 -38.489 1.00 4.05 C +ATOM 6101 CG2 VAL B 459 8.995 -34.585 -38.200 1.00 9.45 C +ATOM 6102 H VAL B 459 11.723 -32.506 -38.065 1.00 15.00 H +ATOM 6103 N HIS B 460 9.716 -30.479 -40.363 1.00 22.69 N +ATOM 6104 CA HIS B 460 9.719 -29.021 -40.516 1.00 21.87 C +ATOM 6105 C HIS B 460 8.772 -28.663 -41.647 1.00 22.59 C +ATOM 6106 O HIS B 460 8.684 -29.396 -42.639 1.00 21.75 O +ATOM 6107 CB HIS B 460 11.134 -28.568 -40.857 1.00 13.71 C +ATOM 6108 CG HIS B 460 11.280 -27.100 -41.062 1.00 3.49 C +ATOM 6109 ND1 HIS B 460 11.298 -26.203 -40.020 1.00 14.86 N +ATOM 6110 CD2 HIS B 460 11.519 -26.380 -42.181 1.00 15.13 C +ATOM 6111 CE1 HIS B 460 11.555 -24.992 -40.486 1.00 9.86 C +ATOM 6112 NE2 HIS B 460 11.693 -25.072 -41.794 1.00 16.22 N +ATOM 6113 H HIS B 460 9.461 -31.033 -41.136 1.00 15.00 H +ATOM 6114 HD1 HIS B 460 11.175 -26.331 -39.046 1.00 15.00 H +ATOM 6115 HE2 HIS B 460 11.916 -24.307 -42.382 1.00 15.00 H +ATOM 6116 N GLU B 461 8.107 -27.517 -41.526 1.00 22.82 N +ATOM 6117 CA GLU B 461 7.132 -27.106 -42.534 1.00 24.07 C +ATOM 6118 C GLU B 461 7.617 -26.988 -43.972 1.00 18.12 C +ATOM 6119 O GLU B 461 6.884 -27.312 -44.897 1.00 15.84 O +ATOM 6120 CB GLU B 461 6.388 -25.843 -42.105 1.00 24.51 C +ATOM 6121 CG GLU B 461 7.241 -24.615 -41.911 1.00 30.70 C +ATOM 6122 CD GLU B 461 6.456 -23.473 -41.282 1.00 27.64 C +ATOM 6123 OE1 GLU B 461 5.656 -22.831 -41.999 1.00 22.15 O +ATOM 6124 OE2 GLU B 461 6.625 -23.232 -40.065 1.00 33.77 O +ATOM 6125 H GLU B 461 8.228 -26.970 -40.724 1.00 15.00 H +ATOM 6126 N GLY B 462 8.861 -26.584 -44.162 1.00 16.64 N +ATOM 6127 CA GLY B 462 9.376 -26.456 -45.513 1.00 16.48 C +ATOM 6128 C GLY B 462 9.758 -27.747 -46.219 1.00 16.35 C +ATOM 6129 O GLY B 462 10.226 -27.728 -47.357 1.00 26.88 O +ATOM 6130 H GLY B 462 9.420 -26.359 -43.410 1.00 15.00 H +ATOM 6131 N LEU B 463 9.574 -28.881 -45.572 1.00 6.78 N +ATOM 6132 CA LEU B 463 9.949 -30.120 -46.224 1.00 13.39 C +ATOM 6133 C LEU B 463 8.759 -30.718 -46.930 1.00 15.25 C +ATOM 6134 O LEU B 463 7.630 -30.574 -46.470 1.00 10.07 O +ATOM 6135 CB LEU B 463 10.458 -31.124 -45.195 1.00 21.79 C +ATOM 6136 CG LEU B 463 11.800 -30.897 -44.502 1.00 14.45 C +ATOM 6137 CD1 LEU B 463 11.819 -31.755 -43.259 1.00 34.09 C +ATOM 6138 CD2 LEU B 463 12.967 -31.247 -45.416 1.00 11.39 C +ATOM 6139 H LEU B 463 9.149 -28.911 -44.694 1.00 15.00 H +ATOM 6140 N HIS B 464 9.005 -31.417 -48.031 1.00 11.96 N +ATOM 6141 CA HIS B 464 7.914 -32.072 -48.744 1.00 14.06 C +ATOM 6142 C HIS B 464 7.314 -33.124 -47.811 1.00 13.38 C +ATOM 6143 O HIS B 464 7.994 -34.058 -47.384 1.00 25.24 O +ATOM 6144 CB HIS B 464 8.415 -32.725 -50.023 1.00 15.81 C +ATOM 6145 CG HIS B 464 8.860 -31.745 -51.056 1.00 24.01 C +ATOM 6146 ND1 HIS B 464 8.185 -30.568 -51.298 1.00 20.30 N +ATOM 6147 CD2 HIS B 464 9.920 -31.756 -51.900 1.00 25.61 C +ATOM 6148 CE1 HIS B 464 8.812 -29.895 -52.247 1.00 26.04 C +ATOM 6149 NE2 HIS B 464 9.867 -30.594 -52.629 1.00 18.36 N +ATOM 6150 H HIS B 464 9.931 -31.513 -48.321 1.00 15.00 H +ATOM 6151 HD1 HIS B 464 7.338 -30.264 -50.882 1.00 15.00 H +ATOM 6152 HE2 HIS B 464 10.464 -30.353 -53.380 1.00 15.00 H +ATOM 6153 N ASN B 465 6.045 -32.931 -47.478 1.00 14.23 N +ATOM 6154 CA ASN B 465 5.301 -33.792 -46.565 1.00 11.88 C +ATOM 6155 C ASN B 465 5.742 -33.544 -45.129 1.00 19.28 C +ATOM 6156 O ASN B 465 5.380 -34.278 -44.211 1.00 22.57 O +ATOM 6157 CB ASN B 465 5.405 -35.258 -46.944 1.00 9.55 C +ATOM 6158 CG ASN B 465 4.620 -35.582 -48.192 1.00 11.98 C +ATOM 6159 OD1 ASN B 465 5.051 -35.286 -49.296 1.00 19.47 O +ATOM 6160 ND2 ASN B 465 3.450 -36.169 -48.022 1.00 24.65 N +ATOM 6161 H ASN B 465 5.578 -32.165 -47.875 1.00 15.00 H +ATOM 6162 HD21 ASN B 465 2.964 -36.392 -48.848 1.00 15.00 H +ATOM 6163 HD22 ASN B 465 3.127 -36.365 -47.124 1.00 15.00 H +ATOM 6164 N HIS B 466 6.500 -32.464 -44.949 1.00 22.49 N +ATOM 6165 CA HIS B 466 6.985 -32.039 -43.643 1.00 24.91 C +ATOM 6166 C HIS B 466 7.750 -33.112 -42.892 1.00 20.72 C +ATOM 6167 O HIS B 466 7.804 -33.083 -41.671 1.00 23.04 O +ATOM 6168 CB HIS B 466 5.787 -31.582 -42.815 1.00 32.14 C +ATOM 6169 CG HIS B 466 4.975 -30.508 -43.478 1.00 41.53 C +ATOM 6170 ND1 HIS B 466 3.682 -30.210 -43.104 1.00 40.71 N +ATOM 6171 CD2 HIS B 466 5.293 -29.632 -44.459 1.00 38.56 C +ATOM 6172 CE1 HIS B 466 3.243 -29.190 -43.819 1.00 39.60 C +ATOM 6173 NE2 HIS B 466 4.202 -28.819 -44.648 1.00 39.77 N +ATOM 6174 H HIS B 466 6.719 -31.938 -45.731 1.00 15.00 H +ATOM 6175 HD1 HIS B 466 3.159 -30.704 -42.429 1.00 15.00 H +ATOM 6176 HE2 HIS B 466 4.186 -28.072 -45.289 1.00 15.00 H +ATOM 6177 N HIS B 467 8.419 -34.003 -43.610 1.00 19.41 N +ATOM 6178 CA HIS B 467 9.119 -35.081 -42.946 1.00 25.51 C +ATOM 6179 C HIS B 467 10.209 -35.767 -43.746 1.00 26.65 C +ATOM 6180 O HIS B 467 9.908 -36.537 -44.655 1.00 33.84 O +ATOM 6181 CB HIS B 467 8.096 -36.136 -42.520 1.00 26.57 C +ATOM 6182 CG HIS B 467 8.712 -37.401 -42.011 1.00 32.44 C +ATOM 6183 ND1 HIS B 467 9.671 -37.417 -41.021 1.00 27.20 N +ATOM 6184 CD2 HIS B 467 8.502 -38.695 -42.352 1.00 33.68 C +ATOM 6185 CE1 HIS B 467 10.023 -38.665 -40.770 1.00 33.14 C +ATOM 6186 NE2 HIS B 467 9.329 -39.460 -41.565 1.00 33.93 N +ATOM 6187 H HIS B 467 8.447 -33.955 -44.589 1.00 15.00 H +ATOM 6188 HD1 HIS B 467 10.070 -36.643 -40.559 1.00 15.00 H +ATOM 6189 HE2 HIS B 467 9.454 -40.433 -41.620 1.00 15.00 H +ATOM 6190 N THR B 468 11.465 -35.545 -43.376 1.00 23.08 N +ATOM 6191 CA THR B 468 12.563 -36.212 -44.069 1.00 27.91 C +ATOM 6192 C THR B 468 13.244 -37.188 -43.102 1.00 29.83 C +ATOM 6193 O THR B 468 13.053 -37.096 -41.887 1.00 33.26 O +ATOM 6194 CB THR B 468 13.571 -35.232 -44.655 1.00 19.66 C +ATOM 6195 OG1 THR B 468 14.538 -35.959 -45.415 1.00 27.48 O +ATOM 6196 CG2 THR B 468 14.265 -34.476 -43.569 1.00 28.47 C +ATOM 6197 H THR B 468 11.678 -34.971 -42.611 1.00 15.00 H +ATOM 6198 HG1 THR B 468 14.002 -36.345 -46.125 1.00 15.00 H +ATOM 6199 N THR B 469 14.015 -38.126 -43.640 1.00 29.17 N +ATOM 6200 CA THR B 469 14.683 -39.143 -42.829 1.00 30.42 C +ATOM 6201 C THR B 469 16.008 -39.549 -43.466 1.00 31.40 C +ATOM 6202 O THR B 469 16.023 -40.238 -44.483 1.00 32.74 O +ATOM 6203 CB THR B 469 13.759 -40.379 -42.678 1.00 34.44 C +ATOM 6204 OG1 THR B 469 12.620 -40.016 -41.885 1.00 38.14 O +ATOM 6205 CG2 THR B 469 14.475 -41.552 -42.022 1.00 32.06 C +ATOM 6206 H THR B 469 14.156 -38.144 -44.609 1.00 15.00 H +ATOM 6207 HG1 THR B 469 12.981 -39.524 -41.133 1.00 15.00 H +ATOM 6208 N LYS B 470 17.108 -39.108 -42.855 1.00 34.56 N +ATOM 6209 CA LYS B 470 18.465 -39.375 -43.335 1.00 37.00 C +ATOM 6210 C LYS B 470 19.120 -40.497 -42.536 1.00 37.49 C +ATOM 6211 O LYS B 470 18.883 -40.619 -41.333 1.00 42.98 O +ATOM 6212 CB LYS B 470 19.310 -38.111 -43.201 1.00 36.23 C +ATOM 6213 CG LYS B 470 20.460 -38.027 -44.181 1.00 57.69 C +ATOM 6214 CD LYS B 470 19.946 -37.760 -45.592 1.00 73.60 C +ATOM 6215 CE LYS B 470 21.074 -37.763 -46.614 1.00 81.85 C +ATOM 6216 NZ LYS B 470 21.682 -39.117 -46.777 1.00 88.79 N +ATOM 6217 H LYS B 470 17.012 -38.605 -42.017 1.00 15.00 H +ATOM 6218 HZ1 LYS B 470 22.048 -39.451 -45.862 1.00 15.00 H +ATOM 6219 HZ2 LYS B 470 20.964 -39.780 -47.130 1.00 15.00 H +ATOM 6220 HZ3 LYS B 470 22.465 -39.065 -47.460 1.00 15.00 H +ATOM 6221 N SER B 471 19.952 -41.301 -43.189 1.00 39.12 N +ATOM 6222 CA SER B 471 20.628 -42.399 -42.506 1.00 49.42 C +ATOM 6223 C SER B 471 21.995 -42.672 -43.111 1.00 55.16 C +ATOM 6224 O SER B 471 22.427 -41.977 -44.031 1.00 56.48 O +ATOM 6225 CB SER B 471 19.779 -43.670 -42.545 1.00 48.81 C +ATOM 6226 OG SER B 471 19.721 -44.194 -43.857 1.00 51.53 O +ATOM 6227 H SER B 471 20.141 -41.195 -44.143 1.00 15.00 H +ATOM 6228 HG SER B 471 19.177 -44.987 -43.833 1.00 15.00 H +ATOM 6229 N PHE B 472 22.668 -43.694 -42.592 1.00 67.21 N +ATOM 6230 CA PHE B 472 23.998 -44.068 -43.055 1.00 75.40 C +ATOM 6231 C PHE B 472 23.968 -45.174 -44.108 1.00 87.65 C +ATOM 6232 O PHE B 472 23.504 -46.280 -43.834 1.00 84.10 O +ATOM 6233 CB PHE B 472 24.845 -44.522 -41.863 1.00 69.29 C +ATOM 6234 CG PHE B 472 25.037 -43.461 -40.807 1.00 63.75 C +ATOM 6235 CD1 PHE B 472 26.064 -42.525 -40.916 1.00 56.57 C +ATOM 6236 CD2 PHE B 472 24.194 -43.398 -39.703 1.00 60.06 C +ATOM 6237 CE1 PHE B 472 26.250 -41.546 -39.943 1.00 47.49 C +ATOM 6238 CE2 PHE B 472 24.375 -42.419 -38.723 1.00 52.92 C +ATOM 6239 CZ PHE B 472 25.405 -41.493 -38.847 1.00 48.38 C +ATOM 6240 H PHE B 472 22.259 -44.233 -41.885 1.00 15.00 H +ATOM 6241 N SER B 473 24.427 -44.864 -45.319 1.00107.43 N +ATOM 6242 CA SER B 473 24.485 -45.855 -46.395 1.00128.21 C +ATOM 6243 C SER B 473 25.605 -46.814 -45.994 1.00140.18 C +ATOM 6244 O SER B 473 26.759 -46.639 -46.399 1.00144.22 O +ATOM 6245 CB SER B 473 24.829 -45.186 -47.736 1.00130.57 C +ATOM 6246 OG SER B 473 23.861 -44.218 -48.115 1.00136.83 O +ATOM 6247 H SER B 473 24.705 -43.949 -45.520 1.00 15.00 H +ATOM 6248 HG SER B 473 24.080 -43.853 -48.977 1.00 15.00 H +ATOM 6249 N ARG B 474 25.263 -47.795 -45.166 1.00151.09 N +ATOM 6250 CA ARG B 474 26.232 -48.760 -44.661 1.00160.66 C +ATOM 6251 C ARG B 474 25.777 -50.181 -44.982 1.00162.53 C +ATOM 6252 O ARG B 474 26.645 -51.017 -45.310 1.00163.80 O +ATOM 6253 CB ARG B 474 26.373 -48.572 -43.143 1.00165.41 C +ATOM 6254 CG ARG B 474 27.720 -48.957 -42.546 1.00170.73 C +ATOM 6255 CD ARG B 474 27.819 -48.479 -41.097 1.00170.85 C +ATOM 6256 NE ARG B 474 29.146 -48.703 -40.531 1.00170.35 N +ATOM 6257 CZ ARG B 474 29.490 -49.779 -39.832 1.00170.09 C +ATOM 6258 NH1 ARG B 474 28.606 -50.740 -39.603 1.00169.56 N +ATOM 6259 NH2 ARG B 474 30.728 -49.903 -39.376 1.00172.37 N +ATOM 6260 OXT ARG B 474 24.555 -50.437 -44.916 1.00166.46 O +ATOM 6261 H ARG B 474 24.334 -47.929 -44.881 1.00 15.00 H +ATOM 6262 HE ARG B 474 29.829 -48.018 -40.678 1.00 15.00 H +ATOM 6263 HH11 ARG B 474 27.674 -50.667 -39.955 1.00 15.00 H +ATOM 6264 HH12 ARG B 474 28.875 -51.546 -39.078 1.00 15.00 H +ATOM 6265 HH21 ARG B 474 31.399 -49.185 -39.558 1.00 15.00 H +ATOM 6266 HH22 ARG B 474 30.990 -50.712 -38.850 1.00 15.00 H +TER 6267 ARG B 474 +ATOM 6268 N ASP C 1 -33.532 53.785 7.755 1.00 86.90 N +ATOM 6269 CA ASP C 1 -33.648 52.405 7.203 1.00 84.62 C +ATOM 6270 C ASP C 1 -34.965 51.840 7.740 1.00 80.02 C +ATOM 6271 O ASP C 1 -35.409 52.249 8.814 1.00 80.82 O +ATOM 6272 CB ASP C 1 -32.462 51.551 7.673 1.00 87.95 C +ATOM 6273 CG ASP C 1 -31.118 52.228 7.434 1.00 92.94 C +ATOM 6274 OD1 ASP C 1 -30.744 53.098 8.252 1.00 97.56 O +ATOM 6275 OD2 ASP C 1 -30.437 51.894 6.437 1.00 91.03 O +ATOM 6276 H1 ASP C 1 -33.621 53.668 8.788 1.00 15.00 H +ATOM 6277 H2 ASP C 1 -32.646 54.244 7.484 1.00 15.00 H +ATOM 6278 H3 ASP C 1 -34.357 54.331 7.442 1.00 15.00 H +ATOM 6279 N ILE C 2 -35.613 50.958 6.982 1.00 69.74 N +ATOM 6280 CA ILE C 2 -36.877 50.376 7.423 1.00 57.60 C +ATOM 6281 C ILE C 2 -36.599 49.105 8.198 1.00 52.04 C +ATOM 6282 O ILE C 2 -35.886 48.233 7.723 1.00 43.28 O +ATOM 6283 CB ILE C 2 -37.793 50.055 6.247 1.00 56.01 C +ATOM 6284 CG1 ILE C 2 -38.004 51.308 5.396 1.00 58.63 C +ATOM 6285 CG2 ILE C 2 -39.129 49.571 6.766 1.00 54.53 C +ATOM 6286 CD1 ILE C 2 -38.844 51.081 4.156 1.00 60.36 C +ATOM 6287 H ILE C 2 -35.243 50.626 6.136 1.00 15.00 H +ATOM 6288 N VAL C 3 -37.158 49.001 9.394 1.00 50.66 N +ATOM 6289 CA VAL C 3 -36.918 47.828 10.225 1.00 60.94 C +ATOM 6290 C VAL C 3 -38.082 46.836 10.249 1.00 57.67 C +ATOM 6291 O VAL C 3 -39.245 47.228 10.358 1.00 61.53 O +ATOM 6292 CB VAL C 3 -36.505 48.238 11.671 1.00 69.60 C +ATOM 6293 CG1 VAL C 3 -35.001 48.501 11.743 1.00 72.72 C +ATOM 6294 CG2 VAL C 3 -37.253 49.489 12.105 1.00 69.13 C +ATOM 6295 H VAL C 3 -37.778 49.686 9.697 1.00 15.00 H +ATOM 6296 N LEU C 4 -37.763 45.551 10.122 1.00 50.97 N +ATOM 6297 CA LEU C 4 -38.783 44.508 10.117 1.00 51.76 C +ATOM 6298 C LEU C 4 -38.714 43.605 11.344 1.00 56.23 C +ATOM 6299 O LEU C 4 -37.661 43.043 11.661 1.00 62.17 O +ATOM 6300 CB LEU C 4 -38.684 43.670 8.839 1.00 44.52 C +ATOM 6301 CG LEU C 4 -39.204 44.287 7.536 1.00 31.63 C +ATOM 6302 CD1 LEU C 4 -40.702 44.307 7.522 1.00 26.13 C +ATOM 6303 CD2 LEU C 4 -38.665 45.682 7.353 1.00 29.46 C +ATOM 6304 H LEU C 4 -36.830 45.265 10.051 1.00 15.00 H +ATOM 6305 N THR C 5 -39.846 43.468 12.027 1.00 57.48 N +ATOM 6306 CA THR C 5 -39.937 42.641 13.221 1.00 61.21 C +ATOM 6307 C THR C 5 -40.772 41.390 12.971 1.00 58.02 C +ATOM 6308 O THR C 5 -41.924 41.477 12.536 1.00 61.32 O +ATOM 6309 CB THR C 5 -40.574 43.427 14.385 1.00 64.98 C +ATOM 6310 OG1 THR C 5 -39.793 44.596 14.664 1.00 67.67 O +ATOM 6311 CG2 THR C 5 -40.658 42.561 15.638 1.00 72.41 C +ATOM 6312 H THR C 5 -40.637 43.934 11.706 1.00 15.00 H +ATOM 6313 HG1 THR C 5 -39.738 45.157 13.885 1.00 15.00 H +ATOM 6314 N GLN C 6 -40.183 40.230 13.233 1.00 53.89 N +ATOM 6315 CA GLN C 6 -40.882 38.966 13.062 1.00 52.54 C +ATOM 6316 C GLN C 6 -41.250 38.411 14.431 1.00 58.58 C +ATOM 6317 O GLN C 6 -40.505 38.575 15.398 1.00 64.69 O +ATOM 6318 CB GLN C 6 -40.024 37.946 12.303 1.00 45.56 C +ATOM 6319 CG GLN C 6 -40.026 38.125 10.793 1.00 37.80 C +ATOM 6320 CD GLN C 6 -39.678 36.851 10.049 1.00 29.63 C +ATOM 6321 OE1 GLN C 6 -38.694 36.798 9.318 1.00 33.40 O +ATOM 6322 NE2 GLN C 6 -40.493 35.827 10.218 1.00 23.20 N +ATOM 6323 H GLN C 6 -39.278 40.213 13.600 1.00 15.00 H +ATOM 6324 HE21 GLN C 6 -40.258 34.987 9.767 1.00 15.00 H +ATOM 6325 HE22 GLN C 6 -41.280 35.915 10.791 1.00 15.00 H +ATOM 6326 N SER C 7 -42.402 37.756 14.499 1.00 59.99 N +ATOM 6327 CA SER C 7 -42.903 37.163 15.732 1.00 56.53 C +ATOM 6328 C SER C 7 -43.805 35.986 15.361 1.00 56.76 C +ATOM 6329 O SER C 7 -44.664 36.121 14.483 1.00 53.07 O +ATOM 6330 CB SER C 7 -43.690 38.211 16.540 1.00 63.94 C +ATOM 6331 OG SER C 7 -44.664 38.893 15.753 1.00 58.78 O +ATOM 6332 H SER C 7 -42.949 37.639 13.696 1.00 15.00 H +ATOM 6333 HG SER C 7 -45.307 38.228 15.477 1.00 15.00 H +ATOM 6334 N PRO C 8 -43.583 34.800 15.962 1.00 57.48 N +ATOM 6335 CA PRO C 8 -42.567 34.433 16.959 1.00 54.71 C +ATOM 6336 C PRO C 8 -41.190 34.182 16.345 1.00 48.44 C +ATOM 6337 O PRO C 8 -41.057 34.047 15.131 1.00 45.09 O +ATOM 6338 CB PRO C 8 -43.128 33.139 17.541 1.00 62.74 C +ATOM 6339 CG PRO C 8 -43.762 32.500 16.341 1.00 60.88 C +ATOM 6340 CD PRO C 8 -44.509 33.672 15.734 1.00 57.43 C +ATOM 6341 N SER C 9 -40.179 34.103 17.200 1.00 39.09 N +ATOM 6342 CA SER C 9 -38.817 33.864 16.763 1.00 36.48 C +ATOM 6343 C SER C 9 -38.623 32.377 16.565 1.00 32.60 C +ATOM 6344 O SER C 9 -37.662 31.930 15.953 1.00 35.64 O +ATOM 6345 CB SER C 9 -37.845 34.385 17.822 1.00 48.33 C +ATOM 6346 OG SER C 9 -38.284 34.036 19.129 1.00 59.52 O +ATOM 6347 H SER C 9 -40.299 34.202 18.168 1.00 15.00 H +ATOM 6348 HG SER C 9 -38.136 33.092 19.283 1.00 15.00 H +ATOM 6349 N SER C 10 -39.565 31.607 17.070 1.00 39.25 N +ATOM 6350 CA SER C 10 -39.478 30.169 16.969 1.00 49.44 C +ATOM 6351 C SER C 10 -40.868 29.581 17.055 1.00 48.31 C +ATOM 6352 O SER C 10 -41.749 30.129 17.726 1.00 47.72 O +ATOM 6353 CB SER C 10 -38.599 29.636 18.104 1.00 59.53 C +ATOM 6354 OG SER C 10 -38.790 30.383 19.302 1.00 75.09 O +ATOM 6355 H SER C 10 -40.349 31.948 17.543 1.00 15.00 H +ATOM 6356 HG SER C 10 -38.301 29.955 20.013 1.00 15.00 H +ATOM 6357 N LEU C 11 -41.072 28.479 16.354 1.00 41.17 N +ATOM 6358 CA LEU C 11 -42.364 27.847 16.369 1.00 44.66 C +ATOM 6359 C LEU C 11 -42.238 26.345 16.156 1.00 53.13 C +ATOM 6360 O LEU C 11 -41.422 25.870 15.354 1.00 49.93 O +ATOM 6361 CB LEU C 11 -43.265 28.493 15.314 1.00 43.47 C +ATOM 6362 CG LEU C 11 -44.736 28.695 15.684 1.00 52.32 C +ATOM 6363 CD1 LEU C 11 -45.580 27.527 15.199 1.00 45.16 C +ATOM 6364 CD2 LEU C 11 -44.879 28.911 17.197 1.00 48.90 C +ATOM 6365 H LEU C 11 -40.377 28.084 15.783 1.00 15.00 H +ATOM 6366 N SER C 12 -42.993 25.608 16.963 1.00 56.27 N +ATOM 6367 CA SER C 12 -43.041 24.153 16.920 1.00 51.13 C +ATOM 6368 C SER C 12 -44.545 23.912 16.801 1.00 49.71 C +ATOM 6369 O SER C 12 -45.340 24.500 17.549 1.00 49.64 O +ATOM 6370 CB SER C 12 -42.492 23.565 18.237 1.00 51.02 C +ATOM 6371 OG SER C 12 -42.012 22.234 18.093 1.00 27.13 O +ATOM 6372 H SER C 12 -43.591 26.042 17.607 1.00 15.00 H +ATOM 6373 HG SER C 12 -41.699 21.879 18.931 1.00 15.00 H +ATOM 6374 N ALA C 13 -44.949 23.134 15.811 1.00 41.57 N +ATOM 6375 CA ALA C 13 -46.359 22.876 15.629 1.00 42.61 C +ATOM 6376 C ALA C 13 -46.571 21.520 14.997 1.00 52.56 C +ATOM 6377 O ALA C 13 -45.756 21.046 14.196 1.00 52.62 O +ATOM 6378 CB ALA C 13 -47.004 23.966 14.794 1.00 51.21 C +ATOM 6379 H ALA C 13 -44.305 22.723 15.191 1.00 15.00 H +ATOM 6380 N SER C 14 -47.684 20.905 15.379 1.00 58.10 N +ATOM 6381 CA SER C 14 -48.078 19.579 14.926 1.00 51.57 C +ATOM 6382 C SER C 14 -48.416 19.501 13.437 1.00 47.27 C +ATOM 6383 O SER C 14 -49.268 20.239 12.935 1.00 44.50 O +ATOM 6384 CB SER C 14 -49.267 19.112 15.769 1.00 49.60 C +ATOM 6385 OG SER C 14 -49.459 19.979 16.883 1.00 42.21 O +ATOM 6386 H SER C 14 -48.297 21.351 16.000 1.00 15.00 H +ATOM 6387 HG SER C 14 -50.163 19.596 17.416 1.00 15.00 H +ATOM 6388 N LEU C 15 -47.731 18.603 12.743 1.00 39.64 N +ATOM 6389 CA LEU C 15 -47.938 18.380 11.321 1.00 38.72 C +ATOM 6390 C LEU C 15 -49.424 18.471 10.972 1.00 40.61 C +ATOM 6391 O LEU C 15 -50.261 17.890 11.656 1.00 37.53 O +ATOM 6392 CB LEU C 15 -47.376 17.002 10.952 1.00 36.01 C +ATOM 6393 CG LEU C 15 -47.476 16.444 9.535 1.00 40.66 C +ATOM 6394 CD1 LEU C 15 -46.379 15.411 9.322 1.00 47.34 C +ATOM 6395 CD2 LEU C 15 -48.846 15.828 9.306 1.00 42.27 C +ATOM 6396 H LEU C 15 -47.067 18.064 13.216 1.00 15.00 H +ATOM 6397 N GLY C 16 -49.743 19.237 9.933 1.00 48.63 N +ATOM 6398 CA GLY C 16 -51.123 19.393 9.506 1.00 50.50 C +ATOM 6399 C GLY C 16 -51.755 20.698 9.950 1.00 54.93 C +ATOM 6400 O GLY C 16 -52.703 21.184 9.329 1.00 57.84 O +ATOM 6401 H GLY C 16 -49.039 19.688 9.429 1.00 15.00 H +ATOM 6402 N ASP C 17 -51.237 21.266 11.032 1.00 53.47 N +ATOM 6403 CA ASP C 17 -51.757 22.521 11.552 1.00 55.73 C +ATOM 6404 C ASP C 17 -51.620 23.655 10.529 1.00 54.83 C +ATOM 6405 O ASP C 17 -51.097 23.461 9.426 1.00 47.22 O +ATOM 6406 CB ASP C 17 -51.029 22.901 12.852 1.00 65.47 C +ATOM 6407 CG ASP C 17 -51.213 21.874 13.969 1.00 69.56 C +ATOM 6408 OD1 ASP C 17 -51.882 20.838 13.754 1.00 72.85 O +ATOM 6409 OD2 ASP C 17 -50.663 22.102 15.069 1.00 68.86 O +ATOM 6410 H ASP C 17 -50.508 20.818 11.507 1.00 15.00 H +ATOM 6411 N THR C 18 -52.046 24.845 10.943 1.00 54.10 N +ATOM 6412 CA THR C 18 -52.002 26.043 10.122 1.00 58.44 C +ATOM 6413 C THR C 18 -51.194 27.131 10.830 1.00 63.51 C +ATOM 6414 O THR C 18 -51.520 27.530 11.952 1.00 68.69 O +ATOM 6415 CB THR C 18 -53.420 26.557 9.871 1.00 57.25 C +ATOM 6416 OG1 THR C 18 -54.191 25.516 9.259 1.00 65.85 O +ATOM 6417 CG2 THR C 18 -53.404 27.776 8.973 1.00 59.98 C +ATOM 6418 H THR C 18 -52.422 24.947 11.837 1.00 15.00 H +ATOM 6419 HG1 THR C 18 -53.640 25.033 8.618 1.00 15.00 H +ATOM 6420 N ILE C 19 -50.154 27.623 10.162 1.00 65.38 N +ATOM 6421 CA ILE C 19 -49.291 28.652 10.734 1.00 62.96 C +ATOM 6422 C ILE C 19 -49.562 30.069 10.250 1.00 61.32 C +ATOM 6423 O ILE C 19 -49.751 30.316 9.062 1.00 57.58 O +ATOM 6424 CB ILE C 19 -47.806 28.345 10.466 1.00 65.54 C +ATOM 6425 CG1 ILE C 19 -47.444 26.976 11.041 1.00 67.77 C +ATOM 6426 CG2 ILE C 19 -46.922 29.441 11.053 1.00 63.57 C +ATOM 6427 CD1 ILE C 19 -47.881 26.781 12.485 1.00 79.53 C +ATOM 6428 H ILE C 19 -49.998 27.279 9.254 1.00 15.00 H +ATOM 6429 N THR C 20 -49.558 31.001 11.187 1.00 61.54 N +ATOM 6430 CA THR C 20 -49.758 32.394 10.860 1.00 64.15 C +ATOM 6431 C THR C 20 -48.571 33.128 11.441 1.00 61.86 C +ATOM 6432 O THR C 20 -48.568 33.526 12.610 1.00 64.60 O +ATOM 6433 CB THR C 20 -51.084 32.944 11.424 1.00 69.71 C +ATOM 6434 OG1 THR C 20 -52.169 32.452 10.629 1.00 80.97 O +ATOM 6435 CG2 THR C 20 -51.104 34.467 11.402 1.00 74.91 C +ATOM 6436 H THR C 20 -49.436 30.767 12.129 1.00 15.00 H +ATOM 6437 HG1 THR C 20 -52.052 32.688 9.699 1.00 15.00 H +ATOM 6438 N ILE C 21 -47.510 33.167 10.648 1.00 53.76 N +ATOM 6439 CA ILE C 21 -46.293 33.859 11.034 1.00 43.70 C +ATOM 6440 C ILE C 21 -46.445 35.296 10.541 1.00 42.21 C +ATOM 6441 O ILE C 21 -47.004 35.531 9.463 1.00 38.06 O +ATOM 6442 CB ILE C 21 -45.029 33.170 10.457 1.00 29.97 C +ATOM 6443 CG1 ILE C 21 -43.876 34.160 10.365 1.00 21.01 C +ATOM 6444 CG2 ILE C 21 -45.323 32.505 9.127 1.00 21.73 C +ATOM 6445 CD1 ILE C 21 -42.676 33.587 9.669 1.00 37.15 C +ATOM 6446 H ILE C 21 -47.605 32.767 9.758 1.00 15.00 H +ATOM 6447 N THR C 22 -45.991 36.251 11.350 1.00 40.75 N +ATOM 6448 CA THR C 22 -46.114 37.662 11.011 1.00 41.01 C +ATOM 6449 C THR C 22 -44.792 38.342 10.672 1.00 43.93 C +ATOM 6450 O THR C 22 -43.716 37.756 10.805 1.00 52.35 O +ATOM 6451 CB THR C 22 -46.771 38.444 12.162 1.00 40.57 C +ATOM 6452 OG1 THR C 22 -47.722 37.607 12.827 1.00 56.28 O +ATOM 6453 CG2 THR C 22 -47.523 39.644 11.622 1.00 55.04 C +ATOM 6454 H THR C 22 -45.538 36.001 12.181 1.00 15.00 H +ATOM 6455 HG1 THR C 22 -47.311 36.782 13.105 1.00 15.00 H +ATOM 6456 N CYS C 23 -44.900 39.586 10.226 1.00 41.87 N +ATOM 6457 CA CYS C 23 -43.766 40.417 9.866 1.00 33.25 C +ATOM 6458 C CYS C 23 -44.301 41.830 9.938 1.00 33.50 C +ATOM 6459 O CYS C 23 -45.404 42.109 9.452 1.00 35.12 O +ATOM 6460 CB CYS C 23 -43.337 40.124 8.446 1.00 31.92 C +ATOM 6461 SG CYS C 23 -41.776 40.920 7.998 1.00 25.79 S +ATOM 6462 H CYS C 23 -45.781 39.967 10.033 1.00 15.00 H +ATOM 6463 N HIS C 24 -43.549 42.718 10.569 1.00 34.18 N +ATOM 6464 CA HIS C 24 -43.995 44.091 10.717 1.00 46.51 C +ATOM 6465 C HIS C 24 -42.892 45.044 10.325 1.00 48.15 C +ATOM 6466 O HIS C 24 -41.716 44.703 10.424 1.00 54.15 O +ATOM 6467 CB HIS C 24 -44.416 44.351 12.163 1.00 61.93 C +ATOM 6468 CG HIS C 24 -45.455 43.399 12.673 1.00 82.66 C +ATOM 6469 ND1 HIS C 24 -45.137 42.260 13.382 1.00 90.19 N +ATOM 6470 CD2 HIS C 24 -46.807 43.420 12.583 1.00 87.87 C +ATOM 6471 CE1 HIS C 24 -46.247 41.623 13.713 1.00 89.98 C +ATOM 6472 NE2 HIS C 24 -47.275 42.306 13.238 1.00 88.72 N +ATOM 6473 H HIS C 24 -42.656 42.461 10.897 1.00 15.00 H +ATOM 6474 HD1 HIS C 24 -44.232 41.946 13.616 1.00 15.00 H +ATOM 6475 HE2 HIS C 24 -48.222 42.060 13.334 1.00 15.00 H +ATOM 6476 N ALA C 25 -43.273 46.241 9.894 1.00 43.19 N +ATOM 6477 CA ALA C 25 -42.305 47.247 9.486 1.00 37.81 C +ATOM 6478 C ALA C 25 -42.480 48.501 10.320 1.00 42.08 C +ATOM 6479 O ALA C 25 -43.461 48.632 11.055 1.00 48.98 O +ATOM 6480 CB ALA C 25 -42.468 47.567 8.016 1.00 27.86 C +ATOM 6481 H ALA C 25 -44.214 46.506 9.884 1.00 15.00 H +ATOM 6482 N SER C 26 -41.525 49.416 10.202 1.00 44.74 N +ATOM 6483 CA SER C 26 -41.545 50.671 10.937 1.00 47.73 C +ATOM 6484 C SER C 26 -42.282 51.796 10.210 1.00 59.40 C +ATOM 6485 O SER C 26 -42.730 52.767 10.836 1.00 61.54 O +ATOM 6486 CB SER C 26 -40.115 51.103 11.232 1.00 40.64 C +ATOM 6487 OG SER C 26 -39.250 50.785 10.153 1.00 40.99 O +ATOM 6488 H SER C 26 -40.748 49.241 9.632 1.00 15.00 H +ATOM 6489 HG SER C 26 -38.450 51.293 10.349 1.00 15.00 H +ATOM 6490 N GLN C 27 -42.388 51.671 8.891 1.00 62.56 N +ATOM 6491 CA GLN C 27 -43.051 52.678 8.074 1.00 69.79 C +ATOM 6492 C GLN C 27 -43.935 51.970 7.058 1.00 68.25 C +ATOM 6493 O GLN C 27 -43.861 50.754 6.910 1.00 73.95 O +ATOM 6494 CB GLN C 27 -42.007 53.537 7.350 1.00 78.18 C +ATOM 6495 CG GLN C 27 -42.572 54.753 6.620 1.00 95.41 C +ATOM 6496 CD GLN C 27 -41.580 55.377 5.650 1.00104.38 C +ATOM 6497 OE1 GLN C 27 -41.744 55.280 4.433 1.00108.19 O +ATOM 6498 NE2 GLN C 27 -40.555 56.033 6.184 1.00105.94 N +ATOM 6499 H GLN C 27 -42.057 50.866 8.446 1.00 15.00 H +ATOM 6500 HE21 GLN C 27 -39.928 56.410 5.534 1.00 15.00 H +ATOM 6501 HE22 GLN C 27 -40.467 56.105 7.154 1.00 15.00 H +ATOM 6502 N ASN C 28 -44.786 52.736 6.386 1.00 65.70 N +ATOM 6503 CA ASN C 28 -45.696 52.219 5.369 1.00 62.94 C +ATOM 6504 C ASN C 28 -44.920 51.682 4.161 1.00 58.36 C +ATOM 6505 O ASN C 28 -44.124 52.410 3.568 1.00 64.09 O +ATOM 6506 CB ASN C 28 -46.657 53.348 4.961 1.00 64.00 C +ATOM 6507 CG ASN C 28 -47.188 53.201 3.553 1.00 68.71 C +ATOM 6508 OD1 ASN C 28 -47.590 52.113 3.129 1.00 74.17 O +ATOM 6509 ND2 ASN C 28 -47.195 54.306 2.814 1.00 67.19 N +ATOM 6510 H ASN C 28 -44.813 53.691 6.577 1.00 15.00 H +ATOM 6511 HD21 ASN C 28 -47.554 54.250 1.910 1.00 15.00 H +ATOM 6512 HD22 ASN C 28 -46.843 55.130 3.209 1.00 15.00 H +ATOM 6513 N ILE C 29 -45.133 50.411 3.815 1.00 48.27 N +ATOM 6514 CA ILE C 29 -44.443 49.810 2.670 1.00 34.05 C +ATOM 6515 C ILE C 29 -45.395 49.231 1.618 1.00 32.26 C +ATOM 6516 O ILE C 29 -45.051 48.333 0.832 1.00 24.78 O +ATOM 6517 CB ILE C 29 -43.403 48.750 3.094 1.00 21.23 C +ATOM 6518 CG1 ILE C 29 -44.076 47.543 3.732 1.00 21.24 C +ATOM 6519 CG2 ILE C 29 -42.413 49.348 4.050 1.00 21.39 C +ATOM 6520 CD1 ILE C 29 -43.121 46.391 3.986 1.00 30.37 C +ATOM 6521 H ILE C 29 -45.755 49.866 4.349 1.00 15.00 H +ATOM 6522 N ASN C 30 -46.600 49.776 1.591 1.00 28.08 N +ATOM 6523 CA ASN C 30 -47.591 49.352 0.622 1.00 35.09 C +ATOM 6524 C ASN C 30 -47.717 47.838 0.594 1.00 26.51 C +ATOM 6525 O ASN C 30 -48.151 47.245 1.566 1.00 30.58 O +ATOM 6526 CB ASN C 30 -47.236 49.888 -0.771 1.00 45.38 C +ATOM 6527 CG ASN C 30 -46.847 51.356 -0.752 1.00 54.93 C +ATOM 6528 OD1 ASN C 30 -46.050 51.801 -1.578 1.00 63.20 O +ATOM 6529 ND2 ASN C 30 -47.387 52.111 0.199 1.00 52.01 N +ATOM 6530 H ASN C 30 -46.819 50.456 2.264 1.00 15.00 H +ATOM 6531 HD21 ASN C 30 -47.098 53.042 0.160 1.00 15.00 H +ATOM 6532 HD22 ASN C 30 -48.012 51.764 0.874 1.00 15.00 H +ATOM 6533 N VAL C 31 -47.303 47.204 -0.491 1.00 18.81 N +ATOM 6534 CA VAL C 31 -47.432 45.765 -0.575 1.00 17.39 C +ATOM 6535 C VAL C 31 -46.121 45.173 -1.036 1.00 25.94 C +ATOM 6536 O VAL C 31 -46.079 44.080 -1.618 1.00 28.71 O +ATOM 6537 CB VAL C 31 -48.543 45.378 -1.559 1.00 17.76 C +ATOM 6538 CG1 VAL C 31 -49.826 46.090 -1.190 1.00 20.56 C +ATOM 6539 CG2 VAL C 31 -48.147 45.724 -2.979 1.00 16.86 C +ATOM 6540 H VAL C 31 -46.860 47.647 -1.241 1.00 15.00 H +ATOM 6541 N TRP C 32 -45.039 45.879 -0.740 1.00 23.54 N +ATOM 6542 CA TRP C 32 -43.725 45.428 -1.154 1.00 27.39 C +ATOM 6543 C TRP C 32 -43.102 44.527 -0.115 1.00 29.13 C +ATOM 6544 O TRP C 32 -42.332 44.984 0.728 1.00 33.29 O +ATOM 6545 CB TRP C 32 -42.857 46.644 -1.456 1.00 32.24 C +ATOM 6546 CG TRP C 32 -43.446 47.431 -2.589 1.00 35.27 C +ATOM 6547 CD1 TRP C 32 -44.076 48.650 -2.519 1.00 32.17 C +ATOM 6548 CD2 TRP C 32 -43.533 47.012 -3.960 1.00 26.43 C +ATOM 6549 NE1 TRP C 32 -44.551 49.004 -3.765 1.00 22.95 N +ATOM 6550 CE2 TRP C 32 -44.232 48.019 -4.663 1.00 12.02 C +ATOM 6551 CE3 TRP C 32 -43.089 45.879 -4.660 1.00 24.67 C +ATOM 6552 CZ2 TRP C 32 -44.498 47.926 -6.031 1.00 13.96 C +ATOM 6553 CZ3 TRP C 32 -43.355 45.787 -6.027 1.00 22.99 C +ATOM 6554 CH2 TRP C 32 -44.056 46.808 -6.696 1.00 21.42 C +ATOM 6555 H TRP C 32 -45.109 46.688 -0.190 1.00 15.00 H +ATOM 6556 HE1 TRP C 32 -45.025 49.844 -3.969 1.00 15.00 H +ATOM 6557 N LEU C 33 -43.434 43.239 -0.179 1.00 28.36 N +ATOM 6558 CA LEU C 33 -42.911 42.293 0.799 1.00 29.05 C +ATOM 6559 C LEU C 33 -42.775 40.854 0.312 1.00 28.38 C +ATOM 6560 O LEU C 33 -43.708 40.272 -0.235 1.00 25.82 O +ATOM 6561 CB LEU C 33 -43.756 42.349 2.066 1.00 21.51 C +ATOM 6562 CG LEU C 33 -43.093 41.677 3.265 1.00 27.03 C +ATOM 6563 CD1 LEU C 33 -43.261 42.555 4.487 1.00 16.13 C +ATOM 6564 CD2 LEU C 33 -43.649 40.268 3.492 1.00 27.47 C +ATOM 6565 H LEU C 33 -44.048 42.936 -0.878 1.00 15.00 H +ATOM 6566 N SER C 34 -41.601 40.285 0.545 1.00 30.03 N +ATOM 6567 CA SER C 34 -41.286 38.928 0.131 1.00 23.74 C +ATOM 6568 C SER C 34 -41.147 37.964 1.296 1.00 18.98 C +ATOM 6569 O SER C 34 -40.902 38.359 2.436 1.00 23.15 O +ATOM 6570 CB SER C 34 -39.994 38.929 -0.684 1.00 30.31 C +ATOM 6571 OG SER C 34 -38.935 39.571 0.017 1.00 38.34 O +ATOM 6572 H SER C 34 -40.920 40.771 1.023 1.00 15.00 H +ATOM 6573 HG SER C 34 -39.153 40.513 0.100 1.00 15.00 H +ATOM 6574 N TRP C 35 -41.269 36.687 0.989 1.00 10.15 N +ATOM 6575 CA TRP C 35 -41.155 35.642 1.985 1.00 16.54 C +ATOM 6576 C TRP C 35 -40.260 34.566 1.413 1.00 15.52 C +ATOM 6577 O TRP C 35 -40.643 33.903 0.452 1.00 12.91 O +ATOM 6578 CB TRP C 35 -42.535 35.040 2.289 1.00 10.60 C +ATOM 6579 CG TRP C 35 -43.346 35.852 3.230 1.00 19.11 C +ATOM 6580 CD1 TRP C 35 -44.390 36.678 2.920 1.00 25.71 C +ATOM 6581 CD2 TRP C 35 -43.178 35.933 4.650 1.00 28.28 C +ATOM 6582 NE1 TRP C 35 -44.883 37.273 4.060 1.00 18.93 N +ATOM 6583 CE2 TRP C 35 -44.158 36.834 5.137 1.00 26.92 C +ATOM 6584 CE3 TRP C 35 -42.296 35.334 5.560 1.00 18.91 C +ATOM 6585 CZ2 TRP C 35 -44.277 37.148 6.492 1.00 22.02 C +ATOM 6586 CZ3 TRP C 35 -42.418 35.648 6.902 1.00 17.74 C +ATOM 6587 CH2 TRP C 35 -43.403 36.548 7.356 1.00 16.57 C +ATOM 6588 H TRP C 35 -41.450 36.436 0.064 1.00 15.00 H +ATOM 6589 HE1 TRP C 35 -45.618 37.924 4.063 1.00 15.00 H +ATOM 6590 N TYR C 36 -39.046 34.435 1.935 1.00 15.03 N +ATOM 6591 CA TYR C 36 -38.155 33.388 1.440 1.00 25.78 C +ATOM 6592 C TYR C 36 -38.179 32.262 2.485 1.00 28.16 C +ATOM 6593 O TYR C 36 -38.506 32.510 3.652 1.00 29.80 O +ATOM 6594 CB TYR C 36 -36.727 33.917 1.235 1.00 30.30 C +ATOM 6595 CG TYR C 36 -36.632 35.245 0.495 1.00 23.23 C +ATOM 6596 CD1 TYR C 36 -36.829 36.440 1.171 1.00 7.75 C +ATOM 6597 CD2 TYR C 36 -36.341 35.304 -0.876 1.00 12.10 C +ATOM 6598 CE1 TYR C 36 -36.744 37.651 0.521 1.00 9.93 C +ATOM 6599 CE2 TYR C 36 -36.257 36.527 -1.537 1.00 10.00 C +ATOM 6600 CZ TYR C 36 -36.461 37.696 -0.822 1.00 8.10 C +ATOM 6601 OH TYR C 36 -36.375 38.930 -1.411 1.00 2.00 O +ATOM 6602 H TYR C 36 -38.788 34.990 2.700 1.00 15.00 H +ATOM 6603 HH TYR C 36 -36.844 39.553 -0.833 1.00 15.00 H +ATOM 6604 N GLN C 37 -37.859 31.035 2.080 1.00 20.31 N +ATOM 6605 CA GLN C 37 -37.869 29.910 3.013 1.00 14.00 C +ATOM 6606 C GLN C 37 -36.568 29.127 2.975 1.00 20.86 C +ATOM 6607 O GLN C 37 -36.322 28.354 2.042 1.00 21.06 O +ATOM 6608 CB GLN C 37 -39.026 28.973 2.692 1.00 23.48 C +ATOM 6609 CG GLN C 37 -38.988 27.680 3.451 1.00 24.33 C +ATOM 6610 CD GLN C 37 -39.277 26.493 2.572 1.00 34.20 C +ATOM 6611 OE1 GLN C 37 -40.232 25.751 2.805 1.00 39.19 O +ATOM 6612 NE2 GLN C 37 -38.439 26.290 1.560 1.00 18.94 N +ATOM 6613 H GLN C 37 -37.632 30.885 1.139 1.00 15.00 H +ATOM 6614 HE21 GLN C 37 -38.647 25.514 1.002 1.00 15.00 H +ATOM 6615 HE22 GLN C 37 -37.682 26.902 1.433 1.00 15.00 H +ATOM 6616 N GLN C 38 -35.764 29.275 4.023 1.00 23.51 N +ATOM 6617 CA GLN C 38 -34.475 28.601 4.102 1.00 17.84 C +ATOM 6618 C GLN C 38 -34.529 27.321 4.890 1.00 21.23 C +ATOM 6619 O GLN C 38 -34.779 27.323 6.096 1.00 17.70 O +ATOM 6620 CB GLN C 38 -33.424 29.512 4.725 1.00 3.62 C +ATOM 6621 CG GLN C 38 -32.016 28.952 4.618 1.00 14.94 C +ATOM 6622 CD GLN C 38 -30.961 30.040 4.763 1.00 30.33 C +ATOM 6623 OE1 GLN C 38 -31.257 31.138 5.233 1.00 23.50 O +ATOM 6624 NE2 GLN C 38 -29.734 29.751 4.341 1.00 29.72 N +ATOM 6625 H GLN C 38 -36.057 29.832 4.776 1.00 15.00 H +ATOM 6626 HE21 GLN C 38 -29.057 30.455 4.461 1.00 15.00 H +ATOM 6627 HE22 GLN C 38 -29.556 28.879 3.947 1.00 15.00 H +ATOM 6628 N LYS C 39 -34.335 26.215 4.193 1.00 22.83 N +ATOM 6629 CA LYS C 39 -34.320 24.929 4.850 1.00 23.26 C +ATOM 6630 C LYS C 39 -32.865 24.851 5.271 1.00 32.84 C +ATOM 6631 O LYS C 39 -31.995 25.380 4.581 1.00 34.79 O +ATOM 6632 CB LYS C 39 -34.689 23.821 3.862 1.00 29.98 C +ATOM 6633 CG LYS C 39 -36.131 23.919 3.347 1.00 32.52 C +ATOM 6634 CD LYS C 39 -36.454 22.863 2.286 1.00 34.98 C +ATOM 6635 CE LYS C 39 -37.869 23.063 1.748 1.00 53.62 C +ATOM 6636 NZ LYS C 39 -38.301 22.041 0.748 1.00 60.67 N +ATOM 6637 H LYS C 39 -34.171 26.276 3.232 1.00 15.00 H +ATOM 6638 HZ1 LYS C 39 -37.657 22.065 -0.070 1.00 15.00 H +ATOM 6639 HZ2 LYS C 39 -38.277 21.101 1.191 1.00 15.00 H +ATOM 6640 HZ3 LYS C 39 -39.272 22.255 0.437 1.00 15.00 H +ATOM 6641 N PRO C 40 -32.588 24.272 6.448 1.00 42.34 N +ATOM 6642 CA PRO C 40 -31.220 24.148 6.955 1.00 42.95 C +ATOM 6643 C PRO C 40 -30.251 23.584 5.932 1.00 41.27 C +ATOM 6644 O PRO C 40 -30.586 22.661 5.182 1.00 33.15 O +ATOM 6645 CB PRO C 40 -31.386 23.221 8.163 1.00 43.88 C +ATOM 6646 CG PRO C 40 -32.629 22.452 7.850 1.00 40.86 C +ATOM 6647 CD PRO C 40 -33.519 23.525 7.307 1.00 48.40 C +ATOM 6648 N GLY C 41 -29.061 24.178 5.894 1.00 42.07 N +ATOM 6649 CA GLY C 41 -28.041 23.750 4.958 1.00 50.63 C +ATOM 6650 C GLY C 41 -28.454 23.999 3.518 1.00 50.62 C +ATOM 6651 O GLY C 41 -27.984 23.312 2.602 1.00 48.03 O +ATOM 6652 H GLY C 41 -28.871 24.922 6.496 1.00 15.00 H +ATOM 6653 N ASN C 42 -29.298 25.008 3.312 1.00 46.02 N +ATOM 6654 CA ASN C 42 -29.775 25.330 1.973 1.00 45.15 C +ATOM 6655 C ASN C 42 -29.912 26.846 1.745 1.00 41.94 C +ATOM 6656 O ASN C 42 -29.990 27.616 2.712 1.00 36.18 O +ATOM 6657 CB ASN C 42 -31.113 24.622 1.742 1.00 45.53 C +ATOM 6658 CG ASN C 42 -31.533 24.633 0.296 1.00 49.79 C +ATOM 6659 OD1 ASN C 42 -30.972 23.914 -0.533 1.00 46.56 O +ATOM 6660 ND2 ASN C 42 -32.513 25.464 -0.024 1.00 56.51 N +ATOM 6661 H ASN C 42 -29.643 25.541 4.055 1.00 15.00 H +ATOM 6662 HD21 ASN C 42 -32.804 25.479 -0.957 1.00 15.00 H +ATOM 6663 HD22 ASN C 42 -32.920 26.043 0.651 1.00 15.00 H +ATOM 6664 N ILE C 43 -29.905 27.269 0.475 1.00 32.84 N +ATOM 6665 CA ILE C 43 -30.045 28.687 0.122 1.00 22.18 C +ATOM 6666 C ILE C 43 -31.513 29.066 0.182 1.00 19.97 C +ATOM 6667 O ILE C 43 -32.380 28.227 -0.030 1.00 28.50 O +ATOM 6668 CB ILE C 43 -29.514 29.006 -1.293 1.00 16.17 C +ATOM 6669 CG1 ILE C 43 -30.426 28.426 -2.372 1.00 21.45 C +ATOM 6670 CG2 ILE C 43 -28.121 28.431 -1.469 1.00 28.03 C +ATOM 6671 CD1 ILE C 43 -30.137 26.971 -2.723 1.00 30.26 C +ATOM 6672 H ILE C 43 -29.811 26.601 -0.231 1.00 15.00 H +ATOM 6673 N PRO C 44 -31.816 30.332 0.478 1.00 16.38 N +ATOM 6674 CA PRO C 44 -33.207 30.784 0.557 1.00 17.09 C +ATOM 6675 C PRO C 44 -33.873 30.526 -0.779 1.00 27.54 C +ATOM 6676 O PRO C 44 -33.206 30.442 -1.807 1.00 37.55 O +ATOM 6677 CB PRO C 44 -33.073 32.296 0.743 1.00 21.13 C +ATOM 6678 CG PRO C 44 -31.696 32.492 1.275 1.00 13.57 C +ATOM 6679 CD PRO C 44 -30.890 31.471 0.522 1.00 14.79 C +ATOM 6680 N LYS C 45 -35.188 30.390 -0.765 1.00 30.35 N +ATOM 6681 CA LYS C 45 -35.934 30.190 -1.990 1.00 29.69 C +ATOM 6682 C LYS C 45 -37.026 31.213 -1.857 1.00 32.72 C +ATOM 6683 O LYS C 45 -37.544 31.433 -0.748 1.00 24.55 O +ATOM 6684 CB LYS C 45 -36.553 28.793 -2.063 1.00 37.37 C +ATOM 6685 CG LYS C 45 -37.389 28.576 -3.329 1.00 55.29 C +ATOM 6686 CD LYS C 45 -38.628 27.719 -3.080 1.00 51.73 C +ATOM 6687 CE LYS C 45 -38.309 26.237 -3.030 1.00 56.18 C +ATOM 6688 NZ LYS C 45 -39.524 25.444 -2.678 1.00 62.22 N +ATOM 6689 H LYS C 45 -35.683 30.438 0.073 1.00 15.00 H +ATOM 6690 HZ1 LYS C 45 -40.271 25.630 -3.378 1.00 15.00 H +ATOM 6691 HZ2 LYS C 45 -39.291 24.431 -2.678 1.00 15.00 H +ATOM 6692 HZ3 LYS C 45 -39.849 25.734 -1.734 1.00 15.00 H +ATOM 6693 N LEU C 46 -37.324 31.905 -2.947 1.00 33.65 N +ATOM 6694 CA LEU C 46 -38.382 32.897 -2.885 1.00 32.46 C +ATOM 6695 C LEU C 46 -39.702 32.154 -2.840 1.00 27.06 C +ATOM 6696 O LEU C 46 -39.910 31.217 -3.612 1.00 26.98 O +ATOM 6697 CB LEU C 46 -38.335 33.825 -4.088 1.00 28.86 C +ATOM 6698 CG LEU C 46 -39.442 34.879 -4.090 1.00 27.75 C +ATOM 6699 CD1 LEU C 46 -39.561 35.582 -2.747 1.00 14.69 C +ATOM 6700 CD2 LEU C 46 -39.147 35.867 -5.190 1.00 32.32 C +ATOM 6701 H LEU C 46 -36.850 31.745 -3.785 1.00 15.00 H +ATOM 6702 N LEU C 47 -40.551 32.520 -1.888 1.00 19.90 N +ATOM 6703 CA LEU C 47 -41.848 31.877 -1.741 1.00 23.86 C +ATOM 6704 C LEU C 47 -42.959 32.773 -2.237 1.00 27.98 C +ATOM 6705 O LEU C 47 -43.777 32.362 -3.056 1.00 36.95 O +ATOM 6706 CB LEU C 47 -42.165 31.557 -0.274 1.00 31.54 C +ATOM 6707 CG LEU C 47 -41.446 30.512 0.576 1.00 29.63 C +ATOM 6708 CD1 LEU C 47 -41.956 30.638 2.003 1.00 21.63 C +ATOM 6709 CD2 LEU C 47 -41.699 29.120 0.041 1.00 23.30 C +ATOM 6710 H LEU C 47 -40.288 33.224 -1.265 1.00 15.00 H +ATOM 6711 N ILE C 48 -42.989 33.999 -1.732 1.00 26.71 N +ATOM 6712 CA ILE C 48 -44.036 34.949 -2.071 1.00 23.16 C +ATOM 6713 C ILE C 48 -43.461 36.356 -2.179 1.00 32.40 C +ATOM 6714 O ILE C 48 -42.529 36.699 -1.448 1.00 44.76 O +ATOM 6715 CB ILE C 48 -45.106 34.900 -0.971 1.00 30.98 C +ATOM 6716 CG1 ILE C 48 -45.851 33.555 -1.034 1.00 36.33 C +ATOM 6717 CG2 ILE C 48 -46.034 36.096 -1.059 1.00 35.20 C +ATOM 6718 CD1 ILE C 48 -46.797 33.284 0.139 1.00 41.86 C +ATOM 6719 H ILE C 48 -42.280 34.278 -1.115 1.00 15.00 H +ATOM 6720 N TYR C 49 -43.996 37.163 -3.095 1.00 35.01 N +ATOM 6721 CA TYR C 49 -43.516 38.531 -3.287 1.00 29.91 C +ATOM 6722 C TYR C 49 -44.661 39.495 -3.463 1.00 26.41 C +ATOM 6723 O TYR C 49 -45.745 39.108 -3.897 1.00 14.18 O +ATOM 6724 CB TYR C 49 -42.625 38.615 -4.517 1.00 32.07 C +ATOM 6725 CG TYR C 49 -43.301 38.149 -5.786 1.00 39.05 C +ATOM 6726 CD1 TYR C 49 -44.076 39.015 -6.552 1.00 43.15 C +ATOM 6727 CD2 TYR C 49 -43.148 36.841 -6.232 1.00 48.73 C +ATOM 6728 CE1 TYR C 49 -44.678 38.585 -7.728 1.00 45.13 C +ATOM 6729 CE2 TYR C 49 -43.744 36.406 -7.407 1.00 51.07 C +ATOM 6730 CZ TYR C 49 -44.506 37.280 -8.147 1.00 44.74 C +ATOM 6731 OH TYR C 49 -45.091 36.839 -9.307 1.00 59.61 O +ATOM 6732 H TYR C 49 -44.742 36.852 -3.660 1.00 15.00 H +ATOM 6733 HH TYR C 49 -45.645 37.532 -9.674 1.00 15.00 H +ATOM 6734 N LYS C 50 -44.379 40.769 -3.225 1.00 29.47 N +ATOM 6735 CA LYS C 50 -45.386 41.805 -3.345 1.00 29.54 C +ATOM 6736 C LYS C 50 -46.637 41.352 -2.606 1.00 24.84 C +ATOM 6737 O LYS C 50 -47.643 41.010 -3.213 1.00 27.30 O +ATOM 6738 CB LYS C 50 -45.692 42.097 -4.820 1.00 34.65 C +ATOM 6739 CG LYS C 50 -46.628 43.283 -5.028 1.00 46.76 C +ATOM 6740 CD LYS C 50 -46.479 43.925 -6.416 1.00 63.09 C +ATOM 6741 CE LYS C 50 -47.386 43.315 -7.494 1.00 69.11 C +ATOM 6742 NZ LYS C 50 -47.169 43.955 -8.842 1.00 61.73 N +ATOM 6743 H LYS C 50 -43.472 41.008 -2.964 1.00 15.00 H +ATOM 6744 HZ1 LYS C 50 -47.364 44.975 -8.775 1.00 15.00 H +ATOM 6745 HZ2 LYS C 50 -46.181 43.809 -9.131 1.00 15.00 H +ATOM 6746 HZ3 LYS C 50 -47.805 43.525 -9.542 1.00 15.00 H +ATOM 6747 N ALA C 51 -46.496 41.203 -1.296 1.00 31.01 N +ATOM 6748 CA ALA C 51 -47.587 40.803 -0.405 1.00 31.82 C +ATOM 6749 C ALA C 51 -48.179 39.387 -0.495 1.00 31.69 C +ATOM 6750 O ALA C 51 -48.308 38.720 0.534 1.00 30.21 O +ATOM 6751 CB ALA C 51 -48.710 41.842 -0.452 1.00 36.84 C +ATOM 6752 H ALA C 51 -45.614 41.341 -0.901 1.00 15.00 H +ATOM 6753 N SER C 52 -48.535 38.914 -1.691 1.00 31.68 N +ATOM 6754 CA SER C 52 -49.152 37.589 -1.803 1.00 29.52 C +ATOM 6755 C SER C 52 -49.001 36.866 -3.130 1.00 26.78 C +ATOM 6756 O SER C 52 -49.442 35.722 -3.274 1.00 27.08 O +ATOM 6757 CB SER C 52 -50.637 37.724 -1.521 1.00 36.14 C +ATOM 6758 OG SER C 52 -51.163 38.779 -2.314 1.00 45.53 O +ATOM 6759 H SER C 52 -48.435 39.470 -2.483 1.00 15.00 H +ATOM 6760 HG SER C 52 -52.092 38.854 -2.079 1.00 15.00 H +ATOM 6761 N ASN C 53 -48.430 37.535 -4.118 1.00 26.12 N +ATOM 6762 CA ASN C 53 -48.264 36.906 -5.417 1.00 33.64 C +ATOM 6763 C ASN C 53 -47.244 35.763 -5.296 1.00 33.58 C +ATOM 6764 O ASN C 53 -46.064 35.986 -5.002 1.00 34.85 O +ATOM 6765 CB ASN C 53 -47.863 37.954 -6.466 1.00 34.80 C +ATOM 6766 CG ASN C 53 -48.921 39.060 -6.630 1.00 48.80 C +ATOM 6767 OD1 ASN C 53 -49.722 39.046 -7.569 1.00 59.39 O +ATOM 6768 ND2 ASN C 53 -48.922 40.020 -5.714 1.00 53.93 N +ATOM 6769 H ASN C 53 -48.069 38.429 -3.960 1.00 15.00 H +ATOM 6770 HD21 ASN C 53 -49.607 40.710 -5.812 1.00 15.00 H +ATOM 6771 HD22 ASN C 53 -48.266 40.032 -4.985 1.00 15.00 H +ATOM 6772 N LEU C 54 -47.745 34.533 -5.382 1.00 28.04 N +ATOM 6773 CA LEU C 54 -46.904 33.345 -5.285 1.00 25.77 C +ATOM 6774 C LEU C 54 -45.909 33.242 -6.408 1.00 28.44 C +ATOM 6775 O LEU C 54 -46.199 33.573 -7.551 1.00 43.48 O +ATOM 6776 CB LEU C 54 -47.741 32.067 -5.295 1.00 24.49 C +ATOM 6777 CG LEU C 54 -48.129 31.458 -3.947 1.00 32.22 C +ATOM 6778 CD1 LEU C 54 -49.087 32.381 -3.193 1.00 32.85 C +ATOM 6779 CD2 LEU C 54 -48.765 30.094 -4.185 1.00 28.82 C +ATOM 6780 H LEU C 54 -48.707 34.439 -5.504 1.00 15.00 H +ATOM 6781 N HIS C 55 -44.748 32.711 -6.081 1.00 29.89 N +ATOM 6782 CA HIS C 55 -43.700 32.530 -7.051 1.00 38.00 C +ATOM 6783 C HIS C 55 -43.959 31.193 -7.747 1.00 39.70 C +ATOM 6784 O HIS C 55 -44.811 30.421 -7.310 1.00 35.26 O +ATOM 6785 CB HIS C 55 -42.361 32.525 -6.325 1.00 47.58 C +ATOM 6786 CG HIS C 55 -41.188 32.290 -7.215 1.00 57.15 C +ATOM 6787 ND1 HIS C 55 -41.004 32.971 -8.399 1.00 62.12 N +ATOM 6788 CD2 HIS C 55 -40.138 31.443 -7.099 1.00 63.55 C +ATOM 6789 CE1 HIS C 55 -39.890 32.553 -8.974 1.00 72.01 C +ATOM 6790 NE2 HIS C 55 -39.346 31.626 -8.205 1.00 71.50 N +ATOM 6791 H HIS C 55 -44.627 32.397 -5.158 1.00 15.00 H +ATOM 6792 HD1 HIS C 55 -41.590 33.675 -8.758 1.00 15.00 H +ATOM 6793 HE2 HIS C 55 -38.507 31.144 -8.383 1.00 15.00 H +ATOM 6794 N THR C 56 -43.251 30.941 -8.845 1.00 46.33 N +ATOM 6795 CA THR C 56 -43.404 29.698 -9.600 1.00 53.78 C +ATOM 6796 C THR C 56 -42.689 28.549 -8.891 1.00 54.94 C +ATOM 6797 O THR C 56 -41.560 28.711 -8.432 1.00 68.61 O +ATOM 6798 CB THR C 56 -42.856 29.842 -11.054 1.00 58.10 C +ATOM 6799 OG1 THR C 56 -41.430 30.012 -11.035 1.00 59.70 O +ATOM 6800 CG2 THR C 56 -43.489 31.053 -11.744 1.00 58.10 C +ATOM 6801 H THR C 56 -42.602 31.567 -9.200 1.00 15.00 H +ATOM 6802 HG1 THR C 56 -41.086 29.910 -11.933 1.00 15.00 H +ATOM 6803 N GLY C 57 -43.350 27.400 -8.789 1.00 56.55 N +ATOM 6804 CA GLY C 57 -42.764 26.247 -8.120 1.00 54.46 C +ATOM 6805 C GLY C 57 -43.334 26.101 -6.720 1.00 51.24 C +ATOM 6806 O GLY C 57 -43.440 24.991 -6.194 1.00 53.17 O +ATOM 6807 H GLY C 57 -44.264 27.330 -9.128 1.00 15.00 H +ATOM 6808 N VAL C 58 -43.745 27.233 -6.148 1.00 48.72 N +ATOM 6809 CA VAL C 58 -44.317 27.312 -4.803 1.00 45.89 C +ATOM 6810 C VAL C 58 -45.756 26.790 -4.743 1.00 50.95 C +ATOM 6811 O VAL C 58 -46.636 27.319 -5.429 1.00 52.39 O +ATOM 6812 CB VAL C 58 -44.301 28.771 -4.303 1.00 39.30 C +ATOM 6813 CG1 VAL C 58 -44.903 28.864 -2.920 1.00 36.86 C +ATOM 6814 CG2 VAL C 58 -42.880 29.314 -4.315 1.00 35.73 C +ATOM 6815 H VAL C 58 -43.686 28.071 -6.646 1.00 15.00 H +ATOM 6816 N PRO C 59 -46.012 25.764 -3.898 1.00 53.18 N +ATOM 6817 CA PRO C 59 -47.302 25.094 -3.668 1.00 52.55 C +ATOM 6818 C PRO C 59 -48.393 25.971 -3.048 1.00 51.26 C +ATOM 6819 O PRO C 59 -48.122 26.805 -2.185 1.00 52.14 O +ATOM 6820 CB PRO C 59 -46.928 23.957 -2.715 1.00 52.98 C +ATOM 6821 CG PRO C 59 -45.490 23.698 -3.023 1.00 51.97 C +ATOM 6822 CD PRO C 59 -44.953 25.089 -3.129 1.00 53.63 C +ATOM 6823 N SER C 60 -49.637 25.680 -3.408 1.00 50.64 N +ATOM 6824 CA SER C 60 -50.801 26.420 -2.924 1.00 55.33 C +ATOM 6825 C SER C 60 -50.974 26.451 -1.404 1.00 56.68 C +ATOM 6826 O SER C 60 -51.787 27.215 -0.883 1.00 58.54 O +ATOM 6827 CB SER C 60 -52.065 25.857 -3.574 1.00 57.64 C +ATOM 6828 OG SER C 60 -51.985 24.441 -3.674 1.00 65.50 O +ATOM 6829 H SER C 60 -49.824 24.936 -4.017 1.00 15.00 H +ATOM 6830 HG SER C 60 -52.813 24.114 -4.045 1.00 15.00 H +ATOM 6831 N ARG C 61 -50.241 25.595 -0.701 1.00 58.42 N +ATOM 6832 CA ARG C 61 -50.319 25.532 0.755 1.00 54.84 C +ATOM 6833 C ARG C 61 -49.959 26.874 1.378 1.00 52.31 C +ATOM 6834 O ARG C 61 -50.664 27.369 2.261 1.00 56.96 O +ATOM 6835 CB ARG C 61 -49.347 24.485 1.300 1.00 59.70 C +ATOM 6836 CG ARG C 61 -49.625 23.062 0.892 1.00 66.42 C +ATOM 6837 CD ARG C 61 -48.599 22.121 1.519 1.00 76.64 C +ATOM 6838 NE ARG C 61 -47.280 22.210 0.888 1.00 77.10 N +ATOM 6839 CZ ARG C 61 -46.176 21.634 1.363 1.00 79.61 C +ATOM 6840 NH1 ARG C 61 -46.211 20.928 2.488 1.00 69.54 N +ATOM 6841 NH2 ARG C 61 -45.036 21.733 0.690 1.00 92.32 N +ATOM 6842 H ARG C 61 -49.643 24.998 -1.185 1.00 15.00 H +ATOM 6843 HE ARG C 61 -47.200 22.727 0.060 1.00 15.00 H +ATOM 6844 HH11 ARG C 61 -47.071 20.830 2.989 1.00 15.00 H +ATOM 6845 HH12 ARG C 61 -45.379 20.501 2.839 1.00 15.00 H +ATOM 6846 HH21 ARG C 61 -45.012 22.243 -0.171 1.00 15.00 H +ATOM 6847 HH22 ARG C 61 -44.206 21.303 1.045 1.00 15.00 H +ATOM 6848 N PHE C 62 -48.819 27.415 0.956 1.00 42.52 N +ATOM 6849 CA PHE C 62 -48.320 28.684 1.467 1.00 32.49 C +ATOM 6850 C PHE C 62 -49.160 29.786 0.874 1.00 27.08 C +ATOM 6851 O PHE C 62 -49.419 29.777 -0.319 1.00 24.70 O +ATOM 6852 CB PHE C 62 -46.871 28.903 1.034 1.00 28.30 C +ATOM 6853 CG PHE C 62 -45.914 27.836 1.497 1.00 20.40 C +ATOM 6854 CD1 PHE C 62 -45.317 27.918 2.749 1.00 24.37 C +ATOM 6855 CD2 PHE C 62 -45.563 26.787 0.655 1.00 11.91 C +ATOM 6856 CE1 PHE C 62 -44.375 26.971 3.159 1.00 31.92 C +ATOM 6857 CE2 PHE C 62 -44.623 25.835 1.052 1.00 27.02 C +ATOM 6858 CZ PHE C 62 -44.027 25.926 2.305 1.00 24.92 C +ATOM 6859 H PHE C 62 -48.332 26.993 0.220 1.00 15.00 H +ATOM 6860 N SER C 63 -49.593 30.725 1.702 1.00 31.31 N +ATOM 6861 CA SER C 63 -50.403 31.836 1.222 1.00 37.67 C +ATOM 6862 C SER C 63 -50.111 33.096 1.999 1.00 34.39 C +ATOM 6863 O SER C 63 -50.258 33.144 3.223 1.00 34.01 O +ATOM 6864 CB SER C 63 -51.897 31.514 1.310 1.00 48.72 C +ATOM 6865 OG SER C 63 -52.284 30.549 0.342 1.00 62.80 O +ATOM 6866 H SER C 63 -49.413 30.656 2.661 1.00 15.00 H +ATOM 6867 HG SER C 63 -51.766 29.733 0.420 1.00 15.00 H +ATOM 6868 N GLY C 64 -49.610 34.090 1.287 1.00 31.85 N +ATOM 6869 CA GLY C 64 -49.315 35.357 1.913 1.00 32.28 C +ATOM 6870 C GLY C 64 -50.573 36.195 1.832 1.00 35.87 C +ATOM 6871 O GLY C 64 -51.426 35.964 0.961 1.00 38.73 O +ATOM 6872 H GLY C 64 -49.481 33.992 0.322 1.00 15.00 H +ATOM 6873 N SER C 65 -50.686 37.159 2.736 1.00 32.34 N +ATOM 6874 CA SER C 65 -51.836 38.051 2.805 1.00 36.06 C +ATOM 6875 C SER C 65 -51.381 39.238 3.643 1.00 31.10 C +ATOM 6876 O SER C 65 -50.274 39.219 4.178 1.00 43.56 O +ATOM 6877 CB SER C 65 -53.013 37.333 3.483 1.00 45.39 C +ATOM 6878 OG SER C 65 -54.228 38.056 3.359 1.00 56.20 O +ATOM 6879 H SER C 65 -49.974 37.293 3.398 1.00 15.00 H +ATOM 6880 HG SER C 65 -54.926 37.515 3.741 1.00 15.00 H +ATOM 6881 N GLY C 66 -52.226 40.257 3.761 1.00 26.50 N +ATOM 6882 CA GLY C 66 -51.873 41.437 4.536 1.00 27.95 C +ATOM 6883 C GLY C 66 -51.160 42.511 3.724 1.00 26.26 C +ATOM 6884 O GLY C 66 -50.455 42.190 2.772 1.00 35.19 O +ATOM 6885 H GLY C 66 -53.085 40.193 3.302 1.00 15.00 H +ATOM 6886 N SER C 67 -51.329 43.777 4.101 1.00 22.71 N +ATOM 6887 CA SER C 67 -50.713 44.900 3.399 1.00 28.88 C +ATOM 6888 C SER C 67 -50.767 46.133 4.283 1.00 36.16 C +ATOM 6889 O SER C 67 -51.620 46.237 5.167 1.00 43.84 O +ATOM 6890 CB SER C 67 -51.470 45.207 2.104 1.00 37.26 C +ATOM 6891 OG SER C 67 -51.609 44.060 1.276 1.00 48.60 O +ATOM 6892 H SER C 67 -51.881 43.991 4.883 1.00 15.00 H +ATOM 6893 HG SER C 67 -50.795 43.533 1.309 1.00 15.00 H +ATOM 6894 N GLY C 68 -49.882 47.085 4.014 1.00 39.53 N +ATOM 6895 CA GLY C 68 -49.837 48.309 4.793 1.00 44.11 C +ATOM 6896 C GLY C 68 -48.639 48.272 5.719 1.00 51.86 C +ATOM 6897 O GLY C 68 -47.536 48.704 5.351 1.00 45.28 O +ATOM 6898 H GLY C 68 -49.233 46.975 3.283 1.00 15.00 H +ATOM 6899 N THR C 69 -48.854 47.716 6.908 1.00 54.98 N +ATOM 6900 CA THR C 69 -47.812 47.588 7.925 1.00 54.08 C +ATOM 6901 C THR C 69 -48.041 46.355 8.816 1.00 52.57 C +ATOM 6902 O THR C 69 -48.383 46.477 9.996 1.00 58.13 O +ATOM 6903 CB THR C 69 -47.713 48.871 8.805 1.00 54.10 C +ATOM 6904 OG1 THR C 69 -49.026 49.377 9.091 1.00 55.21 O +ATOM 6905 CG2 THR C 69 -46.897 49.949 8.103 1.00 51.92 C +ATOM 6906 H THR C 69 -49.753 47.400 7.142 1.00 15.00 H +ATOM 6907 HG1 THR C 69 -48.918 50.078 9.740 1.00 15.00 H +ATOM 6908 N GLY C 70 -47.844 45.172 8.239 1.00 44.83 N +ATOM 6909 CA GLY C 70 -48.029 43.925 8.965 1.00 41.17 C +ATOM 6910 C GLY C 70 -48.554 42.884 7.998 1.00 39.67 C +ATOM 6911 O GLY C 70 -49.710 42.946 7.595 1.00 32.12 O +ATOM 6912 H GLY C 70 -47.601 45.132 7.293 1.00 15.00 H +ATOM 6913 N PHE C 71 -47.716 41.926 7.627 1.00 41.70 N +ATOM 6914 CA PHE C 71 -48.110 40.912 6.654 1.00 48.29 C +ATOM 6915 C PHE C 71 -48.131 39.533 7.286 1.00 46.92 C +ATOM 6916 O PHE C 71 -47.535 39.341 8.342 1.00 56.32 O +ATOM 6917 CB PHE C 71 -47.146 40.956 5.464 1.00 60.20 C +ATOM 6918 CG PHE C 71 -46.973 42.337 4.877 1.00 64.95 C +ATOM 6919 CD1 PHE C 71 -46.325 43.340 5.594 1.00 67.72 C +ATOM 6920 CD2 PHE C 71 -47.484 42.643 3.623 1.00 70.77 C +ATOM 6921 CE1 PHE C 71 -46.195 44.620 5.074 1.00 67.62 C +ATOM 6922 CE2 PHE C 71 -47.358 43.923 3.094 1.00 75.03 C +ATOM 6923 CZ PHE C 71 -46.713 44.911 3.822 1.00 72.98 C +ATOM 6924 H PHE C 71 -46.828 41.873 8.036 1.00 15.00 H +ATOM 6925 N THR C 72 -48.760 38.561 6.632 1.00 38.19 N +ATOM 6926 CA THR C 72 -48.850 37.228 7.212 1.00 40.93 C +ATOM 6927 C THR C 72 -48.665 36.052 6.269 1.00 41.07 C +ATOM 6928 O THR C 72 -49.446 35.857 5.329 1.00 44.35 O +ATOM 6929 CB THR C 72 -50.225 37.008 7.911 1.00 51.36 C +ATOM 6930 OG1 THR C 72 -51.281 37.122 6.944 1.00 61.53 O +ATOM 6931 CG2 THR C 72 -50.456 38.020 9.029 1.00 44.12 C +ATOM 6932 H THR C 72 -49.191 38.734 5.768 1.00 15.00 H +ATOM 6933 HG1 THR C 72 -51.139 36.439 6.273 1.00 15.00 H +ATOM 6934 N LEU C 73 -47.651 35.244 6.542 1.00 39.80 N +ATOM 6935 CA LEU C 73 -47.424 34.053 5.747 1.00 33.25 C +ATOM 6936 C LEU C 73 -48.270 32.997 6.446 1.00 36.64 C +ATOM 6937 O LEU C 73 -48.392 33.010 7.679 1.00 32.37 O +ATOM 6938 CB LEU C 73 -45.958 33.645 5.771 1.00 25.36 C +ATOM 6939 CG LEU C 73 -45.694 32.238 5.219 1.00 30.92 C +ATOM 6940 CD1 LEU C 73 -46.082 32.156 3.753 1.00 26.70 C +ATOM 6941 CD2 LEU C 73 -44.230 31.860 5.412 1.00 28.87 C +ATOM 6942 H LEU C 73 -47.094 35.425 7.331 1.00 15.00 H +ATOM 6943 N THR C 74 -48.884 32.114 5.668 1.00 35.75 N +ATOM 6944 CA THR C 74 -49.721 31.074 6.235 1.00 33.65 C +ATOM 6945 C THR C 74 -49.574 29.739 5.530 1.00 32.34 C +ATOM 6946 O THR C 74 -49.847 29.623 4.333 1.00 35.49 O +ATOM 6947 CB THR C 74 -51.195 31.514 6.240 1.00 31.54 C +ATOM 6948 OG1 THR C 74 -51.367 32.558 7.205 1.00 44.96 O +ATOM 6949 CG2 THR C 74 -52.107 30.366 6.594 1.00 31.12 C +ATOM 6950 H THR C 74 -48.828 32.177 4.693 1.00 15.00 H +ATOM 6951 HG1 THR C 74 -50.514 32.662 7.649 1.00 15.00 H +ATOM 6952 N ILE C 75 -49.080 28.746 6.260 1.00 33.42 N +ATOM 6953 CA ILE C 75 -48.918 27.408 5.702 1.00 38.63 C +ATOM 6954 C ILE C 75 -50.122 26.581 6.152 1.00 40.84 C +ATOM 6955 O ILE C 75 -50.314 26.346 7.345 1.00 35.23 O +ATOM 6956 CB ILE C 75 -47.601 26.720 6.147 1.00 32.83 C +ATOM 6957 CG1 ILE C 75 -46.371 27.491 5.639 1.00 21.19 C +ATOM 6958 CG2 ILE C 75 -47.547 25.309 5.569 1.00 35.80 C +ATOM 6959 CD1 ILE C 75 -46.017 28.743 6.406 1.00 16.96 C +ATOM 6960 H ILE C 75 -48.854 28.920 7.197 1.00 15.00 H +ATOM 6961 N SER C 76 -50.931 26.173 5.180 1.00 49.02 N +ATOM 6962 CA SER C 76 -52.155 25.407 5.408 1.00 59.10 C +ATOM 6963 C SER C 76 -52.032 24.113 6.203 1.00 62.45 C +ATOM 6964 O SER C 76 -52.455 24.051 7.356 1.00 68.97 O +ATOM 6965 CB SER C 76 -52.841 25.129 4.072 1.00 62.70 C +ATOM 6966 OG SER C 76 -53.090 26.339 3.374 1.00 72.47 O +ATOM 6967 H SER C 76 -50.710 26.427 4.262 1.00 15.00 H +ATOM 6968 HG SER C 76 -52.305 26.804 3.052 1.00 15.00 H +ATOM 6969 N SER C 77 -51.522 23.065 5.569 1.00 59.24 N +ATOM 6970 CA SER C 77 -51.366 21.786 6.244 1.00 57.28 C +ATOM 6971 C SER C 77 -49.882 21.468 6.353 1.00 56.87 C +ATOM 6972 O SER C 77 -49.286 20.951 5.403 1.00 59.43 O +ATOM 6973 CB SER C 77 -52.087 20.694 5.457 1.00 54.49 C +ATOM 6974 OG SER C 77 -51.609 20.632 4.126 1.00 50.66 O +ATOM 6975 H SER C 77 -51.236 23.100 4.636 1.00 15.00 H +ATOM 6976 HG SER C 77 -50.694 20.303 4.165 1.00 15.00 H +ATOM 6977 N LEU C 78 -49.281 21.801 7.493 1.00 47.13 N +ATOM 6978 CA LEU C 78 -47.855 21.559 7.694 1.00 41.36 C +ATOM 6979 C LEU C 78 -47.387 20.190 7.264 1.00 37.67 C +ATOM 6980 O LEU C 78 -48.114 19.213 7.371 1.00 43.21 O +ATOM 6981 CB LEU C 78 -47.465 21.791 9.143 1.00 44.28 C +ATOM 6982 CG LEU C 78 -47.084 23.235 9.412 1.00 53.23 C +ATOM 6983 CD1 LEU C 78 -45.924 23.607 8.501 1.00 61.61 C +ATOM 6984 CD2 LEU C 78 -48.271 24.141 9.158 1.00 56.36 C +ATOM 6985 H LEU C 78 -49.832 22.231 8.188 1.00 15.00 H +ATOM 6986 N GLN C 79 -46.146 20.121 6.810 1.00 40.01 N +ATOM 6987 CA GLN C 79 -45.569 18.870 6.348 1.00 40.01 C +ATOM 6988 C GLN C 79 -44.061 18.907 6.576 1.00 48.59 C +ATOM 6989 O GLN C 79 -43.474 19.980 6.744 1.00 45.51 O +ATOM 6990 CB GLN C 79 -45.834 18.701 4.853 1.00 39.58 C +ATOM 6991 CG GLN C 79 -47.283 18.778 4.452 1.00 35.21 C +ATOM 6992 CD GLN C 79 -47.785 17.485 3.874 1.00 46.36 C +ATOM 6993 OE1 GLN C 79 -48.853 17.002 4.242 1.00 52.44 O +ATOM 6994 NE2 GLN C 79 -47.014 16.906 2.959 1.00 52.84 N +ATOM 6995 H GLN C 79 -45.574 20.918 6.798 1.00 15.00 H +ATOM 6996 HE21 GLN C 79 -47.359 16.062 2.606 1.00 15.00 H +ATOM 6997 HE22 GLN C 79 -46.180 17.323 2.685 1.00 15.00 H +ATOM 6998 N PRO C 80 -43.407 17.734 6.539 1.00 52.63 N +ATOM 6999 CA PRO C 80 -41.958 17.602 6.734 1.00 50.38 C +ATOM 7000 C PRO C 80 -41.159 18.527 5.821 1.00 45.33 C +ATOM 7001 O PRO C 80 -40.275 19.244 6.275 1.00 46.91 O +ATOM 7002 CB PRO C 80 -41.709 16.139 6.381 1.00 55.91 C +ATOM 7003 CG PRO C 80 -42.958 15.478 6.864 1.00 60.57 C +ATOM 7004 CD PRO C 80 -44.032 16.411 6.362 1.00 54.38 C +ATOM 7005 N GLU C 81 -41.526 18.557 4.545 1.00 40.99 N +ATOM 7006 CA GLU C 81 -40.847 19.391 3.559 1.00 40.90 C +ATOM 7007 C GLU C 81 -40.847 20.848 3.979 1.00 33.35 C +ATOM 7008 O GLU C 81 -40.228 21.682 3.327 1.00 38.56 O +ATOM 7009 CB GLU C 81 -41.532 19.294 2.185 1.00 52.05 C +ATOM 7010 CG GLU C 81 -41.698 17.884 1.625 1.00 67.56 C +ATOM 7011 CD GLU C 81 -42.875 17.135 2.242 1.00 78.58 C +ATOM 7012 OE1 GLU C 81 -43.982 17.713 2.325 1.00 74.95 O +ATOM 7013 OE2 GLU C 81 -42.692 15.966 2.644 1.00 81.56 O +ATOM 7014 H GLU C 81 -42.270 17.989 4.291 1.00 15.00 H +ATOM 7015 N ASP C 82 -41.567 21.162 5.047 1.00 26.05 N +ATOM 7016 CA ASP C 82 -41.649 22.530 5.499 1.00 24.93 C +ATOM 7017 C ASP C 82 -40.837 22.899 6.713 1.00 27.70 C +ATOM 7018 O ASP C 82 -41.006 23.988 7.267 1.00 27.35 O +ATOM 7019 CB ASP C 82 -43.102 22.936 5.652 1.00 25.77 C +ATOM 7020 CG ASP C 82 -43.819 22.997 4.316 1.00 40.17 C +ATOM 7021 OD1 ASP C 82 -43.128 23.128 3.265 1.00 33.42 O +ATOM 7022 OD2 ASP C 82 -45.069 22.911 4.320 1.00 42.17 O +ATOM 7023 H ASP C 82 -42.066 20.524 5.573 1.00 15.00 H +ATOM 7024 N ILE C 83 -39.941 22.007 7.126 1.00 30.12 N +ATOM 7025 CA ILE C 83 -39.079 22.304 8.263 1.00 26.71 C +ATOM 7026 C ILE C 83 -38.088 23.285 7.657 1.00 22.37 C +ATOM 7027 O ILE C 83 -37.374 22.938 6.714 1.00 28.46 O +ATOM 7028 CB ILE C 83 -38.269 21.076 8.748 1.00 24.57 C +ATOM 7029 CG1 ILE C 83 -39.180 19.874 8.982 1.00 34.03 C +ATOM 7030 CG2 ILE C 83 -37.548 21.412 10.046 1.00 14.81 C +ATOM 7031 CD1 ILE C 83 -38.424 18.576 9.183 1.00 34.49 C +ATOM 7032 H ILE C 83 -39.830 21.168 6.631 1.00 15.00 H +ATOM 7033 N ALA C 84 -38.070 24.512 8.156 1.00 11.38 N +ATOM 7034 CA ALA C 84 -37.156 25.504 7.632 1.00 11.20 C +ATOM 7035 C ALA C 84 -37.171 26.738 8.513 1.00 19.41 C +ATOM 7036 O ALA C 84 -37.744 26.723 9.597 1.00 27.74 O +ATOM 7037 CB ALA C 84 -37.580 25.864 6.236 1.00 9.73 C +ATOM 7038 H ALA C 84 -38.670 24.775 8.884 1.00 15.00 H +ATOM 7039 N THR C 85 -36.455 27.772 8.091 1.00 23.94 N +ATOM 7040 CA THR C 85 -36.455 29.050 8.790 1.00 21.67 C +ATOM 7041 C THR C 85 -37.147 29.919 7.738 1.00 23.39 C +ATOM 7042 O THR C 85 -36.900 29.749 6.540 1.00 26.05 O +ATOM 7043 CB THR C 85 -35.049 29.605 9.032 1.00 21.23 C +ATOM 7044 OG1 THR C 85 -34.253 28.642 9.735 1.00 35.54 O +ATOM 7045 CG2 THR C 85 -35.138 30.869 9.853 1.00 24.11 C +ATOM 7046 H THR C 85 -35.967 27.739 7.271 1.00 15.00 H +ATOM 7047 HG1 THR C 85 -34.117 27.893 9.148 1.00 15.00 H +ATOM 7048 N TYR C 86 -38.076 30.771 8.154 1.00 22.50 N +ATOM 7049 CA TYR C 86 -38.783 31.613 7.204 1.00 17.90 C +ATOM 7050 C TYR C 86 -38.549 33.113 7.452 1.00 24.33 C +ATOM 7051 O TYR C 86 -38.726 33.604 8.574 1.00 23.49 O +ATOM 7052 CB TYR C 86 -40.273 31.257 7.213 1.00 12.65 C +ATOM 7053 CG TYR C 86 -40.572 29.846 6.741 1.00 22.05 C +ATOM 7054 CD1 TYR C 86 -40.107 28.744 7.447 1.00 33.78 C +ATOM 7055 CD2 TYR C 86 -41.298 29.611 5.576 1.00 28.81 C +ATOM 7056 CE1 TYR C 86 -40.347 27.438 7.006 1.00 34.61 C +ATOM 7057 CE2 TYR C 86 -41.547 28.306 5.126 1.00 34.62 C +ATOM 7058 CZ TYR C 86 -41.059 27.227 5.849 1.00 34.71 C +ATOM 7059 OH TYR C 86 -41.231 25.938 5.404 1.00 30.17 O +ATOM 7060 H TYR C 86 -38.311 30.817 9.104 1.00 15.00 H +ATOM 7061 HH TYR C 86 -40.831 25.325 6.019 1.00 15.00 H +ATOM 7062 N TYR C 87 -38.094 33.817 6.414 1.00 25.78 N +ATOM 7063 CA TYR C 87 -37.828 35.255 6.495 1.00 24.38 C +ATOM 7064 C TYR C 87 -38.807 36.066 5.637 1.00 22.52 C +ATOM 7065 O TYR C 87 -39.310 35.591 4.613 1.00 19.22 O +ATOM 7066 CB TYR C 87 -36.416 35.584 6.012 1.00 21.21 C +ATOM 7067 CG TYR C 87 -35.273 34.863 6.689 1.00 13.62 C +ATOM 7068 CD1 TYR C 87 -34.641 35.409 7.803 1.00 18.23 C +ATOM 7069 CD2 TYR C 87 -34.756 33.682 6.154 1.00 22.48 C +ATOM 7070 CE1 TYR C 87 -33.512 34.801 8.367 1.00 23.22 C +ATOM 7071 CE2 TYR C 87 -33.628 33.063 6.703 1.00 18.89 C +ATOM 7072 CZ TYR C 87 -33.007 33.630 7.809 1.00 28.78 C +ATOM 7073 OH TYR C 87 -31.869 33.045 8.331 1.00 31.39 O +ATOM 7074 H TYR C 87 -37.993 33.368 5.546 1.00 15.00 H +ATOM 7075 HH TYR C 87 -31.513 33.595 9.039 1.00 15.00 H +ATOM 7076 N CYS C 88 -39.004 37.316 6.034 1.00 19.88 N +ATOM 7077 CA CYS C 88 -39.891 38.242 5.341 1.00 28.25 C +ATOM 7078 C CYS C 88 -39.108 39.511 5.052 1.00 29.63 C +ATOM 7079 O CYS C 88 -38.882 40.333 5.939 1.00 26.16 O +ATOM 7080 CB CYS C 88 -41.075 38.589 6.225 1.00 16.40 C +ATOM 7081 SG CYS C 88 -40.553 39.326 7.796 1.00 30.36 S +ATOM 7082 H CYS C 88 -38.566 37.631 6.854 1.00 15.00 H +ATOM 7083 N GLN C 89 -38.697 39.663 3.803 1.00 34.04 N +ATOM 7084 CA GLN C 89 -37.914 40.812 3.383 1.00 32.79 C +ATOM 7085 C GLN C 89 -38.825 41.846 2.740 1.00 31.22 C +ATOM 7086 O GLN C 89 -39.912 41.502 2.275 1.00 38.34 O +ATOM 7087 CB GLN C 89 -36.851 40.338 2.407 1.00 24.89 C +ATOM 7088 CG GLN C 89 -35.965 41.412 1.886 1.00 30.76 C +ATOM 7089 CD GLN C 89 -36.184 41.625 0.427 1.00 27.78 C +ATOM 7090 OE1 GLN C 89 -37.117 42.313 0.037 1.00 22.12 O +ATOM 7091 NE2 GLN C 89 -35.350 40.999 -0.400 1.00 18.40 N +ATOM 7092 H GLN C 89 -39.006 39.022 3.131 1.00 15.00 H +ATOM 7093 HE21 GLN C 89 -35.501 41.149 -1.356 1.00 15.00 H +ATOM 7094 HE22 GLN C 89 -34.643 40.429 -0.039 1.00 15.00 H +ATOM 7095 N GLN C 90 -38.417 43.109 2.740 1.00 20.31 N +ATOM 7096 CA GLN C 90 -39.248 44.145 2.139 1.00 24.53 C +ATOM 7097 C GLN C 90 -38.477 44.875 1.063 1.00 30.76 C +ATOM 7098 O GLN C 90 -37.240 44.840 1.054 1.00 34.77 O +ATOM 7099 CB GLN C 90 -39.748 45.124 3.199 1.00 23.14 C +ATOM 7100 CG GLN C 90 -38.652 45.911 3.905 1.00 30.80 C +ATOM 7101 CD GLN C 90 -38.135 47.064 3.087 1.00 25.59 C +ATOM 7102 OE1 GLN C 90 -38.794 47.506 2.147 1.00 40.24 O +ATOM 7103 NE2 GLN C 90 -36.962 47.566 3.437 1.00 27.51 N +ATOM 7104 H GLN C 90 -37.551 43.365 3.125 1.00 15.00 H +ATOM 7105 HE21 GLN C 90 -36.583 48.290 2.894 1.00 15.00 H +ATOM 7106 HE22 GLN C 90 -36.497 47.188 4.219 1.00 15.00 H +ATOM 7107 N GLY C 91 -39.201 45.602 0.213 1.00 31.98 N +ATOM 7108 CA GLY C 91 -38.552 46.315 -0.874 1.00 31.55 C +ATOM 7109 C GLY C 91 -39.088 47.674 -1.271 1.00 27.10 C +ATOM 7110 O GLY C 91 -38.864 48.109 -2.397 1.00 32.61 O +ATOM 7111 H GLY C 91 -40.173 45.650 0.325 1.00 15.00 H +ATOM 7112 N GLN C 92 -39.818 48.336 -0.379 1.00 20.97 N +ATOM 7113 CA GLN C 92 -40.340 49.666 -0.680 1.00 25.24 C +ATOM 7114 C GLN C 92 -39.138 50.553 -0.933 1.00 28.95 C +ATOM 7115 O GLN C 92 -38.919 51.010 -2.051 1.00 35.98 O +ATOM 7116 CB GLN C 92 -41.142 50.224 0.501 1.00 34.40 C +ATOM 7117 CG GLN C 92 -41.345 51.753 0.518 1.00 42.28 C +ATOM 7118 CD GLN C 92 -42.560 52.229 -0.258 1.00 52.80 C +ATOM 7119 OE1 GLN C 92 -42.553 53.312 -0.847 1.00 61.38 O +ATOM 7120 NE2 GLN C 92 -43.617 51.433 -0.248 1.00 57.70 N +ATOM 7121 H GLN C 92 -39.946 47.921 0.499 1.00 15.00 H +ATOM 7122 HE21 GLN C 92 -44.362 51.780 -0.778 1.00 15.00 H +ATOM 7123 HE22 GLN C 92 -43.609 50.591 0.236 1.00 15.00 H +ATOM 7124 N SER C 93 -38.314 50.716 0.098 1.00 30.94 N +ATOM 7125 CA SER C 93 -37.129 51.554 0.016 1.00 29.19 C +ATOM 7126 C SER C 93 -35.842 50.782 0.249 1.00 33.10 C +ATOM 7127 O SER C 93 -35.856 49.621 0.652 1.00 41.44 O +ATOM 7128 CB SER C 93 -37.237 52.674 1.038 1.00 35.40 C +ATOM 7129 OG SER C 93 -38.517 53.273 0.962 1.00 39.81 O +ATOM 7130 H SER C 93 -38.462 50.229 0.930 1.00 15.00 H +ATOM 7131 HG SER C 93 -38.673 53.643 0.086 1.00 15.00 H +ATOM 7132 N TYR C 94 -34.725 51.439 -0.027 1.00 38.29 N +ATOM 7133 CA TYR C 94 -33.414 50.845 0.160 1.00 40.45 C +ATOM 7134 C TYR C 94 -32.843 51.329 1.491 1.00 48.04 C +ATOM 7135 O TYR C 94 -33.128 52.449 1.929 1.00 53.73 O +ATOM 7136 CB TYR C 94 -32.482 51.262 -0.972 1.00 38.52 C +ATOM 7137 CG TYR C 94 -32.740 50.562 -2.278 1.00 45.41 C +ATOM 7138 CD1 TYR C 94 -32.178 49.316 -2.537 1.00 48.50 C +ATOM 7139 CD2 TYR C 94 -33.508 51.160 -3.275 1.00 53.29 C +ATOM 7140 CE1 TYR C 94 -32.366 48.681 -3.757 1.00 54.49 C +ATOM 7141 CE2 TYR C 94 -33.702 50.531 -4.506 1.00 61.56 C +ATOM 7142 CZ TYR C 94 -33.124 49.290 -4.738 1.00 57.75 C +ATOM 7143 OH TYR C 94 -33.282 48.661 -5.951 1.00 64.50 O +ATOM 7144 H TYR C 94 -34.760 52.365 -0.336 1.00 15.00 H +ATOM 7145 HH TYR C 94 -33.853 49.199 -6.509 1.00 15.00 H +ATOM 7146 N PRO C 95 -32.045 50.483 2.166 1.00 52.23 N +ATOM 7147 CA PRO C 95 -31.678 49.126 1.730 1.00 49.81 C +ATOM 7148 C PRO C 95 -32.776 48.087 1.967 1.00 48.27 C +ATOM 7149 O PRO C 95 -33.709 48.306 2.744 1.00 50.39 O +ATOM 7150 CB PRO C 95 -30.431 48.826 2.560 1.00 46.48 C +ATOM 7151 CG PRO C 95 -30.671 49.597 3.829 1.00 50.60 C +ATOM 7152 CD PRO C 95 -31.255 50.901 3.342 1.00 50.53 C +ATOM 7153 N LEU C 96 -32.687 46.970 1.264 1.00 40.95 N +ATOM 7154 CA LEU C 96 -33.678 45.936 1.444 1.00 33.57 C +ATOM 7155 C LEU C 96 -33.339 45.327 2.788 1.00 34.67 C +ATOM 7156 O LEU C 96 -32.215 44.864 3.003 1.00 42.85 O +ATOM 7157 CB LEU C 96 -33.541 44.870 0.368 1.00 32.05 C +ATOM 7158 CG LEU C 96 -33.404 45.296 -1.083 1.00 26.39 C +ATOM 7159 CD1 LEU C 96 -33.369 44.039 -1.935 1.00 37.82 C +ATOM 7160 CD2 LEU C 96 -34.553 46.182 -1.495 1.00 28.08 C +ATOM 7161 H LEU C 96 -31.938 46.818 0.657 1.00 15.00 H +ATOM 7162 N THR C 97 -34.265 45.393 3.725 1.00 20.30 N +ATOM 7163 CA THR C 97 -34.013 44.806 5.021 1.00 22.51 C +ATOM 7164 C THR C 97 -34.915 43.601 5.228 1.00 25.76 C +ATOM 7165 O THR C 97 -35.982 43.497 4.612 1.00 19.59 O +ATOM 7166 CB THR C 97 -34.231 45.809 6.118 1.00 25.33 C +ATOM 7167 OG1 THR C 97 -35.509 46.419 5.938 1.00 33.03 O +ATOM 7168 CG2 THR C 97 -33.159 46.865 6.070 1.00 27.82 C +ATOM 7169 H THR C 97 -35.121 45.840 3.562 1.00 15.00 H +ATOM 7170 HG1 THR C 97 -35.742 46.770 6.794 1.00 15.00 H +ATOM 7171 N PHE C 98 -34.456 42.671 6.063 1.00 33.29 N +ATOM 7172 CA PHE C 98 -35.193 41.442 6.359 1.00 27.55 C +ATOM 7173 C PHE C 98 -35.545 41.404 7.836 1.00 33.56 C +ATOM 7174 O PHE C 98 -35.094 42.239 8.634 1.00 34.35 O +ATOM 7175 CB PHE C 98 -34.343 40.198 6.077 1.00 18.26 C +ATOM 7176 CG PHE C 98 -33.692 40.175 4.727 1.00 11.81 C +ATOM 7177 CD1 PHE C 98 -32.843 41.203 4.321 1.00 17.43 C +ATOM 7178 CD2 PHE C 98 -33.902 39.097 3.867 1.00 18.34 C +ATOM 7179 CE1 PHE C 98 -32.209 41.166 3.076 1.00 23.27 C +ATOM 7180 CE2 PHE C 98 -33.275 39.039 2.618 1.00 20.95 C +ATOM 7181 CZ PHE C 98 -32.422 40.084 2.222 1.00 25.72 C +ATOM 7182 H PHE C 98 -33.611 42.803 6.535 1.00 15.00 H +ATOM 7183 N GLY C 99 -36.321 40.391 8.194 1.00 42.31 N +ATOM 7184 CA GLY C 99 -36.724 40.203 9.570 1.00 43.14 C +ATOM 7185 C GLY C 99 -35.846 39.125 10.167 1.00 47.12 C +ATOM 7186 O GLY C 99 -35.134 38.420 9.428 1.00 35.13 O +ATOM 7187 H GLY C 99 -36.621 39.743 7.529 1.00 15.00 H +ATOM 7188 N GLY C 100 -35.921 38.989 11.494 1.00 53.18 N +ATOM 7189 CA GLY C 100 -35.133 38.008 12.230 1.00 49.65 C +ATOM 7190 C GLY C 100 -35.246 36.570 11.760 1.00 44.99 C +ATOM 7191 O GLY C 100 -34.289 35.801 11.859 1.00 49.93 O +ATOM 7192 H GLY C 100 -36.513 39.588 11.982 1.00 15.00 H +ATOM 7193 N GLY C 101 -36.407 36.205 11.238 1.00 37.97 N +ATOM 7194 CA GLY C 101 -36.597 34.852 10.762 1.00 35.45 C +ATOM 7195 C GLY C 101 -37.530 34.127 11.691 1.00 34.05 C +ATOM 7196 O GLY C 101 -38.006 34.709 12.669 1.00 37.80 O +ATOM 7197 H GLY C 101 -37.158 36.820 11.160 1.00 15.00 H +ATOM 7198 N THR C 102 -37.791 32.861 11.392 1.00 31.71 N +ATOM 7199 CA THR C 102 -38.670 32.046 12.218 1.00 32.23 C +ATOM 7200 C THR C 102 -38.279 30.590 12.039 1.00 33.30 C +ATOM 7201 O THR C 102 -38.340 30.064 10.934 1.00 31.48 O +ATOM 7202 CB THR C 102 -40.139 32.237 11.809 1.00 29.19 C +ATOM 7203 OG1 THR C 102 -40.490 33.621 11.928 1.00 33.96 O +ATOM 7204 CG2 THR C 102 -41.055 31.414 12.687 1.00 33.39 C +ATOM 7205 H THR C 102 -37.410 32.470 10.587 1.00 15.00 H +ATOM 7206 HG1 THR C 102 -40.151 33.963 12.769 1.00 15.00 H +ATOM 7207 N LYS C 103 -37.784 29.967 13.100 1.00 39.11 N +ATOM 7208 CA LYS C 103 -37.398 28.569 13.006 1.00 42.63 C +ATOM 7209 C LYS C 103 -38.682 27.768 13.090 1.00 40.58 C +ATOM 7210 O LYS C 103 -39.662 28.235 13.665 1.00 35.77 O +ATOM 7211 CB LYS C 103 -36.437 28.189 14.139 1.00 46.90 C +ATOM 7212 CG LYS C 103 -36.001 26.715 14.148 1.00 61.79 C +ATOM 7213 CD LYS C 103 -35.169 26.339 12.927 1.00 69.49 C +ATOM 7214 CE LYS C 103 -34.913 24.831 12.842 1.00 77.45 C +ATOM 7215 NZ LYS C 103 -34.107 24.298 13.979 1.00 82.71 N +ATOM 7216 H LYS C 103 -37.706 30.442 13.953 1.00 15.00 H +ATOM 7217 HZ1 LYS C 103 -33.192 24.791 14.015 1.00 15.00 H +ATOM 7218 HZ2 LYS C 103 -34.622 24.459 14.868 1.00 15.00 H +ATOM 7219 HZ3 LYS C 103 -33.943 23.279 13.851 1.00 15.00 H +ATOM 7220 N LEU C 104 -38.684 26.586 12.491 1.00 50.78 N +ATOM 7221 CA LEU C 104 -39.857 25.727 12.510 1.00 61.04 C +ATOM 7222 C LEU C 104 -39.520 24.290 12.913 1.00 69.49 C +ATOM 7223 O LEU C 104 -38.574 23.683 12.388 1.00 68.61 O +ATOM 7224 CB LEU C 104 -40.539 25.725 11.144 1.00 56.87 C +ATOM 7225 CG LEU C 104 -41.918 25.070 11.177 1.00 61.02 C +ATOM 7226 CD1 LEU C 104 -42.854 25.924 12.017 1.00 61.61 C +ATOM 7227 CD2 LEU C 104 -42.465 24.907 9.776 1.00 66.60 C +ATOM 7228 H LEU C 104 -37.895 26.271 12.005 1.00 15.00 H +ATOM 7229 N GLU C 105 -40.304 23.755 13.847 1.00 72.83 N +ATOM 7230 CA GLU C 105 -40.129 22.394 14.331 1.00 71.52 C +ATOM 7231 C GLU C 105 -41.468 21.678 14.294 1.00 69.68 C +ATOM 7232 O GLU C 105 -42.517 22.279 14.521 1.00 59.61 O +ATOM 7233 CB GLU C 105 -39.569 22.389 15.750 1.00 84.06 C +ATOM 7234 CG GLU C 105 -38.169 22.982 15.867 1.00 95.72 C +ATOM 7235 CD GLU C 105 -37.628 22.968 17.290 1.00103.64 C +ATOM 7236 OE1 GLU C 105 -38.306 22.421 18.195 1.00107.21 O +ATOM 7237 OE2 GLU C 105 -36.506 23.484 17.495 1.00103.48 O +ATOM 7238 H GLU C 105 -41.032 24.292 14.229 1.00 15.00 H +ATOM 7239 N ILE C 106 -41.407 20.377 14.046 1.00 74.88 N +ATOM 7240 CA ILE C 106 -42.579 19.516 13.932 1.00 83.91 C +ATOM 7241 C ILE C 106 -42.785 18.639 15.171 1.00 83.53 C +ATOM 7242 O ILE C 106 -42.038 17.683 15.395 1.00 90.41 O +ATOM 7243 CB ILE C 106 -42.445 18.595 12.685 1.00 86.30 C +ATOM 7244 CG1 ILE C 106 -42.587 19.418 11.402 1.00 88.05 C +ATOM 7245 CG2 ILE C 106 -43.459 17.452 12.738 1.00 95.65 C +ATOM 7246 CD1 ILE C 106 -42.500 18.597 10.128 1.00 87.56 C +ATOM 7247 H ILE C 106 -40.554 19.932 14.070 1.00 15.00 H +ATOM 7248 N LYS C 107 -43.822 18.939 15.946 1.00 77.15 N +ATOM 7249 CA LYS C 107 -44.121 18.166 17.144 1.00 68.84 C +ATOM 7250 C LYS C 107 -44.560 16.754 16.792 1.00 63.04 C +ATOM 7251 O LYS C 107 -45.726 16.516 16.482 1.00 66.32 O +ATOM 7252 CB LYS C 107 -45.198 18.860 17.985 1.00 73.06 C +ATOM 7253 CG LYS C 107 -44.713 20.127 18.676 1.00 84.73 C +ATOM 7254 CD LYS C 107 -45.780 20.770 19.571 1.00 97.60 C +ATOM 7255 CE LYS C 107 -46.902 21.432 18.765 1.00106.74 C +ATOM 7256 NZ LYS C 107 -47.784 22.333 19.581 1.00107.34 N +ATOM 7257 H LYS C 107 -44.390 19.692 15.689 1.00 15.00 H +ATOM 7258 HZ1 LYS C 107 -47.211 23.090 20.005 1.00 15.00 H +ATOM 7259 HZ2 LYS C 107 -48.525 22.750 18.984 1.00 15.00 H +ATOM 7260 HZ3 LYS C 107 -48.227 21.775 20.341 1.00 15.00 H +ATOM 7261 N ARG C 108 -43.604 15.835 16.760 1.00 53.10 N +ATOM 7262 CA ARG C 108 -43.906 14.449 16.467 1.00 48.75 C +ATOM 7263 C ARG C 108 -43.785 13.593 17.733 1.00 54.36 C +ATOM 7264 O ARG C 108 -43.453 14.101 18.808 1.00 57.79 O +ATOM 7265 CB ARG C 108 -43.059 13.921 15.316 1.00 38.34 C +ATOM 7266 CG ARG C 108 -41.586 14.077 15.506 1.00 43.23 C +ATOM 7267 CD ARG C 108 -40.878 12.839 15.047 1.00 35.02 C +ATOM 7268 NE ARG C 108 -41.208 11.714 15.908 1.00 43.90 N +ATOM 7269 CZ ARG C 108 -40.766 10.472 15.726 1.00 52.66 C +ATOM 7270 NH1 ARG C 108 -39.994 10.182 14.683 1.00 40.64 N +ATOM 7271 NH2 ARG C 108 -41.116 9.510 16.576 1.00 53.70 N +ATOM 7272 H ARG C 108 -42.679 16.107 16.943 1.00 15.00 H +ATOM 7273 HE ARG C 108 -41.807 11.884 16.660 1.00 15.00 H +ATOM 7274 HH11 ARG C 108 -39.743 10.892 14.026 1.00 15.00 H +ATOM 7275 HH12 ARG C 108 -39.671 9.244 14.553 1.00 15.00 H +ATOM 7276 HH21 ARG C 108 -41.711 9.722 17.350 1.00 15.00 H +ATOM 7277 HH22 ARG C 108 -40.788 8.575 16.441 1.00 15.00 H +ATOM 7278 N ALA C 109 -44.141 12.318 17.625 1.00 59.98 N +ATOM 7279 CA ALA C 109 -44.106 11.407 18.769 1.00 64.85 C +ATOM 7280 C ALA C 109 -42.698 11.306 19.316 1.00 65.16 C +ATOM 7281 O ALA C 109 -41.740 11.366 18.553 1.00 68.61 O +ATOM 7282 CB ALA C 109 -44.604 10.028 18.358 1.00 67.04 C +ATOM 7283 H ALA C 109 -44.408 11.976 16.753 1.00 15.00 H +ATOM 7284 N ASP C 110 -42.575 11.153 20.631 1.00 60.33 N +ATOM 7285 CA ASP C 110 -41.264 11.039 21.270 1.00 53.94 C +ATOM 7286 C ASP C 110 -40.498 9.853 20.685 1.00 48.00 C +ATOM 7287 O ASP C 110 -41.106 8.880 20.231 1.00 42.76 O +ATOM 7288 CB ASP C 110 -41.419 10.852 22.784 1.00 55.51 C +ATOM 7289 CG ASP C 110 -42.384 11.849 23.409 1.00 57.41 C +ATOM 7290 OD1 ASP C 110 -42.498 12.994 22.914 1.00 56.90 O +ATOM 7291 OD2 ASP C 110 -43.037 11.476 24.405 1.00 60.84 O +ATOM 7292 H ASP C 110 -43.379 11.105 21.176 1.00 15.00 H +ATOM 7293 N ALA C 111 -39.171 9.939 20.697 1.00 49.95 N +ATOM 7294 CA ALA C 111 -38.323 8.876 20.155 1.00 55.47 C +ATOM 7295 C ALA C 111 -37.072 8.680 21.000 1.00 56.62 C +ATOM 7296 O ALA C 111 -36.470 9.646 21.479 1.00 58.06 O +ATOM 7297 CB ALA C 111 -37.934 9.190 18.713 1.00 56.70 C +ATOM 7298 H ALA C 111 -38.745 10.739 21.076 1.00 15.00 H +ATOM 7299 N ALA C 112 -36.675 7.423 21.157 1.00 55.14 N +ATOM 7300 CA ALA C 112 -35.510 7.065 21.952 1.00 52.84 C +ATOM 7301 C ALA C 112 -34.178 7.190 21.210 1.00 48.47 C +ATOM 7302 O ALA C 112 -33.937 6.515 20.199 1.00 52.01 O +ATOM 7303 CB ALA C 112 -35.678 5.651 22.498 1.00 58.67 C +ATOM 7304 H ALA C 112 -37.159 6.712 20.694 1.00 15.00 H +ATOM 7305 N PRO C 113 -33.280 8.033 21.736 1.00 39.77 N +ATOM 7306 CA PRO C 113 -31.952 8.284 21.175 1.00 37.57 C +ATOM 7307 C PRO C 113 -31.082 7.046 21.148 1.00 35.02 C +ATOM 7308 O PRO C 113 -30.889 6.396 22.168 1.00 38.22 O +ATOM 7309 CB PRO C 113 -31.364 9.318 22.139 1.00 35.22 C +ATOM 7310 CG PRO C 113 -32.063 9.038 23.430 1.00 34.01 C +ATOM 7311 CD PRO C 113 -33.479 8.812 22.970 1.00 36.38 C +ATOM 7312 N THR C 114 -30.556 6.720 19.980 1.00 39.11 N +ATOM 7313 CA THR C 114 -29.670 5.580 19.850 1.00 36.89 C +ATOM 7314 C THR C 114 -28.256 6.126 20.125 1.00 38.54 C +ATOM 7315 O THR C 114 -27.725 6.915 19.336 1.00 48.36 O +ATOM 7316 CB THR C 114 -29.799 4.984 18.443 1.00 38.91 C +ATOM 7317 OG1 THR C 114 -31.175 4.649 18.202 1.00 48.67 O +ATOM 7318 CG2 THR C 114 -28.937 3.738 18.294 1.00 45.86 C +ATOM 7319 H THR C 114 -30.767 7.282 19.205 1.00 15.00 H +ATOM 7320 HG1 THR C 114 -31.772 5.361 18.472 1.00 15.00 H +ATOM 7321 N VAL C 115 -27.692 5.785 21.284 1.00 32.84 N +ATOM 7322 CA VAL C 115 -26.356 6.261 21.661 1.00 36.58 C +ATOM 7323 C VAL C 115 -25.218 5.346 21.192 1.00 41.16 C +ATOM 7324 O VAL C 115 -25.417 4.150 20.962 1.00 46.40 O +ATOM 7325 CB VAL C 115 -26.234 6.463 23.193 1.00 35.11 C +ATOM 7326 CG1 VAL C 115 -27.390 7.294 23.717 1.00 24.28 C +ATOM 7327 CG2 VAL C 115 -26.190 5.131 23.904 1.00 46.52 C +ATOM 7328 H VAL C 115 -28.180 5.192 21.891 1.00 15.00 H +ATOM 7329 N SER C 116 -24.023 5.909 21.061 1.00 40.77 N +ATOM 7330 CA SER C 116 -22.874 5.134 20.619 1.00 43.17 C +ATOM 7331 C SER C 116 -21.573 5.825 21.005 1.00 43.75 C +ATOM 7332 O SER C 116 -21.348 6.991 20.672 1.00 39.65 O +ATOM 7333 CB SER C 116 -22.948 4.904 19.109 1.00 45.08 C +ATOM 7334 OG SER C 116 -23.644 5.961 18.467 1.00 39.25 O +ATOM 7335 H SER C 116 -23.902 6.869 21.225 1.00 15.00 H +ATOM 7336 HG SER C 116 -24.528 6.078 18.831 1.00 15.00 H +ATOM 7337 N ILE C 117 -20.742 5.109 21.757 1.00 42.88 N +ATOM 7338 CA ILE C 117 -19.463 5.633 22.224 1.00 35.27 C +ATOM 7339 C ILE C 117 -18.374 5.156 21.289 1.00 33.94 C +ATOM 7340 O ILE C 117 -18.439 4.037 20.758 1.00 22.37 O +ATOM 7341 CB ILE C 117 -19.117 5.125 23.640 1.00 32.11 C +ATOM 7342 CG1 ILE C 117 -17.830 5.768 24.159 1.00 27.73 C +ATOM 7343 CG2 ILE C 117 -18.928 3.635 23.620 1.00 39.08 C +ATOM 7344 CD1 ILE C 117 -18.062 7.020 24.929 1.00 27.55 C +ATOM 7345 H ILE C 117 -20.969 4.183 21.978 1.00 15.00 H +ATOM 7346 N PHE C 118 -17.371 6.009 21.115 1.00 33.12 N +ATOM 7347 CA PHE C 118 -16.249 5.719 20.252 1.00 33.42 C +ATOM 7348 C PHE C 118 -14.963 6.114 20.934 1.00 38.70 C +ATOM 7349 O PHE C 118 -14.774 7.279 21.297 1.00 40.24 O +ATOM 7350 CB PHE C 118 -16.378 6.480 18.933 1.00 34.99 C +ATOM 7351 CG PHE C 118 -17.489 5.981 18.053 1.00 37.88 C +ATOM 7352 CD1 PHE C 118 -18.794 6.415 18.244 1.00 37.76 C +ATOM 7353 CD2 PHE C 118 -17.235 5.043 17.059 1.00 35.40 C +ATOM 7354 CE1 PHE C 118 -19.829 5.919 17.468 1.00 31.84 C +ATOM 7355 CE2 PHE C 118 -18.264 4.543 16.281 1.00 29.60 C +ATOM 7356 CZ PHE C 118 -19.566 4.983 16.488 1.00 36.86 C +ATOM 7357 H PHE C 118 -17.379 6.872 21.574 1.00 15.00 H +ATOM 7358 N PRO C 119 -14.104 5.127 21.216 1.00 44.52 N +ATOM 7359 CA PRO C 119 -12.810 5.346 21.864 1.00 45.41 C +ATOM 7360 C PRO C 119 -11.921 6.010 20.819 1.00 44.87 C +ATOM 7361 O PRO C 119 -12.163 5.870 19.619 1.00 46.15 O +ATOM 7362 CB PRO C 119 -12.330 3.925 22.152 1.00 41.67 C +ATOM 7363 CG PRO C 119 -13.585 3.139 22.224 1.00 48.70 C +ATOM 7364 CD PRO C 119 -14.368 3.690 21.077 1.00 46.22 C +ATOM 7365 N PRO C 120 -10.893 6.750 21.257 1.00 43.02 N +ATOM 7366 CA PRO C 120 -9.967 7.439 20.353 1.00 43.68 C +ATOM 7367 C PRO C 120 -9.428 6.490 19.304 1.00 44.22 C +ATOM 7368 O PRO C 120 -9.377 5.287 19.532 1.00 50.88 O +ATOM 7369 CB PRO C 120 -8.847 7.868 21.293 1.00 31.10 C +ATOM 7370 CG PRO C 120 -9.578 8.162 22.542 1.00 37.73 C +ATOM 7371 CD PRO C 120 -10.526 6.996 22.660 1.00 39.73 C +ATOM 7372 N SER C 121 -9.027 7.016 18.155 1.00 43.20 N +ATOM 7373 CA SER C 121 -8.480 6.156 17.115 1.00 42.85 C +ATOM 7374 C SER C 121 -6.995 5.993 17.384 1.00 43.85 C +ATOM 7375 O SER C 121 -6.344 6.923 17.855 1.00 42.84 O +ATOM 7376 CB SER C 121 -8.680 6.778 15.738 1.00 40.62 C +ATOM 7377 OG SER C 121 -7.947 7.986 15.627 1.00 37.66 O +ATOM 7378 H SER C 121 -9.105 7.968 17.983 1.00 15.00 H +ATOM 7379 HG SER C 121 -8.158 8.349 14.758 1.00 15.00 H +ATOM 7380 N SER C 122 -6.451 4.823 17.075 1.00 50.56 N +ATOM 7381 CA SER C 122 -5.026 4.579 17.278 1.00 54.70 C +ATOM 7382 C SER C 122 -4.255 5.641 16.514 1.00 54.28 C +ATOM 7383 O SER C 122 -3.215 6.117 16.964 1.00 54.46 O +ATOM 7384 CB SER C 122 -4.630 3.192 16.765 1.00 56.34 C +ATOM 7385 OG SER C 122 -4.901 3.059 15.377 1.00 66.44 O +ATOM 7386 H SER C 122 -7.003 4.103 16.707 1.00 15.00 H +ATOM 7387 HG SER C 122 -4.569 2.208 15.064 1.00 15.00 H +ATOM 7388 N GLU C 123 -4.812 6.035 15.375 1.00 57.43 N +ATOM 7389 CA GLU C 123 -4.214 7.047 14.517 1.00 62.98 C +ATOM 7390 C GLU C 123 -4.069 8.368 15.270 1.00 59.24 C +ATOM 7391 O GLU C 123 -3.056 9.058 15.152 1.00 60.81 O +ATOM 7392 CB GLU C 123 -5.083 7.236 13.270 1.00 73.41 C +ATOM 7393 CG GLU C 123 -5.497 5.911 12.605 1.00 91.79 C +ATOM 7394 CD GLU C 123 -6.129 6.077 11.221 1.00103.34 C +ATOM 7395 OE1 GLU C 123 -6.134 7.208 10.683 1.00108.98 O +ATOM 7396 OE2 GLU C 123 -6.615 5.065 10.663 1.00107.98 O +ATOM 7397 H GLU C 123 -5.632 5.582 15.105 1.00 15.00 H +ATOM 7398 N GLN C 124 -5.072 8.691 16.078 1.00 54.49 N +ATOM 7399 CA GLN C 124 -5.070 9.920 16.858 1.00 42.76 C +ATOM 7400 C GLN C 124 -4.096 9.811 18.014 1.00 48.33 C +ATOM 7401 O GLN C 124 -3.330 10.737 18.264 1.00 49.41 O +ATOM 7402 CB GLN C 124 -6.467 10.187 17.387 1.00 26.80 C +ATOM 7403 CG GLN C 124 -6.622 11.462 18.158 1.00 10.91 C +ATOM 7404 CD GLN C 124 -8.042 11.650 18.644 1.00 26.91 C +ATOM 7405 OE1 GLN C 124 -8.400 12.717 19.143 1.00 29.35 O +ATOM 7406 NE2 GLN C 124 -8.863 10.603 18.521 1.00 33.85 N +ATOM 7407 H GLN C 124 -5.838 8.087 16.172 1.00 15.00 H +ATOM 7408 HE21 GLN C 124 -9.790 10.754 18.799 1.00 15.00 H +ATOM 7409 HE22 GLN C 124 -8.562 9.750 18.163 1.00 15.00 H +ATOM 7410 N LEU C 125 -4.119 8.672 18.705 1.00 54.47 N +ATOM 7411 CA LEU C 125 -3.233 8.433 19.850 1.00 54.11 C +ATOM 7412 C LEU C 125 -1.805 8.725 19.434 1.00 51.38 C +ATOM 7413 O LEU C 125 -1.116 9.523 20.065 1.00 48.78 O +ATOM 7414 CB LEU C 125 -3.353 6.988 20.331 1.00 58.53 C +ATOM 7415 CG LEU C 125 -4.751 6.585 20.814 1.00 67.46 C +ATOM 7416 CD1 LEU C 125 -4.790 5.095 21.153 1.00 72.45 C +ATOM 7417 CD2 LEU C 125 -5.156 7.433 22.016 1.00 65.22 C +ATOM 7418 H LEU C 125 -4.760 7.980 18.435 1.00 15.00 H +ATOM 7419 N THR C 126 -1.398 8.118 18.327 1.00 46.98 N +ATOM 7420 CA THR C 126 -0.070 8.318 17.769 1.00 50.26 C +ATOM 7421 C THR C 126 0.245 9.809 17.729 1.00 53.71 C +ATOM 7422 O THR C 126 1.345 10.232 18.063 1.00 56.46 O +ATOM 7423 CB THR C 126 -0.034 7.806 16.326 1.00 51.85 C +ATOM 7424 OG1 THR C 126 -0.451 6.435 16.300 1.00 54.94 O +ATOM 7425 CG2 THR C 126 1.364 7.947 15.724 1.00 54.29 C +ATOM 7426 H THR C 126 -2.010 7.505 17.870 1.00 15.00 H +ATOM 7427 HG1 THR C 126 -1.377 6.344 16.541 1.00 15.00 H +ATOM 7428 N SER C 127 -0.758 10.596 17.359 1.00 58.39 N +ATOM 7429 CA SER C 127 -0.630 12.041 17.248 1.00 60.62 C +ATOM 7430 C SER C 127 -0.379 12.756 18.580 1.00 59.89 C +ATOM 7431 O SER C 127 0.303 13.778 18.610 1.00 64.55 O +ATOM 7432 CB SER C 127 -1.878 12.606 16.567 1.00 65.88 C +ATOM 7433 OG SER C 127 -2.220 11.841 15.415 1.00 75.24 O +ATOM 7434 H SER C 127 -1.631 10.207 17.174 1.00 15.00 H +ATOM 7435 HG SER C 127 -2.407 10.914 15.603 1.00 15.00 H +ATOM 7436 N GLY C 128 -0.957 12.251 19.667 1.00 54.80 N +ATOM 7437 CA GLY C 128 -0.750 12.877 20.962 1.00 46.51 C +ATOM 7438 C GLY C 128 -1.979 13.427 21.674 1.00 48.87 C +ATOM 7439 O GLY C 128 -1.856 14.155 22.665 1.00 53.48 O +ATOM 7440 H GLY C 128 -1.509 11.442 19.588 1.00 15.00 H +ATOM 7441 N GLY C 129 -3.167 13.059 21.208 1.00 45.34 N +ATOM 7442 CA GLY C 129 -4.388 13.538 21.837 1.00 37.23 C +ATOM 7443 C GLY C 129 -5.426 12.437 21.853 1.00 32.76 C +ATOM 7444 O GLY C 129 -5.250 11.413 21.184 1.00 25.46 O +ATOM 7445 H GLY C 129 -3.251 12.446 20.446 1.00 15.00 H +ATOM 7446 N ALA C 130 -6.522 12.643 22.576 1.00 23.41 N +ATOM 7447 CA ALA C 130 -7.561 11.629 22.657 1.00 18.11 C +ATOM 7448 C ALA C 130 -8.932 12.250 22.633 1.00 26.87 C +ATOM 7449 O ALA C 130 -9.227 13.143 23.417 1.00 32.41 O +ATOM 7450 CB ALA C 130 -7.402 10.822 23.909 1.00 31.34 C +ATOM 7451 H ALA C 130 -6.669 13.499 23.011 1.00 15.00 H +ATOM 7452 N SER C 131 -9.783 11.768 21.740 1.00 25.25 N +ATOM 7453 CA SER C 131 -11.128 12.288 21.647 1.00 23.45 C +ATOM 7454 C SER C 131 -12.074 11.127 21.727 1.00 24.80 C +ATOM 7455 O SER C 131 -11.982 10.195 20.927 1.00 26.39 O +ATOM 7456 CB SER C 131 -11.334 13.007 20.320 1.00 22.38 C +ATOM 7457 OG SER C 131 -10.467 14.114 20.199 1.00 21.09 O +ATOM 7458 H SER C 131 -9.509 11.066 21.124 1.00 15.00 H +ATOM 7459 HG SER C 131 -9.565 13.792 20.085 1.00 15.00 H +ATOM 7460 N VAL C 132 -12.909 11.128 22.755 1.00 22.97 N +ATOM 7461 CA VAL C 132 -13.892 10.070 22.909 1.00 26.66 C +ATOM 7462 C VAL C 132 -15.148 10.719 22.389 1.00 29.42 C +ATOM 7463 O VAL C 132 -15.533 11.805 22.840 1.00 30.06 O +ATOM 7464 CB VAL C 132 -14.108 9.653 24.375 1.00 23.81 C +ATOM 7465 CG1 VAL C 132 -14.867 8.332 24.432 1.00 11.85 C +ATOM 7466 CG2 VAL C 132 -12.792 9.538 25.095 1.00 21.31 C +ATOM 7467 H VAL C 132 -12.901 11.848 23.409 1.00 15.00 H +ATOM 7468 N VAL C 133 -15.772 10.069 21.424 1.00 32.73 N +ATOM 7469 CA VAL C 133 -16.956 10.620 20.811 1.00 35.74 C +ATOM 7470 C VAL C 133 -18.162 9.798 21.141 1.00 34.85 C +ATOM 7471 O VAL C 133 -18.111 8.572 21.166 1.00 35.19 O +ATOM 7472 CB VAL C 133 -16.819 10.625 19.294 1.00 46.47 C +ATOM 7473 CG1 VAL C 133 -17.850 11.551 18.684 1.00 55.11 C +ATOM 7474 CG2 VAL C 133 -15.411 11.021 18.893 1.00 52.06 C +ATOM 7475 H VAL C 133 -15.435 9.193 21.139 1.00 15.00 H +ATOM 7476 N CYS C 134 -19.274 10.479 21.315 1.00 34.90 N +ATOM 7477 CA CYS C 134 -20.501 9.800 21.634 1.00 38.25 C +ATOM 7478 C CYS C 134 -21.607 10.350 20.735 1.00 38.15 C +ATOM 7479 O CYS C 134 -21.806 11.568 20.668 1.00 44.69 O +ATOM 7480 CB CYS C 134 -20.812 10.036 23.106 1.00 37.21 C +ATOM 7481 SG CYS C 134 -22.186 9.035 23.733 1.00 38.37 S +ATOM 7482 H CYS C 134 -19.292 11.457 21.253 1.00 15.00 H +ATOM 7483 N PHE C 135 -22.293 9.464 20.013 1.00 28.11 N +ATOM 7484 CA PHE C 135 -23.365 9.875 19.111 1.00 19.17 C +ATOM 7485 C PHE C 135 -24.758 9.555 19.618 1.00 20.22 C +ATOM 7486 O PHE C 135 -25.149 8.394 19.685 1.00 23.91 O +ATOM 7487 CB PHE C 135 -23.208 9.219 17.736 1.00 11.84 C +ATOM 7488 CG PHE C 135 -21.990 9.650 16.988 1.00 16.53 C +ATOM 7489 CD1 PHE C 135 -21.725 10.996 16.770 1.00 15.48 C +ATOM 7490 CD2 PHE C 135 -21.082 8.713 16.531 1.00 20.78 C +ATOM 7491 CE1 PHE C 135 -20.572 11.397 16.113 1.00 21.11 C +ATOM 7492 CE2 PHE C 135 -19.920 9.107 15.870 1.00 30.83 C +ATOM 7493 CZ PHE C 135 -19.664 10.450 15.663 1.00 22.34 C +ATOM 7494 H PHE C 135 -22.079 8.517 20.059 1.00 15.00 H +ATOM 7495 N LEU C 136 -25.526 10.582 19.936 1.00 13.57 N +ATOM 7496 CA LEU C 136 -26.885 10.377 20.392 1.00 24.45 C +ATOM 7497 C LEU C 136 -27.818 10.651 19.200 1.00 33.20 C +ATOM 7498 O LEU C 136 -28.391 11.736 19.078 1.00 39.91 O +ATOM 7499 CB LEU C 136 -27.190 11.304 21.560 1.00 30.98 C +ATOM 7500 CG LEU C 136 -26.265 11.161 22.773 1.00 43.50 C +ATOM 7501 CD1 LEU C 136 -24.832 11.606 22.455 1.00 42.82 C +ATOM 7502 CD2 LEU C 136 -26.829 11.996 23.908 1.00 49.51 C +ATOM 7503 H LEU C 136 -25.180 11.490 19.816 1.00 15.00 H +ATOM 7504 N ASN C 137 -27.945 9.662 18.317 1.00 30.30 N +ATOM 7505 CA ASN C 137 -28.763 9.768 17.112 1.00 28.13 C +ATOM 7506 C ASN C 137 -30.279 9.789 17.278 1.00 39.07 C +ATOM 7507 O ASN C 137 -30.818 9.515 18.349 1.00 36.23 O +ATOM 7508 CB ASN C 137 -28.424 8.633 16.154 1.00 32.57 C +ATOM 7509 CG ASN C 137 -26.997 8.696 15.649 1.00 45.41 C +ATOM 7510 OD1 ASN C 137 -26.394 9.769 15.583 1.00 46.36 O +ATOM 7511 ND2 ASN C 137 -26.454 7.541 15.266 1.00 47.98 N +ATOM 7512 H ASN C 137 -27.467 8.828 18.520 1.00 15.00 H +ATOM 7513 HD21 ASN C 137 -25.528 7.562 14.945 1.00 15.00 H +ATOM 7514 HD22 ASN C 137 -26.986 6.725 15.328 1.00 15.00 H +ATOM 7515 N ASN C 138 -30.936 10.067 16.151 1.00 46.14 N +ATOM 7516 CA ASN C 138 -32.391 10.152 15.976 1.00 42.63 C +ATOM 7517 C ASN C 138 -33.253 10.144 17.214 1.00 37.77 C +ATOM 7518 O ASN C 138 -33.654 9.087 17.682 1.00 48.15 O +ATOM 7519 CB ASN C 138 -32.880 9.073 15.010 1.00 45.00 C +ATOM 7520 CG ASN C 138 -32.064 9.024 13.741 1.00 52.35 C +ATOM 7521 OD1 ASN C 138 -31.921 10.029 13.037 1.00 58.64 O +ATOM 7522 ND2 ASN C 138 -31.487 7.863 13.457 1.00 52.63 N +ATOM 7523 H ASN C 138 -30.382 10.287 15.379 1.00 15.00 H +ATOM 7524 HD21 ASN C 138 -30.972 7.772 12.632 1.00 15.00 H +ATOM 7525 HD22 ASN C 138 -31.622 7.125 14.091 1.00 15.00 H +ATOM 7526 N PHE C 139 -33.590 11.332 17.701 1.00 30.67 N +ATOM 7527 CA PHE C 139 -34.422 11.456 18.883 1.00 26.28 C +ATOM 7528 C PHE C 139 -35.269 12.713 18.879 1.00 24.31 C +ATOM 7529 O PHE C 139 -34.985 13.646 18.140 1.00 30.30 O +ATOM 7530 CB PHE C 139 -33.551 11.428 20.142 1.00 21.08 C +ATOM 7531 CG PHE C 139 -32.623 12.612 20.294 1.00 20.49 C +ATOM 7532 CD1 PHE C 139 -33.038 13.755 20.990 1.00 21.12 C +ATOM 7533 CD2 PHE C 139 -31.297 12.537 19.862 1.00 22.01 C +ATOM 7534 CE1 PHE C 139 -32.141 14.800 21.264 1.00 20.56 C +ATOM 7535 CE2 PHE C 139 -30.387 13.575 20.133 1.00 21.05 C +ATOM 7536 CZ PHE C 139 -30.810 14.704 20.836 1.00 23.71 C +ATOM 7537 H PHE C 139 -33.248 12.146 17.279 1.00 15.00 H +ATOM 7538 N TYR C 140 -36.280 12.740 19.743 1.00 33.81 N +ATOM 7539 CA TYR C 140 -37.184 13.884 19.896 1.00 36.95 C +ATOM 7540 C TYR C 140 -37.848 13.726 21.255 1.00 35.29 C +ATOM 7541 O TYR C 140 -38.154 12.601 21.664 1.00 35.24 O +ATOM 7542 CB TYR C 140 -38.265 13.878 18.804 1.00 50.63 C +ATOM 7543 CG TYR C 140 -39.078 15.157 18.713 1.00 57.73 C +ATOM 7544 CD1 TYR C 140 -40.233 15.340 19.477 1.00 62.84 C +ATOM 7545 CD2 TYR C 140 -38.668 16.200 17.887 1.00 64.75 C +ATOM 7546 CE1 TYR C 140 -40.953 16.542 19.423 1.00 68.63 C +ATOM 7547 CE2 TYR C 140 -39.377 17.399 17.825 1.00 71.36 C +ATOM 7548 CZ TYR C 140 -40.514 17.566 18.595 1.00 70.38 C +ATOM 7549 OH TYR C 140 -41.186 18.767 18.541 1.00 77.19 O +ATOM 7550 H TYR C 140 -36.448 11.957 20.312 1.00 15.00 H +ATOM 7551 HH TYR C 140 -40.752 19.296 17.859 1.00 15.00 H +ATOM 7552 N PRO C 141 -38.047 14.830 21.996 1.00 41.05 N +ATOM 7553 CA PRO C 141 -37.713 16.231 21.708 1.00 51.37 C +ATOM 7554 C PRO C 141 -36.220 16.520 21.682 1.00 57.84 C +ATOM 7555 O PRO C 141 -35.401 15.643 21.953 1.00 59.85 O +ATOM 7556 CB PRO C 141 -38.371 16.986 22.867 1.00 47.76 C +ATOM 7557 CG PRO C 141 -39.530 16.125 23.208 1.00 50.75 C +ATOM 7558 CD PRO C 141 -38.916 14.754 23.182 1.00 44.52 C +ATOM 7559 N LYS C 142 -35.889 17.772 21.372 1.00 65.52 N +ATOM 7560 CA LYS C 142 -34.505 18.230 21.310 1.00 66.48 C +ATOM 7561 C LYS C 142 -33.888 18.249 22.700 1.00 61.87 C +ATOM 7562 O LYS C 142 -32.679 18.081 22.850 1.00 58.45 O +ATOM 7563 CB LYS C 142 -34.426 19.642 20.704 1.00 76.68 C +ATOM 7564 CG LYS C 142 -35.080 20.759 21.547 1.00 82.36 C +ATOM 7565 CD LYS C 142 -34.950 22.148 20.889 1.00 89.56 C +ATOM 7566 CE LYS C 142 -33.539 22.764 20.999 1.00 92.85 C +ATOM 7567 NZ LYS C 142 -33.337 23.644 22.199 1.00 84.87 N +ATOM 7568 H LYS C 142 -36.594 18.410 21.147 1.00 15.00 H +ATOM 7569 HZ1 LYS C 142 -33.490 23.097 23.070 1.00 15.00 H +ATOM 7570 HZ2 LYS C 142 -32.364 24.014 22.189 1.00 15.00 H +ATOM 7571 HZ3 LYS C 142 -34.007 24.439 22.161 1.00 15.00 H +ATOM 7572 N ASP C 143 -34.722 18.500 23.705 1.00 59.33 N +ATOM 7573 CA ASP C 143 -34.261 18.552 25.083 1.00 58.30 C +ATOM 7574 C ASP C 143 -33.669 17.221 25.506 1.00 54.09 C +ATOM 7575 O ASP C 143 -34.363 16.200 25.545 1.00 59.32 O +ATOM 7576 CB ASP C 143 -35.408 18.918 26.026 1.00 70.40 C +ATOM 7577 CG ASP C 143 -35.828 20.372 25.905 1.00 83.12 C +ATOM 7578 OD1 ASP C 143 -34.942 21.253 25.811 1.00 92.62 O +ATOM 7579 OD2 ASP C 143 -37.050 20.633 25.924 1.00 90.98 O +ATOM 7580 H ASP C 143 -35.669 18.626 23.524 1.00 15.00 H +ATOM 7581 N ILE C 144 -32.375 17.239 25.788 1.00 43.84 N +ATOM 7582 CA ILE C 144 -31.641 16.064 26.229 1.00 42.02 C +ATOM 7583 C ILE C 144 -30.381 16.611 26.884 1.00 54.38 C +ATOM 7584 O ILE C 144 -29.958 17.727 26.575 1.00 66.71 O +ATOM 7585 CB ILE C 144 -31.254 15.132 25.032 1.00 27.01 C +ATOM 7586 CG1 ILE C 144 -30.456 13.912 25.508 1.00 19.82 C +ATOM 7587 CG2 ILE C 144 -30.424 15.878 24.027 1.00 37.06 C +ATOM 7588 CD1 ILE C 144 -29.998 13.000 24.385 1.00 11.66 C +ATOM 7589 H ILE C 144 -31.858 18.066 25.685 1.00 15.00 H +ATOM 7590 N ASN C 145 -29.839 15.891 27.859 1.00 59.91 N +ATOM 7591 CA ASN C 145 -28.608 16.328 28.503 1.00 60.59 C +ATOM 7592 C ASN C 145 -27.691 15.136 28.616 1.00 56.43 C +ATOM 7593 O ASN C 145 -28.092 14.069 29.077 1.00 59.98 O +ATOM 7594 CB ASN C 145 -28.836 16.946 29.887 1.00 67.55 C +ATOM 7595 CG ASN C 145 -27.536 17.474 30.508 1.00 80.63 C +ATOM 7596 OD1 ASN C 145 -27.191 18.650 30.361 1.00 88.22 O +ATOM 7597 ND2 ASN C 145 -26.802 16.596 31.185 1.00 83.33 N +ATOM 7598 H ASN C 145 -30.264 15.048 28.135 1.00 15.00 H +ATOM 7599 HD21 ASN C 145 -25.962 16.938 31.554 1.00 15.00 H +ATOM 7600 HD22 ASN C 145 -27.107 15.672 31.279 1.00 15.00 H +ATOM 7601 N VAL C 146 -26.468 15.310 28.147 1.00 47.11 N +ATOM 7602 CA VAL C 146 -25.497 14.251 28.197 1.00 42.83 C +ATOM 7603 C VAL C 146 -24.399 14.731 29.121 1.00 50.91 C +ATOM 7604 O VAL C 146 -24.200 15.937 29.293 1.00 55.72 O +ATOM 7605 CB VAL C 146 -24.931 13.954 26.794 1.00 38.30 C +ATOM 7606 CG1 VAL C 146 -24.059 15.100 26.316 1.00 43.06 C +ATOM 7607 CG2 VAL C 146 -24.159 12.651 26.788 1.00 44.26 C +ATOM 7608 H VAL C 146 -26.181 16.185 27.809 1.00 15.00 H +ATOM 7609 N LYS C 147 -23.746 13.786 29.778 1.00 55.83 N +ATOM 7610 CA LYS C 147 -22.652 14.103 30.673 1.00 57.05 C +ATOM 7611 C LYS C 147 -21.666 12.948 30.655 1.00 52.33 C +ATOM 7612 O LYS C 147 -22.064 11.780 30.606 1.00 53.59 O +ATOM 7613 CB LYS C 147 -23.161 14.400 32.084 1.00 59.50 C +ATOM 7614 CG LYS C 147 -24.184 13.418 32.616 1.00 76.15 C +ATOM 7615 CD LYS C 147 -24.615 13.821 34.021 1.00 90.31 C +ATOM 7616 CE LYS C 147 -25.589 12.819 34.627 1.00 98.48 C +ATOM 7617 NZ LYS C 147 -25.865 13.093 36.071 1.00102.44 N +ATOM 7618 H LYS C 147 -23.999 12.841 29.670 1.00 15.00 H +ATOM 7619 HZ1 LYS C 147 -26.267 14.046 36.182 1.00 15.00 H +ATOM 7620 HZ2 LYS C 147 -26.533 12.388 36.439 1.00 15.00 H +ATOM 7621 HZ3 LYS C 147 -24.969 13.034 36.596 1.00 15.00 H +ATOM 7622 N TRP C 148 -20.386 13.293 30.556 1.00 39.59 N +ATOM 7623 CA TRP C 148 -19.327 12.302 30.530 1.00 35.34 C +ATOM 7624 C TRP C 148 -18.930 11.936 31.948 1.00 36.19 C +ATOM 7625 O TRP C 148 -19.134 12.714 32.875 1.00 31.76 O +ATOM 7626 CB TRP C 148 -18.114 12.830 29.753 1.00 34.20 C +ATOM 7627 CG TRP C 148 -18.367 12.892 28.283 1.00 34.35 C +ATOM 7628 CD1 TRP C 148 -19.163 13.786 27.632 1.00 36.20 C +ATOM 7629 CD2 TRP C 148 -17.925 11.956 27.294 1.00 34.84 C +ATOM 7630 NE1 TRP C 148 -19.260 13.459 26.307 1.00 29.55 N +ATOM 7631 CE2 TRP C 148 -18.510 12.338 26.067 1.00 35.11 C +ATOM 7632 CE3 TRP C 148 -17.100 10.821 27.326 1.00 31.73 C +ATOM 7633 CZ2 TRP C 148 -18.300 11.624 24.875 1.00 40.22 C +ATOM 7634 CZ3 TRP C 148 -16.893 10.111 26.149 1.00 28.04 C +ATOM 7635 CH2 TRP C 148 -17.492 10.517 24.935 1.00 35.70 C +ATOM 7636 H TRP C 148 -20.152 14.240 30.531 1.00 15.00 H +ATOM 7637 HE1 TRP C 148 -19.788 13.953 25.639 1.00 15.00 H +ATOM 7638 N LYS C 149 -18.411 10.727 32.116 1.00 38.92 N +ATOM 7639 CA LYS C 149 -17.960 10.242 33.410 1.00 34.35 C +ATOM 7640 C LYS C 149 -16.732 9.404 33.145 1.00 35.96 C +ATOM 7641 O LYS C 149 -16.757 8.538 32.270 1.00 39.07 O +ATOM 7642 CB LYS C 149 -19.043 9.395 34.082 1.00 32.90 C +ATOM 7643 CG LYS C 149 -20.218 10.204 34.594 1.00 39.90 C +ATOM 7644 CD LYS C 149 -21.249 9.371 35.343 1.00 36.25 C +ATOM 7645 CE LYS C 149 -22.284 10.293 36.012 1.00 49.45 C +ATOM 7646 NZ LYS C 149 -23.315 9.586 36.842 1.00 51.52 N +ATOM 7647 H LYS C 149 -18.335 10.118 31.351 1.00 15.00 H +ATOM 7648 HZ1 LYS C 149 -23.854 8.916 36.259 1.00 15.00 H +ATOM 7649 HZ2 LYS C 149 -22.846 9.074 37.617 1.00 15.00 H +ATOM 7650 HZ3 LYS C 149 -23.965 10.295 37.240 1.00 15.00 H +ATOM 7651 N ILE C 150 -15.635 9.713 33.831 1.00 44.57 N +ATOM 7652 CA ILE C 150 -14.406 8.949 33.652 1.00 48.62 C +ATOM 7653 C ILE C 150 -14.445 7.701 34.528 1.00 58.05 C +ATOM 7654 O ILE C 150 -15.328 6.856 34.365 1.00 64.30 O +ATOM 7655 CB ILE C 150 -13.159 9.783 33.945 1.00 42.62 C +ATOM 7656 CG1 ILE C 150 -13.212 11.077 33.139 1.00 45.99 C +ATOM 7657 CG2 ILE C 150 -11.916 9.028 33.500 1.00 41.79 C +ATOM 7658 CD1 ILE C 150 -13.223 10.859 31.641 1.00 37.22 C +ATOM 7659 H ILE C 150 -15.678 10.459 34.462 1.00 15.00 H +ATOM 7660 N ASP C 151 -13.526 7.571 35.475 1.00 65.32 N +ATOM 7661 CA ASP C 151 -13.552 6.383 36.302 1.00 72.80 C +ATOM 7662 C ASP C 151 -14.692 6.473 37.283 1.00 83.74 C +ATOM 7663 O ASP C 151 -15.027 7.559 37.764 1.00 74.43 O +ATOM 7664 CB ASP C 151 -12.215 6.141 36.997 1.00 59.92 C +ATOM 7665 CG ASP C 151 -11.232 5.402 36.109 1.00 54.82 C +ATOM 7666 OD1 ASP C 151 -11.638 4.415 35.455 1.00 37.42 O +ATOM 7667 OD2 ASP C 151 -10.055 5.807 36.065 1.00 59.27 O +ATOM 7668 H ASP C 151 -12.893 8.266 35.703 1.00 15.00 H +ATOM 7669 N GLY C 152 -15.327 5.329 37.515 1.00103.57 N +ATOM 7670 CA GLY C 152 -16.455 5.268 38.423 1.00126.25 C +ATOM 7671 C GLY C 152 -17.641 6.038 37.866 1.00138.59 C +ATOM 7672 O GLY C 152 -18.395 5.515 37.041 1.00143.11 O +ATOM 7673 H GLY C 152 -15.057 4.519 37.043 1.00 15.00 H +ATOM 7674 N SER C 153 -17.772 7.295 38.291 1.00145.76 N +ATOM 7675 CA SER C 153 -18.860 8.171 37.859 1.00149.26 C +ATOM 7676 C SER C 153 -18.490 9.649 38.076 1.00149.12 C +ATOM 7677 O SER C 153 -19.303 10.445 38.555 1.00151.19 O +ATOM 7678 CB SER C 153 -20.158 7.831 38.617 1.00152.05 C +ATOM 7679 OG SER C 153 -20.607 6.507 38.349 1.00151.17 O +ATOM 7680 H SER C 153 -17.094 7.646 38.902 1.00 15.00 H +ATOM 7681 HG SER C 153 -21.447 6.344 38.781 1.00 15.00 H +ATOM 7682 N GLU C 154 -17.265 10.012 37.709 1.00147.07 N +ATOM 7683 CA GLU C 154 -16.798 11.384 37.870 1.00145.39 C +ATOM 7684 C GLU C 154 -17.101 12.200 36.618 1.00139.79 C +ATOM 7685 O GLU C 154 -16.639 11.852 35.532 1.00138.15 O +ATOM 7686 CB GLU C 154 -15.292 11.388 38.137 1.00153.52 C +ATOM 7687 CG GLU C 154 -14.851 12.377 39.206 1.00165.24 C +ATOM 7688 CD GLU C 154 -15.269 13.802 38.901 1.00172.77 C +ATOM 7689 OE1 GLU C 154 -14.579 14.464 38.098 1.00177.90 O +ATOM 7690 OE2 GLU C 154 -16.289 14.257 39.463 1.00176.06 O +ATOM 7691 H GLU C 154 -16.671 9.345 37.304 1.00 15.00 H +ATOM 7692 N ARG C 155 -17.870 13.278 36.765 1.00133.76 N +ATOM 7693 CA ARG C 155 -18.218 14.124 35.621 1.00131.64 C +ATOM 7694 C ARG C 155 -17.085 15.083 35.219 1.00122.73 C +ATOM 7695 O ARG C 155 -16.232 15.420 36.042 1.00121.28 O +ATOM 7696 CB ARG C 155 -19.511 14.910 35.883 1.00140.88 C +ATOM 7697 CG ARG C 155 -19.366 16.082 36.845 1.00156.56 C +ATOM 7698 CD ARG C 155 -20.482 17.115 36.653 1.00168.09 C +ATOM 7699 NE ARG C 155 -20.427 17.785 35.349 1.00177.63 N +ATOM 7700 CZ ARG C 155 -19.751 18.906 35.099 1.00180.00 C +ATOM 7701 NH1 ARG C 155 -19.057 19.505 36.059 1.00181.86 N +ATOM 7702 NH2 ARG C 155 -19.777 19.439 33.882 1.00180.82 N +ATOM 7703 H ARG C 155 -18.198 13.514 37.653 1.00 15.00 H +ATOM 7704 HE ARG C 155 -20.926 17.382 34.608 1.00 15.00 H +ATOM 7705 HH11 ARG C 155 -19.033 19.123 36.982 1.00 15.00 H +ATOM 7706 HH12 ARG C 155 -18.555 20.346 35.858 1.00 15.00 H +ATOM 7707 HH21 ARG C 155 -20.304 19.003 33.154 1.00 15.00 H +ATOM 7708 HH22 ARG C 155 -19.270 20.283 33.698 1.00 15.00 H +ATOM 7709 N GLN C 156 -17.098 15.535 33.963 1.00110.42 N +ATOM 7710 CA GLN C 156 -16.075 16.445 33.433 1.00 96.06 C +ATOM 7711 C GLN C 156 -16.663 17.718 32.801 1.00 87.76 C +ATOM 7712 O GLN C 156 -17.882 17.851 32.682 1.00 82.52 O +ATOM 7713 CB GLN C 156 -15.217 15.709 32.395 1.00 93.69 C +ATOM 7714 CG GLN C 156 -13.812 15.327 32.866 1.00 97.41 C +ATOM 7715 CD GLN C 156 -12.860 16.516 32.970 1.00 98.89 C +ATOM 7716 OE1 GLN C 156 -13.213 17.566 33.512 1.00102.25 O +ATOM 7717 NE2 GLN C 156 -11.648 16.355 32.445 1.00 90.95 N +ATOM 7718 H GLN C 156 -17.843 15.278 33.385 1.00 15.00 H +ATOM 7719 HE21 GLN C 156 -11.036 17.119 32.515 1.00 15.00 H +ATOM 7720 HE22 GLN C 156 -11.420 15.505 32.023 1.00 15.00 H +ATOM 7721 N ASN C 157 -15.791 18.638 32.379 1.00 78.10 N +ATOM 7722 CA ASN C 157 -16.233 19.888 31.756 1.00 65.68 C +ATOM 7723 C ASN C 157 -15.695 20.202 30.345 1.00 65.67 C +ATOM 7724 O ASN C 157 -16.254 21.063 29.663 1.00 72.24 O +ATOM 7725 CB ASN C 157 -15.983 21.090 32.688 1.00 58.80 C +ATOM 7726 CG ASN C 157 -14.530 21.575 32.673 1.00 50.85 C +ATOM 7727 OD1 ASN C 157 -13.668 20.983 32.026 1.00 54.26 O +ATOM 7728 ND2 ASN C 157 -14.256 22.650 33.406 1.00 37.41 N +ATOM 7729 H ASN C 157 -14.830 18.494 32.543 1.00 15.00 H +ATOM 7730 HD21 ASN C 157 -13.326 22.955 33.395 1.00 15.00 H +ATOM 7731 HD22 ASN C 157 -14.967 23.065 33.926 1.00 15.00 H +ATOM 7732 N GLY C 158 -14.645 19.510 29.894 1.00 56.07 N +ATOM 7733 CA GLY C 158 -14.089 19.782 28.565 1.00 45.73 C +ATOM 7734 C GLY C 158 -14.856 19.216 27.370 1.00 37.49 C +ATOM 7735 O GLY C 158 -14.271 18.861 26.338 1.00 17.44 O +ATOM 7736 H GLY C 158 -14.238 18.838 30.470 1.00 15.00 H +ATOM 7737 N VAL C 159 -16.177 19.222 27.471 1.00 35.02 N +ATOM 7738 CA VAL C 159 -17.028 18.659 26.440 1.00 40.08 C +ATOM 7739 C VAL C 159 -17.434 19.578 25.296 1.00 41.83 C +ATOM 7740 O VAL C 159 -17.702 20.770 25.497 1.00 41.09 O +ATOM 7741 CB VAL C 159 -18.310 18.085 27.066 1.00 43.18 C +ATOM 7742 CG1 VAL C 159 -17.976 16.911 27.954 1.00 52.89 C +ATOM 7743 CG2 VAL C 159 -19.022 19.158 27.872 1.00 53.14 C +ATOM 7744 H VAL C 159 -16.594 19.705 28.211 1.00 15.00 H +ATOM 7745 N LEU C 160 -17.524 18.983 24.105 1.00 39.78 N +ATOM 7746 CA LEU C 160 -17.943 19.668 22.884 1.00 31.91 C +ATOM 7747 C LEU C 160 -19.025 18.868 22.182 1.00 32.99 C +ATOM 7748 O LEU C 160 -18.741 17.885 21.476 1.00 35.36 O +ATOM 7749 CB LEU C 160 -16.783 19.851 21.916 1.00 36.40 C +ATOM 7750 CG LEU C 160 -16.028 21.175 21.979 1.00 46.33 C +ATOM 7751 CD1 LEU C 160 -15.145 21.227 23.235 1.00 51.09 C +ATOM 7752 CD2 LEU C 160 -15.185 21.314 20.716 1.00 44.27 C +ATOM 7753 H LEU C 160 -17.276 18.036 24.039 1.00 15.00 H +ATOM 7754 N ASN C 161 -20.270 19.270 22.404 1.00 29.04 N +ATOM 7755 CA ASN C 161 -21.402 18.603 21.775 1.00 36.47 C +ATOM 7756 C ASN C 161 -21.889 19.512 20.655 1.00 39.46 C +ATOM 7757 O ASN C 161 -21.717 20.733 20.730 1.00 38.15 O +ATOM 7758 CB ASN C 161 -22.556 18.364 22.763 1.00 43.49 C +ATOM 7759 CG ASN C 161 -22.171 18.630 24.200 1.00 42.58 C +ATOM 7760 OD1 ASN C 161 -21.438 17.850 24.798 1.00 49.97 O +ATOM 7761 ND2 ASN C 161 -22.661 19.735 24.764 1.00 35.53 N +ATOM 7762 H ASN C 161 -20.407 20.049 22.972 1.00 15.00 H +ATOM 7763 HD21 ASN C 161 -22.416 19.893 25.701 1.00 15.00 H +ATOM 7764 HD22 ASN C 161 -23.243 20.324 24.241 1.00 15.00 H +ATOM 7765 N SER C 162 -22.525 18.922 19.644 1.00 42.44 N +ATOM 7766 CA SER C 162 -23.048 19.667 18.504 1.00 37.55 C +ATOM 7767 C SER C 162 -24.421 19.103 18.187 1.00 36.44 C +ATOM 7768 O SER C 162 -24.648 17.909 18.380 1.00 45.02 O +ATOM 7769 CB SER C 162 -22.119 19.493 17.303 1.00 37.42 C +ATOM 7770 OG SER C 162 -22.531 20.289 16.210 1.00 46.73 O +ATOM 7771 H SER C 162 -22.641 17.950 19.645 1.00 15.00 H +ATOM 7772 HG SER C 162 -21.775 20.783 15.850 1.00 15.00 H +ATOM 7773 N TRP C 163 -25.328 19.960 17.719 1.00 35.56 N +ATOM 7774 CA TRP C 163 -26.701 19.571 17.371 1.00 36.99 C +ATOM 7775 C TRP C 163 -27.015 19.730 15.888 1.00 27.10 C +ATOM 7776 O TRP C 163 -26.466 20.590 15.212 1.00 32.16 O +ATOM 7777 CB TRP C 163 -27.715 20.450 18.105 1.00 55.64 C +ATOM 7778 CG TRP C 163 -28.186 19.992 19.448 1.00 67.59 C +ATOM 7779 CD1 TRP C 163 -29.301 19.246 19.715 1.00 69.08 C +ATOM 7780 CD2 TRP C 163 -27.670 20.410 20.717 1.00 74.28 C +ATOM 7781 NE1 TRP C 163 -29.526 19.200 21.070 1.00 75.33 N +ATOM 7782 CE2 TRP C 163 -28.540 19.906 21.709 1.00 74.20 C +ATOM 7783 CE3 TRP C 163 -26.561 21.174 21.112 1.00 77.78 C +ATOM 7784 CZ2 TRP C 163 -28.338 20.144 23.073 1.00 79.46 C +ATOM 7785 CZ3 TRP C 163 -26.359 21.411 22.470 1.00 79.89 C +ATOM 7786 CH2 TRP C 163 -27.246 20.897 23.433 1.00 81.17 C +ATOM 7787 H TRP C 163 -25.058 20.883 17.546 1.00 15.00 H +ATOM 7788 HE1 TRP C 163 -30.283 18.747 21.510 1.00 15.00 H +ATOM 7789 N THR C 164 -27.978 18.951 15.421 1.00 28.98 N +ATOM 7790 CA THR C 164 -28.430 19.004 14.044 1.00 32.22 C +ATOM 7791 C THR C 164 -29.783 19.730 14.075 1.00 38.35 C +ATOM 7792 O THR C 164 -30.361 19.924 15.149 1.00 32.84 O +ATOM 7793 CB THR C 164 -28.647 17.553 13.500 1.00 27.12 C +ATOM 7794 OG1 THR C 164 -27.412 16.829 13.532 1.00 32.54 O +ATOM 7795 CG2 THR C 164 -29.152 17.562 12.076 1.00 41.93 C +ATOM 7796 H THR C 164 -28.406 18.319 16.033 1.00 15.00 H +ATOM 7797 HG1 THR C 164 -26.715 17.392 13.175 1.00 15.00 H +ATOM 7798 N ASP C 165 -30.242 20.214 12.923 1.00 45.65 N +ATOM 7799 CA ASP C 165 -31.554 20.843 12.855 1.00 42.70 C +ATOM 7800 C ASP C 165 -32.508 19.673 12.690 1.00 44.54 C +ATOM 7801 O ASP C 165 -32.089 18.574 12.306 1.00 39.82 O +ATOM 7802 CB ASP C 165 -31.659 21.759 11.646 1.00 43.01 C +ATOM 7803 CG ASP C 165 -30.975 23.076 11.861 1.00 47.43 C +ATOM 7804 OD1 ASP C 165 -31.457 23.854 12.717 1.00 50.42 O +ATOM 7805 OD2 ASP C 165 -29.964 23.330 11.171 1.00 48.02 O +ATOM 7806 H ASP C 165 -29.721 20.130 12.103 1.00 15.00 H +ATOM 7807 N GLN C 166 -33.781 19.894 12.988 1.00 46.73 N +ATOM 7808 CA GLN C 166 -34.779 18.839 12.864 1.00 51.41 C +ATOM 7809 C GLN C 166 -34.698 18.216 11.462 1.00 54.64 C +ATOM 7810 O GLN C 166 -34.893 18.899 10.456 1.00 65.52 O +ATOM 7811 CB GLN C 166 -36.161 19.433 13.114 1.00 51.61 C +ATOM 7812 CG GLN C 166 -37.271 18.426 13.230 1.00 54.39 C +ATOM 7813 CD GLN C 166 -38.590 19.085 13.551 1.00 55.72 C +ATOM 7814 OE1 GLN C 166 -39.063 19.038 14.687 1.00 49.62 O +ATOM 7815 NE2 GLN C 166 -39.187 19.729 12.553 1.00 51.04 N +ATOM 7816 H GLN C 166 -34.058 20.785 13.270 1.00 15.00 H +ATOM 7817 HE21 GLN C 166 -40.046 20.166 12.647 1.00 15.00 H +ATOM 7818 HE22 GLN C 166 -38.686 19.706 11.710 1.00 15.00 H +ATOM 7819 N ASP C 167 -34.357 16.936 11.390 1.00 49.36 N +ATOM 7820 CA ASP C 167 -34.245 16.268 10.105 1.00 40.34 C +ATOM 7821 C ASP C 167 -35.561 16.247 9.349 1.00 47.60 C +ATOM 7822 O ASP C 167 -36.624 16.006 9.923 1.00 39.77 O +ATOM 7823 CB ASP C 167 -33.716 14.852 10.284 1.00 40.70 C +ATOM 7824 CG ASP C 167 -33.897 14.003 9.049 1.00 42.88 C +ATOM 7825 OD1 ASP C 167 -35.023 13.512 8.844 1.00 44.80 O +ATOM 7826 OD2 ASP C 167 -32.922 13.820 8.287 1.00 53.97 O +ATOM 7827 H ASP C 167 -34.164 16.455 12.213 1.00 15.00 H +ATOM 7828 N SER C 168 -35.449 16.433 8.037 1.00 58.42 N +ATOM 7829 CA SER C 168 -36.586 16.451 7.121 1.00 64.72 C +ATOM 7830 C SER C 168 -37.474 15.219 7.230 1.00 68.63 C +ATOM 7831 O SER C 168 -38.634 15.325 7.626 1.00 72.84 O +ATOM 7832 CB SER C 168 -36.092 16.607 5.675 1.00 70.89 C +ATOM 7833 OG SER C 168 -37.083 16.251 4.721 1.00 76.65 O +ATOM 7834 H SER C 168 -34.555 16.596 7.685 1.00 15.00 H +ATOM 7835 HG SER C 168 -36.782 16.451 3.830 1.00 15.00 H +ATOM 7836 N LYS C 169 -36.919 14.057 6.889 1.00 67.92 N +ATOM 7837 CA LYS C 169 -37.663 12.803 6.923 1.00 70.00 C +ATOM 7838 C LYS C 169 -38.171 12.326 8.287 1.00 66.43 C +ATOM 7839 O LYS C 169 -39.383 12.329 8.534 1.00 74.19 O +ATOM 7840 CB LYS C 169 -36.887 11.685 6.202 1.00 80.74 C +ATOM 7841 CG LYS C 169 -35.403 11.579 6.532 1.00 91.53 C +ATOM 7842 CD LYS C 169 -34.719 10.520 5.673 1.00102.45 C +ATOM 7843 CE LYS C 169 -33.215 10.464 5.936 1.00108.01 C +ATOM 7844 NZ LYS C 169 -32.521 9.433 5.103 1.00107.57 N +ATOM 7845 H LYS C 169 -35.994 14.065 6.586 1.00 15.00 H +ATOM 7846 HZ1 LYS C 169 -32.917 8.493 5.307 1.00 15.00 H +ATOM 7847 HZ2 LYS C 169 -32.659 9.662 4.098 1.00 15.00 H +ATOM 7848 HZ3 LYS C 169 -31.504 9.434 5.323 1.00 15.00 H +ATOM 7849 N ASP C 170 -37.273 11.913 9.176 1.00 52.40 N +ATOM 7850 CA ASP C 170 -37.739 11.432 10.468 1.00 37.91 C +ATOM 7851 C ASP C 170 -38.206 12.475 11.480 1.00 30.11 C +ATOM 7852 O ASP C 170 -38.799 12.120 12.480 1.00 26.05 O +ATOM 7853 CB ASP C 170 -36.783 10.402 11.083 1.00 41.83 C +ATOM 7854 CG ASP C 170 -35.393 10.935 11.303 1.00 46.88 C +ATOM 7855 OD1 ASP C 170 -35.239 12.160 11.475 1.00 48.27 O +ATOM 7856 OD2 ASP C 170 -34.451 10.115 11.328 1.00 50.70 O +ATOM 7857 H ASP C 170 -36.325 11.894 8.968 1.00 15.00 H +ATOM 7858 N SER C 171 -37.998 13.756 11.191 1.00 31.28 N +ATOM 7859 CA SER C 171 -38.418 14.833 12.085 1.00 31.91 C +ATOM 7860 C SER C 171 -37.673 14.797 13.415 1.00 34.09 C +ATOM 7861 O SER C 171 -38.043 15.508 14.356 1.00 30.59 O +ATOM 7862 CB SER C 171 -39.928 14.769 12.337 1.00 35.02 C +ATOM 7863 OG SER C 171 -40.667 14.827 11.125 1.00 45.82 O +ATOM 7864 H SER C 171 -37.581 14.032 10.352 1.00 15.00 H +ATOM 7865 HG SER C 171 -40.342 14.172 10.495 1.00 15.00 H +ATOM 7866 N THR C 172 -36.604 13.998 13.466 1.00 31.49 N +ATOM 7867 CA THR C 172 -35.788 13.831 14.670 1.00 35.85 C +ATOM 7868 C THR C 172 -34.583 14.769 14.720 1.00 47.60 C +ATOM 7869 O THR C 172 -34.356 15.571 13.811 1.00 57.87 O +ATOM 7870 CB THR C 172 -35.215 12.388 14.786 1.00 33.63 C +ATOM 7871 OG1 THR C 172 -34.072 12.232 13.928 1.00 13.78 O +ATOM 7872 CG2 THR C 172 -36.259 11.358 14.430 1.00 37.72 C +ATOM 7873 H THR C 172 -36.310 13.528 12.671 1.00 15.00 H +ATOM 7874 HG1 THR C 172 -33.741 11.329 13.880 1.00 15.00 H +ATOM 7875 N TYR C 173 -33.808 14.650 15.791 1.00 44.66 N +ATOM 7876 CA TYR C 173 -32.608 15.438 15.976 1.00 42.57 C +ATOM 7877 C TYR C 173 -31.470 14.452 16.171 1.00 42.39 C +ATOM 7878 O TYR C 173 -31.691 13.248 16.296 1.00 45.44 O +ATOM 7879 CB TYR C 173 -32.721 16.307 17.227 1.00 42.59 C +ATOM 7880 CG TYR C 173 -33.774 17.384 17.158 1.00 46.08 C +ATOM 7881 CD1 TYR C 173 -35.126 17.064 17.197 1.00 43.41 C +ATOM 7882 CD2 TYR C 173 -33.417 18.733 17.095 1.00 51.26 C +ATOM 7883 CE1 TYR C 173 -36.097 18.056 17.179 1.00 44.28 C +ATOM 7884 CE2 TYR C 173 -34.387 19.738 17.076 1.00 44.89 C +ATOM 7885 CZ TYR C 173 -35.725 19.387 17.121 1.00 41.75 C +ATOM 7886 OH TYR C 173 -36.693 20.359 17.140 1.00 30.37 O +ATOM 7887 H TYR C 173 -34.039 14.010 16.493 1.00 15.00 H +ATOM 7888 HH TYR C 173 -36.244 21.201 17.073 1.00 15.00 H +ATOM 7889 N SER C 174 -30.253 14.967 16.199 1.00 37.45 N +ATOM 7890 CA SER C 174 -29.075 14.146 16.416 1.00 43.22 C +ATOM 7891 C SER C 174 -28.066 15.018 17.150 1.00 44.59 C +ATOM 7892 O SER C 174 -28.180 16.247 17.130 1.00 51.67 O +ATOM 7893 CB SER C 174 -28.511 13.646 15.085 1.00 41.74 C +ATOM 7894 OG SER C 174 -29.380 12.687 14.496 1.00 45.18 O +ATOM 7895 H SER C 174 -30.110 15.930 16.095 1.00 15.00 H +ATOM 7896 HG SER C 174 -30.289 12.922 14.734 1.00 15.00 H +ATOM 7897 N MET C 175 -27.130 14.394 17.855 1.00 38.56 N +ATOM 7898 CA MET C 175 -26.125 15.140 18.595 1.00 33.64 C +ATOM 7899 C MET C 175 -24.821 14.391 18.654 1.00 26.83 C +ATOM 7900 O MET C 175 -24.803 13.167 18.691 1.00 39.42 O +ATOM 7901 CB MET C 175 -26.585 15.407 20.019 1.00 35.50 C +ATOM 7902 CG MET C 175 -25.504 16.046 20.856 1.00 39.15 C +ATOM 7903 SD MET C 175 -25.889 15.969 22.571 1.00 41.17 S +ATOM 7904 CE MET C 175 -27.364 16.889 22.581 1.00 30.72 C +ATOM 7905 H MET C 175 -27.112 13.413 17.901 1.00 15.00 H +ATOM 7906 N SER C 176 -23.731 15.139 18.708 1.00 25.06 N +ATOM 7907 CA SER C 176 -22.403 14.560 18.771 1.00 31.75 C +ATOM 7908 C SER C 176 -21.652 15.258 19.879 1.00 35.33 C +ATOM 7909 O SER C 176 -21.285 16.428 19.743 1.00 30.34 O +ATOM 7910 CB SER C 176 -21.676 14.777 17.444 1.00 31.34 C +ATOM 7911 OG SER C 176 -20.309 14.411 17.509 1.00 45.62 O +ATOM 7912 H SER C 176 -23.827 16.115 18.684 1.00 15.00 H +ATOM 7913 HG SER C 176 -19.838 15.112 17.978 1.00 15.00 H +ATOM 7914 N SER C 177 -21.471 14.556 20.991 1.00 38.28 N +ATOM 7915 CA SER C 177 -20.749 15.092 22.134 1.00 31.67 C +ATOM 7916 C SER C 177 -19.372 14.447 22.156 1.00 25.91 C +ATOM 7917 O SER C 177 -19.254 13.220 22.033 1.00 30.99 O +ATOM 7918 CB SER C 177 -21.498 14.770 23.422 1.00 22.75 C +ATOM 7919 OG SER C 177 -20.753 15.181 24.548 1.00 28.91 O +ATOM 7920 H SER C 177 -21.805 13.633 21.044 1.00 15.00 H +ATOM 7921 HG SER C 177 -20.914 16.115 24.727 1.00 15.00 H +ATOM 7922 N THR C 178 -18.328 15.258 22.264 1.00 12.86 N +ATOM 7923 CA THR C 178 -17.006 14.678 22.301 1.00 20.98 C +ATOM 7924 C THR C 178 -16.112 15.275 23.358 1.00 20.03 C +ATOM 7925 O THR C 178 -16.051 16.491 23.550 1.00 23.28 O +ATOM 7926 CB THR C 178 -16.319 14.671 20.926 1.00 31.27 C +ATOM 7927 OG1 THR C 178 -14.961 14.212 21.053 1.00 34.66 O +ATOM 7928 CG2 THR C 178 -16.350 16.053 20.321 1.00 39.00 C +ATOM 7929 H THR C 178 -18.428 16.225 22.320 1.00 15.00 H +ATOM 7930 HG1 THR C 178 -14.411 14.894 21.457 1.00 15.00 H +ATOM 7931 N LEU C 179 -15.465 14.381 24.091 1.00 15.55 N +ATOM 7932 CA LEU C 179 -14.564 14.771 25.147 1.00 10.19 C +ATOM 7933 C LEU C 179 -13.185 14.641 24.565 1.00 27.23 C +ATOM 7934 O LEU C 179 -12.845 13.589 23.983 1.00 24.62 O +ATOM 7935 CB LEU C 179 -14.680 13.820 26.313 1.00 19.29 C +ATOM 7936 CG LEU C 179 -13.779 14.186 27.482 1.00 15.18 C +ATOM 7937 CD1 LEU C 179 -14.505 15.201 28.366 1.00 3.98 C +ATOM 7938 CD2 LEU C 179 -13.445 12.931 28.254 1.00 8.85 C +ATOM 7939 H LEU C 179 -15.579 13.430 23.880 1.00 15.00 H +ATOM 7940 N THR C 180 -12.382 15.690 24.727 1.00 32.88 N +ATOM 7941 CA THR C 180 -11.033 15.676 24.179 1.00 46.47 C +ATOM 7942 C THR C 180 -9.937 15.857 25.229 1.00 49.16 C +ATOM 7943 O THR C 180 -9.756 16.936 25.802 1.00 55.89 O +ATOM 7944 CB THR C 180 -10.883 16.691 23.006 1.00 48.24 C +ATOM 7945 OG1 THR C 180 -11.817 16.368 21.961 1.00 56.38 O +ATOM 7946 CG2 THR C 180 -9.479 16.625 22.422 1.00 48.57 C +ATOM 7947 H THR C 180 -12.684 16.493 25.200 1.00 15.00 H +ATOM 7948 HG1 THR C 180 -11.481 15.580 21.503 1.00 15.00 H +ATOM 7949 N LEU C 181 -9.217 14.767 25.471 1.00 47.20 N +ATOM 7950 CA LEU C 181 -8.140 14.715 26.449 1.00 42.83 C +ATOM 7951 C LEU C 181 -6.797 14.534 25.771 1.00 44.00 C +ATOM 7952 O LEU C 181 -6.708 14.422 24.546 1.00 43.60 O +ATOM 7953 CB LEU C 181 -8.366 13.522 27.372 1.00 33.70 C +ATOM 7954 CG LEU C 181 -9.780 13.402 27.921 1.00 23.49 C +ATOM 7955 CD1 LEU C 181 -10.070 11.960 28.242 1.00 33.73 C +ATOM 7956 CD2 LEU C 181 -9.948 14.298 29.121 1.00 20.70 C +ATOM 7957 H LEU C 181 -9.423 13.952 24.989 1.00 15.00 H +ATOM 7958 N THR C 182 -5.754 14.499 26.590 1.00 38.41 N +ATOM 7959 CA THR C 182 -4.399 14.292 26.115 1.00 39.38 C +ATOM 7960 C THR C 182 -4.183 12.786 26.146 1.00 43.04 C +ATOM 7961 O THR C 182 -4.847 12.099 26.927 1.00 49.25 O +ATOM 7962 CB THR C 182 -3.427 14.888 27.104 1.00 43.86 C +ATOM 7963 OG1 THR C 182 -3.850 16.216 27.440 1.00 42.63 O +ATOM 7964 CG2 THR C 182 -2.012 14.874 26.532 1.00 49.69 C +ATOM 7965 H THR C 182 -5.898 14.608 27.549 1.00 15.00 H +ATOM 7966 HG1 THR C 182 -3.961 16.676 26.598 1.00 15.00 H +ATOM 7967 N LYS C 183 -3.274 12.260 25.327 1.00 39.72 N +ATOM 7968 CA LYS C 183 -3.012 10.817 25.372 1.00 42.19 C +ATOM 7969 C LYS C 183 -2.759 10.453 26.832 1.00 44.83 C +ATOM 7970 O LYS C 183 -3.477 9.646 27.417 1.00 46.29 O +ATOM 7971 CB LYS C 183 -1.766 10.442 24.564 1.00 42.78 C +ATOM 7972 CG LYS C 183 -1.343 8.968 24.722 1.00 41.70 C +ATOM 7973 CD LYS C 183 -0.058 8.654 23.951 1.00 51.45 C +ATOM 7974 CE LYS C 183 0.282 7.159 23.930 1.00 58.08 C +ATOM 7975 NZ LYS C 183 0.895 6.652 25.194 1.00 67.91 N +ATOM 7976 H LYS C 183 -2.804 12.829 24.677 1.00 15.00 H +ATOM 7977 HZ1 LYS C 183 0.238 6.822 25.981 1.00 15.00 H +ATOM 7978 HZ2 LYS C 183 1.082 5.634 25.109 1.00 15.00 H +ATOM 7979 HZ3 LYS C 183 1.786 7.158 25.372 1.00 15.00 H +ATOM 7980 N ASP C 184 -1.782 11.130 27.429 1.00 44.01 N +ATOM 7981 CA ASP C 184 -1.414 10.904 28.818 1.00 38.73 C +ATOM 7982 C ASP C 184 -2.622 10.919 29.749 1.00 40.25 C +ATOM 7983 O ASP C 184 -2.913 9.912 30.397 1.00 44.09 O +ATOM 7984 CB ASP C 184 -0.373 11.934 29.274 1.00 28.21 C +ATOM 7985 CG ASP C 184 0.932 11.843 28.486 1.00 28.53 C +ATOM 7986 OD1 ASP C 184 1.271 10.746 27.969 1.00 11.29 O +ATOM 7987 OD2 ASP C 184 1.620 12.879 28.381 1.00 25.25 O +ATOM 7988 H ASP C 184 -1.286 11.794 26.908 1.00 15.00 H +ATOM 7989 N GLU C 185 -3.368 12.020 29.771 1.00 35.80 N +ATOM 7990 CA GLU C 185 -4.520 12.091 30.656 1.00 32.54 C +ATOM 7991 C GLU C 185 -5.596 11.076 30.325 1.00 27.84 C +ATOM 7992 O GLU C 185 -6.436 10.774 31.161 1.00 34.72 O +ATOM 7993 CB GLU C 185 -5.123 13.485 30.703 1.00 42.48 C +ATOM 7994 CG GLU C 185 -6.013 13.673 31.924 1.00 56.88 C +ATOM 7995 CD GLU C 185 -6.923 14.883 31.827 1.00 75.37 C +ATOM 7996 OE1 GLU C 185 -6.941 15.543 30.759 1.00 82.11 O +ATOM 7997 OE2 GLU C 185 -7.632 15.167 32.824 1.00 81.13 O +ATOM 7998 H GLU C 185 -3.145 12.780 29.204 1.00 15.00 H +ATOM 7999 N TYR C 186 -5.601 10.566 29.105 1.00 21.59 N +ATOM 8000 CA TYR C 186 -6.593 9.568 28.748 1.00 25.42 C +ATOM 8001 C TYR C 186 -6.123 8.260 29.358 1.00 27.25 C +ATOM 8002 O TYR C 186 -6.899 7.545 29.977 1.00 31.85 O +ATOM 8003 CB TYR C 186 -6.718 9.448 27.225 1.00 24.56 C +ATOM 8004 CG TYR C 186 -7.448 8.214 26.694 1.00 11.64 C +ATOM 8005 CD1 TYR C 186 -8.821 8.034 26.878 1.00 11.39 C +ATOM 8006 CD2 TYR C 186 -6.757 7.243 25.972 1.00 7.24 C +ATOM 8007 CE1 TYR C 186 -9.482 6.902 26.344 1.00 15.93 C +ATOM 8008 CE2 TYR C 186 -7.401 6.115 25.440 1.00 2.00 C +ATOM 8009 CZ TYR C 186 -8.754 5.950 25.624 1.00 12.06 C +ATOM 8010 OH TYR C 186 -9.367 4.844 25.069 1.00 17.61 O +ATOM 8011 H TYR C 186 -4.943 10.835 28.436 1.00 15.00 H +ATOM 8012 HH TYR C 186 -8.738 4.197 24.705 1.00 15.00 H +ATOM 8013 N GLU C 187 -4.832 7.986 29.240 1.00 25.45 N +ATOM 8014 CA GLU C 187 -4.283 6.757 29.776 1.00 32.23 C +ATOM 8015 C GLU C 187 -4.358 6.610 31.300 1.00 33.29 C +ATOM 8016 O GLU C 187 -4.590 5.510 31.786 1.00 41.09 O +ATOM 8017 CB GLU C 187 -2.860 6.510 29.253 1.00 31.85 C +ATOM 8018 CG GLU C 187 -2.820 6.125 27.764 1.00 47.08 C +ATOM 8019 CD GLU C 187 -1.459 5.601 27.271 1.00 54.49 C +ATOM 8020 OE1 GLU C 187 -0.405 5.977 27.844 1.00 55.39 O +ATOM 8021 OE2 GLU C 187 -1.451 4.819 26.285 1.00 48.34 O +ATOM 8022 H GLU C 187 -4.252 8.632 28.801 1.00 15.00 H +ATOM 8023 N ARG C 188 -4.219 7.692 32.065 1.00 36.47 N +ATOM 8024 CA ARG C 188 -4.288 7.564 33.534 1.00 30.73 C +ATOM 8025 C ARG C 188 -5.708 7.435 34.092 1.00 20.66 C +ATOM 8026 O ARG C 188 -6.020 7.962 35.157 1.00 20.61 O +ATOM 8027 CB ARG C 188 -3.524 8.688 34.260 1.00 22.21 C +ATOM 8028 CG ARG C 188 -4.227 10.015 34.319 1.00 9.27 C +ATOM 8029 CD ARG C 188 -3.569 10.924 35.326 1.00 19.25 C +ATOM 8030 NE ARG C 188 -3.995 12.320 35.180 1.00 42.21 N +ATOM 8031 CZ ARG C 188 -5.180 12.807 35.554 1.00 51.28 C +ATOM 8032 NH1 ARG C 188 -6.088 12.015 36.106 1.00 48.63 N +ATOM 8033 NH2 ARG C 188 -5.450 14.100 35.393 1.00 55.90 N +ATOM 8034 H ARG C 188 -4.091 8.568 31.645 1.00 15.00 H +ATOM 8035 HE ARG C 188 -3.364 12.951 34.776 1.00 15.00 H +ATOM 8036 HH11 ARG C 188 -5.905 11.042 36.249 1.00 15.00 H +ATOM 8037 HH12 ARG C 188 -6.972 12.396 36.373 1.00 15.00 H +ATOM 8038 HH21 ARG C 188 -4.765 14.704 34.985 1.00 15.00 H +ATOM 8039 HH22 ARG C 188 -6.340 14.465 35.666 1.00 15.00 H +ATOM 8040 N HIS C 189 -6.565 6.753 33.345 1.00 13.99 N +ATOM 8041 CA HIS C 189 -7.951 6.505 33.728 1.00 18.09 C +ATOM 8042 C HIS C 189 -8.342 5.212 33.005 1.00 19.48 C +ATOM 8043 O HIS C 189 -7.603 4.752 32.140 1.00 21.28 O +ATOM 8044 CB HIS C 189 -8.854 7.653 33.283 1.00 25.39 C +ATOM 8045 CG HIS C 189 -8.554 8.960 33.946 1.00 28.12 C +ATOM 8046 ND1 HIS C 189 -9.050 9.300 35.186 1.00 30.97 N +ATOM 8047 CD2 HIS C 189 -7.831 10.027 33.527 1.00 35.72 C +ATOM 8048 CE1 HIS C 189 -8.651 10.521 35.500 1.00 30.94 C +ATOM 8049 NE2 HIS C 189 -7.909 10.984 34.510 1.00 23.75 N +ATOM 8050 H HIS C 189 -6.288 6.334 32.499 1.00 15.00 H +ATOM 8051 HD1 HIS C 189 -9.563 8.722 35.783 1.00 15.00 H +ATOM 8052 HE2 HIS C 189 -7.469 11.858 34.455 1.00 15.00 H +ATOM 8053 N ASN C 190 -9.480 4.616 33.336 1.00 19.50 N +ATOM 8054 CA ASN C 190 -9.837 3.367 32.673 1.00 37.78 C +ATOM 8055 C ASN C 190 -11.201 3.325 32.013 1.00 41.16 C +ATOM 8056 O ASN C 190 -11.319 2.997 30.829 1.00 38.69 O +ATOM 8057 CB ASN C 190 -9.705 2.181 33.639 1.00 58.88 C +ATOM 8058 CG ASN C 190 -10.544 0.978 33.206 1.00 78.34 C +ATOM 8059 OD1 ASN C 190 -10.352 0.420 32.115 1.00 84.12 O +ATOM 8060 ND2 ASN C 190 -11.503 0.600 34.044 1.00 86.02 N +ATOM 8061 H ASN C 190 -10.071 5.021 33.987 1.00 15.00 H +ATOM 8062 HD21 ASN C 190 -12.071 -0.143 33.736 1.00 15.00 H +ATOM 8063 HD22 ASN C 190 -11.641 1.047 34.897 1.00 15.00 H +ATOM 8064 N SER C 191 -12.233 3.547 32.816 1.00 40.76 N +ATOM 8065 CA SER C 191 -13.594 3.528 32.322 1.00 41.20 C +ATOM 8066 C SER C 191 -14.021 4.905 31.809 1.00 41.14 C +ATOM 8067 O SER C 191 -13.588 5.931 32.351 1.00 41.70 O +ATOM 8068 CB SER C 191 -14.530 3.079 33.443 1.00 45.20 C +ATOM 8069 OG SER C 191 -15.858 2.910 32.980 1.00 51.86 O +ATOM 8070 H SER C 191 -12.115 3.721 33.745 1.00 15.00 H +ATOM 8071 HG SER C 191 -16.257 3.743 32.698 1.00 15.00 H +ATOM 8072 N TYR C 192 -14.829 4.907 30.741 1.00 35.32 N +ATOM 8073 CA TYR C 192 -15.374 6.122 30.121 1.00 19.69 C +ATOM 8074 C TYR C 192 -16.837 5.870 29.883 1.00 20.44 C +ATOM 8075 O TYR C 192 -17.216 4.844 29.306 1.00 21.09 O +ATOM 8076 CB TYR C 192 -14.692 6.434 28.799 1.00 2.00 C +ATOM 8077 CG TYR C 192 -13.289 6.917 28.990 1.00 15.31 C +ATOM 8078 CD1 TYR C 192 -13.037 8.177 29.526 1.00 14.73 C +ATOM 8079 CD2 TYR C 192 -12.200 6.090 28.703 1.00 19.92 C +ATOM 8080 CE1 TYR C 192 -11.730 8.598 29.775 1.00 25.65 C +ATOM 8081 CE2 TYR C 192 -10.893 6.505 28.956 1.00 8.93 C +ATOM 8082 CZ TYR C 192 -10.667 7.753 29.488 1.00 18.91 C +ATOM 8083 OH TYR C 192 -9.377 8.166 29.736 1.00 29.53 O +ATOM 8084 H TYR C 192 -15.082 4.045 30.339 1.00 15.00 H +ATOM 8085 HH TYR C 192 -8.756 7.438 29.602 1.00 15.00 H +ATOM 8086 N THR C 193 -17.658 6.816 30.315 1.00 24.39 N +ATOM 8087 CA THR C 193 -19.098 6.686 30.204 1.00 37.33 C +ATOM 8088 C THR C 193 -19.802 7.926 29.675 1.00 41.17 C +ATOM 8089 O THR C 193 -19.573 9.043 30.145 1.00 47.31 O +ATOM 8090 CB THR C 193 -19.691 6.361 31.586 1.00 46.93 C +ATOM 8091 OG1 THR C 193 -19.123 5.138 32.075 1.00 53.53 O +ATOM 8092 CG2 THR C 193 -21.210 6.240 31.514 1.00 50.36 C +ATOM 8093 H THR C 193 -17.290 7.615 30.740 1.00 15.00 H +ATOM 8094 HG1 THR C 193 -19.320 5.038 33.017 1.00 15.00 H +ATOM 8095 N CYS C 194 -20.693 7.699 28.720 1.00 36.08 N +ATOM 8096 CA CYS C 194 -21.480 8.748 28.106 1.00 31.52 C +ATOM 8097 C CYS C 194 -22.863 8.506 28.673 1.00 30.13 C +ATOM 8098 O CYS C 194 -23.474 7.472 28.411 1.00 26.22 O +ATOM 8099 CB CYS C 194 -21.480 8.545 26.598 1.00 36.01 C +ATOM 8100 SG CYS C 194 -22.465 9.721 25.622 1.00 42.15 S +ATOM 8101 H CYS C 194 -20.854 6.778 28.417 1.00 15.00 H +ATOM 8102 N GLU C 195 -23.339 9.428 29.494 1.00 33.78 N +ATOM 8103 CA GLU C 195 -24.638 9.260 30.124 1.00 42.86 C +ATOM 8104 C GLU C 195 -25.676 10.232 29.587 1.00 44.07 C +ATOM 8105 O GLU C 195 -25.510 11.448 29.701 1.00 51.82 O +ATOM 8106 CB GLU C 195 -24.484 9.423 31.634 1.00 45.38 C +ATOM 8107 CG GLU C 195 -25.752 9.185 32.413 1.00 52.09 C +ATOM 8108 CD GLU C 195 -25.516 9.201 33.898 1.00 58.35 C +ATOM 8109 OE1 GLU C 195 -24.433 8.744 34.327 1.00 56.44 O +ATOM 8110 OE2 GLU C 195 -26.414 9.666 34.633 1.00 60.31 O +ATOM 8111 H GLU C 195 -22.828 10.245 29.679 1.00 15.00 H +ATOM 8112 N ALA C 196 -26.771 9.694 29.062 1.00 41.36 N +ATOM 8113 CA ALA C 196 -27.832 10.513 28.490 1.00 46.74 C +ATOM 8114 C ALA C 196 -29.177 10.486 29.222 1.00 49.94 C +ATOM 8115 O ALA C 196 -29.723 9.424 29.506 1.00 50.55 O +ATOM 8116 CB ALA C 196 -28.033 10.128 27.045 1.00 40.23 C +ATOM 8117 H ALA C 196 -26.876 8.724 29.059 1.00 15.00 H +ATOM 8118 N THR C 197 -29.723 11.664 29.491 1.00 58.08 N +ATOM 8119 CA THR C 197 -31.017 11.790 30.156 1.00 77.10 C +ATOM 8120 C THR C 197 -31.997 12.324 29.121 1.00 81.50 C +ATOM 8121 O THR C 197 -31.683 13.281 28.413 1.00 82.30 O +ATOM 8122 CB THR C 197 -30.954 12.769 31.345 1.00 83.72 C +ATOM 8123 OG1 THR C 197 -30.121 12.217 32.371 1.00 93.88 O +ATOM 8124 CG2 THR C 197 -32.350 13.029 31.912 1.00 90.82 C +ATOM 8125 H THR C 197 -29.245 12.477 29.227 1.00 15.00 H +ATOM 8126 HG1 THR C 197 -29.227 12.129 32.029 1.00 15.00 H +ATOM 8127 N HIS C 198 -33.186 11.735 29.043 1.00 89.90 N +ATOM 8128 CA HIS C 198 -34.166 12.171 28.047 1.00 96.24 C +ATOM 8129 C HIS C 198 -35.574 11.671 28.348 1.00 98.20 C +ATOM 8130 O HIS C 198 -35.771 10.482 28.581 1.00104.23 O +ATOM 8131 CB HIS C 198 -33.735 11.664 26.658 1.00 96.50 C +ATOM 8132 CG HIS C 198 -34.584 12.162 25.526 1.00 95.72 C +ATOM 8133 ND1 HIS C 198 -35.024 11.341 24.509 1.00 91.91 N +ATOM 8134 CD2 HIS C 198 -35.034 13.404 25.225 1.00 93.10 C +ATOM 8135 CE1 HIS C 198 -35.701 12.056 23.629 1.00 93.45 C +ATOM 8136 NE2 HIS C 198 -35.721 13.311 24.039 1.00 93.02 N +ATOM 8137 H HIS C 198 -33.427 10.994 29.646 1.00 15.00 H +ATOM 8138 HD1 HIS C 198 -34.917 10.366 24.441 1.00 15.00 H +ATOM 8139 HE2 HIS C 198 -36.077 14.078 23.536 1.00 15.00 H +ATOM 8140 N LYS C 199 -36.548 12.572 28.227 1.00 97.53 N +ATOM 8141 CA LYS C 199 -37.970 12.293 28.466 1.00 95.26 C +ATOM 8142 C LYS C 199 -38.450 10.866 28.177 1.00 90.11 C +ATOM 8143 O LYS C 199 -39.255 10.320 28.930 1.00 88.75 O +ATOM 8144 CB LYS C 199 -38.830 13.282 27.665 1.00100.92 C +ATOM 8145 CG LYS C 199 -40.344 13.114 27.828 1.00102.54 C +ATOM 8146 CD LYS C 199 -41.101 13.860 26.731 1.00100.80 C +ATOM 8147 CE LYS C 199 -42.607 13.652 26.832 1.00105.76 C +ATOM 8148 NZ LYS C 199 -43.336 14.185 25.638 1.00102.20 N +ATOM 8149 H LYS C 199 -36.300 13.490 28.001 1.00 15.00 H +ATOM 8150 HZ1 LYS C 199 -43.117 15.196 25.527 1.00 15.00 H +ATOM 8151 HZ2 LYS C 199 -43.022 13.671 24.791 1.00 15.00 H +ATOM 8152 HZ3 LYS C 199 -44.362 14.062 25.758 1.00 15.00 H +ATOM 8153 N THR C 200 -37.960 10.275 27.088 1.00 86.72 N +ATOM 8154 CA THR C 200 -38.353 8.925 26.687 1.00 86.27 C +ATOM 8155 C THR C 200 -38.128 7.847 27.735 1.00 85.76 C +ATOM 8156 O THR C 200 -38.902 6.897 27.823 1.00 88.34 O +ATOM 8157 CB THR C 200 -37.649 8.469 25.383 1.00 85.93 C +ATOM 8158 OG1 THR C 200 -36.228 8.626 25.509 1.00 86.07 O +ATOM 8159 CG2 THR C 200 -38.150 9.268 24.198 1.00 88.29 C +ATOM 8160 H THR C 200 -37.304 10.731 26.542 1.00 15.00 H +ATOM 8161 HG1 THR C 200 -35.948 7.937 26.130 1.00 15.00 H +ATOM 8162 N SER C 201 -37.060 7.978 28.509 1.00 87.77 N +ATOM 8163 CA SER C 201 -36.742 6.994 29.530 1.00 88.58 C +ATOM 8164 C SER C 201 -36.542 7.660 30.890 1.00 91.56 C +ATOM 8165 O SER C 201 -36.069 8.796 30.988 1.00 91.30 O +ATOM 8166 CB SER C 201 -35.483 6.212 29.122 1.00 83.31 C +ATOM 8167 OG SER C 201 -35.233 5.108 29.979 1.00 77.04 O +ATOM 8168 H SER C 201 -36.492 8.770 28.474 1.00 15.00 H +ATOM 8169 HG SER C 201 -34.272 5.005 30.076 1.00 15.00 H +ATOM 8170 N THR C 202 -36.941 6.945 31.934 1.00 97.58 N +ATOM 8171 CA THR C 202 -36.806 7.417 33.303 1.00 99.88 C +ATOM 8172 C THR C 202 -35.357 7.192 33.747 1.00 94.89 C +ATOM 8173 O THR C 202 -34.710 8.083 34.305 1.00 90.94 O +ATOM 8174 CB THR C 202 -37.789 6.660 34.220 1.00105.76 C +ATOM 8175 OG1 THR C 202 -37.769 5.261 33.889 1.00111.71 O +ATOM 8176 CG2 THR C 202 -39.210 7.200 34.038 1.00105.45 C +ATOM 8177 H THR C 202 -37.329 6.060 31.785 1.00 15.00 H +ATOM 8178 HG1 THR C 202 -38.394 4.790 34.456 1.00 15.00 H +ATOM 8179 N SER C 203 -34.853 5.992 33.479 1.00 91.78 N +ATOM 8180 CA SER C 203 -33.484 5.651 33.820 1.00 86.43 C +ATOM 8181 C SER C 203 -32.582 6.095 32.672 1.00 78.76 C +ATOM 8182 O SER C 203 -32.835 5.767 31.507 1.00 80.52 O +ATOM 8183 CB SER C 203 -33.343 4.144 34.085 1.00 92.61 C +ATOM 8184 OG SER C 203 -33.961 3.769 35.312 1.00 92.08 O +ATOM 8185 H SER C 203 -35.413 5.338 33.012 1.00 15.00 H +ATOM 8186 HG SER C 203 -34.897 3.976 35.269 1.00 15.00 H +ATOM 8187 N PRO C 204 -31.555 6.902 32.986 1.00 70.35 N +ATOM 8188 CA PRO C 204 -30.566 7.448 32.053 1.00 64.48 C +ATOM 8189 C PRO C 204 -29.965 6.393 31.122 1.00 61.80 C +ATOM 8190 O PRO C 204 -29.473 5.354 31.581 1.00 61.48 O +ATOM 8191 CB PRO C 204 -29.506 8.014 32.995 1.00 61.86 C +ATOM 8192 CG PRO C 204 -30.326 8.514 34.133 1.00 66.75 C +ATOM 8193 CD PRO C 204 -31.293 7.379 34.357 1.00 70.57 C +ATOM 8194 N ILE C 205 -30.018 6.654 29.818 1.00 54.88 N +ATOM 8195 CA ILE C 205 -29.467 5.724 28.843 1.00 50.98 C +ATOM 8196 C ILE C 205 -27.944 5.875 28.916 1.00 50.41 C +ATOM 8197 O ILE C 205 -27.408 6.980 28.810 1.00 52.96 O +ATOM 8198 CB ILE C 205 -30.124 5.915 27.418 1.00 46.21 C +ATOM 8199 CG1 ILE C 205 -29.338 5.175 26.339 1.00 43.82 C +ATOM 8200 CG2 ILE C 205 -30.381 7.365 27.104 1.00 35.58 C +ATOM 8201 CD1 ILE C 205 -29.582 3.682 26.333 1.00 54.97 C +ATOM 8202 H ILE C 205 -30.392 7.515 29.543 1.00 15.00 H +ATOM 8203 N VAL C 206 -27.268 4.768 29.211 1.00 52.11 N +ATOM 8204 CA VAL C 206 -25.819 4.761 29.390 1.00 51.67 C +ATOM 8205 C VAL C 206 -25.073 3.763 28.522 1.00 52.76 C +ATOM 8206 O VAL C 206 -25.478 2.606 28.400 1.00 59.56 O +ATOM 8207 CB VAL C 206 -25.482 4.411 30.855 1.00 52.35 C +ATOM 8208 CG1 VAL C 206 -23.986 4.338 31.062 1.00 52.39 C +ATOM 8209 CG2 VAL C 206 -26.117 5.416 31.803 1.00 58.72 C +ATOM 8210 H VAL C 206 -27.747 3.922 29.320 1.00 15.00 H +ATOM 8211 N LYS C 207 -23.957 4.209 27.959 1.00 52.84 N +ATOM 8212 CA LYS C 207 -23.107 3.361 27.132 1.00 53.15 C +ATOM 8213 C LYS C 207 -21.707 3.629 27.661 1.00 50.61 C +ATOM 8214 O LYS C 207 -21.307 4.789 27.798 1.00 58.70 O +ATOM 8215 CB LYS C 207 -23.214 3.757 25.654 1.00 53.63 C +ATOM 8216 CG LYS C 207 -23.492 2.589 24.703 1.00 67.52 C +ATOM 8217 CD LYS C 207 -24.884 1.990 24.934 1.00 82.46 C +ATOM 8218 CE LYS C 207 -25.161 0.774 24.041 1.00 86.20 C +ATOM 8219 NZ LYS C 207 -25.291 1.105 22.592 1.00 87.63 N +ATOM 8220 H LYS C 207 -23.685 5.145 28.097 1.00 15.00 H +ATOM 8221 HZ1 LYS C 207 -26.076 1.775 22.464 1.00 15.00 H +ATOM 8222 HZ2 LYS C 207 -24.407 1.539 22.257 1.00 15.00 H +ATOM 8223 HZ3 LYS C 207 -25.477 0.235 22.052 1.00 15.00 H +ATOM 8224 N SER C 208 -20.976 2.577 28.002 1.00 43.11 N +ATOM 8225 CA SER C 208 -19.643 2.771 28.540 1.00 39.18 C +ATOM 8226 C SER C 208 -18.641 1.841 27.892 1.00 32.96 C +ATOM 8227 O SER C 208 -19.031 0.875 27.234 1.00 40.35 O +ATOM 8228 CB SER C 208 -19.678 2.560 30.049 1.00 38.41 C +ATOM 8229 OG SER C 208 -18.510 3.080 30.639 1.00 48.66 O +ATOM 8230 H SER C 208 -21.288 1.658 27.878 1.00 15.00 H +ATOM 8231 HG SER C 208 -18.513 4.046 30.609 1.00 15.00 H +ATOM 8232 N PHE C 209 -17.357 2.157 28.042 1.00 32.18 N +ATOM 8233 CA PHE C 209 -16.277 1.336 27.482 1.00 38.99 C +ATOM 8234 C PHE C 209 -15.068 1.400 28.409 1.00 45.71 C +ATOM 8235 O PHE C 209 -14.848 2.416 29.070 1.00 47.80 O +ATOM 8236 CB PHE C 209 -15.895 1.790 26.049 1.00 34.26 C +ATOM 8237 CG PHE C 209 -14.778 2.825 25.977 1.00 32.97 C +ATOM 8238 CD1 PHE C 209 -15.056 4.186 26.016 1.00 28.38 C +ATOM 8239 CD2 PHE C 209 -13.450 2.430 25.833 1.00 31.50 C +ATOM 8240 CE1 PHE C 209 -14.030 5.127 25.912 1.00 32.05 C +ATOM 8241 CE2 PHE C 209 -12.420 3.374 25.729 1.00 27.15 C +ATOM 8242 CZ PHE C 209 -12.711 4.718 25.769 1.00 23.13 C +ATOM 8243 H PHE C 209 -17.123 2.955 28.572 1.00 15.00 H +ATOM 8244 N ASN C 210 -14.324 0.303 28.510 1.00 54.48 N +ATOM 8245 CA ASN C 210 -13.137 0.280 29.359 1.00 65.74 C +ATOM 8246 C ASN C 210 -11.912 0.120 28.477 1.00 68.27 C +ATOM 8247 O ASN C 210 -11.842 -0.797 27.653 1.00 74.35 O +ATOM 8248 CB ASN C 210 -13.228 -0.816 30.425 1.00 71.32 C +ATOM 8249 CG ASN C 210 -14.142 -0.426 31.583 1.00 81.37 C +ATOM 8250 OD1 ASN C 210 -13.681 -0.209 32.702 1.00 86.30 O +ATOM 8251 ND2 ASN C 210 -15.439 -0.320 31.313 1.00 77.47 N +ATOM 8252 H ASN C 210 -14.543 -0.490 27.982 1.00 15.00 H +ATOM 8253 HD21 ASN C 210 -16.001 -0.039 32.067 1.00 15.00 H +ATOM 8254 HD22 ASN C 210 -15.776 -0.499 30.419 1.00 15.00 H +ATOM 8255 N ARG C 211 -10.952 1.026 28.638 1.00 67.99 N +ATOM 8256 CA ARG C 211 -9.749 1.000 27.816 1.00 73.46 C +ATOM 8257 C ARG C 211 -8.837 -0.188 28.047 1.00 83.10 C +ATOM 8258 O ARG C 211 -7.821 -0.336 27.369 1.00 81.59 O +ATOM 8259 CB ARG C 211 -8.953 2.303 27.935 1.00 68.07 C +ATOM 8260 CG ARG C 211 -8.403 2.595 29.309 1.00 67.11 C +ATOM 8261 CD ARG C 211 -7.409 3.746 29.264 1.00 68.93 C +ATOM 8262 NE ARG C 211 -6.070 3.321 28.861 1.00 73.23 N +ATOM 8263 CZ ARG C 211 -5.103 2.988 29.713 1.00 79.56 C +ATOM 8264 NH1 ARG C 211 -5.325 3.027 31.022 1.00 76.71 N +ATOM 8265 NH2 ARG C 211 -3.907 2.624 29.258 1.00 84.41 N +ATOM 8266 H ARG C 211 -11.051 1.727 29.320 1.00 15.00 H +ATOM 8267 HE ARG C 211 -5.867 3.275 27.903 1.00 15.00 H +ATOM 8268 HH11 ARG C 211 -6.215 3.307 31.382 1.00 15.00 H +ATOM 8269 HH12 ARG C 211 -4.590 2.779 31.653 1.00 15.00 H +ATOM 8270 HH21 ARG C 211 -3.731 2.598 28.274 1.00 15.00 H +ATOM 8271 HH22 ARG C 211 -3.183 2.375 29.903 1.00 15.00 H +ATOM 8272 N ASN C 212 -9.209 -1.061 28.977 1.00 97.28 N +ATOM 8273 CA ASN C 212 -8.378 -2.221 29.260 1.00110.49 C +ATOM 8274 C ASN C 212 -8.183 -3.218 28.115 1.00121.01 C +ATOM 8275 O ASN C 212 -7.401 -4.157 28.248 1.00126.16 O +ATOM 8276 CB ASN C 212 -8.792 -2.908 30.562 1.00108.09 C +ATOM 8277 CG ASN C 212 -7.841 -2.589 31.708 1.00106.86 C +ATOM 8278 OD1 ASN C 212 -7.464 -3.468 32.482 1.00111.43 O +ATOM 8279 ND2 ASN C 212 -7.440 -1.328 31.813 1.00103.01 N +ATOM 8280 H ASN C 212 -10.037 -0.920 29.475 1.00 15.00 H +ATOM 8281 HD21 ASN C 212 -6.813 -1.153 32.542 1.00 15.00 H +ATOM 8282 HD22 ASN C 212 -7.762 -0.643 31.194 1.00 15.00 H +ATOM 8283 N GLU C 213 -8.862 -3.004 26.988 1.00130.41 N +ATOM 8284 CA GLU C 213 -8.709 -3.879 25.820 1.00137.17 C +ATOM 8285 C GLU C 213 -8.235 -3.091 24.596 1.00143.27 C +ATOM 8286 O GLU C 213 -7.245 -3.456 23.953 1.00144.35 O +ATOM 8287 CB GLU C 213 -10.004 -4.643 25.488 1.00133.19 C +ATOM 8288 CG GLU C 213 -11.300 -4.041 26.020 1.00128.97 C +ATOM 8289 CD GLU C 213 -11.621 -4.497 27.434 1.00128.98 C +ATOM 8290 OE1 GLU C 213 -11.519 -5.712 27.712 1.00127.13 O +ATOM 8291 OE2 GLU C 213 -11.982 -3.643 28.270 1.00129.40 O +ATOM 8292 H GLU C 213 -9.441 -2.220 26.900 1.00 15.00 H +ATOM 8293 N CYS C 214 -8.944 -2.012 24.283 1.00148.69 N +ATOM 8294 CA CYS C 214 -8.607 -1.167 23.146 1.00152.16 C +ATOM 8295 C CYS C 214 -8.459 0.288 23.585 1.00154.01 C +ATOM 8296 O CYS C 214 -7.614 0.997 22.999 1.00155.93 O +ATOM 8297 CB CYS C 214 -9.674 -1.285 22.057 1.00153.18 C +ATOM 8298 SG CYS C 214 -11.402 -1.099 22.621 1.00155.13 S +ATOM 8299 OXT CYS C 214 -9.165 0.693 24.533 1.00155.48 O +ATOM 8300 H CYS C 214 -9.695 -1.690 24.819 1.00 15.00 H +TER 8301 CYS C 214 +ATOM 8302 N GLU D 1 -31.765 25.878 -17.451 1.00 92.88 N +ATOM 8303 CA GLU D 1 -32.111 26.381 -16.088 1.00 91.61 C +ATOM 8304 C GLU D 1 -31.261 27.628 -15.855 1.00 82.80 C +ATOM 8305 O GLU D 1 -30.376 27.925 -16.654 1.00 81.49 O +ATOM 8306 CB GLU D 1 -31.784 25.314 -15.028 1.00105.19 C +ATOM 8307 CG GLU D 1 -32.306 25.615 -13.611 1.00118.83 C +ATOM 8308 CD GLU D 1 -31.689 24.723 -12.530 1.00128.50 C +ATOM 8309 OE1 GLU D 1 -31.642 23.487 -12.717 1.00134.91 O +ATOM 8310 OE2 GLU D 1 -31.253 25.261 -11.485 1.00129.20 O +ATOM 8311 H1 GLU D 1 -30.721 25.821 -17.452 1.00 15.00 H +ATOM 8312 H2 GLU D 1 -32.213 24.976 -17.690 1.00 15.00 H +ATOM 8313 H3 GLU D 1 -32.005 26.629 -18.129 1.00 15.00 H +ATOM 8314 N VAL D 2 -31.555 28.358 -14.783 1.00 72.27 N +ATOM 8315 CA VAL D 2 -30.818 29.567 -14.414 1.00 63.12 C +ATOM 8316 C VAL D 2 -29.858 29.254 -13.260 1.00 56.61 C +ATOM 8317 O VAL D 2 -30.270 28.709 -12.235 1.00 60.96 O +ATOM 8318 CB VAL D 2 -31.784 30.718 -14.000 1.00 61.18 C +ATOM 8319 CG1 VAL D 2 -32.948 30.177 -13.194 1.00 68.69 C +ATOM 8320 CG2 VAL D 2 -31.048 31.773 -13.183 1.00 63.42 C +ATOM 8321 H VAL D 2 -32.260 28.076 -14.169 1.00 15.00 H +ATOM 8322 N LYS D 3 -28.584 29.593 -13.431 1.00 49.09 N +ATOM 8323 CA LYS D 3 -27.585 29.332 -12.405 1.00 43.51 C +ATOM 8324 C LYS D 3 -26.747 30.546 -12.034 1.00 37.98 C +ATOM 8325 O LYS D 3 -26.472 31.406 -12.866 1.00 41.36 O +ATOM 8326 CB LYS D 3 -26.662 28.189 -12.843 1.00 57.39 C +ATOM 8327 CG LYS D 3 -27.361 26.835 -13.005 1.00 79.95 C +ATOM 8328 CD LYS D 3 -26.374 25.687 -13.234 1.00 94.86 C +ATOM 8329 CE LYS D 3 -25.630 25.814 -14.561 1.00103.34 C +ATOM 8330 NZ LYS D 3 -24.656 24.698 -14.774 1.00110.92 N +ATOM 8331 H LYS D 3 -28.293 30.011 -14.265 1.00 15.00 H +ATOM 8332 HZ1 LYS D 3 -25.164 23.790 -14.750 1.00 15.00 H +ATOM 8333 HZ2 LYS D 3 -24.184 24.810 -15.694 1.00 15.00 H +ATOM 8334 HZ3 LYS D 3 -23.945 24.720 -14.016 1.00 15.00 H +ATOM 8335 N LEU D 4 -26.355 30.608 -10.767 1.00 38.60 N +ATOM 8336 CA LEU D 4 -25.510 31.680 -10.244 1.00 31.17 C +ATOM 8337 C LEU D 4 -24.439 30.996 -9.351 1.00 25.52 C +ATOM 8338 O LEU D 4 -24.731 30.550 -8.245 1.00 37.30 O +ATOM 8339 CB LEU D 4 -26.359 32.694 -9.454 1.00 6.64 C +ATOM 8340 CG LEU D 4 -27.608 33.267 -10.157 1.00 18.30 C +ATOM 8341 CD1 LEU D 4 -28.434 34.208 -9.253 1.00 2.28 C +ATOM 8342 CD2 LEU D 4 -27.176 34.019 -11.380 1.00 9.65 C +ATOM 8343 H LEU D 4 -26.643 29.910 -10.141 1.00 15.00 H +ATOM 8344 N GLN D 5 -23.233 30.826 -9.874 1.00 6.07 N +ATOM 8345 CA GLN D 5 -22.160 30.187 -9.134 1.00 16.40 C +ATOM 8346 C GLN D 5 -21.201 31.241 -8.605 1.00 20.40 C +ATOM 8347 O GLN D 5 -20.545 31.914 -9.398 1.00 29.83 O +ATOM 8348 CB GLN D 5 -21.374 29.245 -10.052 1.00 20.10 C +ATOM 8349 CG GLN D 5 -22.228 28.385 -10.977 1.00 51.33 C +ATOM 8350 CD GLN D 5 -21.554 28.097 -12.331 1.00 76.49 C +ATOM 8351 OE1 GLN D 5 -21.606 28.918 -13.255 1.00 79.96 O +ATOM 8352 NE2 GLN D 5 -20.941 26.919 -12.456 1.00 83.63 N +ATOM 8353 H GLN D 5 -23.036 31.176 -10.774 1.00 15.00 H +ATOM 8354 HE21 GLN D 5 -20.515 26.750 -13.321 1.00 15.00 H +ATOM 8355 HE22 GLN D 5 -20.945 26.298 -11.701 1.00 15.00 H +ATOM 8356 N GLU D 6 -21.117 31.401 -7.282 1.00 21.05 N +ATOM 8357 CA GLU D 6 -20.183 32.374 -6.704 1.00 14.13 C +ATOM 8358 C GLU D 6 -18.826 31.730 -6.583 1.00 11.21 C +ATOM 8359 O GLU D 6 -18.711 30.499 -6.556 1.00 14.47 O +ATOM 8360 CB GLU D 6 -20.600 32.853 -5.318 1.00 2.00 C +ATOM 8361 CG GLU D 6 -21.797 33.731 -5.296 1.00 2.00 C +ATOM 8362 CD GLU D 6 -23.090 32.964 -5.132 1.00 8.47 C +ATOM 8363 OE1 GLU D 6 -23.152 31.763 -5.499 1.00 2.00 O +ATOM 8364 OE2 GLU D 6 -24.058 33.580 -4.641 1.00 8.66 O +ATOM 8365 H GLU D 6 -21.617 30.820 -6.676 1.00 15.00 H +ATOM 8366 N SER D 7 -17.808 32.568 -6.458 1.00 3.47 N +ATOM 8367 CA SER D 7 -16.437 32.111 -6.337 1.00 17.53 C +ATOM 8368 C SER D 7 -15.604 33.144 -5.603 1.00 26.41 C +ATOM 8369 O SER D 7 -16.061 34.264 -5.370 1.00 30.31 O +ATOM 8370 CB SER D 7 -15.840 31.873 -7.718 1.00 13.33 C +ATOM 8371 OG SER D 7 -16.229 30.613 -8.217 1.00 37.14 O +ATOM 8372 H SER D 7 -17.964 33.538 -6.453 1.00 15.00 H +ATOM 8373 HG SER D 7 -17.166 30.447 -8.024 1.00 15.00 H +ATOM 8374 N GLY D 8 -14.398 32.747 -5.206 1.00 27.54 N +ATOM 8375 CA GLY D 8 -13.510 33.666 -4.525 1.00 37.58 C +ATOM 8376 C GLY D 8 -13.690 33.816 -3.031 1.00 46.00 C +ATOM 8377 O GLY D 8 -13.322 34.843 -2.468 1.00 55.82 O +ATOM 8378 H GLY D 8 -14.103 31.829 -5.367 1.00 15.00 H +ATOM 8379 N GLY D 9 -14.298 32.826 -2.391 1.00 48.49 N +ATOM 8380 CA GLY D 9 -14.452 32.888 -0.950 1.00 38.10 C +ATOM 8381 C GLY D 9 -13.132 32.446 -0.345 1.00 29.04 C +ATOM 8382 O GLY D 9 -12.321 31.804 -1.027 1.00 26.30 O +ATOM 8383 H GLY D 9 -14.632 32.045 -2.863 1.00 15.00 H +ATOM 8384 N GLY D 10 -12.906 32.782 0.920 1.00 28.71 N +ATOM 8385 CA GLY D 10 -11.667 32.402 1.577 1.00 23.14 C +ATOM 8386 C GLY D 10 -11.455 33.111 2.899 1.00 23.47 C +ATOM 8387 O GLY D 10 -12.413 33.524 3.560 1.00 30.74 O +ATOM 8388 H GLY D 10 -13.591 33.265 1.430 1.00 15.00 H +ATOM 8389 N LEU D 11 -10.195 33.263 3.283 1.00 21.03 N +ATOM 8390 CA LEU D 11 -9.851 33.926 4.532 1.00 15.01 C +ATOM 8391 C LEU D 11 -8.980 35.134 4.237 1.00 17.08 C +ATOM 8392 O LEU D 11 -8.143 35.090 3.325 1.00 10.47 O +ATOM 8393 CB LEU D 11 -9.089 32.958 5.454 1.00 16.06 C +ATOM 8394 CG LEU D 11 -8.180 33.469 6.595 1.00 19.39 C +ATOM 8395 CD1 LEU D 11 -8.969 33.769 7.884 1.00 4.94 C +ATOM 8396 CD2 LEU D 11 -7.076 32.432 6.858 1.00 2.23 C +ATOM 8397 H LEU D 11 -9.451 32.972 2.716 1.00 15.00 H +ATOM 8398 N VAL D 12 -9.206 36.218 4.979 1.00 9.11 N +ATOM 8399 CA VAL D 12 -8.404 37.424 4.839 1.00 11.37 C +ATOM 8400 C VAL D 12 -8.247 38.151 6.144 1.00 15.22 C +ATOM 8401 O VAL D 12 -9.206 38.337 6.897 1.00 20.42 O +ATOM 8402 CB VAL D 12 -8.934 38.408 3.806 1.00 13.46 C +ATOM 8403 CG1 VAL D 12 -8.337 38.085 2.465 1.00 13.20 C +ATOM 8404 CG2 VAL D 12 -10.458 38.390 3.771 1.00 14.33 C +ATOM 8405 H VAL D 12 -9.937 36.207 5.636 1.00 15.00 H +ATOM 8406 N GLN D 13 -7.016 38.573 6.393 1.00 14.14 N +ATOM 8407 CA GLN D 13 -6.681 39.272 7.611 1.00 17.26 C +ATOM 8408 C GLN D 13 -7.499 40.540 7.623 1.00 15.18 C +ATOM 8409 O GLN D 13 -7.988 40.970 6.587 1.00 21.27 O +ATOM 8410 CB GLN D 13 -5.192 39.639 7.632 1.00 33.00 C +ATOM 8411 CG GLN D 13 -4.262 38.648 6.950 1.00 51.57 C +ATOM 8412 CD GLN D 13 -4.261 38.809 5.433 1.00 71.11 C +ATOM 8413 OE1 GLN D 13 -3.972 39.888 4.910 1.00 78.66 O +ATOM 8414 NE2 GLN D 13 -4.611 37.739 4.722 1.00 78.25 N +ATOM 8415 H GLN D 13 -6.403 38.434 5.660 1.00 15.00 H +ATOM 8416 HE21 GLN D 13 -4.619 37.856 3.746 1.00 15.00 H +ATOM 8417 HE22 GLN D 13 -4.833 36.899 5.175 1.00 15.00 H +ATOM 8418 N PRO D 14 -7.798 41.066 8.810 1.00 15.51 N +ATOM 8419 CA PRO D 14 -8.568 42.303 8.837 1.00 19.58 C +ATOM 8420 C PRO D 14 -7.810 43.334 8.010 1.00 33.56 C +ATOM 8421 O PRO D 14 -6.576 43.253 7.883 1.00 36.11 O +ATOM 8422 CB PRO D 14 -8.544 42.661 10.309 1.00 7.32 C +ATOM 8423 CG PRO D 14 -8.727 41.336 10.929 1.00 23.02 C +ATOM 8424 CD PRO D 14 -7.789 40.435 10.137 1.00 14.30 C +ATOM 8425 N GLY D 15 -8.552 44.252 7.396 1.00 35.36 N +ATOM 8426 CA GLY D 15 -7.943 45.289 6.583 1.00 39.00 C +ATOM 8427 C GLY D 15 -7.473 44.858 5.200 1.00 37.63 C +ATOM 8428 O GLY D 15 -6.849 45.652 4.490 1.00 36.24 O +ATOM 8429 H GLY D 15 -9.508 44.223 7.484 1.00 15.00 H +ATOM 8430 N GLY D 16 -7.777 43.621 4.811 1.00 36.60 N +ATOM 8431 CA GLY D 16 -7.372 43.118 3.505 1.00 41.26 C +ATOM 8432 C GLY D 16 -8.506 43.089 2.491 1.00 43.54 C +ATOM 8433 O GLY D 16 -9.672 42.965 2.859 1.00 52.38 O +ATOM 8434 H GLY D 16 -8.272 43.016 5.403 1.00 15.00 H +ATOM 8435 N SER D 17 -8.168 43.176 1.211 1.00 39.25 N +ATOM 8436 CA SER D 17 -9.173 43.177 0.162 1.00 27.26 C +ATOM 8437 C SER D 17 -9.494 41.776 -0.371 1.00 28.46 C +ATOM 8438 O SER D 17 -8.660 40.855 -0.326 1.00 20.43 O +ATOM 8439 CB SER D 17 -8.718 44.087 -0.982 1.00 28.52 C +ATOM 8440 OG SER D 17 -8.451 45.405 -0.527 1.00 32.04 O +ATOM 8441 H SER D 17 -7.227 43.203 0.957 1.00 15.00 H +ATOM 8442 HG SER D 17 -8.135 45.375 0.386 1.00 15.00 H +ATOM 8443 N LEU D 18 -10.697 41.645 -0.917 1.00 28.33 N +ATOM 8444 CA LEU D 18 -11.180 40.392 -1.482 1.00 24.23 C +ATOM 8445 C LEU D 18 -12.142 40.745 -2.615 1.00 20.21 C +ATOM 8446 O LEU D 18 -12.949 41.679 -2.481 1.00 17.95 O +ATOM 8447 CB LEU D 18 -11.944 39.605 -0.413 1.00 27.35 C +ATOM 8448 CG LEU D 18 -11.630 38.138 -0.118 1.00 21.45 C +ATOM 8449 CD1 LEU D 18 -12.934 37.465 0.209 1.00 30.23 C +ATOM 8450 CD2 LEU D 18 -10.959 37.427 -1.281 1.00 26.88 C +ATOM 8451 H LEU D 18 -11.287 42.429 -0.956 1.00 15.00 H +ATOM 8452 N LYS D 19 -12.083 39.991 -3.708 1.00 9.67 N +ATOM 8453 CA LYS D 19 -12.961 40.246 -4.848 1.00 15.92 C +ATOM 8454 C LYS D 19 -13.783 39.007 -5.208 1.00 13.88 C +ATOM 8455 O LYS D 19 -13.256 38.017 -5.693 1.00 14.66 O +ATOM 8456 CB LYS D 19 -12.136 40.720 -6.046 1.00 21.60 C +ATOM 8457 CG LYS D 19 -12.918 41.043 -7.304 1.00 9.70 C +ATOM 8458 CD LYS D 19 -11.966 41.610 -8.358 1.00 36.65 C +ATOM 8459 CE LYS D 19 -12.704 42.164 -9.582 1.00 45.39 C +ATOM 8460 NZ LYS D 19 -11.884 43.161 -10.352 1.00 41.55 N +ATOM 8461 H LYS D 19 -11.473 39.229 -3.765 1.00 15.00 H +ATOM 8462 HZ1 LYS D 19 -10.997 42.719 -10.657 1.00 15.00 H +ATOM 8463 HZ2 LYS D 19 -12.416 43.486 -11.183 1.00 15.00 H +ATOM 8464 HZ3 LYS D 19 -11.675 43.973 -9.740 1.00 15.00 H +ATOM 8465 N LEU D 20 -15.071 39.051 -4.906 1.00 14.24 N +ATOM 8466 CA LEU D 20 -15.958 37.943 -5.198 1.00 17.91 C +ATOM 8467 C LEU D 20 -16.518 38.015 -6.622 1.00 17.47 C +ATOM 8468 O LEU D 20 -16.847 39.095 -7.114 1.00 30.96 O +ATOM 8469 CB LEU D 20 -17.099 37.927 -4.177 1.00 11.62 C +ATOM 8470 CG LEU D 20 -16.673 37.651 -2.739 1.00 11.85 C +ATOM 8471 CD1 LEU D 20 -17.851 37.728 -1.787 1.00 2.00 C +ATOM 8472 CD2 LEU D 20 -16.025 36.270 -2.677 1.00 19.35 C +ATOM 8473 H LEU D 20 -15.437 39.825 -4.452 1.00 15.00 H +ATOM 8474 N SER D 21 -16.609 36.865 -7.278 1.00 9.55 N +ATOM 8475 CA SER D 21 -17.143 36.766 -8.629 1.00 2.00 C +ATOM 8476 C SER D 21 -18.418 35.937 -8.539 1.00 11.26 C +ATOM 8477 O SER D 21 -18.491 34.998 -7.748 1.00 22.53 O +ATOM 8478 CB SER D 21 -16.158 36.046 -9.552 1.00 2.00 C +ATOM 8479 OG SER D 21 -14.876 36.640 -9.497 1.00 18.69 O +ATOM 8480 H SER D 21 -16.311 36.040 -6.830 1.00 15.00 H +ATOM 8481 HG SER D 21 -14.942 37.586 -9.652 1.00 15.00 H +ATOM 8482 N CYS D 22 -19.430 36.294 -9.321 1.00 13.63 N +ATOM 8483 CA CYS D 22 -20.679 35.549 -9.330 1.00 14.12 C +ATOM 8484 C CYS D 22 -21.089 35.214 -10.762 1.00 11.71 C +ATOM 8485 O CYS D 22 -21.976 35.842 -11.334 1.00 6.28 O +ATOM 8486 CB CYS D 22 -21.767 36.328 -8.618 1.00 2.02 C +ATOM 8487 SG CYS D 22 -23.414 35.837 -9.158 1.00 19.58 S +ATOM 8488 H CYS D 22 -19.337 37.075 -9.901 1.00 15.00 H +ATOM 8489 N ALA D 23 -20.383 34.253 -11.353 1.00 8.72 N +ATOM 8490 CA ALA D 23 -20.644 33.829 -12.725 1.00 14.45 C +ATOM 8491 C ALA D 23 -22.088 33.396 -12.881 1.00 23.16 C +ATOM 8492 O ALA D 23 -22.564 32.481 -12.213 1.00 30.52 O +ATOM 8493 CB ALA D 23 -19.723 32.709 -13.125 1.00 12.46 C +ATOM 8494 H ALA D 23 -19.723 33.761 -10.813 1.00 15.00 H +ATOM 8495 N THR D 24 -22.780 34.082 -13.771 1.00 27.20 N +ATOM 8496 CA THR D 24 -24.172 33.819 -14.052 1.00 26.87 C +ATOM 8497 C THR D 24 -24.261 33.210 -15.434 1.00 29.11 C +ATOM 8498 O THR D 24 -23.479 33.572 -16.308 1.00 29.84 O +ATOM 8499 CB THR D 24 -24.922 35.135 -14.079 1.00 29.16 C +ATOM 8500 OG1 THR D 24 -25.075 35.631 -12.746 1.00 45.34 O +ATOM 8501 CG2 THR D 24 -26.255 34.963 -14.721 1.00 39.47 C +ATOM 8502 H THR D 24 -22.357 34.798 -14.284 1.00 15.00 H +ATOM 8503 HG1 THR D 24 -24.233 35.621 -12.273 1.00 15.00 H +ATOM 8504 N SER D 25 -25.215 32.308 -15.640 1.00 30.53 N +ATOM 8505 CA SER D 25 -25.409 31.680 -16.943 1.00 34.95 C +ATOM 8506 C SER D 25 -26.704 30.888 -17.070 1.00 34.78 C +ATOM 8507 O SER D 25 -26.763 29.724 -16.697 1.00 35.72 O +ATOM 8508 CB SER D 25 -24.211 30.791 -17.325 1.00 47.39 C +ATOM 8509 OG SER D 25 -23.135 31.549 -17.883 1.00 63.02 O +ATOM 8510 H SER D 25 -25.773 32.026 -14.882 1.00 15.00 H +ATOM 8511 HG SER D 25 -22.766 32.134 -17.214 1.00 15.00 H +ATOM 8512 N GLY D 26 -27.727 31.538 -17.622 1.00 42.43 N +ATOM 8513 CA GLY D 26 -29.027 30.912 -17.839 1.00 31.78 C +ATOM 8514 C GLY D 26 -30.101 31.908 -18.270 1.00 28.50 C +ATOM 8515 O GLY D 26 -31.291 31.569 -18.375 1.00 20.04 O +ATOM 8516 H GLY D 26 -27.588 32.465 -17.893 1.00 15.00 H +ATOM 8517 N PHE D 27 -29.676 33.146 -18.522 1.00 26.67 N +ATOM 8518 CA PHE D 27 -30.582 34.216 -18.908 1.00 24.64 C +ATOM 8519 C PHE D 27 -29.832 35.441 -19.458 1.00 28.00 C +ATOM 8520 O PHE D 27 -28.606 35.409 -19.635 1.00 43.14 O +ATOM 8521 CB PHE D 27 -31.421 34.620 -17.706 1.00 16.41 C +ATOM 8522 CG PHE D 27 -30.611 35.177 -16.578 1.00 23.92 C +ATOM 8523 CD1 PHE D 27 -30.105 34.348 -15.593 1.00 21.95 C +ATOM 8524 CD2 PHE D 27 -30.366 36.536 -16.489 1.00 28.63 C +ATOM 8525 CE1 PHE D 27 -29.381 34.867 -14.549 1.00 11.28 C +ATOM 8526 CE2 PHE D 27 -29.635 37.055 -15.438 1.00 16.30 C +ATOM 8527 CZ PHE D 27 -29.147 36.225 -14.475 1.00 7.46 C +ATOM 8528 H PHE D 27 -28.736 33.397 -18.506 1.00 15.00 H +ATOM 8529 N THR D 28 -30.567 36.524 -19.691 1.00 18.08 N +ATOM 8530 CA THR D 28 -29.979 37.725 -20.239 1.00 23.18 C +ATOM 8531 C THR D 28 -29.590 38.681 -19.131 1.00 20.88 C +ATOM 8532 O THR D 28 -30.382 39.522 -18.687 1.00 28.22 O +ATOM 8533 CB THR D 28 -30.939 38.396 -21.212 1.00 34.51 C +ATOM 8534 OG1 THR D 28 -31.692 37.384 -21.900 1.00 40.95 O +ATOM 8535 CG2 THR D 28 -30.153 39.224 -22.228 1.00 22.27 C +ATOM 8536 H THR D 28 -31.534 36.527 -19.556 1.00 15.00 H +ATOM 8537 HG1 THR D 28 -32.258 37.803 -22.557 1.00 15.00 H +ATOM 8538 N PHE D 29 -28.352 38.522 -18.691 1.00 8.90 N +ATOM 8539 CA PHE D 29 -27.769 39.302 -17.613 1.00 7.53 C +ATOM 8540 C PHE D 29 -28.137 40.774 -17.696 1.00 8.43 C +ATOM 8541 O PHE D 29 -28.776 41.318 -16.789 1.00 7.49 O +ATOM 8542 CB PHE D 29 -26.243 39.118 -17.638 1.00 17.19 C +ATOM 8543 CG PHE D 29 -25.533 39.605 -16.409 1.00 13.50 C +ATOM 8544 CD1 PHE D 29 -25.892 39.144 -15.145 1.00 24.88 C +ATOM 8545 CD2 PHE D 29 -24.481 40.502 -16.516 1.00 15.10 C +ATOM 8546 CE1 PHE D 29 -25.206 39.568 -14.012 1.00 21.60 C +ATOM 8547 CE2 PHE D 29 -23.789 40.931 -15.391 1.00 15.68 C +ATOM 8548 CZ PHE D 29 -24.151 40.464 -14.138 1.00 23.52 C +ATOM 8549 H PHE D 29 -27.816 37.812 -19.109 1.00 15.00 H +ATOM 8550 N SER D 30 -27.853 41.369 -18.846 1.00 7.32 N +ATOM 8551 CA SER D 30 -28.093 42.786 -19.066 1.00 7.64 C +ATOM 8552 C SER D 30 -29.512 43.263 -18.856 1.00 9.44 C +ATOM 8553 O SER D 30 -29.772 44.463 -18.882 1.00 11.20 O +ATOM 8554 CB SER D 30 -27.605 43.184 -20.459 1.00 13.89 C +ATOM 8555 OG SER D 30 -27.849 42.149 -21.395 1.00 26.81 O +ATOM 8556 H SER D 30 -27.476 40.863 -19.594 1.00 15.00 H +ATOM 8557 HG SER D 30 -27.578 42.464 -22.267 1.00 15.00 H +ATOM 8558 N ASP D 31 -30.423 42.330 -18.613 1.00 11.28 N +ATOM 8559 CA ASP D 31 -31.813 42.677 -18.428 1.00 9.70 C +ATOM 8560 C ASP D 31 -32.260 42.731 -16.988 1.00 15.31 C +ATOM 8561 O ASP D 31 -33.456 42.943 -16.721 1.00 13.49 O +ATOM 8562 CB ASP D 31 -32.687 41.690 -19.188 1.00 23.69 C +ATOM 8563 CG ASP D 31 -32.786 42.008 -20.662 1.00 28.05 C +ATOM 8564 OD1 ASP D 31 -32.130 42.971 -21.142 1.00 33.48 O +ATOM 8565 OD2 ASP D 31 -33.548 41.286 -21.335 1.00 35.05 O +ATOM 8566 H ASP D 31 -30.178 41.396 -18.528 1.00 15.00 H +ATOM 8567 N TYR D 32 -31.322 42.527 -16.062 1.00 16.18 N +ATOM 8568 CA TYR D 32 -31.656 42.533 -14.637 1.00 15.29 C +ATOM 8569 C TYR D 32 -30.676 43.286 -13.743 1.00 17.64 C +ATOM 8570 O TYR D 32 -29.501 43.456 -14.078 1.00 11.08 O +ATOM 8571 CB TYR D 32 -31.761 41.099 -14.114 1.00 4.28 C +ATOM 8572 CG TYR D 32 -32.724 40.217 -14.856 1.00 2.00 C +ATOM 8573 CD1 TYR D 32 -32.343 39.561 -16.035 1.00 2.00 C +ATOM 8574 CD2 TYR D 32 -34.018 40.047 -14.395 1.00 2.00 C +ATOM 8575 CE1 TYR D 32 -33.245 38.763 -16.735 1.00 7.31 C +ATOM 8576 CE2 TYR D 32 -34.930 39.248 -15.083 1.00 2.00 C +ATOM 8577 CZ TYR D 32 -34.545 38.616 -16.245 1.00 9.30 C +ATOM 8578 OH TYR D 32 -35.472 37.843 -16.910 1.00 32.87 O +ATOM 8579 H TYR D 32 -30.380 42.415 -16.318 1.00 15.00 H +ATOM 8580 HH TYR D 32 -35.112 37.544 -17.748 1.00 15.00 H +ATOM 8581 N TYR D 33 -31.189 43.782 -12.620 1.00 24.26 N +ATOM 8582 CA TYR D 33 -30.354 44.455 -11.633 1.00 34.16 C +ATOM 8583 C TYR D 33 -29.881 43.278 -10.785 1.00 35.48 C +ATOM 8584 O TYR D 33 -30.671 42.359 -10.545 1.00 35.23 O +ATOM 8585 CB TYR D 33 -31.191 45.351 -10.726 1.00 44.88 C +ATOM 8586 CG TYR D 33 -32.003 46.420 -11.408 1.00 57.79 C +ATOM 8587 CD1 TYR D 33 -31.549 47.044 -12.566 1.00 66.56 C +ATOM 8588 CD2 TYR D 33 -33.203 46.854 -10.853 1.00 64.76 C +ATOM 8589 CE1 TYR D 33 -32.265 48.078 -13.154 1.00 69.95 C +ATOM 8590 CE2 TYR D 33 -33.928 47.889 -11.428 1.00 74.69 C +ATOM 8591 CZ TYR D 33 -33.453 48.500 -12.579 1.00 75.27 C +ATOM 8592 OH TYR D 33 -34.156 49.544 -13.139 1.00 85.03 O +ATOM 8593 H TYR D 33 -32.141 43.655 -12.466 1.00 15.00 H +ATOM 8594 HH TYR D 33 -34.889 49.786 -12.568 1.00 15.00 H +ATOM 8595 N MET D 34 -28.620 43.264 -10.362 1.00 28.24 N +ATOM 8596 CA MET D 34 -28.141 42.162 -9.528 1.00 16.80 C +ATOM 8597 C MET D 34 -27.956 42.641 -8.097 1.00 16.82 C +ATOM 8598 O MET D 34 -27.991 43.849 -7.839 1.00 17.52 O +ATOM 8599 CB MET D 34 -26.830 41.598 -10.064 1.00 9.05 C +ATOM 8600 CG MET D 34 -26.950 40.979 -11.431 1.00 4.24 C +ATOM 8601 SD MET D 34 -28.094 39.615 -11.451 1.00 12.97 S +ATOM 8602 CE MET D 34 -27.045 38.164 -11.342 1.00 11.34 C +ATOM 8603 H MET D 34 -28.019 44.001 -10.602 1.00 15.00 H +ATOM 8604 N TYR D 35 -27.835 41.704 -7.162 1.00 12.32 N +ATOM 8605 CA TYR D 35 -27.615 42.070 -5.767 1.00 16.94 C +ATOM 8606 C TYR D 35 -26.651 41.128 -5.105 1.00 8.51 C +ATOM 8607 O TYR D 35 -26.379 40.050 -5.609 1.00 12.97 O +ATOM 8608 CB TYR D 35 -28.875 41.979 -4.944 1.00 8.25 C +ATOM 8609 CG TYR D 35 -30.020 42.813 -5.385 1.00 8.78 C +ATOM 8610 CD1 TYR D 35 -30.115 44.148 -5.011 1.00 15.45 C +ATOM 8611 CD2 TYR D 35 -31.116 42.221 -6.013 1.00 16.57 C +ATOM 8612 CE1 TYR D 35 -31.297 44.868 -5.231 1.00 21.76 C +ATOM 8613 CE2 TYR D 35 -32.294 42.924 -6.237 1.00 2.00 C +ATOM 8614 CZ TYR D 35 -32.382 44.236 -5.837 1.00 10.02 C +ATOM 8615 OH TYR D 35 -33.579 44.883 -5.982 1.00 16.71 O +ATOM 8616 H TYR D 35 -27.917 40.754 -7.381 1.00 15.00 H +ATOM 8617 HH TYR D 35 -33.448 45.786 -5.649 1.00 15.00 H +ATOM 8618 N TRP D 36 -26.156 41.544 -3.952 1.00 6.77 N +ATOM 8619 CA TRP D 36 -25.264 40.728 -3.165 1.00 7.24 C +ATOM 8620 C TRP D 36 -25.842 40.829 -1.793 1.00 12.47 C +ATOM 8621 O TRP D 36 -26.153 41.922 -1.330 1.00 27.26 O +ATOM 8622 CB TRP D 36 -23.875 41.304 -3.127 1.00 2.00 C +ATOM 8623 CG TRP D 36 -23.019 40.881 -4.225 1.00 2.41 C +ATOM 8624 CD1 TRP D 36 -22.584 41.650 -5.255 1.00 8.78 C +ATOM 8625 CD2 TRP D 36 -22.426 39.600 -4.401 1.00 6.63 C +ATOM 8626 NE1 TRP D 36 -21.745 40.935 -6.068 1.00 8.48 N +ATOM 8627 CE2 TRP D 36 -21.631 39.666 -5.570 1.00 6.80 C +ATOM 8628 CE3 TRP D 36 -22.480 38.402 -3.687 1.00 9.12 C +ATOM 8629 CZ2 TRP D 36 -20.898 38.577 -6.045 1.00 2.00 C +ATOM 8630 CZ3 TRP D 36 -21.746 37.314 -4.160 1.00 4.51 C +ATOM 8631 CH2 TRP D 36 -20.966 37.413 -5.330 1.00 2.00 C +ATOM 8632 H TRP D 36 -26.421 42.431 -3.623 1.00 15.00 H +ATOM 8633 HE1 TRP D 36 -21.276 41.327 -6.839 1.00 15.00 H +ATOM 8634 N VAL D 37 -26.033 39.695 -1.155 1.00 13.15 N +ATOM 8635 CA VAL D 37 -26.562 39.674 0.188 1.00 18.29 C +ATOM 8636 C VAL D 37 -25.731 38.669 0.951 1.00 24.25 C +ATOM 8637 O VAL D 37 -25.319 37.654 0.396 1.00 23.72 O +ATOM 8638 CB VAL D 37 -28.016 39.247 0.187 1.00 16.19 C +ATOM 8639 CG1 VAL D 37 -28.888 40.437 -0.101 1.00 24.19 C +ATOM 8640 CG2 VAL D 37 -28.237 38.175 -0.864 1.00 8.51 C +ATOM 8641 H VAL D 37 -25.788 38.835 -1.506 1.00 15.00 H +ATOM 8642 N ARG D 38 -25.388 38.990 2.185 1.00 22.95 N +ATOM 8643 CA ARG D 38 -24.609 38.057 2.969 1.00 18.06 C +ATOM 8644 C ARG D 38 -25.464 37.620 4.124 1.00 24.69 C +ATOM 8645 O ARG D 38 -26.444 38.293 4.464 1.00 15.74 O +ATOM 8646 CB ARG D 38 -23.342 38.694 3.503 1.00 15.49 C +ATOM 8647 CG ARG D 38 -23.583 39.820 4.497 1.00 17.34 C +ATOM 8648 CD ARG D 38 -22.257 40.351 4.999 1.00 9.46 C +ATOM 8649 NE ARG D 38 -22.417 41.541 5.821 1.00 8.17 N +ATOM 8650 CZ ARG D 38 -21.484 42.480 5.934 1.00 14.78 C +ATOM 8651 NH1 ARG D 38 -20.338 42.367 5.277 1.00 10.93 N +ATOM 8652 NH2 ARG D 38 -21.679 43.518 6.730 1.00 12.32 N +ATOM 8653 H ARG D 38 -25.692 39.829 2.589 1.00 15.00 H +ATOM 8654 HE ARG D 38 -23.257 41.658 6.314 1.00 15.00 H +ATOM 8655 HH11 ARG D 38 -20.185 41.579 4.691 1.00 15.00 H +ATOM 8656 HH12 ARG D 38 -19.638 43.076 5.363 1.00 15.00 H +ATOM 8657 HH21 ARG D 38 -22.529 43.592 7.249 1.00 15.00 H +ATOM 8658 HH22 ARG D 38 -20.975 44.223 6.811 1.00 15.00 H +ATOM 8659 N GLN D 39 -25.078 36.494 4.724 1.00 33.69 N +ATOM 8660 CA GLN D 39 -25.769 35.907 5.882 1.00 28.43 C +ATOM 8661 C GLN D 39 -24.716 35.517 6.932 1.00 29.02 C +ATOM 8662 O GLN D 39 -23.872 34.645 6.683 1.00 30.29 O +ATOM 8663 CB GLN D 39 -26.537 34.661 5.445 1.00 20.88 C +ATOM 8664 CG GLN D 39 -27.494 34.130 6.482 1.00 10.65 C +ATOM 8665 CD GLN D 39 -28.160 32.859 6.040 1.00 2.00 C +ATOM 8666 OE1 GLN D 39 -27.548 32.016 5.383 1.00 7.30 O +ATOM 8667 NE2 GLN D 39 -29.417 32.709 6.392 1.00 2.11 N +ATOM 8668 H GLN D 39 -24.299 36.019 4.372 1.00 15.00 H +ATOM 8669 HE21 GLN D 39 -29.876 31.902 6.106 1.00 15.00 H +ATOM 8670 HE22 GLN D 39 -29.868 33.392 6.935 1.00 15.00 H +ATOM 8671 N THR D 40 -24.742 36.193 8.078 1.00 26.39 N +ATOM 8672 CA THR D 40 -23.790 35.939 9.163 1.00 38.16 C +ATOM 8673 C THR D 40 -23.794 34.467 9.598 1.00 45.25 C +ATOM 8674 O THR D 40 -24.723 33.726 9.269 1.00 47.65 O +ATOM 8675 CB THR D 40 -24.123 36.816 10.378 1.00 36.76 C +ATOM 8676 OG1 THR D 40 -25.515 36.679 10.697 1.00 41.66 O +ATOM 8677 CG2 THR D 40 -23.816 38.272 10.082 1.00 43.17 C +ATOM 8678 H THR D 40 -25.446 36.864 8.169 1.00 15.00 H +ATOM 8679 HG1 THR D 40 -26.045 36.948 9.932 1.00 15.00 H +ATOM 8680 N PRO D 41 -22.744 34.009 10.317 1.00 47.90 N +ATOM 8681 CA PRO D 41 -22.746 32.602 10.741 1.00 47.66 C +ATOM 8682 C PRO D 41 -23.886 32.392 11.736 1.00 47.00 C +ATOM 8683 O PRO D 41 -24.292 31.262 12.003 1.00 42.05 O +ATOM 8684 CB PRO D 41 -21.380 32.446 11.409 1.00 47.19 C +ATOM 8685 CG PRO D 41 -20.531 33.434 10.677 1.00 45.28 C +ATOM 8686 CD PRO D 41 -21.450 34.634 10.636 1.00 44.05 C +ATOM 8687 N GLU D 42 -24.386 33.509 12.272 1.00 46.36 N +ATOM 8688 CA GLU D 42 -25.493 33.528 13.223 1.00 49.74 C +ATOM 8689 C GLU D 42 -26.852 33.417 12.504 1.00 46.50 C +ATOM 8690 O GLU D 42 -27.903 33.379 13.145 1.00 46.56 O +ATOM 8691 CB GLU D 42 -25.439 34.812 14.073 1.00 62.54 C +ATOM 8692 CG GLU D 42 -24.458 34.791 15.263 1.00 66.94 C +ATOM 8693 CD GLU D 42 -22.986 34.839 14.864 1.00 72.79 C +ATOM 8694 OE1 GLU D 42 -22.483 35.945 14.564 1.00 72.58 O +ATOM 8695 OE2 GLU D 42 -22.322 33.777 14.881 1.00 74.81 O +ATOM 8696 H GLU D 42 -23.991 34.370 12.046 1.00 15.00 H +ATOM 8697 N LYS D 43 -26.809 33.418 11.171 1.00 46.12 N +ATOM 8698 CA LYS D 43 -27.974 33.287 10.280 1.00 44.01 C +ATOM 8699 C LYS D 43 -28.812 34.504 9.873 1.00 43.65 C +ATOM 8700 O LYS D 43 -29.751 34.381 9.079 1.00 39.63 O +ATOM 8701 CB LYS D 43 -28.868 32.112 10.698 1.00 38.72 C +ATOM 8702 CG LYS D 43 -28.105 30.781 10.765 1.00 41.24 C +ATOM 8703 CD LYS D 43 -27.114 30.641 9.604 1.00 47.57 C +ATOM 8704 CE LYS D 43 -26.032 29.600 9.872 1.00 53.84 C +ATOM 8705 NZ LYS D 43 -24.929 29.675 8.860 1.00 63.09 N +ATOM 8706 H LYS D 43 -25.943 33.481 10.731 1.00 15.00 H +ATOM 8707 HZ1 LYS D 43 -24.515 30.630 8.853 1.00 15.00 H +ATOM 8708 HZ2 LYS D 43 -24.192 28.977 9.086 1.00 15.00 H +ATOM 8709 HZ3 LYS D 43 -25.326 29.462 7.921 1.00 15.00 H +ATOM 8710 N ARG D 44 -28.465 35.682 10.374 1.00 42.69 N +ATOM 8711 CA ARG D 44 -29.190 36.888 9.991 1.00 45.46 C +ATOM 8712 C ARG D 44 -28.694 37.218 8.581 1.00 39.91 C +ATOM 8713 O ARG D 44 -27.525 36.969 8.260 1.00 39.99 O +ATOM 8714 CB ARG D 44 -28.886 38.023 10.979 1.00 52.93 C +ATOM 8715 CG ARG D 44 -29.169 39.440 10.485 1.00 65.65 C +ATOM 8716 CD ARG D 44 -28.898 40.472 11.598 1.00 86.53 C +ATOM 8717 NE ARG D 44 -28.348 41.749 11.117 1.00 96.37 N +ATOM 8718 CZ ARG D 44 -29.071 42.818 10.768 1.00 97.84 C +ATOM 8719 NH1 ARG D 44 -30.401 42.793 10.831 1.00 97.82 N +ATOM 8720 NH2 ARG D 44 -28.456 43.929 10.368 1.00 89.86 N +ATOM 8721 H ARG D 44 -27.715 35.734 10.999 1.00 15.00 H +ATOM 8722 HE ARG D 44 -27.374 41.818 11.045 1.00 15.00 H +ATOM 8723 HH11 ARG D 44 -30.878 41.972 11.144 1.00 15.00 H +ATOM 8724 HH12 ARG D 44 -30.924 43.603 10.567 1.00 15.00 H +ATOM 8725 HH21 ARG D 44 -27.457 43.955 10.333 1.00 15.00 H +ATOM 8726 HH22 ARG D 44 -28.989 44.734 10.108 1.00 15.00 H +ATOM 8727 N LEU D 45 -29.593 37.684 7.719 1.00 28.16 N +ATOM 8728 CA LEU D 45 -29.230 38.037 6.350 1.00 12.92 C +ATOM 8729 C LEU D 45 -29.176 39.543 6.222 1.00 18.91 C +ATOM 8730 O LEU D 45 -30.008 40.262 6.792 1.00 19.83 O +ATOM 8731 CB LEU D 45 -30.243 37.491 5.370 1.00 5.28 C +ATOM 8732 CG LEU D 45 -30.243 35.982 5.189 1.00 11.82 C +ATOM 8733 CD1 LEU D 45 -31.656 35.487 5.196 1.00 7.19 C +ATOM 8734 CD2 LEU D 45 -29.572 35.610 3.899 1.00 2.00 C +ATOM 8735 H LEU D 45 -30.518 37.840 8.000 1.00 15.00 H +ATOM 8736 N GLU D 46 -28.209 40.024 5.457 1.00 14.20 N +ATOM 8737 CA GLU D 46 -28.040 41.445 5.284 1.00 17.61 C +ATOM 8738 C GLU D 46 -27.848 41.753 3.813 1.00 18.98 C +ATOM 8739 O GLU D 46 -27.115 41.063 3.086 1.00 25.04 O +ATOM 8740 CB GLU D 46 -26.859 41.936 6.126 1.00 28.03 C +ATOM 8741 CG GLU D 46 -26.776 43.453 6.302 1.00 50.74 C +ATOM 8742 CD GLU D 46 -25.753 43.880 7.355 1.00 60.44 C +ATOM 8743 OE1 GLU D 46 -24.970 43.021 7.825 1.00 63.48 O +ATOM 8744 OE2 GLU D 46 -25.741 45.079 7.717 1.00 59.81 O +ATOM 8745 H GLU D 46 -27.639 39.447 4.943 1.00 15.00 H +ATOM 8746 N TRP D 47 -28.595 42.745 3.364 1.00 12.98 N +ATOM 8747 CA TRP D 47 -28.537 43.176 1.999 1.00 9.43 C +ATOM 8748 C TRP D 47 -27.228 43.910 1.852 1.00 13.57 C +ATOM 8749 O TRP D 47 -26.903 44.772 2.666 1.00 17.53 O +ATOM 8750 CB TRP D 47 -29.683 44.120 1.738 1.00 21.63 C +ATOM 8751 CG TRP D 47 -29.721 44.522 0.349 1.00 27.88 C +ATOM 8752 CD1 TRP D 47 -30.072 43.752 -0.713 1.00 21.97 C +ATOM 8753 CD2 TRP D 47 -29.349 45.793 -0.170 1.00 21.78 C +ATOM 8754 NE1 TRP D 47 -29.935 44.471 -1.873 1.00 34.36 N +ATOM 8755 CE2 TRP D 47 -29.491 45.730 -1.564 1.00 23.07 C +ATOM 8756 CE3 TRP D 47 -28.908 46.982 0.409 1.00 16.46 C +ATOM 8757 CZ2 TRP D 47 -29.208 46.809 -2.386 1.00 22.02 C +ATOM 8758 CZ3 TRP D 47 -28.629 48.054 -0.407 1.00 13.76 C +ATOM 8759 CH2 TRP D 47 -28.778 47.961 -1.790 1.00 19.94 C +ATOM 8760 H TRP D 47 -29.177 43.224 3.987 1.00 15.00 H +ATOM 8761 HE1 TRP D 47 -30.118 44.117 -2.763 1.00 15.00 H +ATOM 8762 N VAL D 48 -26.484 43.609 0.804 1.00 13.28 N +ATOM 8763 CA VAL D 48 -25.199 44.251 0.655 1.00 10.38 C +ATOM 8764 C VAL D 48 -25.098 45.298 -0.440 1.00 20.98 C +ATOM 8765 O VAL D 48 -24.508 46.353 -0.218 1.00 20.39 O +ATOM 8766 CB VAL D 48 -24.080 43.210 0.471 1.00 11.45 C +ATOM 8767 CG1 VAL D 48 -22.732 43.873 0.539 1.00 12.27 C +ATOM 8768 CG2 VAL D 48 -24.179 42.140 1.543 1.00 16.99 C +ATOM 8769 H VAL D 48 -26.798 42.967 0.140 1.00 15.00 H +ATOM 8770 N ALA D 49 -25.675 45.048 -1.611 1.00 25.45 N +ATOM 8771 CA ALA D 49 -25.545 46.028 -2.679 1.00 23.79 C +ATOM 8772 C ALA D 49 -26.481 45.825 -3.853 1.00 25.81 C +ATOM 8773 O ALA D 49 -26.998 44.724 -4.069 1.00 22.51 O +ATOM 8774 CB ALA D 49 -24.091 46.060 -3.172 1.00 18.89 C +ATOM 8775 H ALA D 49 -26.195 44.231 -1.768 1.00 15.00 H +ATOM 8776 N TYR D 50 -26.620 46.892 -4.641 1.00 28.63 N +ATOM 8777 CA TYR D 50 -27.473 46.942 -5.827 1.00 28.76 C +ATOM 8778 C TYR D 50 -26.762 47.628 -6.994 1.00 25.02 C +ATOM 8779 O TYR D 50 -26.085 48.630 -6.787 1.00 34.28 O +ATOM 8780 CB TYR D 50 -28.746 47.733 -5.496 1.00 26.46 C +ATOM 8781 CG TYR D 50 -29.456 48.301 -6.696 1.00 40.37 C +ATOM 8782 CD1 TYR D 50 -30.148 47.475 -7.576 1.00 51.92 C +ATOM 8783 CD2 TYR D 50 -29.377 49.659 -6.994 1.00 49.05 C +ATOM 8784 CE1 TYR D 50 -30.738 47.986 -8.730 1.00 57.19 C +ATOM 8785 CE2 TYR D 50 -29.964 50.179 -8.148 1.00 58.15 C +ATOM 8786 CZ TYR D 50 -30.640 49.336 -9.013 1.00 56.58 C +ATOM 8787 OH TYR D 50 -31.195 49.835 -10.170 1.00 55.54 O +ATOM 8788 H TYR D 50 -26.118 47.707 -4.422 1.00 15.00 H +ATOM 8789 HH TYR D 50 -31.724 49.149 -10.577 1.00 15.00 H +ATOM 8790 N ILE D 51 -26.953 47.128 -8.213 1.00 22.59 N +ATOM 8791 CA ILE D 51 -26.357 47.746 -9.402 1.00 18.50 C +ATOM 8792 C ILE D 51 -27.221 47.572 -10.672 1.00 21.89 C +ATOM 8793 O ILE D 51 -27.521 46.451 -11.091 1.00 25.49 O +ATOM 8794 CB ILE D 51 -24.936 47.228 -9.653 1.00 11.59 C +ATOM 8795 CG1 ILE D 51 -24.233 48.122 -10.673 1.00 19.43 C +ATOM 8796 CG2 ILE D 51 -24.971 45.802 -10.147 1.00 8.34 C +ATOM 8797 CD1 ILE D 51 -22.818 47.696 -11.004 1.00 10.04 C +ATOM 8798 H ILE D 51 -27.498 46.318 -8.323 1.00 15.00 H +ATOM 8799 N SER D 52 -27.629 48.694 -11.261 1.00 23.85 N +ATOM 8800 CA SER D 52 -28.466 48.726 -12.467 1.00 15.48 C +ATOM 8801 C SER D 52 -27.839 47.996 -13.663 1.00 12.57 C +ATOM 8802 O SER D 52 -26.625 47.932 -13.769 1.00 17.33 O +ATOM 8803 CB SER D 52 -28.773 50.188 -12.831 1.00 18.25 C +ATOM 8804 OG SER D 52 -27.596 50.915 -13.177 1.00 24.01 O +ATOM 8805 H SER D 52 -27.337 49.544 -10.866 1.00 15.00 H +ATOM 8806 HG SER D 52 -27.907 51.815 -13.339 1.00 15.00 H +ATOM 8807 N ASN D 52A -28.676 47.497 -14.577 1.00 13.36 N +ATOM 8808 CA ASN D 52A -28.243 46.755 -15.782 1.00 13.77 C +ATOM 8809 C ASN D 52A -27.000 47.323 -16.417 1.00 13.63 C +ATOM 8810 O ASN D 52A -26.204 46.593 -17.009 1.00 4.64 O +ATOM 8811 CB ASN D 52A -29.290 46.793 -16.905 1.00 12.41 C +ATOM 8812 CG ASN D 52A -30.688 46.517 -16.436 1.00 31.39 C +ATOM 8813 OD1 ASN D 52A -31.183 45.401 -16.554 1.00 34.21 O +ATOM 8814 ND2 ASN D 52A -31.367 47.557 -15.955 1.00 35.87 N +ATOM 8815 H ASN D 52A -29.633 47.609 -14.430 1.00 15.00 H +ATOM 8816 HD21 ASN D 52A -32.291 47.356 -15.690 1.00 15.00 H +ATOM 8817 HD22 ASN D 52A -30.967 48.443 -15.911 1.00 15.00 H +ATOM 8818 N GLY D 53 -26.944 48.651 -16.449 1.00 21.89 N +ATOM 8819 CA GLY D 53 -25.821 49.338 -17.056 1.00 29.36 C +ATOM 8820 C GLY D 53 -24.606 49.426 -16.167 1.00 29.04 C +ATOM 8821 O GLY D 53 -23.485 49.313 -16.658 1.00 26.94 O +ATOM 8822 H GLY D 53 -27.674 49.164 -16.055 1.00 15.00 H +ATOM 8823 N GLY D 54 -24.842 49.635 -14.871 1.00 31.62 N +ATOM 8824 CA GLY D 54 -23.764 49.749 -13.903 1.00 25.77 C +ATOM 8825 C GLY D 54 -23.479 51.186 -13.510 1.00 28.80 C +ATOM 8826 O GLY D 54 -22.421 51.498 -12.951 1.00 33.50 O +ATOM 8827 H GLY D 54 -25.761 49.646 -14.544 1.00 15.00 H +ATOM 8828 N GLY D 55 -24.440 52.065 -13.771 1.00 28.79 N +ATOM 8829 CA GLY D 55 -24.250 53.467 -13.460 1.00 25.56 C +ATOM 8830 C GLY D 55 -25.007 53.917 -12.242 1.00 24.36 C +ATOM 8831 O GLY D 55 -25.018 55.099 -11.922 1.00 35.40 O +ATOM 8832 H GLY D 55 -25.273 51.757 -14.169 1.00 15.00 H +ATOM 8833 N SER D 56 -25.673 52.987 -11.577 1.00 23.20 N +ATOM 8834 CA SER D 56 -26.426 53.332 -10.386 1.00 22.52 C +ATOM 8835 C SER D 56 -26.211 52.237 -9.359 1.00 21.43 C +ATOM 8836 O SER D 56 -26.579 51.076 -9.578 1.00 22.55 O +ATOM 8837 CB SER D 56 -27.910 53.492 -10.714 1.00 26.35 C +ATOM 8838 OG SER D 56 -28.485 54.505 -9.909 1.00 27.61 O +ATOM 8839 H SER D 56 -25.656 52.049 -11.853 1.00 15.00 H +ATOM 8840 HG SER D 56 -29.441 54.549 -9.995 1.00 15.00 H +ATOM 8841 N THR D 57 -25.571 52.615 -8.259 1.00 18.13 N +ATOM 8842 CA THR D 57 -25.259 51.698 -7.172 1.00 14.67 C +ATOM 8843 C THR D 57 -25.825 52.195 -5.873 1.00 18.71 C +ATOM 8844 O THR D 57 -25.978 53.405 -5.677 1.00 19.00 O +ATOM 8845 CB THR D 57 -23.764 51.607 -6.943 1.00 9.18 C +ATOM 8846 OG1 THR D 57 -23.242 52.919 -6.663 1.00 6.50 O +ATOM 8847 CG2 THR D 57 -23.084 51.035 -8.160 1.00 10.32 C +ATOM 8848 H THR D 57 -25.324 53.546 -8.144 1.00 15.00 H +ATOM 8849 HG1 THR D 57 -23.903 53.482 -6.233 1.00 15.00 H +ATOM 8850 N TYR D 58 -26.059 51.261 -4.962 1.00 19.53 N +ATOM 8851 CA TYR D 58 -26.563 51.585 -3.641 1.00 17.23 C +ATOM 8852 C TYR D 58 -25.942 50.561 -2.710 1.00 21.89 C +ATOM 8853 O TYR D 58 -25.803 49.386 -3.081 1.00 17.31 O +ATOM 8854 CB TYR D 58 -28.084 51.511 -3.585 1.00 11.00 C +ATOM 8855 CG TYR D 58 -28.671 52.441 -2.550 1.00 34.85 C +ATOM 8856 CD1 TYR D 58 -28.703 52.091 -1.201 1.00 41.29 C +ATOM 8857 CD2 TYR D 58 -29.162 53.694 -2.914 1.00 50.39 C +ATOM 8858 CE1 TYR D 58 -29.207 52.973 -0.234 1.00 52.03 C +ATOM 8859 CE2 TYR D 58 -29.669 54.585 -1.956 1.00 57.63 C +ATOM 8860 CZ TYR D 58 -29.688 54.220 -0.618 1.00 56.30 C +ATOM 8861 OH TYR D 58 -30.175 55.103 0.328 1.00 52.21 O +ATOM 8862 H TYR D 58 -25.889 50.316 -5.176 1.00 15.00 H +ATOM 8863 HH TYR D 58 -30.158 54.683 1.194 1.00 15.00 H +ATOM 8864 N TYR D 59 -25.538 51.029 -1.525 1.00 26.25 N +ATOM 8865 CA TYR D 59 -24.901 50.201 -0.493 1.00 22.41 C +ATOM 8866 C TYR D 59 -25.446 50.561 0.898 1.00 18.42 C +ATOM 8867 O TYR D 59 -25.966 51.658 1.089 1.00 26.02 O +ATOM 8868 CB TYR D 59 -23.385 50.466 -0.487 1.00 18.60 C +ATOM 8869 CG TYR D 59 -22.671 50.297 -1.813 1.00 10.08 C +ATOM 8870 CD1 TYR D 59 -22.531 51.371 -2.683 1.00 17.68 C +ATOM 8871 CD2 TYR D 59 -22.114 49.075 -2.182 1.00 11.78 C +ATOM 8872 CE1 TYR D 59 -21.855 51.241 -3.892 1.00 25.85 C +ATOM 8873 CE2 TYR D 59 -21.431 48.926 -3.400 1.00 26.67 C +ATOM 8874 CZ TYR D 59 -21.308 50.017 -4.250 1.00 30.03 C +ATOM 8875 OH TYR D 59 -20.669 49.893 -5.466 1.00 27.11 O +ATOM 8876 H TYR D 59 -25.695 51.966 -1.277 1.00 15.00 H +ATOM 8877 HH TYR D 59 -20.701 50.734 -5.939 1.00 15.00 H +ATOM 8878 N PRO D 60 -25.424 49.618 1.862 1.00 20.41 N +ATOM 8879 CA PRO D 60 -25.929 49.974 3.197 1.00 18.33 C +ATOM 8880 C PRO D 60 -24.807 50.732 3.902 1.00 25.15 C +ATOM 8881 O PRO D 60 -23.656 50.684 3.451 1.00 30.23 O +ATOM 8882 CB PRO D 60 -26.167 48.611 3.859 1.00 11.55 C +ATOM 8883 CG PRO D 60 -26.407 47.708 2.725 1.00 15.01 C +ATOM 8884 CD PRO D 60 -25.349 48.158 1.728 1.00 12.31 C +ATOM 8885 N ASP D 61 -25.110 51.410 5.005 1.00 30.06 N +ATOM 8886 CA ASP D 61 -24.069 52.156 5.702 1.00 33.04 C +ATOM 8887 C ASP D 61 -22.954 51.288 6.249 1.00 35.74 C +ATOM 8888 O ASP D 61 -21.796 51.697 6.278 1.00 42.85 O +ATOM 8889 CB ASP D 61 -24.657 53.030 6.791 1.00 28.01 C +ATOM 8890 CG ASP D 61 -25.242 54.297 6.237 1.00 42.26 C +ATOM 8891 OD1 ASP D 61 -24.495 55.019 5.545 1.00 40.44 O +ATOM 8892 OD2 ASP D 61 -26.443 54.562 6.469 1.00 56.55 O +ATOM 8893 H ASP D 61 -26.028 51.425 5.336 1.00 15.00 H +ATOM 8894 N THR D 62 -23.291 50.064 6.618 1.00 28.08 N +ATOM 8895 CA THR D 62 -22.307 49.139 7.145 1.00 18.71 C +ATOM 8896 C THR D 62 -21.162 48.778 6.171 1.00 25.59 C +ATOM 8897 O THR D 62 -20.111 48.310 6.618 1.00 23.21 O +ATOM 8898 CB THR D 62 -23.005 47.860 7.656 1.00 16.96 C +ATOM 8899 OG1 THR D 62 -24.230 47.663 6.943 1.00 24.41 O +ATOM 8900 CG2 THR D 62 -23.339 47.979 9.119 1.00 25.97 C +ATOM 8901 H THR D 62 -24.205 49.733 6.552 1.00 15.00 H +ATOM 8902 HG1 THR D 62 -24.631 46.842 7.247 1.00 15.00 H +ATOM 8903 N VAL D 63 -21.359 48.969 4.861 1.00 28.91 N +ATOM 8904 CA VAL D 63 -20.313 48.654 3.858 1.00 37.09 C +ATOM 8905 C VAL D 63 -19.981 49.782 2.866 1.00 31.86 C +ATOM 8906 O VAL D 63 -19.110 49.628 1.988 1.00 35.16 O +ATOM 8907 CB VAL D 63 -20.615 47.360 3.024 1.00 37.41 C +ATOM 8908 CG1 VAL D 63 -20.411 46.123 3.855 1.00 32.68 C +ATOM 8909 CG2 VAL D 63 -22.022 47.392 2.488 1.00 45.22 C +ATOM 8910 H VAL D 63 -22.212 49.339 4.555 1.00 15.00 H +ATOM 8911 N LYS D 64 -20.672 50.905 3.015 1.00 17.22 N +ATOM 8912 CA LYS D 64 -20.478 52.069 2.174 1.00 10.43 C +ATOM 8913 C LYS D 64 -19.021 52.517 2.133 1.00 11.15 C +ATOM 8914 O LYS D 64 -18.454 52.920 3.147 1.00 12.84 O +ATOM 8915 CB LYS D 64 -21.369 53.207 2.686 1.00 23.14 C +ATOM 8916 CG LYS D 64 -21.363 54.435 1.801 1.00 34.76 C +ATOM 8917 CD LYS D 64 -22.667 55.220 1.883 1.00 37.58 C +ATOM 8918 CE LYS D 64 -22.560 56.508 1.073 1.00 52.76 C +ATOM 8919 NZ LYS D 64 -22.032 56.278 -0.321 1.00 62.45 N +ATOM 8920 H LYS D 64 -21.323 50.977 3.742 1.00 15.00 H +ATOM 8921 HZ1 LYS D 64 -22.657 55.617 -0.827 1.00 15.00 H +ATOM 8922 HZ2 LYS D 64 -22.018 57.185 -0.828 1.00 15.00 H +ATOM 8923 HZ3 LYS D 64 -21.068 55.891 -0.282 1.00 15.00 H +ATOM 8924 N GLY D 65 -18.410 52.396 0.959 1.00 19.55 N +ATOM 8925 CA GLY D 65 -17.024 52.801 0.786 1.00 22.55 C +ATOM 8926 C GLY D 65 -16.071 51.639 0.590 1.00 27.68 C +ATOM 8927 O GLY D 65 -15.236 51.610 -0.337 1.00 38.44 O +ATOM 8928 H GLY D 65 -18.887 52.010 0.192 1.00 15.00 H +ATOM 8929 N ARG D 66 -16.202 50.651 1.457 1.00 14.68 N +ATOM 8930 CA ARG D 66 -15.333 49.505 1.363 1.00 11.37 C +ATOM 8931 C ARG D 66 -15.703 48.579 0.221 1.00 13.44 C +ATOM 8932 O ARG D 66 -14.826 47.964 -0.376 1.00 20.63 O +ATOM 8933 CB ARG D 66 -15.350 48.751 2.669 1.00 18.37 C +ATOM 8934 CG ARG D 66 -15.218 49.645 3.858 1.00 4.03 C +ATOM 8935 CD ARG D 66 -14.726 48.851 5.026 1.00 9.11 C +ATOM 8936 NE ARG D 66 -15.588 47.724 5.398 1.00 5.06 N +ATOM 8937 CZ ARG D 66 -16.830 47.854 5.858 1.00 17.88 C +ATOM 8938 NH1 ARG D 66 -17.379 49.069 5.976 1.00 4.57 N +ATOM 8939 NH2 ARG D 66 -17.459 46.787 6.350 1.00 12.79 N +ATOM 8940 H ARG D 66 -16.909 50.701 2.134 1.00 15.00 H +ATOM 8941 HE ARG D 66 -15.224 46.816 5.312 1.00 15.00 H +ATOM 8942 HH11 ARG D 66 -16.866 49.889 5.727 1.00 15.00 H +ATOM 8943 HH12 ARG D 66 -18.312 49.156 6.322 1.00 15.00 H +ATOM 8944 HH21 ARG D 66 -16.992 45.912 6.376 1.00 15.00 H +ATOM 8945 HH22 ARG D 66 -18.392 46.865 6.702 1.00 15.00 H +ATOM 8946 N PHE D 67 -16.995 48.442 -0.062 1.00 14.30 N +ATOM 8947 CA PHE D 67 -17.429 47.567 -1.146 1.00 12.75 C +ATOM 8948 C PHE D 67 -17.931 48.347 -2.330 1.00 18.07 C +ATOM 8949 O PHE D 67 -18.518 49.417 -2.182 1.00 27.32 O +ATOM 8950 CB PHE D 67 -18.600 46.701 -0.728 1.00 20.22 C +ATOM 8951 CG PHE D 67 -18.320 45.806 0.408 1.00 30.72 C +ATOM 8952 CD1 PHE D 67 -17.168 45.942 1.162 1.00 30.61 C +ATOM 8953 CD2 PHE D 67 -19.229 44.825 0.739 1.00 30.46 C +ATOM 8954 CE1 PHE D 67 -16.929 45.118 2.227 1.00 28.34 C +ATOM 8955 CE2 PHE D 67 -18.998 43.994 1.800 1.00 33.20 C +ATOM 8956 CZ PHE D 67 -17.844 44.139 2.550 1.00 33.33 C +ATOM 8957 H PHE D 67 -17.678 48.940 0.440 1.00 15.00 H +ATOM 8958 N THR D 68 -17.719 47.787 -3.508 1.00 9.69 N +ATOM 8959 CA THR D 68 -18.224 48.374 -4.727 1.00 9.33 C +ATOM 8960 C THR D 68 -18.584 47.179 -5.591 1.00 8.10 C +ATOM 8961 O THR D 68 -17.808 46.225 -5.724 1.00 10.16 O +ATOM 8962 CB THR D 68 -17.222 49.304 -5.449 1.00 2.14 C +ATOM 8963 OG1 THR D 68 -16.101 48.553 -5.892 1.00 15.36 O +ATOM 8964 CG2 THR D 68 -16.760 50.419 -4.532 1.00 13.20 C +ATOM 8965 H THR D 68 -17.211 46.952 -3.568 1.00 15.00 H +ATOM 8966 HG1 THR D 68 -15.650 48.255 -5.093 1.00 15.00 H +ATOM 8967 N ILE D 69 -19.828 47.159 -6.038 1.00 8.37 N +ATOM 8968 CA ILE D 69 -20.298 46.084 -6.878 1.00 2.00 C +ATOM 8969 C ILE D 69 -20.138 46.520 -8.296 1.00 3.13 C +ATOM 8970 O ILE D 69 -20.236 47.699 -8.607 1.00 2.84 O +ATOM 8971 CB ILE D 69 -21.731 45.786 -6.627 1.00 2.00 C +ATOM 8972 CG1 ILE D 69 -22.227 44.805 -7.668 1.00 2.00 C +ATOM 8973 CG2 ILE D 69 -22.515 47.074 -6.498 1.00 2.00 C +ATOM 8974 CD1 ILE D 69 -23.503 44.173 -7.281 1.00 2.00 C +ATOM 8975 H ILE D 69 -20.397 47.935 -5.847 1.00 15.00 H +ATOM 8976 N SER D 70 -19.845 45.574 -9.163 1.00 9.40 N +ATOM 8977 CA SER D 70 -19.663 45.917 -10.552 1.00 14.68 C +ATOM 8978 C SER D 70 -20.055 44.712 -11.367 1.00 12.87 C +ATOM 8979 O SER D 70 -20.272 43.638 -10.816 1.00 30.90 O +ATOM 8980 CB SER D 70 -18.207 46.302 -10.803 1.00 14.75 C +ATOM 8981 OG SER D 70 -17.397 45.140 -10.882 1.00 37.04 O +ATOM 8982 H SER D 70 -19.758 44.634 -8.896 1.00 15.00 H +ATOM 8983 HG SER D 70 -16.483 45.403 -10.711 1.00 15.00 H +ATOM 8984 N ARG D 71 -20.142 44.882 -12.675 1.00 15.81 N +ATOM 8985 CA ARG D 71 -20.534 43.791 -13.543 1.00 7.92 C +ATOM 8986 C ARG D 71 -19.807 43.894 -14.851 1.00 2.87 C +ATOM 8987 O ARG D 71 -19.273 44.942 -15.209 1.00 9.25 O +ATOM 8988 CB ARG D 71 -22.030 43.870 -13.802 1.00 12.23 C +ATOM 8989 CG ARG D 71 -22.477 45.207 -14.378 1.00 4.15 C +ATOM 8990 CD ARG D 71 -23.980 45.363 -14.262 1.00 10.95 C +ATOM 8991 NE ARG D 71 -24.721 44.214 -14.783 1.00 2.00 N +ATOM 8992 CZ ARG D 71 -26.022 44.037 -14.592 1.00 3.95 C +ATOM 8993 NH1 ARG D 71 -26.707 44.926 -13.875 1.00 2.00 N +ATOM 8994 NH2 ARG D 71 -26.635 42.974 -15.105 1.00 2.00 N +ATOM 8995 H ARG D 71 -19.924 45.731 -13.103 1.00 15.00 H +ATOM 8996 HE ARG D 71 -24.233 43.528 -15.276 1.00 15.00 H +ATOM 8997 HH11 ARG D 71 -26.247 45.722 -13.484 1.00 15.00 H +ATOM 8998 HH12 ARG D 71 -27.689 44.796 -13.729 1.00 15.00 H +ATOM 8999 HH21 ARG D 71 -26.118 42.315 -15.649 1.00 15.00 H +ATOM 9000 HH22 ARG D 71 -27.620 42.847 -14.966 1.00 15.00 H +ATOM 9001 N ASP D 72 -19.801 42.793 -15.571 1.00 10.25 N +ATOM 9002 CA ASP D 72 -19.159 42.716 -16.870 1.00 10.57 C +ATOM 9003 C ASP D 72 -20.159 41.942 -17.718 1.00 16.21 C +ATOM 9004 O ASP D 72 -20.048 40.724 -17.901 1.00 10.57 O +ATOM 9005 CB ASP D 72 -17.839 41.975 -16.743 1.00 2.00 C +ATOM 9006 CG ASP D 72 -17.192 41.732 -18.066 1.00 23.66 C +ATOM 9007 OD1 ASP D 72 -17.663 40.836 -18.779 1.00 22.28 O +ATOM 9008 OD2 ASP D 72 -16.217 42.433 -18.408 1.00 40.57 O +ATOM 9009 H ASP D 72 -20.232 41.982 -15.214 1.00 15.00 H +ATOM 9010 N ASN D 73 -21.191 42.658 -18.158 1.00 19.39 N +ATOM 9011 CA ASN D 73 -22.257 42.078 -18.964 1.00 7.92 C +ATOM 9012 C ASN D 73 -21.697 41.312 -20.153 1.00 17.63 C +ATOM 9013 O ASN D 73 -22.258 40.306 -20.573 1.00 16.12 O +ATOM 9014 CB ASN D 73 -23.223 43.163 -19.399 1.00 8.60 C +ATOM 9015 CG ASN D 73 -23.834 43.899 -18.214 1.00 20.03 C +ATOM 9016 OD1 ASN D 73 -24.079 43.303 -17.171 1.00 20.40 O +ATOM 9017 ND2 ASN D 73 -24.048 45.200 -18.358 1.00 15.46 N +ATOM 9018 H ASN D 73 -21.233 43.600 -17.881 1.00 15.00 H +ATOM 9019 HD21 ASN D 73 -24.474 45.650 -17.585 1.00 15.00 H +ATOM 9020 HD22 ASN D 73 -23.788 45.643 -19.182 1.00 15.00 H +ATOM 9021 N ALA D 74 -20.531 41.727 -20.630 1.00 25.43 N +ATOM 9022 CA ALA D 74 -19.891 41.038 -21.742 1.00 29.39 C +ATOM 9023 C ALA D 74 -19.514 39.583 -21.398 1.00 34.57 C +ATOM 9024 O ALA D 74 -19.368 38.757 -22.298 1.00 36.66 O +ATOM 9025 CB ALA D 74 -18.664 41.808 -22.180 1.00 30.51 C +ATOM 9026 H ALA D 74 -20.092 42.504 -20.243 1.00 15.00 H +ATOM 9027 N LYS D 75 -19.349 39.281 -20.106 1.00 33.53 N +ATOM 9028 CA LYS D 75 -18.987 37.934 -19.656 1.00 36.10 C +ATOM 9029 C LYS D 75 -20.023 37.307 -18.738 1.00 38.84 C +ATOM 9030 O LYS D 75 -19.798 36.224 -18.192 1.00 43.35 O +ATOM 9031 CB LYS D 75 -17.641 37.924 -18.930 1.00 44.97 C +ATOM 9032 CG LYS D 75 -16.404 37.933 -19.819 1.00 63.51 C +ATOM 9033 CD LYS D 75 -15.116 37.914 -18.974 1.00 71.70 C +ATOM 9034 CE LYS D 75 -13.848 37.867 -19.835 1.00 75.48 C +ATOM 9035 NZ LYS D 75 -12.599 37.941 -19.019 1.00 75.63 N +ATOM 9036 H LYS D 75 -19.491 39.971 -19.448 1.00 15.00 H +ATOM 9037 HZ1 LYS D 75 -12.556 37.151 -18.343 1.00 15.00 H +ATOM 9038 HZ2 LYS D 75 -11.775 37.906 -19.653 1.00 15.00 H +ATOM 9039 HZ3 LYS D 75 -12.586 38.837 -18.489 1.00 15.00 H +ATOM 9040 N ASN D 76 -21.127 38.012 -18.512 1.00 38.32 N +ATOM 9041 CA ASN D 76 -22.215 37.512 -17.667 1.00 35.84 C +ATOM 9042 C ASN D 76 -21.902 37.503 -16.173 1.00 28.92 C +ATOM 9043 O ASN D 76 -22.792 37.274 -15.361 1.00 41.39 O +ATOM 9044 CB ASN D 76 -22.622 36.073 -18.062 1.00 47.10 C +ATOM 9045 CG ASN D 76 -23.120 35.948 -19.504 1.00 45.75 C +ATOM 9046 OD1 ASN D 76 -23.809 36.825 -20.025 1.00 50.91 O +ATOM 9047 ND2 ASN D 76 -22.799 34.823 -20.135 1.00 40.36 N +ATOM 9048 H ASN D 76 -21.238 38.885 -18.936 1.00 15.00 H +ATOM 9049 HD21 ASN D 76 -23.112 34.740 -21.058 1.00 15.00 H +ATOM 9050 HD22 ASN D 76 -22.276 34.151 -19.651 1.00 15.00 H +ATOM 9051 N THR D 77 -20.659 37.759 -15.798 1.00 20.01 N +ATOM 9052 CA THR D 77 -20.289 37.719 -14.394 1.00 9.67 C +ATOM 9053 C THR D 77 -20.514 39.000 -13.619 1.00 11.41 C +ATOM 9054 O THR D 77 -20.317 40.098 -14.133 1.00 13.21 O +ATOM 9055 CB THR D 77 -18.818 37.310 -14.209 1.00 14.96 C +ATOM 9056 OG1 THR D 77 -18.007 38.483 -14.129 1.00 14.55 O +ATOM 9057 CG2 THR D 77 -18.328 36.439 -15.379 1.00 2.00 C +ATOM 9058 H THR D 77 -19.983 38.015 -16.451 1.00 15.00 H +ATOM 9059 HG1 THR D 77 -18.150 38.946 -13.294 1.00 15.00 H +ATOM 9060 N LEU D 78 -20.923 38.840 -12.365 1.00 12.31 N +ATOM 9061 CA LEU D 78 -21.133 39.956 -11.443 1.00 6.41 C +ATOM 9062 C LEU D 78 -19.831 39.995 -10.619 1.00 13.28 C +ATOM 9063 O LEU D 78 -18.973 39.127 -10.810 1.00 14.19 O +ATOM 9064 CB LEU D 78 -22.326 39.640 -10.556 1.00 2.00 C +ATOM 9065 CG LEU D 78 -22.800 40.637 -9.517 1.00 2.42 C +ATOM 9066 CD1 LEU D 78 -23.176 41.944 -10.176 1.00 18.08 C +ATOM 9067 CD2 LEU D 78 -24.002 40.045 -8.812 1.00 7.86 C +ATOM 9068 H LEU D 78 -21.119 37.937 -12.046 1.00 15.00 H +ATOM 9069 N TYR D 79 -19.650 40.996 -9.759 1.00 8.59 N +ATOM 9070 CA TYR D 79 -18.437 41.108 -8.929 1.00 5.37 C +ATOM 9071 C TYR D 79 -18.693 41.875 -7.642 1.00 14.58 C +ATOM 9072 O TYR D 79 -19.677 42.612 -7.517 1.00 19.63 O +ATOM 9073 CB TYR D 79 -17.309 41.862 -9.643 1.00 2.00 C +ATOM 9074 CG TYR D 79 -16.714 41.181 -10.830 1.00 5.03 C +ATOM 9075 CD1 TYR D 79 -15.852 40.111 -10.677 1.00 17.09 C +ATOM 9076 CD2 TYR D 79 -17.054 41.569 -12.113 1.00 14.59 C +ATOM 9077 CE1 TYR D 79 -15.346 39.433 -11.774 1.00 9.08 C +ATOM 9078 CE2 TYR D 79 -16.555 40.901 -13.222 1.00 5.95 C +ATOM 9079 CZ TYR D 79 -15.710 39.828 -13.041 1.00 15.12 C +ATOM 9080 OH TYR D 79 -15.284 39.101 -14.125 1.00 27.36 O +ATOM 9081 H TYR D 79 -20.310 41.722 -9.685 1.00 15.00 H +ATOM 9082 HH TYR D 79 -15.909 39.255 -14.841 1.00 15.00 H +ATOM 9083 N LEU D 80 -17.765 41.727 -6.704 1.00 14.93 N +ATOM 9084 CA LEU D 80 -17.820 42.435 -5.435 1.00 7.63 C +ATOM 9085 C LEU D 80 -16.405 42.563 -4.930 1.00 11.79 C +ATOM 9086 O LEU D 80 -15.716 41.570 -4.721 1.00 14.16 O +ATOM 9087 CB LEU D 80 -18.665 41.705 -4.408 1.00 4.50 C +ATOM 9088 CG LEU D 80 -18.883 42.528 -3.139 1.00 2.91 C +ATOM 9089 CD1 LEU D 80 -19.114 43.979 -3.464 1.00 25.44 C +ATOM 9090 CD2 LEU D 80 -20.065 42.002 -2.378 1.00 11.34 C +ATOM 9091 H LEU D 80 -17.024 41.101 -6.855 1.00 15.00 H +ATOM 9092 N GLN D 81 -15.937 43.794 -4.828 1.00 9.24 N +ATOM 9093 CA GLN D 81 -14.601 44.032 -4.346 1.00 2.47 C +ATOM 9094 C GLN D 81 -14.762 44.677 -3.001 1.00 12.24 C +ATOM 9095 O GLN D 81 -15.558 45.616 -2.842 1.00 20.58 O +ATOM 9096 CB GLN D 81 -13.872 44.956 -5.286 1.00 19.81 C +ATOM 9097 CG GLN D 81 -13.801 44.406 -6.681 1.00 32.53 C +ATOM 9098 CD GLN D 81 -13.519 45.474 -7.695 1.00 35.17 C +ATOM 9099 OE1 GLN D 81 -12.393 45.603 -8.188 1.00 35.33 O +ATOM 9100 NE2 GLN D 81 -14.538 46.271 -8.002 1.00 16.61 N +ATOM 9101 H GLN D 81 -16.520 44.557 -5.043 1.00 15.00 H +ATOM 9102 HE21 GLN D 81 -14.391 46.946 -8.696 1.00 15.00 H +ATOM 9103 HE22 GLN D 81 -15.396 46.151 -7.540 1.00 15.00 H +ATOM 9104 N MET D 82 -14.071 44.110 -2.019 1.00 11.77 N +ATOM 9105 CA MET D 82 -14.107 44.593 -0.652 1.00 5.75 C +ATOM 9106 C MET D 82 -12.681 45.018 -0.324 1.00 10.60 C +ATOM 9107 O MET D 82 -11.729 44.282 -0.621 1.00 9.43 O +ATOM 9108 CB MET D 82 -14.567 43.456 0.251 1.00 3.56 C +ATOM 9109 CG MET D 82 -15.919 42.905 -0.139 1.00 5.44 C +ATOM 9110 SD MET D 82 -16.342 41.301 0.561 1.00 15.14 S +ATOM 9111 CE MET D 82 -15.341 40.261 -0.449 1.00 9.34 C +ATOM 9112 H MET D 82 -13.469 43.375 -2.214 1.00 15.00 H +ATOM 9113 N SER D 82A -12.520 46.206 0.254 1.00 14.27 N +ATOM 9114 CA SER D 82A -11.183 46.703 0.572 1.00 23.84 C +ATOM 9115 C SER D 82A -10.749 46.766 2.043 1.00 34.00 C +ATOM 9116 O SER D 82A -9.610 46.405 2.361 1.00 46.21 O +ATOM 9117 CB SER D 82A -10.915 48.045 -0.124 1.00 25.64 C +ATOM 9118 OG SER D 82A -10.109 47.879 -1.285 1.00 32.73 O +ATOM 9119 H SER D 82A -13.320 46.752 0.400 1.00 15.00 H +ATOM 9120 HG SER D 82A -9.352 47.308 -1.078 1.00 15.00 H +ATOM 9121 N ARG D 82B -11.609 47.227 2.944 1.00 21.62 N +ATOM 9122 CA ARG D 82B -11.202 47.290 4.343 1.00 21.51 C +ATOM 9123 C ARG D 82B -12.014 46.302 5.176 1.00 29.33 C +ATOM 9124 O ARG D 82B -12.862 46.701 5.977 1.00 41.60 O +ATOM 9125 CB ARG D 82B -11.347 48.718 4.880 1.00 29.14 C +ATOM 9126 CG ARG D 82B -10.204 49.658 4.485 1.00 43.75 C +ATOM 9127 CD ARG D 82B -10.589 50.685 3.424 1.00 41.79 C +ATOM 9128 NE ARG D 82B -11.591 51.633 3.900 1.00 38.76 N +ATOM 9129 CZ ARG D 82B -12.430 52.291 3.105 1.00 43.89 C +ATOM 9130 NH1 ARG D 82B -12.384 52.105 1.791 1.00 44.28 N +ATOM 9131 NH2 ARG D 82B -13.320 53.134 3.622 1.00 46.23 N +ATOM 9132 H ARG D 82B -12.508 47.500 2.676 1.00 15.00 H +ATOM 9133 HE ARG D 82B -11.645 51.794 4.866 1.00 15.00 H +ATOM 9134 HH11 ARG D 82B -11.718 51.473 1.398 1.00 15.00 H +ATOM 9135 HH12 ARG D 82B -13.017 52.598 1.192 1.00 15.00 H +ATOM 9136 HH21 ARG D 82B -13.362 53.266 4.613 1.00 15.00 H +ATOM 9137 HH22 ARG D 82B -13.957 53.622 3.027 1.00 15.00 H +ATOM 9138 N LEU D 82C -11.730 45.013 5.015 1.00 20.64 N +ATOM 9139 CA LEU D 82C -12.476 43.976 5.724 1.00 22.55 C +ATOM 9140 C LEU D 82C -12.313 43.897 7.248 1.00 31.89 C +ATOM 9141 O LEU D 82C -11.225 44.100 7.783 1.00 38.84 O +ATOM 9142 CB LEU D 82C -12.205 42.612 5.086 1.00 11.50 C +ATOM 9143 CG LEU D 82C -12.742 42.396 3.662 1.00 2.00 C +ATOM 9144 CD1 LEU D 82C -12.106 41.185 3.020 1.00 10.08 C +ATOM 9145 CD2 LEU D 82C -14.237 42.239 3.669 1.00 2.00 C +ATOM 9146 H LEU D 82C -10.996 44.750 4.417 1.00 15.00 H +ATOM 9147 N LYS D 83 -13.428 43.642 7.932 1.00 39.96 N +ATOM 9148 CA LYS D 83 -13.487 43.501 9.389 1.00 35.11 C +ATOM 9149 C LYS D 83 -13.952 42.082 9.669 1.00 39.69 C +ATOM 9150 O LYS D 83 -14.500 41.416 8.791 1.00 45.00 O +ATOM 9151 CB LYS D 83 -14.558 44.404 9.992 1.00 26.71 C +ATOM 9152 CG LYS D 83 -14.568 45.836 9.556 1.00 23.95 C +ATOM 9153 CD LYS D 83 -15.855 46.447 10.089 1.00 32.65 C +ATOM 9154 CE LYS D 83 -16.095 47.856 9.591 1.00 33.42 C +ATOM 9155 NZ LYS D 83 -17.487 48.255 9.912 1.00 27.02 N +ATOM 9156 H LYS D 83 -14.252 43.526 7.416 1.00 15.00 H +ATOM 9157 HZ1 LYS D 83 -18.161 47.576 9.498 1.00 15.00 H +ATOM 9158 HZ2 LYS D 83 -17.607 48.276 10.946 1.00 15.00 H +ATOM 9159 HZ3 LYS D 83 -17.669 49.204 9.522 1.00 15.00 H +ATOM 9160 N SER D 84 -13.831 41.646 10.915 1.00 45.20 N +ATOM 9161 CA SER D 84 -14.291 40.306 11.253 1.00 45.21 C +ATOM 9162 C SER D 84 -15.822 40.300 11.105 1.00 37.41 C +ATOM 9163 O SER D 84 -16.399 39.325 10.628 1.00 40.43 O +ATOM 9164 CB SER D 84 -13.856 39.908 12.674 1.00 46.40 C +ATOM 9165 OG SER D 84 -13.873 38.493 12.845 1.00 45.02 O +ATOM 9166 H SER D 84 -13.420 42.209 11.599 1.00 15.00 H +ATOM 9167 HG SER D 84 -13.369 38.082 12.126 1.00 15.00 H +ATOM 9168 N GLU D 85 -16.465 41.419 11.433 1.00 27.92 N +ATOM 9169 CA GLU D 85 -17.917 41.514 11.312 1.00 28.64 C +ATOM 9170 C GLU D 85 -18.306 41.144 9.885 1.00 29.59 C +ATOM 9171 O GLU D 85 -19.297 40.457 9.655 1.00 37.61 O +ATOM 9172 CB GLU D 85 -18.394 42.929 11.601 1.00 26.27 C +ATOM 9173 CG GLU D 85 -17.764 43.558 12.818 1.00 52.92 C +ATOM 9174 CD GLU D 85 -18.249 44.978 13.060 1.00 69.95 C +ATOM 9175 OE1 GLU D 85 -19.311 45.365 12.514 1.00 71.53 O +ATOM 9176 OE2 GLU D 85 -17.563 45.712 13.805 1.00 83.17 O +ATOM 9177 H GLU D 85 -15.953 42.175 11.774 1.00 15.00 H +ATOM 9178 N ASP D 86 -17.463 41.528 8.934 1.00 29.21 N +ATOM 9179 CA ASP D 86 -17.728 41.237 7.532 1.00 31.77 C +ATOM 9180 C ASP D 86 -17.621 39.739 7.237 1.00 25.62 C +ATOM 9181 O ASP D 86 -17.548 39.344 6.076 1.00 24.85 O +ATOM 9182 CB ASP D 86 -16.787 42.039 6.599 1.00 24.92 C +ATOM 9183 CG ASP D 86 -17.030 43.565 6.652 1.00 31.27 C +ATOM 9184 OD1 ASP D 86 -18.171 44.028 6.957 1.00 9.40 O +ATOM 9185 OD2 ASP D 86 -16.058 44.303 6.364 1.00 20.21 O +ATOM 9186 H ASP D 86 -16.629 41.967 9.172 1.00 15.00 H +ATOM 9187 N THR D 87 -17.613 38.900 8.267 1.00 16.18 N +ATOM 9188 CA THR D 87 -17.530 37.476 8.014 1.00 21.26 C +ATOM 9189 C THR D 87 -18.945 36.965 7.837 1.00 15.65 C +ATOM 9190 O THR D 87 -19.818 37.284 8.639 1.00 26.68 O +ATOM 9191 CB THR D 87 -16.792 36.700 9.146 1.00 21.60 C +ATOM 9192 OG1 THR D 87 -15.426 37.135 9.225 1.00 24.15 O +ATOM 9193 CG2 THR D 87 -16.771 35.205 8.839 1.00 22.74 C +ATOM 9194 H THR D 87 -17.700 39.150 9.197 1.00 15.00 H +ATOM 9195 HG1 THR D 87 -15.487 37.981 9.685 1.00 15.00 H +ATOM 9196 N ALA D 88 -19.178 36.246 6.740 1.00 14.78 N +ATOM 9197 CA ALA D 88 -20.488 35.680 6.425 1.00 15.45 C +ATOM 9198 C ALA D 88 -20.451 34.950 5.090 1.00 15.90 C +ATOM 9199 O ALA D 88 -19.372 34.646 4.569 1.00 16.62 O +ATOM 9200 CB ALA D 88 -21.556 36.774 6.396 1.00 15.58 C +ATOM 9201 H ALA D 88 -18.446 36.077 6.107 1.00 15.00 H +ATOM 9202 N MET D 89 -21.629 34.542 4.621 1.00 22.30 N +ATOM 9203 CA MET D 89 -21.776 33.865 3.334 1.00 19.83 C +ATOM 9204 C MET D 89 -22.324 34.931 2.441 1.00 20.71 C +ATOM 9205 O MET D 89 -23.303 35.600 2.788 1.00 11.29 O +ATOM 9206 CB MET D 89 -22.809 32.750 3.392 1.00 15.98 C +ATOM 9207 CG MET D 89 -22.234 31.349 3.501 1.00 13.81 C +ATOM 9208 SD MET D 89 -21.747 30.739 1.935 1.00 21.85 S +ATOM 9209 CE MET D 89 -21.416 29.083 2.323 1.00 4.32 C +ATOM 9210 H MET D 89 -22.435 34.687 5.158 1.00 15.00 H +ATOM 9211 N TYR D 90 -21.669 35.119 1.311 1.00 25.23 N +ATOM 9212 CA TYR D 90 -22.108 36.110 0.364 1.00 24.13 C +ATOM 9213 C TYR D 90 -22.846 35.440 -0.778 1.00 23.48 C +ATOM 9214 O TYR D 90 -22.367 34.469 -1.380 1.00 23.86 O +ATOM 9215 CB TYR D 90 -20.914 36.929 -0.120 1.00 23.06 C +ATOM 9216 CG TYR D 90 -20.400 37.866 0.951 1.00 17.44 C +ATOM 9217 CD1 TYR D 90 -20.939 39.140 1.106 1.00 24.69 C +ATOM 9218 CD2 TYR D 90 -19.399 37.473 1.826 1.00 23.69 C +ATOM 9219 CE1 TYR D 90 -20.489 40.000 2.116 1.00 28.23 C +ATOM 9220 CE2 TYR D 90 -18.937 38.331 2.838 1.00 25.42 C +ATOM 9221 CZ TYR D 90 -19.488 39.587 2.972 1.00 22.67 C +ATOM 9222 OH TYR D 90 -19.036 40.432 3.950 1.00 20.65 O +ATOM 9223 H TYR D 90 -20.888 34.564 1.090 1.00 15.00 H +ATOM 9224 HH TYR D 90 -18.364 39.976 4.478 1.00 15.00 H +ATOM 9225 N TYR D 91 -24.037 35.948 -1.044 1.00 24.21 N +ATOM 9226 CA TYR D 91 -24.890 35.429 -2.099 1.00 25.05 C +ATOM 9227 C TYR D 91 -25.179 36.520 -3.118 1.00 16.75 C +ATOM 9228 O TYR D 91 -25.488 37.637 -2.724 1.00 15.90 O +ATOM 9229 CB TYR D 91 -26.228 34.991 -1.501 1.00 26.36 C +ATOM 9230 CG TYR D 91 -26.207 33.720 -0.680 1.00 18.95 C +ATOM 9231 CD1 TYR D 91 -25.909 32.501 -1.276 1.00 16.58 C +ATOM 9232 CD2 TYR D 91 -26.550 33.731 0.672 1.00 12.63 C +ATOM 9233 CE1 TYR D 91 -25.954 31.328 -0.566 1.00 22.25 C +ATOM 9234 CE2 TYR D 91 -26.601 32.556 1.399 1.00 10.54 C +ATOM 9235 CZ TYR D 91 -26.300 31.355 0.766 1.00 26.61 C +ATOM 9236 OH TYR D 91 -26.355 30.161 1.441 1.00 44.41 O +ATOM 9237 H TYR D 91 -24.283 36.733 -0.565 1.00 15.00 H +ATOM 9238 HH TYR D 91 -26.532 30.335 2.368 1.00 15.00 H +ATOM 9239 N CYS D 92 -24.958 36.255 -4.402 1.00 17.10 N +ATOM 9240 CA CYS D 92 -25.314 37.241 -5.414 1.00 12.55 C +ATOM 9241 C CYS D 92 -26.694 36.762 -5.786 1.00 12.11 C +ATOM 9242 O CYS D 92 -26.917 35.561 -5.943 1.00 7.97 O +ATOM 9243 CB CYS D 92 -24.426 37.176 -6.639 1.00 10.91 C +ATOM 9244 SG CYS D 92 -24.475 35.560 -7.451 1.00 4.05 S +ATOM 9245 H CYS D 92 -24.590 35.424 -4.716 1.00 15.00 H +ATOM 9246 N ALA D 93 -27.633 37.687 -5.872 1.00 11.60 N +ATOM 9247 CA ALA D 93 -28.993 37.329 -6.185 1.00 14.89 C +ATOM 9248 C ALA D 93 -29.623 38.175 -7.283 1.00 16.86 C +ATOM 9249 O ALA D 93 -29.617 39.410 -7.227 1.00 17.56 O +ATOM 9250 CB ALA D 93 -29.803 37.423 -4.943 1.00 13.58 C +ATOM 9251 H ALA D 93 -27.444 38.625 -5.725 1.00 15.00 H +ATOM 9252 N ARG D 94 -30.166 37.496 -8.282 1.00 13.75 N +ATOM 9253 CA ARG D 94 -30.837 38.161 -9.386 1.00 14.15 C +ATOM 9254 C ARG D 94 -32.102 38.826 -8.878 1.00 12.35 C +ATOM 9255 O ARG D 94 -32.725 38.357 -7.930 1.00 24.73 O +ATOM 9256 CB ARG D 94 -31.218 37.158 -10.462 1.00 13.60 C +ATOM 9257 CG ARG D 94 -32.104 37.757 -11.530 1.00 26.08 C +ATOM 9258 CD ARG D 94 -32.416 36.757 -12.620 1.00 37.21 C +ATOM 9259 NE ARG D 94 -33.804 36.302 -12.578 1.00 35.38 N +ATOM 9260 CZ ARG D 94 -34.419 35.712 -13.598 1.00 32.84 C +ATOM 9261 NH1 ARG D 94 -33.771 35.506 -14.739 1.00 29.61 N +ATOM 9262 NH2 ARG D 94 -35.680 35.330 -13.484 1.00 37.39 N +ATOM 9263 H ARG D 94 -30.152 36.517 -8.233 1.00 15.00 H +ATOM 9264 HE ARG D 94 -34.315 36.446 -11.757 1.00 15.00 H +ATOM 9265 HH11 ARG D 94 -32.816 35.788 -14.840 1.00 15.00 H +ATOM 9266 HH12 ARG D 94 -34.244 35.059 -15.495 1.00 15.00 H +ATOM 9267 HH21 ARG D 94 -36.198 35.492 -12.652 1.00 15.00 H +ATOM 9268 HH22 ARG D 94 -36.121 34.890 -14.264 1.00 15.00 H +ATOM 9269 N HIS D 95 -32.497 39.901 -9.535 1.00 11.07 N +ATOM 9270 CA HIS D 95 -33.689 40.647 -9.165 1.00 16.11 C +ATOM 9271 C HIS D 95 -34.889 40.103 -9.914 1.00 19.90 C +ATOM 9272 O HIS D 95 -34.867 40.056 -11.136 1.00 26.62 O +ATOM 9273 CB HIS D 95 -33.484 42.100 -9.544 1.00 15.91 C +ATOM 9274 CG HIS D 95 -34.713 42.936 -9.425 1.00 26.06 C +ATOM 9275 ND1 HIS D 95 -35.301 43.223 -8.214 1.00 26.40 N +ATOM 9276 CD2 HIS D 95 -35.453 43.570 -10.365 1.00 31.75 C +ATOM 9277 CE1 HIS D 95 -36.351 43.998 -8.411 1.00 25.84 C +ATOM 9278 NE2 HIS D 95 -36.465 44.224 -9.707 1.00 27.03 N +ATOM 9279 H HIS D 95 -31.963 40.209 -10.296 1.00 15.00 H +ATOM 9280 HD1 HIS D 95 -34.905 43.014 -7.331 1.00 15.00 H +ATOM 9281 HE2 HIS D 95 -37.142 44.808 -10.135 1.00 15.00 H +ATOM 9282 N GLY D 96 -35.951 39.752 -9.195 1.00 13.13 N +ATOM 9283 CA GLY D 96 -37.145 39.216 -9.837 1.00 16.38 C +ATOM 9284 C GLY D 96 -38.081 40.192 -10.548 1.00 14.17 C +ATOM 9285 O GLY D 96 -38.957 39.790 -11.317 1.00 19.48 O +ATOM 9286 H GLY D 96 -35.924 39.789 -8.218 1.00 15.00 H +ATOM 9287 N GLY D 97 -37.936 41.474 -10.248 1.00 7.82 N +ATOM 9288 CA GLY D 97 -38.771 42.476 -10.874 1.00 2.00 C +ATOM 9289 C GLY D 97 -39.558 43.272 -9.855 1.00 17.64 C +ATOM 9290 O GLY D 97 -39.514 44.512 -9.857 1.00 14.35 O +ATOM 9291 H GLY D 97 -37.249 41.699 -9.607 1.00 15.00 H +ATOM 9292 N TYR D 100H -40.169 42.556 -8.913 1.00 17.29 N +ATOM 9293 CA TYR D 100H -41.001 43.157 -7.879 1.00 13.78 C +ATOM 9294 C TYR D 100H -40.287 43.492 -6.554 1.00 26.16 C +ATOM 9295 O TYR D 100H -40.911 43.514 -5.493 1.00 29.15 O +ATOM 9296 CB TYR D 100H -42.177 42.228 -7.626 1.00 16.95 C +ATOM 9297 CG TYR D 100H -42.787 41.663 -8.895 1.00 34.71 C +ATOM 9298 CD1 TYR D 100H -42.249 40.523 -9.505 1.00 38.16 C +ATOM 9299 CD2 TYR D 100H -43.908 42.265 -9.488 1.00 27.06 C +ATOM 9300 CE1 TYR D 100H -42.812 39.996 -10.674 1.00 41.64 C +ATOM 9301 CE2 TYR D 100H -44.480 41.750 -10.648 1.00 24.95 C +ATOM 9302 CZ TYR D 100H -43.930 40.615 -11.238 1.00 44.46 C +ATOM 9303 OH TYR D 100H -44.500 40.097 -12.386 1.00 55.30 O +ATOM 9304 H TYR D 100H -40.072 41.581 -8.939 1.00 15.00 H +ATOM 9305 HH TYR D 100H -45.217 40.656 -12.701 1.00 15.00 H +ATOM 9306 N TYR D 100I -38.992 43.811 -6.628 1.00 29.01 N +ATOM 9307 CA TYR D 100I -38.172 44.155 -5.449 1.00 22.45 C +ATOM 9308 C TYR D 100I -37.984 42.968 -4.500 1.00 24.05 C +ATOM 9309 O TYR D 100I -38.224 43.072 -3.297 1.00 29.69 O +ATOM 9310 CB TYR D 100I -38.746 45.381 -4.720 1.00 21.07 C +ATOM 9311 CG TYR D 100I -38.792 46.594 -5.617 1.00 39.00 C +ATOM 9312 CD1 TYR D 100I -39.612 46.612 -6.741 1.00 49.75 C +ATOM 9313 CD2 TYR D 100I -37.945 47.678 -5.412 1.00 48.71 C +ATOM 9314 CE1 TYR D 100I -39.581 47.669 -7.651 1.00 57.43 C +ATOM 9315 CE2 TYR D 100I -37.908 48.751 -6.320 1.00 60.65 C +ATOM 9316 CZ TYR D 100I -38.730 48.733 -7.442 1.00 59.23 C +ATOM 9317 OH TYR D 100I -38.699 49.754 -8.371 1.00 60.60 O +ATOM 9318 H TYR D 100I -38.632 43.870 -7.521 1.00 15.00 H +ATOM 9319 HH TYR D 100I -39.324 49.550 -9.086 1.00 15.00 H +ATOM 9320 N ALA D 100J -37.506 41.856 -5.065 1.00 13.36 N +ATOM 9321 CA ALA D 100J -37.285 40.617 -4.338 1.00 4.33 C +ATOM 9322 C ALA D 100J -36.401 39.667 -5.150 1.00 10.38 C +ATOM 9323 O ALA D 100J -36.512 39.605 -6.367 1.00 26.22 O +ATOM 9324 CB ALA D 100J -38.609 39.965 -4.047 1.00 5.98 C +ATOM 9325 H ALA D 100J -37.305 41.832 -6.011 1.00 15.00 H +ATOM 9326 N MET D 100K -35.517 38.937 -4.482 1.00 11.11 N +ATOM 9327 CA MET D 100K -34.623 38.022 -5.167 1.00 14.81 C +ATOM 9328 C MET D 100K -35.304 36.728 -5.508 1.00 10.55 C +ATOM 9329 O MET D 100K -35.583 35.919 -4.634 1.00 27.28 O +ATOM 9330 CB MET D 100K -33.383 37.731 -4.325 1.00 26.30 C +ATOM 9331 CG MET D 100K -32.521 38.942 -4.052 1.00 21.09 C +ATOM 9332 SD MET D 100K -33.041 39.803 -2.595 1.00 33.67 S +ATOM 9333 CE MET D 100K -31.564 40.674 -2.227 1.00 21.16 C +ATOM 9334 H MET D 100K -35.499 38.981 -3.501 1.00 15.00 H +ATOM 9335 N ASP D 101 -35.549 36.527 -6.789 1.00 5.34 N +ATOM 9336 CA ASP D 101 -36.200 35.323 -7.258 1.00 11.70 C +ATOM 9337 C ASP D 101 -35.218 34.172 -7.386 1.00 17.84 C +ATOM 9338 O ASP D 101 -35.610 33.007 -7.326 1.00 32.75 O +ATOM 9339 CB ASP D 101 -36.908 35.580 -8.590 1.00 19.74 C +ATOM 9340 CG ASP D 101 -35.950 35.807 -9.740 1.00 26.06 C +ATOM 9341 OD1 ASP D 101 -34.949 36.535 -9.578 1.00 42.21 O +ATOM 9342 OD2 ASP D 101 -36.212 35.267 -10.826 1.00 20.32 O +ATOM 9343 H ASP D 101 -35.273 37.224 -7.415 1.00 15.00 H +ATOM 9344 N TYR D 102 -33.944 34.490 -7.564 1.00 22.31 N +ATOM 9345 CA TYR D 102 -32.924 33.459 -7.688 1.00 27.80 C +ATOM 9346 C TYR D 102 -31.658 33.806 -6.943 1.00 28.59 C +ATOM 9347 O TYR D 102 -31.173 34.937 -7.035 1.00 33.59 O +ATOM 9348 CB TYR D 102 -32.609 33.167 -9.150 1.00 29.29 C +ATOM 9349 CG TYR D 102 -33.653 32.304 -9.794 1.00 45.58 C +ATOM 9350 CD1 TYR D 102 -33.815 30.977 -9.405 1.00 53.97 C +ATOM 9351 CD2 TYR D 102 -34.500 32.813 -10.767 1.00 55.21 C +ATOM 9352 CE1 TYR D 102 -34.801 30.180 -9.967 1.00 62.96 C +ATOM 9353 CE2 TYR D 102 -35.489 32.027 -11.338 1.00 62.08 C +ATOM 9354 CZ TYR D 102 -35.635 30.713 -10.934 1.00 66.61 C +ATOM 9355 OH TYR D 102 -36.619 29.935 -11.498 1.00 80.40 O +ATOM 9356 H TYR D 102 -33.661 35.428 -7.588 1.00 15.00 H +ATOM 9357 HH TYR D 102 -36.595 29.053 -11.116 1.00 15.00 H +ATOM 9358 N TRP D 103 -31.156 32.840 -6.173 1.00 28.66 N +ATOM 9359 CA TRP D 103 -29.935 33.017 -5.392 1.00 17.09 C +ATOM 9360 C TRP D 103 -28.937 31.936 -5.764 1.00 18.50 C +ATOM 9361 O TRP D 103 -29.317 30.823 -6.138 1.00 23.22 O +ATOM 9362 CB TRP D 103 -30.210 32.950 -3.894 1.00 2.00 C +ATOM 9363 CG TRP D 103 -31.360 33.792 -3.379 1.00 5.49 C +ATOM 9364 CD1 TRP D 103 -32.651 33.754 -3.805 1.00 7.36 C +ATOM 9365 CD2 TRP D 103 -31.350 34.626 -2.212 1.00 2.00 C +ATOM 9366 NE1 TRP D 103 -33.448 34.481 -2.964 1.00 15.50 N +ATOM 9367 CE2 TRP D 103 -32.676 35.021 -1.973 1.00 10.28 C +ATOM 9368 CE3 TRP D 103 -30.350 35.058 -1.332 1.00 2.00 C +ATOM 9369 CZ2 TRP D 103 -33.034 35.821 -0.883 1.00 17.16 C +ATOM 9370 CZ3 TRP D 103 -30.705 35.850 -0.253 1.00 2.00 C +ATOM 9371 CH2 TRP D 103 -32.035 36.222 -0.037 1.00 2.00 C +ATOM 9372 H TRP D 103 -31.583 31.958 -6.130 1.00 15.00 H +ATOM 9373 HE1 TRP D 103 -34.412 34.639 -3.094 1.00 15.00 H +ATOM 9374 N GLY D 104 -27.659 32.285 -5.691 1.00 21.64 N +ATOM 9375 CA GLY D 104 -26.606 31.350 -6.032 1.00 14.72 C +ATOM 9376 C GLY D 104 -26.245 30.472 -4.865 1.00 17.90 C +ATOM 9377 O GLY D 104 -26.880 30.579 -3.804 1.00 8.11 O +ATOM 9378 H GLY D 104 -27.423 33.191 -5.402 1.00 15.00 H +ATOM 9379 N GLN D 105 -25.214 29.640 -5.043 1.00 18.96 N +ATOM 9380 CA GLN D 105 -24.777 28.721 -3.988 1.00 25.51 C +ATOM 9381 C GLN D 105 -24.105 29.375 -2.776 1.00 20.82 C +ATOM 9382 O GLN D 105 -24.138 28.832 -1.680 1.00 33.06 O +ATOM 9383 CB GLN D 105 -23.944 27.551 -4.550 1.00 27.71 C +ATOM 9384 CG GLN D 105 -22.925 27.882 -5.653 1.00 47.58 C +ATOM 9385 CD GLN D 105 -21.614 28.494 -5.142 1.00 63.25 C +ATOM 9386 OE1 GLN D 105 -21.516 29.707 -4.955 1.00 71.02 O +ATOM 9387 NE2 GLN D 105 -20.594 27.660 -4.963 1.00 71.04 N +ATOM 9388 H GLN D 105 -24.771 29.667 -5.917 1.00 15.00 H +ATOM 9389 HE21 GLN D 105 -19.764 28.061 -4.630 1.00 15.00 H +ATOM 9390 HE22 GLN D 105 -20.716 26.710 -5.159 1.00 15.00 H +ATOM 9391 N GLY D 106 -23.605 30.589 -2.945 1.00 19.48 N +ATOM 9392 CA GLY D 106 -22.957 31.279 -1.848 1.00 8.05 C +ATOM 9393 C GLY D 106 -21.505 30.879 -1.735 1.00 14.95 C +ATOM 9394 O GLY D 106 -21.119 29.794 -2.163 1.00 11.11 O +ATOM 9395 H GLY D 106 -23.684 31.000 -3.804 1.00 15.00 H +ATOM 9396 N THR D 107 -20.676 31.796 -1.257 1.00 18.72 N +ATOM 9397 CA THR D 107 -19.269 31.501 -1.074 1.00 19.21 C +ATOM 9398 C THR D 107 -18.962 31.930 0.363 1.00 28.92 C +ATOM 9399 O THR D 107 -19.593 32.869 0.883 1.00 32.13 O +ATOM 9400 CB THR D 107 -18.384 32.230 -2.111 1.00 14.24 C +ATOM 9401 OG1 THR D 107 -17.112 31.573 -2.213 1.00 15.90 O +ATOM 9402 CG2 THR D 107 -18.157 33.652 -1.714 1.00 9.54 C +ATOM 9403 H THR D 107 -21.007 32.687 -1.001 1.00 15.00 H +ATOM 9404 HG1 THR D 107 -17.306 30.677 -2.513 1.00 15.00 H +ATOM 9405 N THR D 108 -18.068 31.192 1.024 1.00 27.69 N +ATOM 9406 CA THR D 108 -17.711 31.475 2.409 1.00 24.00 C +ATOM 9407 C THR D 108 -16.560 32.440 2.526 1.00 20.53 C +ATOM 9408 O THR D 108 -15.520 32.267 1.889 1.00 20.21 O +ATOM 9409 CB THR D 108 -17.281 30.204 3.132 1.00 28.04 C +ATOM 9410 OG1 THR D 108 -18.177 29.135 2.799 1.00 54.31 O +ATOM 9411 CG2 THR D 108 -17.285 30.427 4.642 1.00 22.06 C +ATOM 9412 H THR D 108 -17.619 30.437 0.596 1.00 15.00 H +ATOM 9413 HG1 THR D 108 -18.994 29.244 3.292 1.00 15.00 H +ATOM 9414 N VAL D 109 -16.742 33.459 3.346 1.00 22.42 N +ATOM 9415 CA VAL D 109 -15.676 34.422 3.560 1.00 29.46 C +ATOM 9416 C VAL D 109 -15.475 34.624 5.051 1.00 30.39 C +ATOM 9417 O VAL D 109 -16.428 34.945 5.798 1.00 15.82 O +ATOM 9418 CB VAL D 109 -15.950 35.779 2.884 1.00 31.52 C +ATOM 9419 CG1 VAL D 109 -14.844 36.756 3.224 1.00 21.31 C +ATOM 9420 CG2 VAL D 109 -16.012 35.608 1.377 1.00 38.97 C +ATOM 9421 H VAL D 109 -17.588 33.601 3.829 1.00 15.00 H +ATOM 9422 N THR D 110 -14.229 34.415 5.473 1.00 28.89 N +ATOM 9423 CA THR D 110 -13.845 34.548 6.866 1.00 24.69 C +ATOM 9424 C THR D 110 -12.714 35.563 7.015 1.00 15.41 C +ATOM 9425 O THR D 110 -11.666 35.441 6.375 1.00 10.20 O +ATOM 9426 CB THR D 110 -13.382 33.188 7.420 1.00 25.61 C +ATOM 9427 OG1 THR D 110 -14.311 32.161 7.038 1.00 41.04 O +ATOM 9428 CG2 THR D 110 -13.297 33.243 8.923 1.00 26.10 C +ATOM 9429 H THR D 110 -13.530 34.167 4.845 1.00 15.00 H +ATOM 9430 HG1 THR D 110 -15.190 32.426 7.325 1.00 15.00 H +ATOM 9431 N VAL D 111 -12.954 36.613 7.789 1.00 9.88 N +ATOM 9432 CA VAL D 111 -11.919 37.615 8.025 1.00 20.07 C +ATOM 9433 C VAL D 111 -11.314 37.323 9.407 1.00 28.07 C +ATOM 9434 O VAL D 111 -11.946 37.562 10.450 1.00 20.58 O +ATOM 9435 CB VAL D 111 -12.487 39.052 7.963 1.00 18.14 C +ATOM 9436 CG1 VAL D 111 -11.446 40.063 8.401 1.00 17.99 C +ATOM 9437 CG2 VAL D 111 -12.934 39.364 6.559 1.00 20.28 C +ATOM 9438 H VAL D 111 -13.824 36.722 8.228 1.00 15.00 H +ATOM 9439 N SER D 112 -10.112 36.758 9.411 1.00 31.40 N +ATOM 9440 CA SER D 112 -9.457 36.421 10.663 1.00 36.63 C +ATOM 9441 C SER D 112 -7.936 36.399 10.543 1.00 32.00 C +ATOM 9442 O SER D 112 -7.375 35.923 9.546 1.00 21.07 O +ATOM 9443 CB SER D 112 -9.970 35.071 11.180 1.00 45.43 C +ATOM 9444 OG SER D 112 -9.899 34.998 12.597 1.00 45.74 O +ATOM 9445 H SER D 112 -9.639 36.586 8.568 1.00 15.00 H +ATOM 9446 HG SER D 112 -10.582 35.579 12.948 1.00 15.00 H +ATOM 9447 N SER D 113 -7.293 36.896 11.597 1.00 27.27 N +ATOM 9448 CA SER D 113 -5.843 36.987 11.695 1.00 24.74 C +ATOM 9449 C SER D 113 -5.198 35.617 11.746 1.00 27.33 C +ATOM 9450 O SER D 113 -3.998 35.474 11.523 1.00 31.86 O +ATOM 9451 CB SER D 113 -5.490 37.750 12.961 1.00 22.15 C +ATOM 9452 OG SER D 113 -6.593 38.543 13.390 1.00 33.78 O +ATOM 9453 H SER D 113 -7.797 37.248 12.354 1.00 15.00 H +ATOM 9454 HG SER D 113 -6.307 39.065 14.150 1.00 15.00 H +ATOM 9455 N ALA D 114 -6.009 34.619 12.075 1.00 33.86 N +ATOM 9456 CA ALA D 114 -5.557 33.237 12.200 1.00 31.41 C +ATOM 9457 C ALA D 114 -5.021 32.712 10.901 1.00 24.20 C +ATOM 9458 O ALA D 114 -5.434 33.140 9.836 1.00 24.78 O +ATOM 9459 CB ALA D 114 -6.704 32.347 12.664 1.00 31.76 C +ATOM 9460 H ALA D 114 -6.957 34.798 12.215 1.00 15.00 H +ATOM 9461 N LYS D 115 -4.110 31.761 10.996 1.00 28.85 N +ATOM 9462 CA LYS D 115 -3.542 31.172 9.807 1.00 39.63 C +ATOM 9463 C LYS D 115 -4.359 29.956 9.413 1.00 36.08 C +ATOM 9464 O LYS D 115 -5.035 29.366 10.244 1.00 37.36 O +ATOM 9465 CB LYS D 115 -2.070 30.816 10.029 1.00 50.83 C +ATOM 9466 CG LYS D 115 -1.183 32.052 10.212 1.00 69.91 C +ATOM 9467 CD LYS D 115 0.311 31.736 10.091 1.00 80.78 C +ATOM 9468 CE LYS D 115 1.154 33.017 10.162 1.00 85.98 C +ATOM 9469 NZ LYS D 115 2.627 32.785 10.019 1.00 89.62 N +ATOM 9470 H LYS D 115 -3.848 31.420 11.870 1.00 15.00 H +ATOM 9471 HZ1 LYS D 115 2.961 32.160 10.780 1.00 15.00 H +ATOM 9472 HZ2 LYS D 115 2.821 32.350 9.095 1.00 15.00 H +ATOM 9473 HZ3 LYS D 115 3.123 33.698 10.081 1.00 15.00 H +ATOM 9474 N THR D 116 -4.336 29.634 8.126 1.00 42.81 N +ATOM 9475 CA THR D 116 -5.062 28.496 7.571 1.00 47.39 C +ATOM 9476 C THR D 116 -4.421 27.209 8.069 1.00 48.91 C +ATOM 9477 O THR D 116 -3.205 27.052 7.974 1.00 52.21 O +ATOM 9478 CB THR D 116 -4.974 28.501 6.028 1.00 51.09 C +ATOM 9479 OG1 THR D 116 -5.324 29.801 5.528 1.00 55.09 O +ATOM 9480 CG2 THR D 116 -5.907 27.453 5.426 1.00 49.81 C +ATOM 9481 H THR D 116 -3.824 30.169 7.494 1.00 15.00 H +ATOM 9482 HG1 THR D 116 -5.300 29.764 4.565 1.00 15.00 H +ATOM 9483 N THR D 117 -5.236 26.268 8.539 1.00 48.75 N +ATOM 9484 CA THR D 117 -4.716 25.004 9.054 1.00 42.70 C +ATOM 9485 C THR D 117 -5.396 23.791 8.435 1.00 35.82 C +ATOM 9486 O THR D 117 -6.626 23.697 8.417 1.00 28.63 O +ATOM 9487 CB THR D 117 -4.887 24.923 10.593 1.00 47.55 C +ATOM 9488 OG1 THR D 117 -4.965 26.246 11.140 1.00 54.18 O +ATOM 9489 CG2 THR D 117 -3.700 24.219 11.223 1.00 49.34 C +ATOM 9490 H THR D 117 -6.201 26.425 8.560 1.00 15.00 H +ATOM 9491 HG1 THR D 117 -5.169 26.234 12.077 1.00 15.00 H +ATOM 9492 N ALA D 118 -4.584 22.870 7.926 1.00 37.54 N +ATOM 9493 CA ALA D 118 -5.076 21.635 7.326 1.00 44.58 C +ATOM 9494 C ALA D 118 -5.663 20.780 8.444 1.00 47.89 C +ATOM 9495 O ALA D 118 -5.103 20.712 9.531 1.00 54.92 O +ATOM 9496 CB ALA D 118 -3.920 20.896 6.664 1.00 49.09 C +ATOM 9497 H ALA D 118 -3.622 23.011 7.995 1.00 15.00 H +ATOM 9498 N PRO D 119 -6.787 20.105 8.189 1.00 51.95 N +ATOM 9499 CA PRO D 119 -7.400 19.271 9.221 1.00 50.80 C +ATOM 9500 C PRO D 119 -6.761 17.884 9.336 1.00 54.09 C +ATOM 9501 O PRO D 119 -5.889 17.506 8.544 1.00 55.86 O +ATOM 9502 CB PRO D 119 -8.834 19.162 8.733 1.00 49.46 C +ATOM 9503 CG PRO D 119 -8.633 19.013 7.251 1.00 53.28 C +ATOM 9504 CD PRO D 119 -7.572 20.064 6.943 1.00 57.78 C +ATOM 9505 N SER D 120 -7.205 17.139 10.341 1.00 53.43 N +ATOM 9506 CA SER D 120 -6.751 15.781 10.575 1.00 45.25 C +ATOM 9507 C SER D 120 -8.033 14.954 10.676 1.00 48.27 C +ATOM 9508 O SER D 120 -9.017 15.382 11.302 1.00 42.66 O +ATOM 9509 CB SER D 120 -5.918 15.703 11.850 1.00 39.27 C +ATOM 9510 OG SER D 120 -4.634 16.271 11.654 1.00 45.02 O +ATOM 9511 H SER D 120 -7.857 17.509 10.979 1.00 15.00 H +ATOM 9512 HG SER D 120 -4.740 17.166 11.307 1.00 15.00 H +ATOM 9513 N VAL D 121 -8.047 13.819 9.979 1.00 50.76 N +ATOM 9514 CA VAL D 121 -9.208 12.924 9.940 1.00 50.66 C +ATOM 9515 C VAL D 121 -8.949 11.644 10.728 1.00 46.86 C +ATOM 9516 O VAL D 121 -7.886 11.037 10.592 1.00 51.76 O +ATOM 9517 CB VAL D 121 -9.545 12.531 8.490 1.00 47.63 C +ATOM 9518 CG1 VAL D 121 -10.899 11.849 8.433 1.00 49.73 C +ATOM 9519 CG2 VAL D 121 -9.497 13.748 7.587 1.00 41.95 C +ATOM 9520 H VAL D 121 -7.249 13.541 9.489 1.00 15.00 H +ATOM 9521 N TYR D 122 -9.940 11.192 11.488 1.00 33.63 N +ATOM 9522 CA TYR D 122 -9.770 9.998 12.296 1.00 24.85 C +ATOM 9523 C TYR D 122 -10.919 9.032 12.139 1.00 27.21 C +ATOM 9524 O TYR D 122 -12.052 9.361 12.470 1.00 20.58 O +ATOM 9525 CB TYR D 122 -9.655 10.379 13.771 1.00 22.13 C +ATOM 9526 CG TYR D 122 -8.478 11.266 14.092 1.00 15.36 C +ATOM 9527 CD1 TYR D 122 -7.207 10.944 13.642 1.00 11.62 C +ATOM 9528 CD2 TYR D 122 -8.645 12.450 14.816 1.00 14.79 C +ATOM 9529 CE1 TYR D 122 -6.130 11.770 13.887 1.00 14.59 C +ATOM 9530 CE2 TYR D 122 -7.575 13.290 15.069 1.00 7.70 C +ATOM 9531 CZ TYR D 122 -6.316 12.941 14.594 1.00 21.65 C +ATOM 9532 OH TYR D 122 -5.234 13.772 14.801 1.00 42.06 O +ATOM 9533 H TYR D 122 -10.804 11.635 11.469 1.00 15.00 H +ATOM 9534 HH TYR D 122 -4.439 13.406 14.390 1.00 15.00 H +ATOM 9535 N PRO D 123 -10.645 7.823 11.628 1.00 30.24 N +ATOM 9536 CA PRO D 123 -11.692 6.815 11.443 1.00 31.93 C +ATOM 9537 C PRO D 123 -12.191 6.280 12.775 1.00 38.21 C +ATOM 9538 O PRO D 123 -11.448 5.637 13.522 1.00 48.27 O +ATOM 9539 CB PRO D 123 -10.993 5.740 10.609 1.00 30.90 C +ATOM 9540 CG PRO D 123 -9.573 5.867 11.007 1.00 34.05 C +ATOM 9541 CD PRO D 123 -9.369 7.360 11.065 1.00 30.69 C +ATOM 9542 N LEU D 124 -13.442 6.582 13.087 1.00 36.67 N +ATOM 9543 CA LEU D 124 -14.025 6.128 14.333 1.00 38.21 C +ATOM 9544 C LEU D 124 -14.710 4.788 14.174 1.00 44.51 C +ATOM 9545 O LEU D 124 -15.922 4.728 13.939 1.00 44.98 O +ATOM 9546 CB LEU D 124 -15.030 7.140 14.871 1.00 33.19 C +ATOM 9547 CG LEU D 124 -14.539 8.509 15.320 1.00 30.92 C +ATOM 9548 CD1 LEU D 124 -15.743 9.326 15.769 1.00 38.23 C +ATOM 9549 CD2 LEU D 124 -13.538 8.369 16.448 1.00 38.37 C +ATOM 9550 H LEU D 124 -13.999 7.103 12.473 1.00 15.00 H +ATOM 9551 N ALA D 125 -13.925 3.716 14.257 1.00 51.07 N +ATOM 9552 CA ALA D 125 -14.467 2.360 14.173 1.00 59.21 C +ATOM 9553 C ALA D 125 -15.209 2.125 15.496 1.00 61.82 C +ATOM 9554 O ALA D 125 -14.928 2.790 16.493 1.00 70.42 O +ATOM 9555 CB ALA D 125 -13.332 1.354 14.017 1.00 55.73 C +ATOM 9556 H ALA D 125 -12.971 3.851 14.425 1.00 15.00 H +ATOM 9557 N PRO D 126 -16.190 1.214 15.519 1.00 61.12 N +ATOM 9558 CA PRO D 126 -16.891 0.996 16.786 1.00 63.91 C +ATOM 9559 C PRO D 126 -15.994 0.306 17.812 1.00 74.61 C +ATOM 9560 O PRO D 126 -14.870 -0.103 17.495 1.00 74.15 O +ATOM 9561 CB PRO D 126 -18.072 0.134 16.368 1.00 62.93 C +ATOM 9562 CG PRO D 126 -17.511 -0.662 15.235 1.00 61.32 C +ATOM 9563 CD PRO D 126 -16.761 0.381 14.451 1.00 61.32 C +ATOM 9564 N VAL D 127 -16.503 0.166 19.034 1.00 86.44 N +ATOM 9565 CA VAL D 127 -15.755 -0.447 20.135 1.00100.23 C +ATOM 9566 C VAL D 127 -15.235 -1.853 19.872 1.00109.52 C +ATOM 9567 O VAL D 127 -15.934 -2.687 19.288 1.00111.32 O +ATOM 9568 CB VAL D 127 -16.579 -0.465 21.444 1.00100.57 C +ATOM 9569 CG1 VAL D 127 -16.970 0.949 21.826 1.00105.70 C +ATOM 9570 CG2 VAL D 127 -17.818 -1.343 21.295 1.00 99.71 C +ATOM 9571 H VAL D 127 -17.412 0.481 19.193 1.00 15.00 H +ATOM 9572 N CYS D 128 -14.018 -2.118 20.350 1.00120.07 N +ATOM 9573 CA CYS D 128 -13.388 -3.426 20.182 1.00130.84 C +ATOM 9574 C CYS D 128 -14.334 -4.514 20.658 1.00134.59 C +ATOM 9575 O CYS D 128 -14.353 -5.614 20.105 1.00134.97 O +ATOM 9576 CB CYS D 128 -12.052 -3.506 20.925 1.00136.66 C +ATOM 9577 SG CYS D 128 -12.083 -3.008 22.678 1.00150.08 S +ATOM 9578 H CYS D 128 -13.520 -1.417 20.817 1.00 15.00 H +ATOM 9579 N GLY D 129 -15.100 -4.207 21.703 1.00138.05 N +ATOM 9580 CA GLY D 129 -16.083 -5.149 22.197 1.00142.54 C +ATOM 9581 C GLY D 129 -17.180 -5.075 21.155 1.00145.13 C +ATOM 9582 O GLY D 129 -18.164 -4.349 21.321 1.00144.94 O +ATOM 9583 H GLY D 129 -15.004 -3.337 22.132 1.00 15.00 H +ATOM 9584 N ASP D 130 -16.960 -5.778 20.049 1.00147.60 N +ATOM 9585 CA ASP D 130 -17.874 -5.800 18.917 1.00151.17 C +ATOM 9586 C ASP D 130 -19.349 -5.911 19.285 1.00152.29 C +ATOM 9587 O ASP D 130 -19.904 -7.007 19.424 1.00153.03 O +ATOM 9588 CB ASP D 130 -17.457 -6.888 17.919 1.00154.41 C +ATOM 9589 CG ASP D 130 -16.046 -6.670 17.363 1.00156.03 C +ATOM 9590 OD1 ASP D 130 -15.636 -5.499 17.197 1.00155.55 O +ATOM 9591 OD2 ASP D 130 -15.346 -7.671 17.094 1.00157.14 O +ATOM 9592 H ASP D 130 -16.136 -6.305 19.988 1.00 15.00 H +ATOM 9593 N THR D 133 -19.970 -4.749 19.458 1.00153.23 N +ATOM 9594 CA THR D 133 -21.381 -4.657 19.800 1.00152.95 C +ATOM 9595 C THR D 133 -22.203 -4.997 18.547 1.00152.36 C +ATOM 9596 O THR D 133 -22.699 -4.111 17.843 1.00155.10 O +ATOM 9597 CB THR D 133 -21.720 -3.235 20.332 1.00151.96 C +ATOM 9598 OG1 THR D 133 -20.862 -2.923 21.440 1.00149.42 O +ATOM 9599 CG2 THR D 133 -23.173 -3.157 20.795 1.00150.58 C +ATOM 9600 H THR D 133 -19.447 -3.927 19.368 1.00 15.00 H +ATOM 9601 HG1 THR D 133 -19.963 -3.254 21.300 1.00 15.00 H +ATOM 9602 N THR D 134 -22.283 -6.290 18.247 1.00146.94 N +ATOM 9603 CA THR D 134 -23.019 -6.781 17.089 1.00138.98 C +ATOM 9604 C THR D 134 -24.525 -6.629 17.296 1.00134.18 C +ATOM 9605 O THR D 134 -25.008 -6.680 18.426 1.00134.35 O +ATOM 9606 CB THR D 134 -22.681 -8.263 16.821 1.00138.13 C +ATOM 9607 OG1 THR D 134 -22.927 -9.037 18.002 1.00139.38 O +ATOM 9608 CG2 THR D 134 -21.216 -8.408 16.432 1.00137.23 C +ATOM 9609 H THR D 134 -21.849 -6.930 18.845 1.00 15.00 H +ATOM 9610 HG1 THR D 134 -22.329 -8.798 18.716 1.00 15.00 H +ATOM 9611 N GLY D 135 -25.255 -6.426 16.203 1.00128.31 N +ATOM 9612 CA GLY D 135 -26.697 -6.268 16.283 1.00120.62 C +ATOM 9613 C GLY D 135 -27.302 -6.086 14.906 1.00116.35 C +ATOM 9614 O GLY D 135 -27.548 -7.055 14.190 1.00117.27 O +ATOM 9615 H GLY D 135 -24.823 -6.399 15.327 1.00 15.00 H +ATOM 9616 N SER D 136 -27.509 -4.834 14.519 1.00113.44 N +ATOM 9617 CA SER D 136 -28.083 -4.504 13.217 1.00107.55 C +ATOM 9618 C SER D 136 -27.644 -3.097 12.814 1.00103.96 C +ATOM 9619 O SER D 136 -27.198 -2.864 11.691 1.00104.49 O +ATOM 9620 CB SER D 136 -29.611 -4.588 13.284 1.00106.52 C +ATOM 9621 OG SER D 136 -30.107 -3.922 14.435 1.00104.05 O +ATOM 9622 H SER D 136 -27.283 -4.110 15.136 1.00 15.00 H +ATOM 9623 HG SER D 136 -31.066 -4.022 14.466 1.00 15.00 H +ATOM 9624 N SER D 137 -27.755 -2.170 13.757 1.00 96.51 N +ATOM 9625 CA SER D 137 -27.371 -0.785 13.542 1.00 86.98 C +ATOM 9626 C SER D 137 -25.883 -0.564 13.849 1.00 81.47 C +ATOM 9627 O SER D 137 -25.530 -0.045 14.917 1.00 81.26 O +ATOM 9628 CB SER D 137 -28.228 0.116 14.436 1.00 86.04 C +ATOM 9629 OG SER D 137 -28.126 -0.273 15.800 1.00 77.04 O +ATOM 9630 H SER D 137 -28.152 -2.387 14.627 1.00 15.00 H +ATOM 9631 HG SER D 137 -27.225 -0.085 16.098 1.00 15.00 H +ATOM 9632 N VAL D 138 -25.010 -0.966 12.929 1.00 70.28 N +ATOM 9633 CA VAL D 138 -23.570 -0.791 13.126 1.00 55.42 C +ATOM 9634 C VAL D 138 -23.152 0.633 12.756 1.00 53.08 C +ATOM 9635 O VAL D 138 -22.575 0.888 11.699 1.00 55.50 O +ATOM 9636 CB VAL D 138 -22.740 -1.856 12.347 1.00 45.36 C +ATOM 9637 CG1 VAL D 138 -23.183 -1.930 10.909 1.00 52.32 C +ATOM 9638 CG2 VAL D 138 -21.257 -1.545 12.412 1.00 29.81 C +ATOM 9639 H VAL D 138 -25.352 -1.343 12.087 1.00 15.00 H +ATOM 9640 N THR D 139 -23.473 1.567 13.640 1.00 48.80 N +ATOM 9641 CA THR D 139 -23.146 2.969 13.426 1.00 44.69 C +ATOM 9642 C THR D 139 -21.636 3.198 13.476 1.00 41.86 C +ATOM 9643 O THR D 139 -20.949 2.619 14.315 1.00 49.28 O +ATOM 9644 CB THR D 139 -23.833 3.846 14.503 1.00 41.72 C +ATOM 9645 OG1 THR D 139 -23.581 5.228 14.233 1.00 39.05 O +ATOM 9646 CG2 THR D 139 -23.312 3.500 15.904 1.00 43.70 C +ATOM 9647 H THR D 139 -23.922 1.289 14.464 1.00 15.00 H +ATOM 9648 HG1 THR D 139 -22.666 5.442 14.460 1.00 15.00 H +ATOM 9649 N LEU D 140 -21.115 4.005 12.560 1.00 39.13 N +ATOM 9650 CA LEU D 140 -19.689 4.321 12.557 1.00 35.60 C +ATOM 9651 C LEU D 140 -19.596 5.828 12.414 1.00 35.75 C +ATOM 9652 O LEU D 140 -20.625 6.517 12.389 1.00 37.91 O +ATOM 9653 CB LEU D 140 -18.952 3.662 11.389 1.00 34.62 C +ATOM 9654 CG LEU D 140 -19.293 2.273 10.848 1.00 30.71 C +ATOM 9655 CD1 LEU D 140 -18.188 1.890 9.887 1.00 29.51 C +ATOM 9656 CD2 LEU D 140 -19.398 1.239 11.934 1.00 29.56 C +ATOM 9657 H LEU D 140 -21.686 4.408 11.877 1.00 15.00 H +ATOM 9658 N GLY D 141 -18.376 6.340 12.302 1.00 33.48 N +ATOM 9659 CA GLY D 141 -18.202 7.772 12.144 1.00 35.24 C +ATOM 9660 C GLY D 141 -16.754 8.150 11.954 1.00 34.44 C +ATOM 9661 O GLY D 141 -15.885 7.276 11.949 1.00 43.28 O +ATOM 9662 H GLY D 141 -17.569 5.778 12.343 1.00 15.00 H +ATOM 9663 N CYS D 142 -16.497 9.422 11.676 1.00 26.00 N +ATOM 9664 CA CYS D 142 -15.129 9.891 11.542 1.00 24.97 C +ATOM 9665 C CYS D 142 -15.016 11.306 12.070 1.00 26.02 C +ATOM 9666 O CYS D 142 -15.946 12.115 11.951 1.00 25.03 O +ATOM 9667 CB CYS D 142 -14.569 9.744 10.123 1.00 33.44 C +ATOM 9668 SG CYS D 142 -15.348 10.690 8.778 1.00 62.48 S +ATOM 9669 H CYS D 142 -17.233 10.061 11.562 1.00 15.00 H +ATOM 9670 N LEU D 143 -13.926 11.538 12.787 1.00 27.58 N +ATOM 9671 CA LEU D 143 -13.648 12.815 13.407 1.00 30.83 C +ATOM 9672 C LEU D 143 -12.778 13.582 12.467 1.00 31.06 C +ATOM 9673 O LEU D 143 -11.847 13.021 11.892 1.00 27.88 O +ATOM 9674 CB LEU D 143 -12.842 12.603 14.686 1.00 31.96 C +ATOM 9675 CG LEU D 143 -13.237 13.256 16.017 1.00 34.83 C +ATOM 9676 CD1 LEU D 143 -12.078 13.024 16.975 1.00 33.50 C +ATOM 9677 CD2 LEU D 143 -13.537 14.744 15.893 1.00 14.09 C +ATOM 9678 H LEU D 143 -13.265 10.822 12.877 1.00 15.00 H +ATOM 9679 N VAL D 144 -13.072 14.867 12.334 1.00 34.65 N +ATOM 9680 CA VAL D 144 -12.299 15.768 11.489 1.00 38.49 C +ATOM 9681 C VAL D 144 -11.940 16.868 12.469 1.00 36.56 C +ATOM 9682 O VAL D 144 -12.794 17.689 12.833 1.00 41.77 O +ATOM 9683 CB VAL D 144 -13.160 16.354 10.344 1.00 39.06 C +ATOM 9684 CG1 VAL D 144 -12.308 17.228 9.464 1.00 33.45 C +ATOM 9685 CG2 VAL D 144 -13.814 15.235 9.524 1.00 35.61 C +ATOM 9686 H VAL D 144 -13.832 15.240 12.821 1.00 15.00 H +ATOM 9687 N LYS D 145 -10.701 16.885 12.935 1.00 30.03 N +ATOM 9688 CA LYS D 145 -10.357 17.888 13.922 1.00 32.91 C +ATOM 9689 C LYS D 145 -9.221 18.802 13.539 1.00 32.48 C +ATOM 9690 O LYS D 145 -8.313 18.413 12.796 1.00 40.56 O +ATOM 9691 CB LYS D 145 -10.065 17.215 15.270 1.00 37.61 C +ATOM 9692 CG LYS D 145 -10.068 18.154 16.482 1.00 51.82 C +ATOM 9693 CD LYS D 145 -9.687 17.420 17.780 1.00 57.28 C +ATOM 9694 CE LYS D 145 -10.134 18.175 19.047 1.00 55.62 C +ATOM 9695 NZ LYS D 145 -9.363 19.422 19.345 1.00 57.70 N +ATOM 9696 H LYS D 145 -10.032 16.251 12.616 1.00 15.00 H +ATOM 9697 HZ1 LYS D 145 -9.442 20.086 18.549 1.00 15.00 H +ATOM 9698 HZ2 LYS D 145 -9.743 19.861 20.208 1.00 15.00 H +ATOM 9699 HZ3 LYS D 145 -8.364 19.177 19.495 1.00 15.00 H +ATOM 9700 N GLY D 146 -9.326 20.038 14.017 1.00 29.70 N +ATOM 9701 CA GLY D 146 -8.304 21.045 13.807 1.00 29.22 C +ATOM 9702 C GLY D 146 -8.103 21.576 12.409 1.00 38.26 C +ATOM 9703 O GLY D 146 -7.069 21.311 11.790 1.00 42.75 O +ATOM 9704 H GLY D 146 -10.144 20.295 14.495 1.00 15.00 H +ATOM 9705 N TYR D 147 -9.065 22.361 11.926 1.00 35.55 N +ATOM 9706 CA TYR D 147 -8.969 22.951 10.595 1.00 26.46 C +ATOM 9707 C TYR D 147 -9.494 24.384 10.596 1.00 25.84 C +ATOM 9708 O TYR D 147 -10.328 24.749 11.433 1.00 24.16 O +ATOM 9709 CB TYR D 147 -9.742 22.117 9.579 1.00 22.56 C +ATOM 9710 CG TYR D 147 -11.253 22.219 9.688 1.00 30.04 C +ATOM 9711 CD1 TYR D 147 -11.947 23.268 9.086 1.00 33.66 C +ATOM 9712 CD2 TYR D 147 -11.991 21.250 10.356 1.00 34.11 C +ATOM 9713 CE1 TYR D 147 -13.327 23.342 9.142 1.00 34.66 C +ATOM 9714 CE2 TYR D 147 -13.381 21.316 10.416 1.00 28.78 C +ATOM 9715 CZ TYR D 147 -14.036 22.361 9.804 1.00 32.42 C +ATOM 9716 OH TYR D 147 -15.405 22.406 9.812 1.00 37.95 O +ATOM 9717 H TYR D 147 -9.857 22.541 12.472 1.00 15.00 H +ATOM 9718 HH TYR D 147 -15.723 21.636 10.288 1.00 15.00 H +ATOM 9719 N PHE D 148 -8.994 25.192 9.662 1.00 25.36 N +ATOM 9720 CA PHE D 148 -9.416 26.593 9.521 1.00 23.46 C +ATOM 9721 C PHE D 148 -9.214 27.043 8.070 1.00 22.40 C +ATOM 9722 O PHE D 148 -8.189 26.741 7.455 1.00 19.10 O +ATOM 9723 CB PHE D 148 -8.612 27.517 10.451 1.00 8.73 C +ATOM 9724 CG PHE D 148 -9.313 28.821 10.792 1.00 4.62 C +ATOM 9725 CD1 PHE D 148 -10.411 28.841 11.635 1.00 8.70 C +ATOM 9726 CD2 PHE D 148 -8.859 30.027 10.291 1.00 11.83 C +ATOM 9727 CE1 PHE D 148 -11.047 30.046 11.971 1.00 2.00 C +ATOM 9728 CE2 PHE D 148 -9.496 31.234 10.629 1.00 12.45 C +ATOM 9729 CZ PHE D 148 -10.591 31.232 11.471 1.00 2.00 C +ATOM 9730 H PHE D 148 -8.291 24.854 9.063 1.00 15.00 H +ATOM 9731 N PRO D 149 -10.220 27.717 7.488 1.00 18.58 N +ATOM 9732 CA PRO D 149 -11.481 28.037 8.153 1.00 21.78 C +ATOM 9733 C PRO D 149 -12.583 27.186 7.544 1.00 25.21 C +ATOM 9734 O PRO D 149 -12.307 26.209 6.843 1.00 12.20 O +ATOM 9735 CB PRO D 149 -11.667 29.489 7.778 1.00 23.79 C +ATOM 9736 CG PRO D 149 -11.254 29.449 6.313 1.00 25.20 C +ATOM 9737 CD PRO D 149 -10.114 28.457 6.222 1.00 5.54 C +ATOM 9738 N GLU D 150 -13.827 27.545 7.837 1.00 34.02 N +ATOM 9739 CA GLU D 150 -14.964 26.834 7.276 1.00 36.98 C +ATOM 9740 C GLU D 150 -14.893 27.069 5.774 1.00 39.49 C +ATOM 9741 O GLU D 150 -14.423 28.117 5.333 1.00 45.22 O +ATOM 9742 CB GLU D 150 -16.269 27.410 7.823 1.00 35.90 C +ATOM 9743 CG GLU D 150 -16.703 26.840 9.171 1.00 40.23 C +ATOM 9744 CD GLU D 150 -17.629 25.642 9.030 1.00 47.69 C +ATOM 9745 OE1 GLU D 150 -17.162 24.571 8.569 1.00 35.93 O +ATOM 9746 OE2 GLU D 150 -18.829 25.780 9.375 1.00 55.92 O +ATOM 9747 H GLU D 150 -13.999 28.326 8.399 1.00 15.00 H +ATOM 9748 N PRO D 151 -15.344 26.102 4.972 1.00 39.02 N +ATOM 9749 CA PRO D 151 -15.892 24.843 5.449 1.00 42.66 C +ATOM 9750 C PRO D 151 -15.115 23.670 4.868 1.00 42.03 C +ATOM 9751 O PRO D 151 -14.081 23.857 4.218 1.00 36.09 O +ATOM 9752 CB PRO D 151 -17.303 24.897 4.892 1.00 48.08 C +ATOM 9753 CG PRO D 151 -17.064 25.474 3.505 1.00 41.70 C +ATOM 9754 CD PRO D 151 -15.824 26.365 3.606 1.00 38.57 C +ATOM 9755 N VAL D 152 -15.618 22.467 5.131 1.00 42.89 N +ATOM 9756 CA VAL D 152 -15.017 21.233 4.638 1.00 36.24 C +ATOM 9757 C VAL D 152 -16.137 20.413 4.026 1.00 37.61 C +ATOM 9758 O VAL D 152 -17.319 20.603 4.356 1.00 35.26 O +ATOM 9759 CB VAL D 152 -14.393 20.379 5.773 1.00 32.10 C +ATOM 9760 CG1 VAL D 152 -13.304 21.136 6.469 1.00 19.56 C +ATOM 9761 CG2 VAL D 152 -15.457 19.955 6.770 1.00 33.97 C +ATOM 9762 H VAL D 152 -16.443 22.372 5.652 1.00 15.00 H +ATOM 9763 N THR D 153 -15.767 19.476 3.169 1.00 32.53 N +ATOM 9764 CA THR D 153 -16.758 18.646 2.539 1.00 44.58 C +ATOM 9765 C THR D 153 -16.500 17.221 2.979 1.00 43.58 C +ATOM 9766 O THR D 153 -15.451 16.651 2.679 1.00 46.19 O +ATOM 9767 CB THR D 153 -16.683 18.789 1.016 1.00 54.39 C +ATOM 9768 OG1 THR D 153 -16.717 20.185 0.668 1.00 55.31 O +ATOM 9769 CG2 THR D 153 -17.862 18.091 0.364 1.00 66.03 C +ATOM 9770 H THR D 153 -14.819 19.327 2.971 1.00 15.00 H +ATOM 9771 HG1 THR D 153 -16.054 20.658 1.174 1.00 15.00 H +ATOM 9772 N LEU D 154 -17.427 16.689 3.765 1.00 40.71 N +ATOM 9773 CA LEU D 154 -17.325 15.340 4.280 1.00 41.62 C +ATOM 9774 C LEU D 154 -18.385 14.473 3.624 1.00 47.44 C +ATOM 9775 O LEU D 154 -19.574 14.764 3.715 1.00 53.14 O +ATOM 9776 CB LEU D 154 -17.515 15.371 5.795 1.00 41.95 C +ATOM 9777 CG LEU D 154 -17.735 14.088 6.595 1.00 41.09 C +ATOM 9778 CD1 LEU D 154 -16.847 12.963 6.094 1.00 50.65 C +ATOM 9779 CD2 LEU D 154 -17.437 14.380 8.047 1.00 38.52 C +ATOM 9780 H LEU D 154 -18.227 17.208 3.985 1.00 15.00 H +ATOM 9781 N THR D 156 -17.951 13.410 2.961 1.00 52.15 N +ATOM 9782 CA THR D 156 -18.863 12.500 2.290 1.00 54.40 C +ATOM 9783 C THR D 156 -18.360 11.069 2.467 1.00 54.77 C +ATOM 9784 O THR D 156 -17.164 10.843 2.657 1.00 52.44 O +ATOM 9785 CB THR D 156 -18.985 12.838 0.779 1.00 61.56 C +ATOM 9786 OG1 THR D 156 -19.958 11.980 0.173 1.00 70.84 O +ATOM 9787 CG2 THR D 156 -17.648 12.657 0.062 1.00 60.42 C +ATOM 9788 H THR D 156 -17.007 13.196 2.925 1.00 15.00 H +ATOM 9789 HG1 THR D 156 -20.855 12.214 0.446 1.00 15.00 H +ATOM 9790 N TRP D 157 -19.268 10.103 2.382 1.00 51.63 N +ATOM 9791 CA TRP D 157 -18.904 8.700 2.536 1.00 50.05 C +ATOM 9792 C TRP D 157 -18.994 8.015 1.181 1.00 50.37 C +ATOM 9793 O TRP D 157 -19.880 8.318 0.390 1.00 49.01 O +ATOM 9794 CB TRP D 157 -19.842 7.998 3.527 1.00 48.75 C +ATOM 9795 CG TRP D 157 -19.915 8.635 4.892 1.00 41.85 C +ATOM 9796 CD1 TRP D 157 -20.672 9.712 5.255 1.00 44.99 C +ATOM 9797 CD2 TRP D 157 -19.222 8.221 6.072 1.00 42.60 C +ATOM 9798 NE1 TRP D 157 -20.496 9.995 6.588 1.00 37.13 N +ATOM 9799 CE2 TRP D 157 -19.613 9.096 7.116 1.00 41.64 C +ATOM 9800 CE3 TRP D 157 -18.309 7.198 6.354 1.00 42.47 C +ATOM 9801 CZ2 TRP D 157 -19.122 8.977 8.416 1.00 38.04 C +ATOM 9802 CZ3 TRP D 157 -17.820 7.079 7.648 1.00 33.99 C +ATOM 9803 CH2 TRP D 157 -18.229 7.965 8.663 1.00 42.13 C +ATOM 9804 H TRP D 157 -20.200 10.316 2.164 1.00 15.00 H +ATOM 9805 HE1 TRP D 157 -20.886 10.754 7.087 1.00 15.00 H +ATOM 9806 N ASN D 162 -18.075 7.088 0.921 1.00 57.28 N +ATOM 9807 CA ASN D 162 -18.035 6.351 -0.345 1.00 61.19 C +ATOM 9808 C ASN D 162 -17.963 7.297 -1.537 1.00 64.24 C +ATOM 9809 O ASN D 162 -18.556 7.049 -2.586 1.00 63.06 O +ATOM 9810 CB ASN D 162 -19.252 5.427 -0.481 1.00 63.35 C +ATOM 9811 CG ASN D 162 -19.169 4.205 0.414 1.00 66.33 C +ATOM 9812 OD1 ASN D 162 -20.189 3.718 0.905 1.00 70.11 O +ATOM 9813 ND2 ASN D 162 -17.959 3.689 0.616 1.00 60.00 N +ATOM 9814 H ASN D 162 -17.399 6.908 1.612 1.00 15.00 H +ATOM 9815 HD21 ASN D 162 -17.889 2.886 1.178 1.00 15.00 H +ATOM 9816 HD22 ASN D 162 -17.172 4.085 0.195 1.00 15.00 H +ATOM 9817 N SER D 163 -17.257 8.404 -1.345 1.00 71.97 N +ATOM 9818 CA SER D 163 -17.090 9.416 -2.377 1.00 77.45 C +ATOM 9819 C SER D 163 -18.416 10.039 -2.815 1.00 77.34 C +ATOM 9820 O SER D 163 -18.480 10.709 -3.844 1.00 83.00 O +ATOM 9821 CB SER D 163 -16.340 8.833 -3.577 1.00 78.73 C +ATOM 9822 OG SER D 163 -15.071 8.342 -3.176 1.00 85.47 O +ATOM 9823 H SER D 163 -16.838 8.547 -0.490 1.00 15.00 H +ATOM 9824 HG SER D 163 -14.537 9.052 -2.797 1.00 15.00 H +ATOM 9825 N GLY D 164 -19.468 9.828 -2.029 1.00 73.90 N +ATOM 9826 CA GLY D 164 -20.754 10.405 -2.365 1.00 67.57 C +ATOM 9827 C GLY D 164 -21.936 9.460 -2.361 1.00 68.87 C +ATOM 9828 O GLY D 164 -23.051 9.877 -2.036 1.00 72.43 O +ATOM 9829 H GLY D 164 -19.416 9.302 -1.212 1.00 15.00 H +ATOM 9830 N SER D 165 -21.707 8.197 -2.707 1.00 67.16 N +ATOM 9831 CA SER D 165 -22.787 7.209 -2.770 1.00 66.57 C +ATOM 9832 C SER D 165 -23.603 7.026 -1.488 1.00 62.18 C +ATOM 9833 O SER D 165 -24.827 7.211 -1.477 1.00 59.77 O +ATOM 9834 CB SER D 165 -22.244 5.857 -3.246 1.00 71.97 C +ATOM 9835 OG SER D 165 -21.716 5.948 -4.561 1.00 74.80 O +ATOM 9836 H SER D 165 -20.797 7.922 -2.947 1.00 15.00 H +ATOM 9837 HG SER D 165 -21.464 5.086 -4.905 1.00 15.00 H +ATOM 9838 N LEU D 166 -22.936 6.649 -0.408 1.00 59.46 N +ATOM 9839 CA LEU D 166 -23.629 6.432 0.853 1.00 59.48 C +ATOM 9840 C LEU D 166 -24.171 7.753 1.415 1.00 56.05 C +ATOM 9841 O LEU D 166 -23.414 8.622 1.846 1.00 57.90 O +ATOM 9842 CB LEU D 166 -22.696 5.720 1.843 1.00 53.78 C +ATOM 9843 CG LEU D 166 -23.310 5.105 3.104 1.00 50.39 C +ATOM 9844 CD1 LEU D 166 -24.675 4.490 2.812 1.00 41.16 C +ATOM 9845 CD2 LEU D 166 -22.353 4.067 3.669 1.00 56.07 C +ATOM 9846 H LEU D 166 -21.963 6.575 -0.433 1.00 15.00 H +ATOM 9847 N SER D 167 -25.486 7.911 1.365 1.00 55.09 N +ATOM 9848 CA SER D 167 -26.124 9.126 1.851 1.00 58.20 C +ATOM 9849 C SER D 167 -27.211 8.843 2.880 1.00 61.79 C +ATOM 9850 O SER D 167 -27.712 9.754 3.536 1.00 60.30 O +ATOM 9851 CB SER D 167 -26.727 9.889 0.668 1.00 62.09 C +ATOM 9852 OG SER D 167 -27.575 9.055 -0.114 1.00 62.05 O +ATOM 9853 H SER D 167 -26.038 7.237 0.942 1.00 15.00 H +ATOM 9854 HG SER D 167 -27.965 9.688 -0.728 1.00 15.00 H +ATOM 9855 N SER D 168 -27.560 7.571 3.030 1.00 66.92 N +ATOM 9856 CA SER D 168 -28.610 7.159 3.950 1.00 68.18 C +ATOM 9857 C SER D 168 -28.128 6.822 5.356 1.00 64.10 C +ATOM 9858 O SER D 168 -27.216 6.015 5.539 1.00 65.24 O +ATOM 9859 CB SER D 168 -29.357 5.965 3.354 1.00 77.16 C +ATOM 9860 OG SER D 168 -28.444 5.009 2.835 1.00 90.41 O +ATOM 9861 H SER D 168 -27.103 6.862 2.543 1.00 15.00 H +ATOM 9862 HG SER D 168 -28.002 4.605 3.600 1.00 15.00 H +ATOM 9863 N GLY D 169 -28.766 7.430 6.348 1.00 57.15 N +ATOM 9864 CA GLY D 169 -28.398 7.170 7.725 1.00 50.77 C +ATOM 9865 C GLY D 169 -27.184 7.956 8.161 1.00 45.68 C +ATOM 9866 O GLY D 169 -26.694 7.809 9.286 1.00 49.25 O +ATOM 9867 H GLY D 169 -29.473 8.079 6.151 1.00 15.00 H +ATOM 9868 N VAL D 171 -26.694 8.804 7.272 1.00 38.33 N +ATOM 9869 CA VAL D 171 -25.542 9.605 7.604 1.00 38.54 C +ATOM 9870 C VAL D 171 -25.999 10.852 8.349 1.00 41.85 C +ATOM 9871 O VAL D 171 -27.175 11.224 8.293 1.00 45.14 O +ATOM 9872 CB VAL D 171 -24.783 10.010 6.353 1.00 35.01 C +ATOM 9873 CG1 VAL D 171 -25.664 10.865 5.468 1.00 42.37 C +ATOM 9874 CG2 VAL D 171 -23.525 10.757 6.736 1.00 47.81 C +ATOM 9875 H VAL D 171 -27.127 8.935 6.409 1.00 15.00 H +ATOM 9876 N HIS D 172 -25.089 11.428 9.127 1.00 43.70 N +ATOM 9877 CA HIS D 172 -25.343 12.649 9.886 1.00 41.28 C +ATOM 9878 C HIS D 172 -24.015 13.395 9.928 1.00 39.88 C +ATOM 9879 O HIS D 172 -22.962 12.782 10.107 1.00 44.13 O +ATOM 9880 CB HIS D 172 -25.784 12.336 11.315 1.00 33.69 C +ATOM 9881 CG HIS D 172 -27.115 11.670 11.408 1.00 42.90 C +ATOM 9882 ND1 HIS D 172 -27.277 10.309 11.261 1.00 42.74 N +ATOM 9883 CD2 HIS D 172 -28.349 12.174 11.650 1.00 50.23 C +ATOM 9884 CE1 HIS D 172 -28.554 10.003 11.408 1.00 55.11 C +ATOM 9885 NE2 HIS D 172 -29.226 11.117 11.647 1.00 57.25 N +ATOM 9886 H HIS D 172 -24.203 11.009 9.230 1.00 15.00 H +ATOM 9887 HD1 HIS D 172 -26.565 9.654 11.074 1.00 15.00 H +ATOM 9888 HE2 HIS D 172 -30.194 11.181 11.828 1.00 15.00 H +ATOM 9889 N THR D 173 -24.051 14.698 9.702 1.00 30.40 N +ATOM 9890 CA THR D 173 -22.840 15.488 9.744 1.00 25.77 C +ATOM 9891 C THR D 173 -23.148 16.642 10.665 1.00 27.51 C +ATOM 9892 O THR D 173 -24.180 17.305 10.542 1.00 36.72 O +ATOM 9893 CB THR D 173 -22.375 15.908 8.336 1.00 34.83 C +ATOM 9894 OG1 THR D 173 -21.993 14.730 7.609 1.00 46.20 O +ATOM 9895 CG2 THR D 173 -21.176 16.845 8.403 1.00 13.61 C +ATOM 9896 H THR D 173 -24.890 15.166 9.512 1.00 15.00 H +ATOM 9897 HG1 THR D 173 -21.680 14.965 6.725 1.00 15.00 H +ATOM 9898 N PHE D 174 -22.278 16.814 11.646 1.00 26.74 N +ATOM 9899 CA PHE D 174 -22.469 17.824 12.662 1.00 24.42 C +ATOM 9900 C PHE D 174 -21.864 19.192 12.424 1.00 20.05 C +ATOM 9901 O PHE D 174 -20.704 19.322 12.010 1.00 16.58 O +ATOM 9902 CB PHE D 174 -22.026 17.261 14.010 1.00 22.05 C +ATOM 9903 CG PHE D 174 -22.677 15.952 14.348 1.00 29.10 C +ATOM 9904 CD1 PHE D 174 -23.896 15.919 15.019 1.00 27.57 C +ATOM 9905 CD2 PHE D 174 -22.082 14.748 13.974 1.00 29.76 C +ATOM 9906 CE1 PHE D 174 -24.510 14.702 15.314 1.00 33.62 C +ATOM 9907 CE2 PHE D 174 -22.688 13.529 14.263 1.00 27.76 C +ATOM 9908 CZ PHE D 174 -23.902 13.505 14.933 1.00 23.45 C +ATOM 9909 H PHE D 174 -21.463 16.263 11.688 1.00 15.00 H +ATOM 9910 N PRO D 175 -22.688 20.236 12.602 1.00 16.46 N +ATOM 9911 CA PRO D 175 -22.263 21.617 12.429 1.00 18.93 C +ATOM 9912 C PRO D 175 -20.943 21.747 13.149 1.00 23.33 C +ATOM 9913 O PRO D 175 -20.889 21.691 14.375 1.00 32.36 O +ATOM 9914 CB PRO D 175 -23.359 22.386 13.151 1.00 4.23 C +ATOM 9915 CG PRO D 175 -24.568 21.626 12.760 1.00 17.52 C +ATOM 9916 CD PRO D 175 -24.136 20.170 12.879 1.00 17.29 C +ATOM 9917 N ALA D 176 -19.869 21.767 12.373 1.00 25.32 N +ATOM 9918 CA ALA D 176 -18.543 21.900 12.936 1.00 28.37 C +ATOM 9919 C ALA D 176 -18.601 23.032 13.918 1.00 24.11 C +ATOM 9920 O ALA D 176 -19.387 23.953 13.737 1.00 14.31 O +ATOM 9921 CB ALA D 176 -17.545 22.227 11.858 1.00 35.73 C +ATOM 9922 H ALA D 176 -19.984 21.674 11.411 1.00 15.00 H +ATOM 9923 N VAL D 177 -17.796 22.941 14.968 1.00 32.88 N +ATOM 9924 CA VAL D 177 -17.749 23.980 15.979 1.00 38.89 C +ATOM 9925 C VAL D 177 -16.283 24.303 16.249 1.00 36.39 C +ATOM 9926 O VAL D 177 -15.406 23.510 15.896 1.00 29.57 O +ATOM 9927 CB VAL D 177 -18.461 23.521 17.251 1.00 34.40 C +ATOM 9928 CG1 VAL D 177 -17.668 22.426 17.919 1.00 34.40 C +ATOM 9929 CG2 VAL D 177 -18.716 24.705 18.170 1.00 38.12 C +ATOM 9930 H VAL D 177 -17.212 22.159 15.059 1.00 15.00 H +ATOM 9931 N LEU D 178 -16.011 25.470 16.831 1.00 40.21 N +ATOM 9932 CA LEU D 178 -14.631 25.869 17.105 1.00 49.66 C +ATOM 9933 C LEU D 178 -14.231 26.131 18.558 1.00 58.48 C +ATOM 9934 O LEU D 178 -15.015 26.655 19.361 1.00 58.28 O +ATOM 9935 CB LEU D 178 -14.222 27.079 16.247 1.00 47.39 C +ATOM 9936 CG LEU D 178 -15.070 28.356 16.095 1.00 46.93 C +ATOM 9937 CD1 LEU D 178 -15.829 28.732 17.361 1.00 39.67 C +ATOM 9938 CD2 LEU D 178 -14.160 29.505 15.642 1.00 39.11 C +ATOM 9939 H LEU D 178 -16.732 26.072 17.103 1.00 15.00 H +ATOM 9940 N GLN D 179 -12.989 25.775 18.876 1.00 65.80 N +ATOM 9941 CA GLN D 179 -12.425 25.988 20.202 1.00 71.50 C +ATOM 9942 C GLN D 179 -10.992 26.483 20.008 1.00 69.69 C +ATOM 9943 O GLN D 179 -10.131 25.754 19.500 1.00 60.47 O +ATOM 9944 CB GLN D 179 -12.451 24.701 21.042 1.00 81.88 C +ATOM 9945 CG GLN D 179 -12.112 24.925 22.529 1.00101.61 C +ATOM 9946 CD GLN D 179 -12.176 23.654 23.386 1.00111.79 C +ATOM 9947 OE1 GLN D 179 -13.007 23.546 24.291 1.00115.11 O +ATOM 9948 NE2 GLN D 179 -11.271 22.711 23.130 1.00118.08 N +ATOM 9949 H GLN D 179 -12.426 25.348 18.190 1.00 15.00 H +ATOM 9950 HE21 GLN D 179 -11.321 21.895 23.670 1.00 15.00 H +ATOM 9951 HE22 GLN D 179 -10.612 22.885 22.427 1.00 15.00 H +ATOM 9952 N SER D 180 -10.786 27.756 20.337 1.00 71.52 N +ATOM 9953 CA SER D 180 -9.488 28.413 20.227 1.00 78.76 C +ATOM 9954 C SER D 180 -8.814 28.264 18.864 1.00 78.51 C +ATOM 9955 O SER D 180 -7.921 27.437 18.681 1.00 82.48 O +ATOM 9956 CB SER D 180 -8.556 27.941 21.346 1.00 81.94 C +ATOM 9957 OG SER D 180 -9.139 28.194 22.615 1.00 88.37 O +ATOM 9958 H SER D 180 -11.532 28.266 20.708 1.00 15.00 H +ATOM 9959 HG SER D 180 -9.157 29.134 22.834 1.00 15.00 H +ATOM 9960 N ASP D 183 -9.277 29.072 17.913 1.00 76.98 N +ATOM 9961 CA ASP D 183 -8.757 29.111 16.546 1.00 70.01 C +ATOM 9962 C ASP D 183 -8.793 27.810 15.746 1.00 58.07 C +ATOM 9963 O ASP D 183 -8.156 27.720 14.698 1.00 53.61 O +ATOM 9964 CB ASP D 183 -7.335 29.707 16.516 1.00 84.29 C +ATOM 9965 CG ASP D 183 -7.330 31.237 16.510 1.00 96.41 C +ATOM 9966 OD1 ASP D 183 -8.275 31.837 15.948 1.00101.53 O +ATOM 9967 OD2 ASP D 183 -6.374 31.844 17.052 1.00100.67 O +ATOM 9968 H ASP D 183 -10.011 29.671 18.140 1.00 15.00 H +ATOM 9969 N LEU D 184 -9.524 26.804 16.218 1.00 42.24 N +ATOM 9970 CA LEU D 184 -9.604 25.553 15.477 1.00 25.31 C +ATOM 9971 C LEU D 184 -10.999 24.987 15.422 1.00 21.08 C +ATOM 9972 O LEU D 184 -11.763 25.111 16.372 1.00 22.04 O +ATOM 9973 CB LEU D 184 -8.650 24.514 16.047 1.00 30.65 C +ATOM 9974 CG LEU D 184 -7.158 24.755 15.782 1.00 31.63 C +ATOM 9975 CD1 LEU D 184 -6.351 23.621 16.401 1.00 36.64 C +ATOM 9976 CD2 LEU D 184 -6.874 24.861 14.280 1.00 15.05 C +ATOM 9977 H LEU D 184 -9.987 26.863 17.075 1.00 15.00 H +ATOM 9978 N TYR D 185 -11.342 24.424 14.271 1.00 18.10 N +ATOM 9979 CA TYR D 185 -12.644 23.813 14.061 1.00 19.99 C +ATOM 9980 C TYR D 185 -12.554 22.304 14.219 1.00 23.51 C +ATOM 9981 O TYR D 185 -11.501 21.696 14.005 1.00 27.17 O +ATOM 9982 CB TYR D 185 -13.191 24.133 12.660 1.00 27.82 C +ATOM 9983 CG TYR D 185 -13.832 25.492 12.531 1.00 23.46 C +ATOM 9984 CD1 TYR D 185 -15.121 25.721 13.004 1.00 23.21 C +ATOM 9985 CD2 TYR D 185 -13.144 26.558 11.954 1.00 28.69 C +ATOM 9986 CE1 TYR D 185 -15.713 26.982 12.907 1.00 26.36 C +ATOM 9987 CE2 TYR D 185 -13.726 27.820 11.854 1.00 27.81 C +ATOM 9988 CZ TYR D 185 -15.008 28.025 12.330 1.00 23.78 C +ATOM 9989 OH TYR D 185 -15.589 29.265 12.203 1.00 29.69 O +ATOM 9990 H TYR D 185 -10.706 24.427 13.527 1.00 15.00 H +ATOM 9991 HH TYR D 185 -16.483 29.239 12.554 1.00 15.00 H +ATOM 9992 N THR D 186 -13.689 21.706 14.541 1.00 26.25 N +ATOM 9993 CA THR D 186 -13.796 20.279 14.727 1.00 23.65 C +ATOM 9994 C THR D 186 -15.183 19.884 14.241 1.00 25.77 C +ATOM 9995 O THR D 186 -16.187 20.536 14.556 1.00 17.60 O +ATOM 9996 CB THR D 186 -13.648 19.939 16.210 1.00 32.34 C +ATOM 9997 OG1 THR D 186 -12.389 20.435 16.684 1.00 43.68 O +ATOM 9998 CG2 THR D 186 -13.719 18.439 16.430 1.00 42.91 C +ATOM 9999 H THR D 186 -14.493 22.245 14.699 1.00 15.00 H +ATOM 10000 HG1 THR D 186 -12.343 20.333 17.640 1.00 15.00 H +ATOM 10001 N LEU D 187 -15.235 18.817 13.464 1.00 28.64 N +ATOM 10002 CA LEU D 187 -16.490 18.328 12.924 1.00 35.14 C +ATOM 10003 C LEU D 187 -16.464 16.811 12.905 1.00 37.34 C +ATOM 10004 O LEU D 187 -15.417 16.199 12.689 1.00 36.98 O +ATOM 10005 CB LEU D 187 -16.689 18.887 11.512 1.00 38.24 C +ATOM 10006 CG LEU D 187 -17.532 18.156 10.469 1.00 34.87 C +ATOM 10007 CD1 LEU D 187 -18.200 19.155 9.531 1.00 21.39 C +ATOM 10008 CD2 LEU D 187 -16.645 17.194 9.694 1.00 38.79 C +ATOM 10009 H LEU D 187 -14.423 18.322 13.255 1.00 15.00 H +ATOM 10010 N SER D 188 -17.622 16.212 13.122 1.00 37.67 N +ATOM 10011 CA SER D 188 -17.744 14.766 13.136 1.00 44.75 C +ATOM 10012 C SER D 188 -18.945 14.364 12.294 1.00 48.50 C +ATOM 10013 O SER D 188 -19.868 15.159 12.107 1.00 49.64 O +ATOM 10014 CB SER D 188 -17.970 14.298 14.574 1.00 54.65 C +ATOM 10015 OG SER D 188 -19.043 15.013 15.182 1.00 44.86 O +ATOM 10016 H SER D 188 -18.441 16.722 13.283 1.00 15.00 H +ATOM 10017 HG SER D 188 -19.403 14.448 15.880 1.00 15.00 H +ATOM 10018 N SER D 189 -18.936 13.137 11.788 1.00 49.48 N +ATOM 10019 CA SER D 189 -20.049 12.625 10.989 1.00 49.08 C +ATOM 10020 C SER D 189 -20.270 11.193 11.425 1.00 50.14 C +ATOM 10021 O SER D 189 -19.296 10.463 11.653 1.00 49.72 O +ATOM 10022 CB SER D 189 -19.718 12.643 9.490 1.00 46.36 C +ATOM 10023 OG SER D 189 -20.801 12.175 8.693 1.00 37.08 O +ATOM 10024 H SER D 189 -18.162 12.552 11.930 1.00 15.00 H +ATOM 10025 HG SER D 189 -21.523 12.817 8.778 1.00 15.00 H +ATOM 10026 N SER D 190 -21.536 10.798 11.547 1.00 50.23 N +ATOM 10027 CA SER D 190 -21.890 9.444 11.955 1.00 52.23 C +ATOM 10028 C SER D 190 -22.785 8.799 10.916 1.00 55.93 C +ATOM 10029 O SER D 190 -23.827 9.356 10.562 1.00 59.53 O +ATOM 10030 CB SER D 190 -22.643 9.475 13.280 1.00 48.76 C +ATOM 10031 OG SER D 190 -23.829 10.241 13.155 1.00 47.44 O +ATOM 10032 H SER D 190 -22.273 11.412 11.341 1.00 15.00 H +ATOM 10033 HG SER D 190 -24.263 10.266 14.020 1.00 15.00 H +ATOM 10034 N VAL D 191 -22.362 7.659 10.383 1.00 59.44 N +ATOM 10035 CA VAL D 191 -23.177 6.947 9.410 1.00 57.12 C +ATOM 10036 C VAL D 191 -23.701 5.728 10.127 1.00 56.42 C +ATOM 10037 O VAL D 191 -22.938 4.872 10.560 1.00 49.96 O +ATOM 10038 CB VAL D 191 -22.399 6.527 8.128 1.00 58.12 C +ATOM 10039 CG1 VAL D 191 -21.249 5.572 8.448 1.00 53.28 C +ATOM 10040 CG2 VAL D 191 -23.357 5.889 7.134 1.00 54.18 C +ATOM 10041 H VAL D 191 -21.512 7.276 10.680 1.00 15.00 H +ATOM 10042 N THR D 192 -25.001 5.700 10.343 1.00 64.21 N +ATOM 10043 CA THR D 192 -25.617 4.581 11.024 1.00 77.23 C +ATOM 10044 C THR D 192 -25.982 3.530 9.968 1.00 83.35 C +ATOM 10045 O THR D 192 -27.155 3.257 9.724 1.00 89.20 O +ATOM 10046 CB THR D 192 -26.862 5.068 11.796 1.00 81.98 C +ATOM 10047 OG1 THR D 192 -26.699 6.457 12.129 1.00 85.37 O +ATOM 10048 CG2 THR D 192 -27.032 4.276 13.086 1.00 84.21 C +ATOM 10049 H THR D 192 -25.583 6.440 10.062 1.00 15.00 H +ATOM 10050 HG1 THR D 192 -25.860 6.529 12.597 1.00 15.00 H +ATOM 10051 N VAL D 193 -24.965 2.941 9.346 1.00 93.36 N +ATOM 10052 CA VAL D 193 -25.162 1.944 8.291 1.00105.81 C +ATOM 10053 C VAL D 193 -25.833 0.647 8.760 1.00112.96 C +ATOM 10054 O VAL D 193 -25.879 0.358 9.956 1.00113.93 O +ATOM 10055 CB VAL D 193 -23.821 1.620 7.582 1.00108.49 C +ATOM 10056 CG1 VAL D 193 -22.986 0.661 8.414 1.00109.52 C +ATOM 10057 CG2 VAL D 193 -24.069 1.074 6.190 1.00110.16 C +ATOM 10058 H VAL D 193 -24.054 3.164 9.629 1.00 15.00 H +ATOM 10059 N THR D 194 -26.346 -0.123 7.801 1.00125.64 N +ATOM 10060 CA THR D 194 -27.030 -1.392 8.065 1.00136.67 C +ATOM 10061 C THR D 194 -26.093 -2.552 8.426 1.00135.07 C +ATOM 10062 O THR D 194 -24.976 -2.646 7.906 1.00136.61 O +ATOM 10063 CB THR D 194 -27.919 -1.821 6.855 1.00144.42 C +ATOM 10064 OG1 THR D 194 -27.156 -1.774 5.638 1.00150.45 O +ATOM 10065 CG2 THR D 194 -29.136 -0.907 6.727 1.00147.68 C +ATOM 10066 H THR D 194 -26.272 0.124 6.861 1.00 15.00 H +ATOM 10067 HG1 THR D 194 -27.715 -2.077 4.912 1.00 15.00 H +ATOM 10068 N SER D 195 -26.589 -3.457 9.271 1.00130.10 N +ATOM 10069 CA SER D 195 -25.836 -4.623 9.727 1.00123.90 C +ATOM 10070 C SER D 195 -25.111 -5.315 8.591 1.00122.92 C +ATOM 10071 O SER D 195 -23.878 -5.256 8.510 1.00118.27 O +ATOM 10072 CB SER D 195 -26.769 -5.616 10.426 1.00121.16 C +ATOM 10073 OG SER D 195 -27.969 -5.804 9.694 1.00117.86 O +ATOM 10074 H SER D 195 -27.488 -3.347 9.635 1.00 15.00 H +ATOM 10075 HG SER D 195 -28.478 -6.481 10.163 1.00 15.00 H +ATOM 10076 N SER D 196 -25.893 -5.936 7.707 1.00122.47 N +ATOM 10077 CA SER D 196 -25.372 -6.655 6.552 1.00121.71 C +ATOM 10078 C SER D 196 -24.082 -7.369 6.961 1.00124.28 C +ATOM 10079 O SER D 196 -24.119 -8.420 7.607 1.00125.06 O +ATOM 10080 CB SER D 196 -25.143 -5.676 5.386 1.00120.45 C +ATOM 10081 OG SER D 196 -24.303 -4.584 5.746 1.00111.99 O +ATOM 10082 H SER D 196 -26.860 -5.906 7.854 1.00 15.00 H +ATOM 10083 HG SER D 196 -24.610 -4.047 6.497 1.00 15.00 H +ATOM 10084 N THR D 198 -22.958 -6.733 6.658 1.00125.38 N +ATOM 10085 CA THR D 198 -21.631 -7.217 6.992 1.00125.47 C +ATOM 10086 C THR D 198 -20.781 -5.986 6.698 1.00120.54 C +ATOM 10087 O THR D 198 -20.346 -5.771 5.565 1.00120.59 O +ATOM 10088 CB THR D 198 -21.184 -8.417 6.097 1.00130.73 C +ATOM 10089 OG1 THR D 198 -22.189 -9.442 6.106 1.00134.81 O +ATOM 10090 CG2 THR D 198 -19.878 -9.017 6.620 1.00131.84 C +ATOM 10091 H THR D 198 -22.968 -5.867 6.202 1.00 15.00 H +ATOM 10092 HG1 THR D 198 -22.596 -9.500 6.980 1.00 15.00 H +ATOM 10093 N TRP D 199 -20.644 -5.123 7.699 1.00113.55 N +ATOM 10094 CA TRP D 199 -19.868 -3.898 7.550 1.00107.34 C +ATOM 10095 C TRP D 199 -18.546 -4.088 6.807 1.00104.39 C +ATOM 10096 O TRP D 199 -18.303 -3.412 5.812 1.00106.23 O +ATOM 10097 CB TRP D 199 -19.659 -3.214 8.914 1.00106.09 C +ATOM 10098 CG TRP D 199 -18.434 -2.321 9.013 1.00 99.74 C +ATOM 10099 CD1 TRP D 199 -17.971 -1.440 8.074 1.00 95.08 C +ATOM 10100 CD2 TRP D 199 -17.496 -2.274 10.096 1.00 93.97 C +ATOM 10101 NE1 TRP D 199 -16.802 -0.864 8.501 1.00 92.75 N +ATOM 10102 CE2 TRP D 199 -16.489 -1.356 9.740 1.00 90.42 C +ATOM 10103 CE3 TRP D 199 -17.409 -2.924 11.333 1.00 91.28 C +ATOM 10104 CZ2 TRP D 199 -15.407 -1.071 10.575 1.00 90.92 C +ATOM 10105 CZ3 TRP D 199 -16.330 -2.639 12.163 1.00 88.53 C +ATOM 10106 CH2 TRP D 199 -15.346 -1.721 11.778 1.00 86.49 C +ATOM 10107 H TRP D 199 -21.128 -5.301 8.532 1.00 15.00 H +ATOM 10108 HE1 TRP D 199 -16.265 -0.223 7.984 1.00 15.00 H +ATOM 10109 N PRO D 200 -17.689 -5.026 7.253 1.00102.15 N +ATOM 10110 CA PRO D 200 -16.402 -5.243 6.575 1.00103.45 C +ATOM 10111 C PRO D 200 -16.456 -5.810 5.144 1.00106.49 C +ATOM 10112 O PRO D 200 -15.460 -6.338 4.647 1.00104.70 O +ATOM 10113 CB PRO D 200 -15.675 -6.194 7.527 1.00102.84 C +ATOM 10114 CG PRO D 200 -16.285 -5.880 8.863 1.00 99.86 C +ATOM 10115 CD PRO D 200 -17.739 -5.794 8.508 1.00 98.16 C +ATOM 10116 N SER D 202 -17.610 -5.712 4.490 1.00111.57 N +ATOM 10117 CA SER D 202 -17.762 -6.201 3.124 1.00113.71 C +ATOM 10118 C SER D 202 -17.506 -5.095 2.098 1.00117.76 C +ATOM 10119 O SER D 202 -16.676 -5.259 1.201 1.00120.84 O +ATOM 10120 CB SER D 202 -19.154 -6.797 2.926 1.00112.32 C +ATOM 10121 OG SER D 202 -19.355 -7.881 3.811 1.00109.14 O +ATOM 10122 H SER D 202 -18.404 -5.312 4.892 1.00 15.00 H +ATOM 10123 HG SER D 202 -18.680 -8.544 3.641 1.00 15.00 H +ATOM 10124 N GLN D 203 -18.228 -3.981 2.216 1.00119.91 N +ATOM 10125 CA GLN D 203 -18.054 -2.857 1.294 1.00119.09 C +ATOM 10126 C GLN D 203 -17.215 -1.766 1.950 1.00110.38 C +ATOM 10127 O GLN D 203 -17.602 -1.195 2.969 1.00106.67 O +ATOM 10128 CB GLN D 203 -19.406 -2.284 0.841 1.00129.15 C +ATOM 10129 CG GLN D 203 -19.284 -1.124 -0.161 1.00140.80 C +ATOM 10130 CD GLN D 203 -20.624 -0.673 -0.735 1.00146.03 C +ATOM 10131 OE1 GLN D 203 -21.171 -1.309 -1.638 1.00147.83 O +ATOM 10132 NE2 GLN D 203 -21.143 0.441 -0.231 1.00147.14 N +ATOM 10133 H GLN D 203 -18.848 -3.877 2.969 1.00 15.00 H +ATOM 10134 HE21 GLN D 203 -22.017 0.702 -0.582 1.00 15.00 H +ATOM 10135 HE22 GLN D 203 -20.666 0.944 0.462 1.00 15.00 H +ATOM 10136 N SER D 204 -16.065 -1.481 1.353 1.00103.11 N +ATOM 10137 CA SER D 204 -15.159 -0.473 1.873 1.00 97.56 C +ATOM 10138 C SER D 204 -15.849 0.859 2.150 1.00 90.79 C +ATOM 10139 O SER D 204 -16.229 1.581 1.223 1.00 88.20 O +ATOM 10140 CB SER D 204 -13.985 -0.279 0.906 1.00100.61 C +ATOM 10141 OG SER D 204 -14.433 -0.183 -0.437 1.00108.52 O +ATOM 10142 H SER D 204 -15.807 -1.940 0.527 1.00 15.00 H +ATOM 10143 HG SER D 204 -14.981 0.609 -0.511 1.00 15.00 H +ATOM 10144 N ILE D 205 -16.074 1.137 3.430 1.00 81.56 N +ATOM 10145 CA ILE D 205 -16.691 2.388 3.846 1.00 71.49 C +ATOM 10146 C ILE D 205 -15.542 3.351 4.099 1.00 68.12 C +ATOM 10147 O ILE D 205 -14.688 3.092 4.945 1.00 70.44 O +ATOM 10148 CB ILE D 205 -17.526 2.211 5.128 1.00 64.67 C +ATOM 10149 CG1 ILE D 205 -18.697 1.269 4.851 1.00 63.35 C +ATOM 10150 CG2 ILE D 205 -18.037 3.555 5.614 1.00 60.69 C +ATOM 10151 CD1 ILE D 205 -19.678 1.149 5.985 1.00 62.92 C +ATOM 10152 H ILE D 205 -15.836 0.484 4.120 1.00 15.00 H +ATOM 10153 N THR D 206 -15.490 4.430 3.327 1.00 66.24 N +ATOM 10154 CA THR D 206 -14.416 5.402 3.461 1.00 63.27 C +ATOM 10155 C THR D 206 -14.914 6.794 3.819 1.00 60.30 C +ATOM 10156 O THR D 206 -15.942 7.250 3.311 1.00 60.36 O +ATOM 10157 CB THR D 206 -13.585 5.479 2.159 1.00 68.16 C +ATOM 10158 OG1 THR D 206 -14.463 5.674 1.043 1.00 76.81 O +ATOM 10159 CG2 THR D 206 -12.801 4.189 1.938 1.00 69.47 C +ATOM 10160 H THR D 206 -16.171 4.587 2.647 1.00 15.00 H +ATOM 10161 HG1 THR D 206 -13.883 5.797 0.278 1.00 15.00 H +ATOM 10162 N CYS D 208 -14.201 7.441 4.733 1.00 58.83 N +ATOM 10163 CA CYS D 208 -14.526 8.792 5.171 1.00 58.78 C +ATOM 10164 C CYS D 208 -13.806 9.693 4.171 1.00 57.09 C +ATOM 10165 O CYS D 208 -12.589 9.566 4.002 1.00 63.64 O +ATOM 10166 CB CYS D 208 -13.985 8.997 6.598 1.00 61.34 C +ATOM 10167 SG CYS D 208 -13.958 10.689 7.285 1.00 53.52 S +ATOM 10168 H CYS D 208 -13.415 7.007 5.127 1.00 15.00 H +ATOM 10169 N ASN D 209 -14.561 10.504 3.430 1.00 48.00 N +ATOM 10170 CA ASN D 209 -13.975 11.419 2.445 1.00 41.69 C +ATOM 10171 C ASN D 209 -14.125 12.853 2.921 1.00 39.93 C +ATOM 10172 O ASN D 209 -15.245 13.338 3.113 1.00 32.77 O +ATOM 10173 CB ASN D 209 -14.673 11.322 1.089 1.00 42.42 C +ATOM 10174 CG ASN D 209 -14.594 9.956 0.484 1.00 38.90 C +ATOM 10175 OD1 ASN D 209 -13.671 9.638 -0.272 1.00 26.70 O +ATOM 10176 ND2 ASN D 209 -15.586 9.138 0.780 1.00 42.33 N +ATOM 10177 H ASN D 209 -15.529 10.514 3.564 1.00 15.00 H +ATOM 10178 HD21 ASN D 209 -15.510 8.228 0.433 1.00 15.00 H +ATOM 10179 HD22 ASN D 209 -16.299 9.492 1.356 1.00 15.00 H +ATOM 10180 N VAL D 210 -13.003 13.536 3.097 1.00 33.35 N +ATOM 10181 CA VAL D 210 -13.033 14.919 3.537 1.00 31.32 C +ATOM 10182 C VAL D 210 -12.089 15.770 2.696 1.00 34.31 C +ATOM 10183 O VAL D 210 -10.985 15.337 2.338 1.00 33.53 O +ATOM 10184 CB VAL D 210 -12.688 15.046 5.031 1.00 18.21 C +ATOM 10185 CG1 VAL D 210 -12.481 16.500 5.410 1.00 21.25 C +ATOM 10186 CG2 VAL D 210 -13.822 14.499 5.855 1.00 31.03 C +ATOM 10187 H VAL D 210 -12.133 13.122 2.901 1.00 15.00 H +ATOM 10188 N ALA D 211 -12.551 16.960 2.335 1.00 29.32 N +ATOM 10189 CA ALA D 211 -11.742 17.868 1.543 1.00 32.36 C +ATOM 10190 C ALA D 211 -11.819 19.244 2.168 1.00 33.77 C +ATOM 10191 O ALA D 211 -12.848 19.615 2.749 1.00 34.15 O +ATOM 10192 CB ALA D 211 -12.223 17.905 0.099 1.00 34.31 C +ATOM 10193 H ALA D 211 -13.448 17.231 2.617 1.00 15.00 H +ATOM 10194 N HIS D 212 -10.711 19.972 2.101 1.00 33.46 N +ATOM 10195 CA HIS D 212 -10.631 21.319 2.654 1.00 35.27 C +ATOM 10196 C HIS D 212 -10.099 22.192 1.537 1.00 51.68 C +ATOM 10197 O HIS D 212 -9.003 21.958 1.017 1.00 63.47 O +ATOM 10198 CB HIS D 212 -9.677 21.361 3.852 1.00 21.12 C +ATOM 10199 CG HIS D 212 -9.849 22.564 4.724 1.00 11.67 C +ATOM 10200 ND1 HIS D 212 -8.790 23.339 5.144 1.00 9.61 N +ATOM 10201 CD2 HIS D 212 -10.960 23.121 5.265 1.00 13.52 C +ATOM 10202 CE1 HIS D 212 -9.241 24.325 5.903 1.00 13.19 C +ATOM 10203 NE2 HIS D 212 -10.554 24.214 5.994 1.00 3.12 N +ATOM 10204 H HIS D 212 -9.926 19.581 1.659 1.00 15.00 H +ATOM 10205 HD1 HIS D 212 -7.838 23.203 5.020 1.00 15.00 H +ATOM 10206 HE2 HIS D 212 -11.157 24.839 6.455 1.00 15.00 H +ATOM 10207 N PRO D 213 -10.877 23.208 1.144 1.00 60.11 N +ATOM 10208 CA PRO D 213 -10.545 24.156 0.079 1.00 62.84 C +ATOM 10209 C PRO D 213 -9.292 24.988 0.336 1.00 63.21 C +ATOM 10210 O PRO D 213 -8.288 24.830 -0.353 1.00 69.23 O +ATOM 10211 CB PRO D 213 -11.797 25.033 0.016 1.00 65.11 C +ATOM 10212 CG PRO D 213 -12.275 25.042 1.450 1.00 66.04 C +ATOM 10213 CD PRO D 213 -12.141 23.584 1.804 1.00 64.44 C +ATOM 10214 N ALA D 214 -9.344 25.821 1.373 1.00 61.36 N +ATOM 10215 CA ALA D 214 -8.251 26.718 1.739 1.00 59.68 C +ATOM 10216 C ALA D 214 -6.872 26.090 1.859 1.00 58.54 C +ATOM 10217 O ALA D 214 -5.866 26.802 1.869 1.00 63.23 O +ATOM 10218 CB ALA D 214 -8.592 27.447 3.019 1.00 61.17 C +ATOM 10219 H ALA D 214 -10.136 25.868 1.937 1.00 15.00 H +ATOM 10220 N SER D 215 -6.823 24.767 1.958 1.00 51.78 N +ATOM 10221 CA SER D 215 -5.554 24.065 2.078 1.00 45.03 C +ATOM 10222 C SER D 215 -5.369 22.956 1.046 1.00 41.87 C +ATOM 10223 O SER D 215 -4.375 22.229 1.089 1.00 37.97 O +ATOM 10224 CB SER D 215 -5.421 23.503 3.486 1.00 44.86 C +ATOM 10225 OG SER D 215 -6.603 22.825 3.870 1.00 47.40 O +ATOM 10226 H SER D 215 -7.625 24.222 1.929 1.00 15.00 H +ATOM 10227 HG SER D 215 -6.515 21.941 3.481 1.00 15.00 H +ATOM 10228 N SER D 216 -6.340 22.811 0.147 1.00 46.13 N +ATOM 10229 CA SER D 216 -6.295 21.795 -0.903 1.00 51.15 C +ATOM 10230 C SER D 216 -5.944 20.430 -0.318 1.00 45.83 C +ATOM 10231 O SER D 216 -4.939 19.819 -0.680 1.00 32.73 O +ATOM 10232 CB SER D 216 -5.256 22.187 -1.958 1.00 61.74 C +ATOM 10233 OG SER D 216 -5.414 23.541 -2.355 1.00 71.73 O +ATOM 10234 H SER D 216 -7.089 23.431 0.126 1.00 15.00 H +ATOM 10235 HG SER D 216 -4.688 23.773 -2.934 1.00 15.00 H +ATOM 10236 N THR D 217 -6.781 19.960 0.595 1.00 52.60 N +ATOM 10237 CA THR D 217 -6.537 18.684 1.239 1.00 62.30 C +ATOM 10238 C THR D 217 -7.701 17.730 1.038 1.00 65.87 C +ATOM 10239 O THR D 217 -8.815 17.993 1.487 1.00 64.61 O +ATOM 10240 CB THR D 217 -6.296 18.863 2.755 1.00 64.29 C +ATOM 10241 OG1 THR D 217 -6.052 20.247 3.044 1.00 57.33 O +ATOM 10242 CG2 THR D 217 -5.083 18.043 3.200 1.00 66.81 C +ATOM 10243 H THR D 217 -7.571 20.487 0.836 1.00 15.00 H +ATOM 10244 HG1 THR D 217 -5.269 20.471 2.506 1.00 15.00 H +ATOM 10245 N LYS D 218 -7.445 16.647 0.319 1.00 67.53 N +ATOM 10246 CA LYS D 218 -8.458 15.639 0.072 1.00 72.12 C +ATOM 10247 C LYS D 218 -7.911 14.378 0.720 1.00 72.83 C +ATOM 10248 O LYS D 218 -6.855 13.872 0.325 1.00 75.93 O +ATOM 10249 CB LYS D 218 -8.664 15.450 -1.434 1.00 82.97 C +ATOM 10250 CG LYS D 218 -9.816 14.521 -1.821 1.00 97.72 C +ATOM 10251 CD LYS D 218 -9.327 13.125 -2.227 1.00106.78 C +ATOM 10252 CE LYS D 218 -8.558 13.137 -3.550 1.00105.20 C +ATOM 10253 NZ LYS D 218 -8.045 11.783 -3.914 1.00102.87 N +ATOM 10254 H LYS D 218 -6.551 16.492 -0.047 1.00 15.00 H +ATOM 10255 HZ1 LYS D 218 -8.836 11.113 -3.988 1.00 15.00 H +ATOM 10256 HZ2 LYS D 218 -7.542 11.835 -4.822 1.00 15.00 H +ATOM 10257 HZ3 LYS D 218 -7.386 11.466 -3.175 1.00 15.00 H +ATOM 10258 N VAL D 219 -8.587 13.919 1.765 1.00 69.06 N +ATOM 10259 CA VAL D 219 -8.155 12.729 2.485 1.00 69.71 C +ATOM 10260 C VAL D 219 -9.289 11.714 2.536 1.00 68.22 C +ATOM 10261 O VAL D 219 -10.454 12.088 2.692 1.00 67.87 O +ATOM 10262 CB VAL D 219 -7.740 13.070 3.935 1.00 67.59 C +ATOM 10263 CG1 VAL D 219 -7.090 11.869 4.587 1.00 69.99 C +ATOM 10264 CG2 VAL D 219 -6.795 14.259 3.961 1.00 70.23 C +ATOM 10265 H VAL D 219 -9.410 14.366 2.052 1.00 15.00 H +ATOM 10266 N ASP D 220 -8.950 10.438 2.381 1.00 68.72 N +ATOM 10267 CA ASP D 220 -9.945 9.370 2.428 1.00 70.25 C +ATOM 10268 C ASP D 220 -9.490 8.327 3.438 1.00 69.88 C +ATOM 10269 O ASP D 220 -8.640 7.483 3.134 1.00 72.55 O +ATOM 10270 CB ASP D 220 -10.117 8.708 1.054 1.00 76.10 C +ATOM 10271 CG ASP D 220 -10.542 9.686 -0.032 1.00 80.96 C +ATOM 10272 OD1 ASP D 220 -11.356 10.596 0.246 1.00 75.78 O +ATOM 10273 OD2 ASP D 220 -10.058 9.529 -1.175 1.00 85.85 O +ATOM 10274 H ASP D 220 -8.015 10.189 2.241 1.00 15.00 H +ATOM 10275 N LYS D 221 -10.019 8.408 4.652 1.00 65.18 N +ATOM 10276 CA LYS D 221 -9.647 7.455 5.692 1.00 65.78 C +ATOM 10277 C LYS D 221 -10.571 6.252 5.637 1.00 65.48 C +ATOM 10278 O LYS D 221 -11.772 6.381 5.906 1.00 68.30 O +ATOM 10279 CB LYS D 221 -9.720 8.096 7.087 1.00 58.97 C +ATOM 10280 CG LYS D 221 -8.540 8.995 7.451 1.00 63.73 C +ATOM 10281 CD LYS D 221 -7.192 8.246 7.506 1.00 63.72 C +ATOM 10282 CE LYS D 221 -6.031 9.207 7.851 1.00 66.19 C +ATOM 10283 NZ LYS D 221 -4.675 8.567 7.919 1.00 61.26 N +ATOM 10284 H LYS D 221 -10.696 9.100 4.822 1.00 15.00 H +ATOM 10285 HZ1 LYS D 221 -4.688 7.821 8.644 1.00 15.00 H +ATOM 10286 HZ2 LYS D 221 -4.442 8.148 6.996 1.00 15.00 H +ATOM 10287 HZ3 LYS D 221 -3.968 9.285 8.170 1.00 15.00 H +ATOM 10288 N LYS D 222 -10.043 5.097 5.236 1.00 57.95 N +ATOM 10289 CA LYS D 222 -10.887 3.914 5.200 1.00 57.48 C +ATOM 10290 C LYS D 222 -11.108 3.519 6.643 1.00 57.82 C +ATOM 10291 O LYS D 222 -10.172 3.545 7.448 1.00 66.45 O +ATOM 10292 CB LYS D 222 -10.247 2.744 4.462 1.00 59.59 C +ATOM 10293 CG LYS D 222 -11.243 1.601 4.275 1.00 63.17 C +ATOM 10294 CD LYS D 222 -10.570 0.270 3.994 1.00 69.57 C +ATOM 10295 CE LYS D 222 -11.598 -0.834 3.744 1.00 74.89 C +ATOM 10296 NZ LYS D 222 -12.644 -0.932 4.810 1.00 81.94 N +ATOM 10297 H LYS D 222 -9.099 5.050 4.987 1.00 15.00 H +ATOM 10298 HZ1 LYS D 222 -12.188 -1.086 5.732 1.00 15.00 H +ATOM 10299 HZ2 LYS D 222 -13.190 -0.047 4.840 1.00 15.00 H +ATOM 10300 HZ3 LYS D 222 -13.286 -1.722 4.599 1.00 15.00 H +ATOM 10301 N ILE D 223 -12.349 3.205 6.980 1.00 54.82 N +ATOM 10302 CA ILE D 223 -12.680 2.813 8.340 1.00 53.45 C +ATOM 10303 C ILE D 223 -12.446 1.317 8.496 1.00 58.03 C +ATOM 10304 O ILE D 223 -13.208 0.504 7.969 1.00 57.50 O +ATOM 10305 CB ILE D 223 -14.135 3.239 8.706 1.00 44.49 C +ATOM 10306 CG1 ILE D 223 -14.159 4.734 9.039 1.00 43.81 C +ATOM 10307 CG2 ILE D 223 -14.678 2.427 9.856 1.00 44.15 C +ATOM 10308 CD1 ILE D 223 -15.468 5.230 9.638 1.00 44.12 C +ATOM 10309 H ILE D 223 -13.066 3.215 6.303 1.00 15.00 H +ATOM 10310 N GLU D 226 -11.351 0.973 9.184 1.00 66.07 N +ATOM 10311 CA GLU D 226 -10.961 -0.420 9.422 1.00 75.69 C +ATOM 10312 C GLU D 226 -11.317 -0.866 10.858 1.00 79.51 C +ATOM 10313 O GLU D 226 -11.186 -0.085 11.805 1.00 79.65 O +ATOM 10314 CB GLU D 226 -9.464 -0.607 9.099 1.00 77.30 C +ATOM 10315 CG GLU D 226 -9.089 -0.113 7.679 1.00 80.76 C +ATOM 10316 CD GLU D 226 -7.734 -0.599 7.167 1.00 78.21 C +ATOM 10317 OE1 GLU D 226 -7.619 -1.796 6.820 1.00 78.62 O +ATOM 10318 OE2 GLU D 226 -6.796 0.225 7.066 1.00 76.85 O +ATOM 10319 H GLU D 226 -10.782 1.684 9.546 1.00 15.00 H +ATOM 10320 N PRO D 227 -11.775 -2.128 11.030 1.00 82.01 N +ATOM 10321 CA PRO D 227 -12.177 -2.733 12.308 1.00 82.82 C +ATOM 10322 C PRO D 227 -11.151 -2.755 13.429 1.00 87.35 C +ATOM 10323 O PRO D 227 -9.995 -3.147 13.235 1.00 89.50 O +ATOM 10324 CB PRO D 227 -12.572 -4.150 11.901 1.00 79.71 C +ATOM 10325 CG PRO D 227 -11.655 -4.430 10.770 1.00 81.80 C +ATOM 10326 CD PRO D 227 -11.777 -3.154 9.971 1.00 83.15 C +ATOM 10327 N ARG D 228 -11.605 -2.363 14.616 1.00 91.37 N +ATOM 10328 CA ARG D 228 -10.758 -2.340 15.798 1.00100.39 C +ATOM 10329 C ARG D 228 -10.630 -3.783 16.279 1.00109.64 C +ATOM 10330 O ARG D 228 -11.490 -4.279 17.011 1.00116.88 O +ATOM 10331 CB ARG D 228 -11.392 -1.456 16.881 1.00 93.63 C +ATOM 10332 CG ARG D 228 -10.495 -1.212 18.085 1.00 89.01 C +ATOM 10333 CD ARG D 228 -11.110 -0.221 19.067 1.00 86.39 C +ATOM 10334 NE ARG D 228 -11.053 1.165 18.604 1.00 85.45 N +ATOM 10335 CZ ARG D 228 -12.088 2.001 18.635 1.00 87.33 C +ATOM 10336 NH1 ARG D 228 -13.253 1.582 19.101 1.00 93.46 N +ATOM 10337 NH2 ARG D 228 -11.960 3.257 18.219 1.00 79.18 N +ATOM 10338 H ARG D 228 -12.538 -2.087 14.707 1.00 15.00 H +ATOM 10339 HE ARG D 228 -10.204 1.497 18.249 1.00 15.00 H +ATOM 10340 HH11 ARG D 228 -13.357 0.643 19.427 1.00 15.00 H +ATOM 10341 HH12 ARG D 228 -14.037 2.200 19.118 1.00 15.00 H +ATOM 10342 HH21 ARG D 228 -11.076 3.584 17.885 1.00 15.00 H +ATOM 10343 HH22 ARG D 228 -12.746 3.875 18.249 1.00 15.00 H +ATOM 10344 N GLY D 229 -9.581 -4.462 15.819 1.00115.90 N +ATOM 10345 CA GLY D 229 -9.358 -5.854 16.184 1.00121.13 C +ATOM 10346 C GLY D 229 -8.842 -6.112 17.591 1.00123.86 C +ATOM 10347 O GLY D 229 -8.363 -5.193 18.261 1.00123.79 O +ATOM 10348 H GLY D 229 -8.954 -4.010 15.220 1.00 15.00 H +ATOM 10349 N PRO D 230 -8.956 -7.361 18.081 1.00126.05 N +ATOM 10350 CA PRO D 230 -8.498 -7.752 19.421 1.00125.58 C +ATOM 10351 C PRO D 230 -6.983 -7.569 19.601 1.00125.01 C +ATOM 10352 O PRO D 230 -6.184 -8.075 18.810 1.00122.27 O +ATOM 10353 CB PRO D 230 -8.908 -9.225 19.500 1.00126.77 C +ATOM 10354 CG PRO D 230 -10.147 -9.276 18.635 1.00127.00 C +ATOM 10355 CD PRO D 230 -9.705 -8.461 17.443 1.00125.88 C +ATOM 10356 N THR D 231 -6.609 -6.847 20.654 1.00127.55 N +ATOM 10357 CA THR D 231 -5.207 -6.550 20.970 1.00130.85 C +ATOM 10358 C THR D 231 -4.394 -7.775 21.434 1.00132.32 C +ATOM 10359 O THR D 231 -4.935 -8.685 22.065 1.00134.13 O +ATOM 10360 CB THR D 231 -5.122 -5.441 22.066 1.00129.06 C +ATOM 10361 OG1 THR D 231 -6.157 -4.470 21.851 1.00129.23 O +ATOM 10362 CG2 THR D 231 -3.774 -4.729 22.013 1.00126.31 C +ATOM 10363 H THR D 231 -7.299 -6.493 21.240 1.00 15.00 H +ATOM 10364 HG1 THR D 231 -7.020 -4.875 21.973 1.00 15.00 H +ATOM 10365 N ILE D 232 -3.096 -7.772 21.112 1.00130.91 N +ATOM 10366 CA ILE D 232 -2.148 -8.834 21.484 1.00127.10 C +ATOM 10367 C ILE D 232 -2.400 -10.234 20.901 1.00126.25 C +ATOM 10368 O ILE D 232 -3.074 -11.066 21.508 1.00125.25 O +ATOM 10369 CB ILE D 232 -1.972 -8.918 23.034 1.00126.20 C +ATOM 10370 CG1 ILE D 232 -1.418 -7.590 23.569 1.00125.93 C +ATOM 10371 CG2 ILE D 232 -1.035 -10.065 23.413 1.00126.70 C +ATOM 10372 CD1 ILE D 232 -1.279 -7.527 25.082 1.00119.83 C +ATOM 10373 H ILE D 232 -2.767 -7.017 20.591 1.00 15.00 H +ATOM 10374 N LYS D 235 -1.811 -10.489 19.733 1.00126.85 N +ATOM 10375 CA LYS D 235 -1.922 -11.776 19.036 1.00127.49 C +ATOM 10376 C LYS D 235 -0.657 -12.100 18.214 1.00129.97 C +ATOM 10377 O LYS D 235 -0.101 -13.191 18.353 1.00128.54 O +ATOM 10378 CB LYS D 235 -3.176 -11.834 18.143 1.00126.99 C +ATOM 10379 CG LYS D 235 -4.499 -12.009 18.882 1.00126.11 C +ATOM 10380 CD LYS D 235 -5.679 -11.959 17.917 1.00124.99 C +ATOM 10381 CE LYS D 235 -6.989 -12.319 18.608 1.00122.34 C +ATOM 10382 NZ LYS D 235 -8.144 -12.283 17.664 1.00122.09 N +ATOM 10383 H LYS D 235 -1.264 -9.790 19.335 1.00 15.00 H +ATOM 10384 HZ1 LYS D 235 -7.982 -12.944 16.876 1.00 15.00 H +ATOM 10385 HZ2 LYS D 235 -9.015 -12.546 18.167 1.00 15.00 H +ATOM 10386 HZ3 LYS D 235 -8.240 -11.318 17.288 1.00 15.00 H +ATOM 10387 N PRO D 236 -0.218 -11.184 17.312 1.00134.06 N +ATOM 10388 CA PRO D 236 0.987 -11.429 16.502 1.00135.55 C +ATOM 10389 C PRO D 236 2.248 -10.774 17.114 1.00137.62 C +ATOM 10390 O PRO D 236 2.452 -10.826 18.330 1.00139.99 O +ATOM 10391 CB PRO D 236 0.611 -10.794 15.166 1.00133.60 C +ATOM 10392 CG PRO D 236 -0.081 -9.545 15.611 1.00131.07 C +ATOM 10393 CD PRO D 236 -0.949 -10.009 16.787 1.00133.26 C +ATOM 10394 N CYS D 237 3.080 -10.154 16.274 1.00137.15 N +ATOM 10395 CA CYS D 237 4.309 -9.491 16.731 1.00137.19 C +ATOM 10396 C CYS D 237 4.527 -8.217 15.904 1.00137.51 C +ATOM 10397 O CYS D 237 4.177 -8.175 14.719 1.00134.66 O +ATOM 10398 CB CYS D 237 5.517 -10.437 16.567 1.00137.80 C +ATOM 10399 SG CYS D 237 7.042 -10.048 17.515 1.00136.70 S +ATOM 10400 H CYS D 237 2.904 -10.107 15.311 1.00 15.00 H +ATOM 10401 N PRO D 238 5.026 -7.138 16.545 1.00139.62 N +ATOM 10402 CA PRO D 238 5.305 -5.839 15.904 1.00140.46 C +ATOM 10403 C PRO D 238 6.414 -5.973 14.836 1.00141.95 C +ATOM 10404 O PRO D 238 6.853 -7.090 14.529 1.00142.46 O +ATOM 10405 CB PRO D 238 5.768 -4.979 17.090 1.00138.51 C +ATOM 10406 CG PRO D 238 5.013 -5.559 18.249 1.00138.34 C +ATOM 10407 CD PRO D 238 5.188 -7.038 18.009 1.00138.98 C +ATOM 10408 N PRO D 239 6.856 -4.849 14.225 1.00141.82 N +ATOM 10409 CA PRO D 239 7.915 -5.019 13.220 1.00140.17 C +ATOM 10410 C PRO D 239 9.174 -5.593 13.883 1.00140.02 C +ATOM 10411 O PRO D 239 9.670 -5.032 14.864 1.00140.53 O +ATOM 10412 CB PRO D 239 8.137 -3.588 12.709 1.00137.11 C +ATOM 10413 CG PRO D 239 7.731 -2.725 13.881 1.00134.39 C +ATOM 10414 CD PRO D 239 6.484 -3.427 14.363 1.00138.39 C +ATOM 10415 N CYS D 240 9.642 -6.740 13.389 1.00137.79 N +ATOM 10416 CA CYS D 240 10.834 -7.396 13.936 1.00135.93 C +ATOM 10417 C CYS D 240 12.061 -6.496 13.796 1.00134.69 C +ATOM 10418 O CYS D 240 12.900 -6.699 12.916 1.00132.96 O +ATOM 10419 CB CYS D 240 11.076 -8.737 13.232 1.00137.60 C +ATOM 10420 SG CYS D 240 12.576 -9.635 13.763 1.00143.61 S +ATOM 10421 H CYS D 240 9.157 -7.174 12.659 1.00 15.00 H +ATOM 10422 N LYS D 241 12.126 -5.483 14.660 1.00134.78 N +ATOM 10423 CA LYS D 241 13.206 -4.500 14.686 1.00135.41 C +ATOM 10424 C LYS D 241 13.732 -4.068 13.307 1.00137.49 C +ATOM 10425 O LYS D 241 14.944 -3.915 13.118 1.00140.11 O +ATOM 10426 CB LYS D 241 14.357 -4.983 15.582 1.00132.81 C +ATOM 10427 CG LYS D 241 14.063 -4.959 17.087 1.00126.71 C +ATOM 10428 CD LYS D 241 13.912 -3.538 17.622 1.00121.68 C +ATOM 10429 CE LYS D 241 13.921 -3.510 19.148 1.00120.78 C +ATOM 10430 NZ LYS D 241 12.796 -4.276 19.759 1.00122.17 N +ATOM 10431 H LYS D 241 11.422 -5.399 15.332 1.00 15.00 H +ATOM 10432 HZ1 LYS D 241 12.850 -5.270 19.462 1.00 15.00 H +ATOM 10433 HZ2 LYS D 241 12.856 -4.210 20.794 1.00 15.00 H +ATOM 10434 HZ3 LYS D 241 11.893 -3.867 19.441 1.00 15.00 H +ATOM 10435 N CYS D 242 12.828 -3.877 12.345 1.00138.51 N +ATOM 10436 CA CYS D 242 13.244 -3.444 11.014 1.00139.18 C +ATOM 10437 C CYS D 242 13.602 -1.958 11.116 1.00138.09 C +ATOM 10438 O CYS D 242 12.827 -1.156 11.658 1.00135.72 O +ATOM 10439 CB CYS D 242 12.152 -3.678 9.958 1.00142.36 C +ATOM 10440 SG CYS D 242 12.785 -3.519 8.245 1.00149.27 S +ATOM 10441 H CYS D 242 11.887 -4.008 12.534 1.00 15.00 H +ATOM 10442 N PRO D 243 14.818 -1.595 10.669 1.00136.93 N +ATOM 10443 CA PRO D 243 15.357 -0.228 10.683 1.00137.35 C +ATOM 10444 C PRO D 243 14.722 0.743 9.669 1.00138.25 C +ATOM 10445 O PRO D 243 13.561 0.587 9.268 1.00136.69 O +ATOM 10446 CB PRO D 243 16.839 -0.462 10.380 1.00135.23 C +ATOM 10447 CG PRO D 243 16.802 -1.641 9.441 1.00130.03 C +ATOM 10448 CD PRO D 243 15.815 -2.548 10.137 1.00132.63 C +ATOM 10449 N ALA D 244 15.482 1.779 9.311 1.00136.78 N +ATOM 10450 CA ALA D 244 15.049 2.773 8.334 1.00133.74 C +ATOM 10451 C ALA D 244 15.035 2.071 6.963 1.00132.91 C +ATOM 10452 O ALA D 244 15.733 1.068 6.767 1.00133.16 O +ATOM 10453 CB ALA D 244 16.019 3.966 8.330 1.00128.37 C +ATOM 10454 H ALA D 244 16.367 1.877 9.705 1.00 15.00 H +ATOM 10455 N PRO D 245 14.238 2.583 6.005 1.00132.02 N +ATOM 10456 CA PRO D 245 14.128 2.005 4.654 1.00128.16 C +ATOM 10457 C PRO D 245 15.442 1.598 3.967 1.00122.89 C +ATOM 10458 O PRO D 245 16.300 2.439 3.686 1.00123.56 O +ATOM 10459 CB PRO D 245 13.369 3.091 3.871 1.00131.55 C +ATOM 10460 CG PRO D 245 13.537 4.355 4.711 1.00133.11 C +ATOM 10461 CD PRO D 245 13.438 3.817 6.107 1.00132.09 C +ATOM 10462 N ASN D 246 15.564 0.306 3.662 1.00115.61 N +ATOM 10463 CA ASN D 246 16.758 -0.244 3.012 1.00107.13 C +ATOM 10464 C ASN D 246 16.555 -0.602 1.532 1.00107.57 C +ATOM 10465 O ASN D 246 17.286 -1.431 0.982 1.00107.18 O +ATOM 10466 CB ASN D 246 17.256 -1.482 3.775 1.00 92.76 C +ATOM 10467 CG ASN D 246 16.299 -2.656 3.670 0.00 72.45 C +ATOM 10468 OD1 ASN D 246 15.086 -2.497 3.807 0.00 61.69 O +ATOM 10469 ND2 ASN D 246 16.839 -3.839 3.412 0.00 61.80 N +ATOM 10470 H ASN D 246 14.834 -0.314 3.888 1.00 15.00 H +ATOM 10471 HD21 ASN D 246 16.223 -4.596 3.343 1.00 15.00 H +ATOM 10472 HD22 ASN D 246 17.807 -3.907 3.295 1.00 15.00 H +ATOM 10473 N LEU D 247 15.561 0.020 0.898 1.00108.39 N +ATOM 10474 CA LEU D 247 15.247 -0.219 -0.516 1.00107.46 C +ATOM 10475 C LEU D 247 14.178 0.751 -1.042 1.00112.45 C +ATOM 10476 O LEU D 247 13.546 1.471 -0.259 1.00117.02 O +ATOM 10477 CB LEU D 247 14.806 -1.680 -0.744 1.00 93.81 C +ATOM 10478 CG LEU D 247 13.677 -2.310 0.084 0.00 71.63 C +ATOM 10479 CD1 LEU D 247 12.319 -1.739 -0.298 0.00 60.36 C +ATOM 10480 CD2 LEU D 247 13.684 -3.812 -0.140 0.00 60.28 C +ATOM 10481 H LEU D 247 15.010 0.670 1.381 1.00 15.00 H +ATOM 10482 N LEU D 248 13.987 0.763 -2.363 1.00113.53 N +ATOM 10483 CA LEU D 248 13.001 1.629 -3.023 1.00109.65 C +ATOM 10484 C LEU D 248 12.954 1.314 -4.526 1.00115.21 C +ATOM 10485 O LEU D 248 13.601 0.372 -5.000 1.00114.22 O +ATOM 10486 CB LEU D 248 13.358 3.114 -2.816 1.00 90.45 C +ATOM 10487 CG LEU D 248 12.257 4.161 -3.023 0.00 71.32 C +ATOM 10488 CD1 LEU D 248 11.183 3.998 -1.957 0.00 60.28 C +ATOM 10489 CD2 LEU D 248 12.844 5.562 -2.976 0.00 60.17 C +ATOM 10490 H LEU D 248 14.515 0.167 -2.941 1.00 15.00 H +ATOM 10491 N GLY D 249 12.150 2.081 -5.259 1.00121.72 N +ATOM 10492 CA GLY D 249 12.042 1.905 -6.693 1.00129.44 C +ATOM 10493 C GLY D 249 12.680 3.111 -7.362 1.00134.87 C +ATOM 10494 O GLY D 249 12.142 4.219 -7.287 1.00135.33 O +ATOM 10495 H GLY D 249 11.612 2.793 -4.862 1.00 15.00 H +ATOM 10496 N GLY D 250 13.841 2.905 -7.977 1.00137.54 N +ATOM 10497 CA GLY D 250 14.550 3.982 -8.652 1.00140.47 C +ATOM 10498 C GLY D 250 15.704 3.401 -9.449 1.00143.14 C +ATOM 10499 O GLY D 250 15.476 2.485 -10.258 1.00144.38 O +ATOM 10500 H GLY D 250 14.236 1.996 -7.997 1.00 15.00 H +ATOM 10501 N PRO D 251 16.947 3.892 -9.262 1.00144.96 N +ATOM 10502 CA PRO D 251 18.063 3.329 -10.022 1.00145.17 C +ATOM 10503 C PRO D 251 18.198 1.835 -9.718 1.00144.96 C +ATOM 10504 O PRO D 251 17.846 1.382 -8.626 1.00147.39 O +ATOM 10505 CB PRO D 251 19.268 4.135 -9.516 1.00145.19 C +ATOM 10506 CG PRO D 251 18.868 4.536 -8.125 1.00145.36 C +ATOM 10507 CD PRO D 251 17.423 4.924 -8.318 1.00144.16 C +ATOM 10508 N SER D 252 18.651 1.071 -10.700 1.00142.12 N +ATOM 10509 CA SER D 252 18.818 -0.363 -10.538 1.00137.42 C +ATOM 10510 C SER D 252 20.286 -0.681 -10.774 1.00131.89 C +ATOM 10511 O SER D 252 20.965 0.025 -11.517 1.00129.00 O +ATOM 10512 CB SER D 252 17.936 -1.122 -11.539 1.00139.89 C +ATOM 10513 OG SER D 252 16.556 -0.857 -11.333 1.00140.98 O +ATOM 10514 H SER D 252 18.911 1.501 -11.531 1.00 15.00 H +ATOM 10515 HG SER D 252 16.402 0.092 -11.204 1.00 15.00 H +ATOM 10516 N VAL D 253 20.772 -1.725 -10.117 1.00126.90 N +ATOM 10517 CA VAL D 253 22.164 -2.149 -10.232 1.00119.83 C +ATOM 10518 C VAL D 253 22.239 -3.598 -10.712 1.00114.15 C +ATOM 10519 O VAL D 253 21.434 -4.437 -10.301 1.00112.01 O +ATOM 10520 CB VAL D 253 22.901 -2.019 -8.869 1.00119.14 C +ATOM 10521 CG1 VAL D 253 22.249 -2.917 -7.816 1.00118.60 C +ATOM 10522 CG2 VAL D 253 24.373 -2.352 -9.027 1.00118.73 C +ATOM 10523 H VAL D 253 20.183 -2.282 -9.569 1.00 15.00 H +ATOM 10524 N PHE D 254 23.192 -3.874 -11.595 1.00106.93 N +ATOM 10525 CA PHE D 254 23.397 -5.209 -12.153 1.00 98.98 C +ATOM 10526 C PHE D 254 24.905 -5.446 -12.178 1.00 88.82 C +ATOM 10527 O PHE D 254 25.675 -4.507 -12.385 1.00 93.05 O +ATOM 10528 CB PHE D 254 22.859 -5.281 -13.591 1.00107.64 C +ATOM 10529 CG PHE D 254 21.370 -5.037 -13.720 1.00117.09 C +ATOM 10530 CD1 PHE D 254 20.858 -3.741 -13.756 1.00118.76 C +ATOM 10531 CD2 PHE D 254 20.483 -6.106 -13.845 1.00120.18 C +ATOM 10532 CE1 PHE D 254 19.489 -3.516 -13.917 1.00122.14 C +ATOM 10533 CE2 PHE D 254 19.111 -5.888 -14.007 1.00120.21 C +ATOM 10534 CZ PHE D 254 18.615 -4.592 -14.043 1.00119.66 C +ATOM 10535 H PHE D 254 23.802 -3.159 -11.887 1.00 15.00 H +ATOM 10536 N ILE D 255 25.334 -6.687 -11.993 1.00 73.18 N +ATOM 10537 CA ILE D 255 26.759 -6.989 -11.992 1.00 56.57 C +ATOM 10538 C ILE D 255 27.030 -8.044 -13.056 1.00 57.57 C +ATOM 10539 O ILE D 255 26.181 -8.901 -13.315 1.00 55.54 O +ATOM 10540 CB ILE D 255 27.223 -7.467 -10.590 1.00 44.04 C +ATOM 10541 CG1 ILE D 255 28.734 -7.325 -10.448 1.00 37.62 C +ATOM 10542 CG2 ILE D 255 26.794 -8.892 -10.333 1.00 36.93 C +ATOM 10543 CD1 ILE D 255 29.171 -5.924 -10.174 1.00 41.41 C +ATOM 10544 H ILE D 255 24.706 -7.428 -11.894 1.00 15.00 H +ATOM 10545 N PHE D 256 28.199 -7.972 -13.682 1.00 61.25 N +ATOM 10546 CA PHE D 256 28.558 -8.908 -14.741 1.00 65.20 C +ATOM 10547 C PHE D 256 29.939 -9.522 -14.612 1.00 57.35 C +ATOM 10548 O PHE D 256 30.931 -8.840 -14.346 1.00 61.31 O +ATOM 10549 CB PHE D 256 28.457 -8.234 -16.113 1.00 77.18 C +ATOM 10550 CG PHE D 256 27.062 -7.865 -16.507 1.00 91.30 C +ATOM 10551 CD1 PHE D 256 26.016 -8.768 -16.335 1.00 95.76 C +ATOM 10552 CD2 PHE D 256 26.788 -6.613 -17.045 1.00 98.16 C +ATOM 10553 CE1 PHE D 256 24.715 -8.428 -16.692 1.00100.59 C +ATOM 10554 CE2 PHE D 256 25.489 -6.262 -17.407 1.00101.40 C +ATOM 10555 CZ PHE D 256 24.449 -7.172 -17.230 1.00101.89 C +ATOM 10556 H PHE D 256 28.857 -7.297 -13.420 1.00 15.00 H +ATOM 10557 N PRO D 257 30.022 -10.821 -14.869 1.00 45.39 N +ATOM 10558 CA PRO D 257 31.263 -11.579 -14.799 1.00 42.65 C +ATOM 10559 C PRO D 257 32.101 -11.353 -16.050 1.00 35.32 C +ATOM 10560 O PRO D 257 31.575 -11.076 -17.124 1.00 36.07 O +ATOM 10561 CB PRO D 257 30.770 -13.032 -14.773 1.00 47.26 C +ATOM 10562 CG PRO D 257 29.296 -12.927 -14.418 1.00 43.68 C +ATOM 10563 CD PRO D 257 28.888 -11.710 -15.152 1.00 41.90 C +ATOM 10564 N PRO D 258 33.422 -11.417 -15.912 1.00 30.00 N +ATOM 10565 CA PRO D 258 34.263 -11.227 -17.088 1.00 28.96 C +ATOM 10566 C PRO D 258 34.087 -12.461 -17.962 1.00 31.22 C +ATOM 10567 O PRO D 258 33.656 -13.524 -17.503 1.00 31.55 O +ATOM 10568 CB PRO D 258 35.664 -11.165 -16.493 1.00 29.29 C +ATOM 10569 CG PRO D 258 35.549 -11.993 -15.261 1.00 29.14 C +ATOM 10570 CD PRO D 258 34.238 -11.540 -14.696 1.00 29.56 C +ATOM 10571 N LYS D 259 34.426 -12.337 -19.227 1.00 31.88 N +ATOM 10572 CA LYS D 259 34.255 -13.466 -20.102 1.00 41.66 C +ATOM 10573 C LYS D 259 35.341 -14.504 -19.914 1.00 37.91 C +ATOM 10574 O LYS D 259 36.521 -14.179 -19.773 1.00 39.97 O +ATOM 10575 CB LYS D 259 34.145 -12.993 -21.554 1.00 60.87 C +ATOM 10576 CG LYS D 259 32.701 -12.663 -21.974 1.00 78.24 C +ATOM 10577 CD LYS D 259 31.971 -11.803 -20.930 1.00 85.13 C +ATOM 10578 CE LYS D 259 30.451 -11.926 -21.040 1.00 86.71 C +ATOM 10579 NZ LYS D 259 29.740 -11.284 -19.892 1.00 78.72 N +ATOM 10580 H LYS D 259 34.792 -11.493 -19.558 1.00 15.00 H +ATOM 10581 HZ1 LYS D 259 29.979 -10.272 -19.852 1.00 15.00 H +ATOM 10582 HZ2 LYS D 259 28.712 -11.393 -20.012 1.00 15.00 H +ATOM 10583 HZ3 LYS D 259 30.037 -11.740 -19.005 1.00 15.00 H +ATOM 10584 N ILE D 260 34.916 -15.756 -19.866 1.00 26.37 N +ATOM 10585 CA ILE D 260 35.814 -16.882 -19.703 1.00 26.18 C +ATOM 10586 C ILE D 260 37.177 -16.712 -20.348 1.00 33.18 C +ATOM 10587 O ILE D 260 38.192 -17.065 -19.755 1.00 44.60 O +ATOM 10588 CB ILE D 260 35.219 -18.179 -20.240 1.00 22.73 C +ATOM 10589 CG1 ILE D 260 34.011 -17.912 -21.156 1.00 41.14 C +ATOM 10590 CG2 ILE D 260 34.934 -19.104 -19.089 1.00 33.36 C +ATOM 10591 CD1 ILE D 260 32.687 -17.555 -20.453 1.00 39.58 C +ATOM 10592 H ILE D 260 33.951 -15.829 -19.853 1.00 15.00 H +ATOM 10593 N LYS D 261 37.216 -16.158 -21.550 1.00 31.38 N +ATOM 10594 CA LYS D 261 38.491 -15.983 -22.220 1.00 27.70 C +ATOM 10595 C LYS D 261 39.386 -14.939 -21.533 1.00 35.19 C +ATOM 10596 O LYS D 261 40.559 -15.210 -21.272 1.00 36.16 O +ATOM 10597 CB LYS D 261 38.279 -15.646 -23.703 1.00 26.67 C +ATOM 10598 CG LYS D 261 39.574 -15.585 -24.526 1.00 27.10 C +ATOM 10599 CD LYS D 261 39.310 -15.447 -26.023 1.00 22.93 C +ATOM 10600 CE LYS D 261 40.605 -15.295 -26.809 1.00 29.53 C +ATOM 10601 NZ LYS D 261 40.381 -15.197 -28.283 1.00 40.28 N +ATOM 10602 H LYS D 261 36.390 -15.874 -21.981 1.00 15.00 H +ATOM 10603 HZ1 LYS D 261 39.761 -14.382 -28.465 1.00 15.00 H +ATOM 10604 HZ2 LYS D 261 41.289 -15.058 -28.771 1.00 15.00 H +ATOM 10605 HZ3 LYS D 261 39.923 -16.063 -28.638 1.00 15.00 H +ATOM 10606 N ASP D 262 38.830 -13.778 -21.186 1.00 33.39 N +ATOM 10607 CA ASP D 262 39.622 -12.717 -20.555 1.00 31.46 C +ATOM 10608 C ASP D 262 40.390 -13.195 -19.315 1.00 32.91 C +ATOM 10609 O ASP D 262 41.583 -12.934 -19.174 1.00 35.80 O +ATOM 10610 CB ASP D 262 38.750 -11.497 -20.196 1.00 45.44 C +ATOM 10611 CG ASP D 262 38.259 -10.713 -21.425 1.00 45.38 C +ATOM 10612 OD1 ASP D 262 39.043 -10.487 -22.368 1.00 39.27 O +ATOM 10613 OD2 ASP D 262 37.083 -10.285 -21.423 1.00 44.92 O +ATOM 10614 H ASP D 262 37.872 -13.649 -21.319 1.00 15.00 H +ATOM 10615 N VAL D 263 39.705 -13.904 -18.425 1.00 33.61 N +ATOM 10616 CA VAL D 263 40.342 -14.405 -17.211 1.00 29.91 C +ATOM 10617 C VAL D 263 41.310 -15.556 -17.461 1.00 26.76 C +ATOM 10618 O VAL D 263 42.476 -15.472 -17.071 1.00 37.53 O +ATOM 10619 CB VAL D 263 39.315 -14.823 -16.127 1.00 30.88 C +ATOM 10620 CG1 VAL D 263 38.754 -13.609 -15.436 1.00 30.10 C +ATOM 10621 CG2 VAL D 263 38.189 -15.623 -16.736 1.00 37.52 C +ATOM 10622 H VAL D 263 38.768 -14.103 -18.620 1.00 15.00 H +ATOM 10623 N LEU D 264 40.847 -16.615 -18.123 1.00 19.58 N +ATOM 10624 CA LEU D 264 41.700 -17.774 -18.391 1.00 18.29 C +ATOM 10625 C LEU D 264 42.945 -17.453 -19.191 1.00 23.61 C +ATOM 10626 O LEU D 264 43.876 -18.254 -19.224 1.00 41.41 O +ATOM 10627 CB LEU D 264 40.940 -18.876 -19.111 1.00 10.37 C +ATOM 10628 CG LEU D 264 39.767 -19.573 -18.443 1.00 18.23 C +ATOM 10629 CD1 LEU D 264 39.344 -20.758 -19.316 1.00 17.39 C +ATOM 10630 CD2 LEU D 264 40.174 -20.050 -17.062 1.00 33.97 C +ATOM 10631 H LEU D 264 39.931 -16.611 -18.479 1.00 15.00 H +ATOM 10632 N MET D 265 42.963 -16.316 -19.874 1.00 27.40 N +ATOM 10633 CA MET D 265 44.141 -15.957 -20.652 1.00 28.49 C +ATOM 10634 C MET D 265 44.929 -14.897 -19.934 1.00 28.33 C +ATOM 10635 O MET D 265 44.402 -13.847 -19.572 1.00 24.56 O +ATOM 10636 CB MET D 265 43.767 -15.445 -22.035 1.00 36.32 C +ATOM 10637 CG MET D 265 43.154 -16.483 -22.917 1.00 34.57 C +ATOM 10638 SD MET D 265 44.329 -17.741 -23.274 1.00 36.68 S +ATOM 10639 CE MET D 265 44.037 -17.957 -25.008 1.00 32.13 C +ATOM 10640 H MET D 265 42.198 -15.700 -19.859 1.00 15.00 H +ATOM 10641 N ILE D 266 46.208 -15.180 -19.752 1.00 30.91 N +ATOM 10642 CA ILE D 266 47.116 -14.264 -19.085 1.00 36.49 C +ATOM 10643 C ILE D 266 47.046 -12.893 -19.751 1.00 38.45 C +ATOM 10644 O ILE D 266 46.715 -11.895 -19.112 1.00 39.18 O +ATOM 10645 CB ILE D 266 48.567 -14.773 -19.193 1.00 37.09 C +ATOM 10646 CG1 ILE D 266 48.633 -16.256 -18.825 1.00 45.28 C +ATOM 10647 CG2 ILE D 266 49.474 -13.969 -18.291 1.00 25.18 C +ATOM 10648 CD1 ILE D 266 49.931 -16.925 -19.217 1.00 50.28 C +ATOM 10649 H ILE D 266 46.504 -16.056 -20.041 1.00 15.00 H +ATOM 10650 N SER D 267 47.304 -12.881 -21.055 1.00 33.59 N +ATOM 10651 CA SER D 267 47.332 -11.661 -21.846 1.00 37.44 C +ATOM 10652 C SER D 267 46.099 -10.761 -21.787 1.00 35.58 C +ATOM 10653 O SER D 267 46.205 -9.567 -21.513 1.00 43.02 O +ATOM 10654 CB SER D 267 47.655 -12.020 -23.290 1.00 39.72 C +ATOM 10655 OG SER D 267 48.736 -12.935 -23.335 1.00 39.09 O +ATOM 10656 H SER D 267 47.531 -13.703 -21.523 1.00 15.00 H +ATOM 10657 HG SER D 267 49.545 -12.484 -23.056 1.00 15.00 H +ATOM 10658 N LEU D 268 44.940 -11.335 -22.063 1.00 30.52 N +ATOM 10659 CA LEU D 268 43.687 -10.594 -22.064 1.00 32.19 C +ATOM 10660 C LEU D 268 43.449 -9.924 -20.717 1.00 31.50 C +ATOM 10661 O LEU D 268 43.971 -10.383 -19.704 1.00 30.12 O +ATOM 10662 CB LEU D 268 42.542 -11.549 -22.390 1.00 36.49 C +ATOM 10663 CG LEU D 268 42.401 -12.080 -23.824 1.00 43.23 C +ATOM 10664 CD1 LEU D 268 41.841 -10.975 -24.708 1.00 49.87 C +ATOM 10665 CD2 LEU D 268 43.720 -12.618 -24.382 1.00 39.62 C +ATOM 10666 H LEU D 268 44.911 -12.296 -22.197 1.00 15.00 H +ATOM 10667 N SER D 269 42.644 -8.863 -20.697 1.00 30.87 N +ATOM 10668 CA SER D 269 42.378 -8.154 -19.450 1.00 35.49 C +ATOM 10669 C SER D 269 40.965 -8.317 -18.952 1.00 33.40 C +ATOM 10670 O SER D 269 40.052 -7.704 -19.477 1.00 41.30 O +ATOM 10671 CB SER D 269 42.693 -6.681 -19.618 1.00 40.96 C +ATOM 10672 OG SER D 269 43.994 -6.543 -20.159 1.00 55.33 O +ATOM 10673 H SER D 269 42.225 -8.525 -21.512 1.00 15.00 H +ATOM 10674 HG SER D 269 44.631 -7.100 -19.698 1.00 15.00 H +ATOM 10675 N PRO D 270 40.776 -9.132 -17.904 1.00 39.13 N +ATOM 10676 CA PRO D 270 39.498 -9.447 -17.253 1.00 38.56 C +ATOM 10677 C PRO D 270 38.918 -8.199 -16.654 1.00 33.66 C +ATOM 10678 O PRO D 270 39.651 -7.359 -16.153 1.00 45.08 O +ATOM 10679 CB PRO D 270 39.905 -10.400 -16.124 1.00 37.40 C +ATOM 10680 CG PRO D 270 41.210 -10.954 -16.572 1.00 46.00 C +ATOM 10681 CD PRO D 270 41.884 -9.756 -17.168 1.00 42.34 C +ATOM 10682 N ILE D 271 37.606 -8.079 -16.667 1.00 29.24 N +ATOM 10683 CA ILE D 271 36.988 -6.897 -16.100 1.00 33.60 C +ATOM 10684 C ILE D 271 35.681 -7.309 -15.464 1.00 34.67 C +ATOM 10685 O ILE D 271 34.993 -8.187 -15.975 1.00 37.26 O +ATOM 10686 CB ILE D 271 36.565 -5.890 -17.194 1.00 37.10 C +ATOM 10687 CG1 ILE D 271 37.506 -5.916 -18.408 1.00 43.26 C +ATOM 10688 CG2 ILE D 271 36.437 -4.520 -16.597 1.00 46.38 C +ATOM 10689 CD1 ILE D 271 38.847 -5.255 -18.209 1.00 51.83 C +ATOM 10690 H ILE D 271 37.026 -8.758 -17.065 1.00 15.00 H +ATOM 10691 N VAL D 272 35.338 -6.689 -14.346 1.00 37.40 N +ATOM 10692 CA VAL D 272 34.061 -6.960 -13.709 1.00 42.34 C +ATOM 10693 C VAL D 272 33.260 -5.676 -13.827 1.00 48.66 C +ATOM 10694 O VAL D 272 33.693 -4.611 -13.365 1.00 51.89 O +ATOM 10695 CB VAL D 272 34.194 -7.345 -12.244 1.00 35.56 C +ATOM 10696 CG1 VAL D 272 32.821 -7.298 -11.575 1.00 29.36 C +ATOM 10697 CG2 VAL D 272 34.759 -8.736 -12.148 1.00 32.33 C +ATOM 10698 H VAL D 272 35.934 -6.036 -13.929 1.00 15.00 H +ATOM 10699 N THR D 273 32.104 -5.775 -14.469 1.00 46.95 N +ATOM 10700 CA THR D 273 31.262 -4.615 -14.679 1.00 49.25 C +ATOM 10701 C THR D 273 30.078 -4.531 -13.751 1.00 51.54 C +ATOM 10702 O THR D 273 29.507 -5.538 -13.333 1.00 54.92 O +ATOM 10703 CB THR D 273 30.798 -4.513 -16.151 1.00 47.86 C +ATOM 10704 OG1 THR D 273 31.904 -4.085 -16.958 1.00 63.19 O +ATOM 10705 CG2 THR D 273 29.651 -3.524 -16.310 1.00 42.27 C +ATOM 10706 H THR D 273 31.804 -6.650 -14.787 1.00 15.00 H +ATOM 10707 HG1 THR D 273 31.615 -3.783 -17.830 1.00 15.00 H +ATOM 10708 N CYS D 274 29.737 -3.303 -13.411 1.00 56.64 N +ATOM 10709 CA CYS D 274 28.612 -3.029 -12.554 1.00 63.57 C +ATOM 10710 C CYS D 274 27.913 -1.907 -13.293 1.00 65.35 C +ATOM 10711 O CYS D 274 28.530 -0.888 -13.607 1.00 61.87 O +ATOM 10712 CB CYS D 274 29.106 -2.557 -11.199 1.00 65.76 C +ATOM 10713 SG CYS D 274 27.885 -2.725 -9.874 1.00 78.57 S +ATOM 10714 H CYS D 274 30.253 -2.536 -13.741 1.00 15.00 H +ATOM 10715 N VAL D 275 26.662 -2.136 -13.669 1.00 70.23 N +ATOM 10716 CA VAL D 275 25.907 -1.133 -14.401 1.00 80.72 C +ATOM 10717 C VAL D 275 24.710 -0.665 -13.592 1.00 89.20 C +ATOM 10718 O VAL D 275 24.001 -1.479 -12.994 1.00 93.25 O +ATOM 10719 CB VAL D 275 25.437 -1.659 -15.779 1.00 74.85 C +ATOM 10720 CG1 VAL D 275 26.621 -1.851 -16.703 1.00 72.75 C +ATOM 10721 CG2 VAL D 275 24.696 -2.963 -15.616 1.00 75.66 C +ATOM 10722 H VAL D 275 26.215 -2.964 -13.399 1.00 15.00 H +ATOM 10723 N VAL D 276 24.519 0.650 -13.532 1.00 95.92 N +ATOM 10724 CA VAL D 276 23.398 1.221 -12.793 1.00 96.51 C +ATOM 10725 C VAL D 276 22.464 1.896 -13.779 1.00 98.33 C +ATOM 10726 O VAL D 276 22.865 2.797 -14.525 1.00 95.94 O +ATOM 10727 CB VAL D 276 23.848 2.242 -11.721 1.00 94.57 C +ATOM 10728 CG1 VAL D 276 22.661 2.666 -10.872 1.00 91.87 C +ATOM 10729 CG2 VAL D 276 24.942 1.651 -10.845 1.00 95.38 C +ATOM 10730 H VAL D 276 25.133 1.251 -14.004 1.00 15.00 H +ATOM 10731 N VAL D 277 21.222 1.432 -13.803 1.00102.40 N +ATOM 10732 CA VAL D 277 20.234 1.981 -14.712 1.00109.08 C +ATOM 10733 C VAL D 277 19.158 2.822 -14.026 1.00119.51 C +ATOM 10734 O VAL D 277 19.077 2.873 -12.793 1.00120.14 O +ATOM 10735 CB VAL D 277 19.568 0.860 -15.550 1.00102.54 C +ATOM 10736 CG1 VAL D 277 20.607 0.173 -16.414 1.00 94.92 C +ATOM 10737 CG2 VAL D 277 18.878 -0.150 -14.646 1.00 89.75 C +ATOM 10738 H VAL D 277 20.981 0.714 -13.196 1.00 15.00 H +ATOM 10739 N ASP D 278 18.347 3.472 -14.865 1.00127.14 N +ATOM 10740 CA ASP D 278 17.221 4.330 -14.477 1.00131.83 C +ATOM 10741 C ASP D 278 17.487 5.543 -13.569 1.00136.69 C +ATOM 10742 O ASP D 278 17.188 5.517 -12.372 1.00136.91 O +ATOM 10743 CB ASP D 278 16.051 3.485 -13.939 1.00127.56 C +ATOM 10744 CG ASP D 278 15.420 2.592 -15.011 1.00124.33 C +ATOM 10745 OD1 ASP D 278 15.358 3.002 -16.193 1.00120.09 O +ATOM 10746 OD2 ASP D 278 14.977 1.476 -14.665 1.00122.87 O +ATOM 10747 H ASP D 278 18.547 3.397 -15.818 1.00 15.00 H +ATOM 10748 N VAL D 279 18.029 6.608 -14.162 1.00141.24 N +ATOM 10749 CA VAL D 279 18.317 7.867 -13.460 1.00145.45 C +ATOM 10750 C VAL D 279 18.118 9.044 -14.428 1.00149.47 C +ATOM 10751 O VAL D 279 18.259 8.881 -15.643 1.00147.72 O +ATOM 10752 CB VAL D 279 19.764 7.919 -12.860 1.00143.79 C +ATOM 10753 CG1 VAL D 279 19.883 6.999 -11.653 1.00140.18 C +ATOM 10754 CG2 VAL D 279 20.803 7.562 -13.907 1.00139.34 C +ATOM 10755 H VAL D 279 18.267 6.552 -15.112 1.00 15.00 H +ATOM 10756 N SER D 280 17.779 10.216 -13.890 1.00154.26 N +ATOM 10757 CA SER D 280 17.548 11.412 -14.705 1.00156.77 C +ATOM 10758 C SER D 280 18.412 12.605 -14.257 1.00157.53 C +ATOM 10759 O SER D 280 19.021 12.570 -13.187 1.00158.32 O +ATOM 10760 CB SER D 280 16.058 11.780 -14.678 1.00157.72 C +ATOM 10761 OG SER D 280 15.770 12.853 -15.559 1.00159.60 O +ATOM 10762 H SER D 280 17.719 10.298 -12.917 1.00 15.00 H +ATOM 10763 HG SER D 280 14.815 12.907 -15.689 1.00 15.00 H +ATOM 10764 N GLU D 281 18.396 13.676 -15.051 1.00156.95 N +ATOM 10765 CA GLU D 281 19.181 14.895 -14.802 1.00156.45 C +ATOM 10766 C GLU D 281 19.175 15.510 -13.395 1.00158.68 C +ATOM 10767 O GLU D 281 20.104 16.236 -13.040 1.00157.84 O +ATOM 10768 CB GLU D 281 18.822 15.975 -15.833 1.00152.58 C +ATOM 10769 CG GLU D 281 19.398 15.745 -17.231 1.00148.07 C +ATOM 10770 CD GLU D 281 18.867 14.490 -17.905 1.00145.53 C +ATOM 10771 OE1 GLU D 281 17.781 14.551 -18.522 1.00145.70 O +ATOM 10772 OE2 GLU D 281 19.541 13.442 -17.823 1.00140.62 O +ATOM 10773 H GLU D 281 17.803 13.629 -15.833 1.00 15.00 H +ATOM 10774 N ASP D 282 18.129 15.250 -12.611 1.00161.82 N +ATOM 10775 CA ASP D 282 18.029 15.783 -11.246 1.00163.19 C +ATOM 10776 C ASP D 282 19.026 15.102 -10.305 1.00165.87 C +ATOM 10777 O ASP D 282 19.454 15.682 -9.304 1.00164.67 O +ATOM 10778 CB ASP D 282 16.601 15.610 -10.709 1.00160.67 C +ATOM 10779 CG ASP D 282 16.453 16.068 -9.263 1.00156.64 C +ATOM 10780 OD1 ASP D 282 16.748 17.249 -8.974 1.00154.49 O +ATOM 10781 OD2 ASP D 282 16.041 15.244 -8.417 1.00154.10 O +ATOM 10782 H ASP D 282 17.420 14.682 -12.960 1.00 15.00 H +ATOM 10783 N ASP D 283 19.366 13.857 -10.622 1.00169.94 N +ATOM 10784 CA ASP D 283 20.307 13.070 -9.831 1.00173.60 C +ATOM 10785 C ASP D 283 21.458 12.697 -10.771 1.00176.11 C +ATOM 10786 O ASP D 283 21.416 11.664 -11.438 1.00175.65 O +ATOM 10787 CB ASP D 283 19.616 11.806 -9.299 1.00174.31 C +ATOM 10788 CG ASP D 283 18.252 12.094 -8.678 1.00175.14 C +ATOM 10789 OD1 ASP D 283 18.171 12.953 -7.772 1.00176.21 O +ATOM 10790 OD2 ASP D 283 17.260 11.463 -9.102 1.00173.66 O +ATOM 10791 H ASP D 283 19.016 13.443 -11.437 1.00 15.00 H +ATOM 10792 N PRO D 284 22.489 13.558 -10.851 1.00179.01 N +ATOM 10793 CA PRO D 284 23.670 13.372 -11.703 1.00179.81 C +ATOM 10794 C PRO D 284 24.632 12.263 -11.264 1.00179.04 C +ATOM 10795 O PRO D 284 24.270 11.088 -11.241 1.00179.43 O +ATOM 10796 CB PRO D 284 24.325 14.752 -11.658 1.00182.18 C +ATOM 10797 CG PRO D 284 24.049 15.189 -10.253 1.00181.89 C +ATOM 10798 CD PRO D 284 22.591 14.815 -10.085 1.00181.00 C +ATOM 10799 N ASP D 285 25.871 12.643 -10.960 1.00178.24 N +ATOM 10800 CA ASP D 285 26.896 11.703 -10.527 1.00177.43 C +ATOM 10801 C ASP D 285 26.406 10.787 -9.408 1.00173.23 C +ATOM 10802 O ASP D 285 25.648 11.206 -8.528 1.00173.37 O +ATOM 10803 CB ASP D 285 28.156 12.460 -10.084 1.00182.57 C +ATOM 10804 CG ASP D 285 27.855 13.582 -9.098 1.00184.52 C +ATOM 10805 OD1 ASP D 285 27.767 13.308 -7.881 1.00185.93 O +ATOM 10806 OD2 ASP D 285 27.711 14.740 -9.544 1.00185.78 O +ATOM 10807 H ASP D 285 26.159 13.569 -11.002 1.00 15.00 H +ATOM 10808 N VAL D 286 26.839 9.533 -9.458 1.00166.90 N +ATOM 10809 CA VAL D 286 26.452 8.545 -8.462 1.00159.51 C +ATOM 10810 C VAL D 286 27.710 7.931 -7.843 1.00156.26 C +ATOM 10811 O VAL D 286 28.730 7.777 -8.518 1.00157.32 O +ATOM 10812 CB VAL D 286 25.587 7.433 -9.096 1.00158.87 C +ATOM 10813 CG1 VAL D 286 24.983 6.561 -8.016 1.00159.59 C +ATOM 10814 CG2 VAL D 286 24.490 8.038 -9.964 1.00154.15 C +ATOM 10815 H VAL D 286 27.456 9.242 -10.158 1.00 15.00 H +ATOM 10816 N GLN D 287 27.633 7.613 -6.555 1.00151.30 N +ATOM 10817 CA GLN D 287 28.745 7.026 -5.807 1.00147.80 C +ATOM 10818 C GLN D 287 29.015 5.577 -6.227 1.00141.44 C +ATOM 10819 O GLN D 287 28.081 4.797 -6.428 1.00142.44 O +ATOM 10820 CB GLN D 287 28.426 7.069 -4.306 1.00152.88 C +ATOM 10821 CG GLN D 287 29.560 6.648 -3.387 1.00158.88 C +ATOM 10822 CD GLN D 287 30.627 7.711 -3.274 1.00163.83 C +ATOM 10823 OE1 GLN D 287 31.668 7.636 -3.924 1.00165.87 O +ATOM 10824 NE2 GLN D 287 30.368 8.720 -2.454 1.00165.79 N +ATOM 10825 H GLN D 287 26.789 7.764 -6.090 1.00 15.00 H +ATOM 10826 HE21 GLN D 287 31.047 9.417 -2.373 1.00 15.00 H +ATOM 10827 HE22 GLN D 287 29.514 8.721 -1.971 1.00 15.00 H +ATOM 10828 N ILE D 288 30.292 5.219 -6.343 1.00130.92 N +ATOM 10829 CA ILE D 288 30.682 3.862 -6.716 1.00117.52 C +ATOM 10830 C ILE D 288 31.702 3.358 -5.706 1.00111.47 C +ATOM 10831 O ILE D 288 32.523 4.126 -5.197 1.00108.89 O +ATOM 10832 CB ILE D 288 31.289 3.789 -8.156 1.00114.94 C +ATOM 10833 CG1 ILE D 288 31.481 2.327 -8.574 1.00110.41 C +ATOM 10834 CG2 ILE D 288 32.634 4.518 -8.226 1.00109.15 C +ATOM 10835 CD1 ILE D 288 30.200 1.506 -8.567 1.00108.45 C +ATOM 10836 H ILE D 288 31.004 5.862 -6.137 1.00 15.00 H +ATOM 10837 N SER D 289 31.635 2.073 -5.394 1.00105.16 N +ATOM 10838 CA SER D 289 32.566 1.499 -4.445 1.00101.39 C +ATOM 10839 C SER D 289 32.797 0.036 -4.782 1.00 98.98 C +ATOM 10840 O SER D 289 31.845 -0.723 -4.952 1.00 98.25 O +ATOM 10841 CB SER D 289 32.014 1.652 -3.027 1.00103.48 C +ATOM 10842 OG SER D 289 31.632 2.997 -2.774 1.00103.10 O +ATOM 10843 H SER D 289 30.921 1.508 -5.755 1.00 15.00 H +ATOM 10844 HG SER D 289 32.273 3.611 -3.162 1.00 15.00 H +ATOM 10845 N TRP D 290 34.065 -0.333 -4.943 1.00 97.83 N +ATOM 10846 CA TRP D 290 34.456 -1.705 -5.265 1.00 95.17 C +ATOM 10847 C TRP D 290 35.260 -2.282 -4.115 1.00 93.09 C +ATOM 10848 O TRP D 290 36.122 -1.594 -3.562 1.00 93.09 O +ATOM 10849 CB TRP D 290 35.310 -1.738 -6.535 1.00 91.16 C +ATOM 10850 CG TRP D 290 34.538 -1.457 -7.768 1.00 92.59 C +ATOM 10851 CD1 TRP D 290 34.363 -0.246 -8.366 1.00 93.72 C +ATOM 10852 CD2 TRP D 290 33.796 -2.404 -8.547 1.00 95.53 C +ATOM 10853 NE1 TRP D 290 33.553 -0.376 -9.467 1.00 96.89 N +ATOM 10854 CE2 TRP D 290 33.192 -1.691 -9.603 1.00 98.15 C +ATOM 10855 CE3 TRP D 290 33.580 -3.786 -8.451 1.00 96.22 C +ATOM 10856 CZ2 TRP D 290 32.383 -2.314 -10.563 1.00 97.28 C +ATOM 10857 CZ3 TRP D 290 32.774 -4.406 -9.405 1.00 97.30 C +ATOM 10858 CH2 TRP D 290 32.187 -3.668 -10.446 1.00 95.40 C +ATOM 10859 H TRP D 290 34.787 0.314 -4.824 1.00 15.00 H +ATOM 10860 HE1 TRP D 290 33.258 0.355 -10.047 1.00 15.00 H +ATOM 10861 N PHE D 291 34.980 -3.531 -3.750 1.00 92.35 N +ATOM 10862 CA PHE D 291 35.696 -4.187 -2.657 1.00 91.03 C +ATOM 10863 C PHE D 291 35.852 -5.687 -2.887 1.00 86.32 C +ATOM 10864 O PHE D 291 34.866 -6.430 -2.939 1.00 85.15 O +ATOM 10865 CB PHE D 291 34.998 -3.935 -1.308 1.00 93.02 C +ATOM 10866 CG PHE D 291 34.858 -2.480 -0.960 1.00 93.35 C +ATOM 10867 CD1 PHE D 291 35.982 -1.678 -0.806 1.00 91.93 C +ATOM 10868 CD2 PHE D 291 33.600 -1.897 -0.857 1.00 94.01 C +ATOM 10869 CE1 PHE D 291 35.859 -0.318 -0.566 1.00 95.54 C +ATOM 10870 CE2 PHE D 291 33.466 -0.537 -0.615 1.00 96.20 C +ATOM 10871 CZ PHE D 291 34.600 0.256 -0.471 1.00 97.97 C +ATOM 10872 H PHE D 291 34.275 -4.019 -4.228 1.00 15.00 H +ATOM 10873 N VAL D 292 37.097 -6.120 -3.047 1.00 79.28 N +ATOM 10874 CA VAL D 292 37.398 -7.529 -3.253 1.00 76.16 C +ATOM 10875 C VAL D 292 37.351 -8.205 -1.894 1.00 82.35 C +ATOM 10876 O VAL D 292 38.257 -8.035 -1.082 1.00 81.65 O +ATOM 10877 CB VAL D 292 38.805 -7.730 -3.859 1.00 68.32 C +ATOM 10878 CG1 VAL D 292 39.148 -9.205 -3.925 1.00 65.55 C +ATOM 10879 CG2 VAL D 292 38.868 -7.131 -5.244 1.00 69.16 C +ATOM 10880 H VAL D 292 37.835 -5.479 -2.990 1.00 15.00 H +ATOM 10881 N ASN D 295 36.270 -8.927 -1.627 1.00 90.98 N +ATOM 10882 CA ASN D 295 36.110 -9.628 -0.359 1.00 99.26 C +ATOM 10883 C ASN D 295 36.063 -8.579 0.748 1.00103.41 C +ATOM 10884 O ASN D 295 36.661 -8.744 1.814 1.00103.02 O +ATOM 10885 CB ASN D 295 37.284 -10.591 -0.140 1.00104.74 C +ATOM 10886 CG ASN D 295 36.925 -11.762 0.749 1.00112.58 C +ATOM 10887 OD1 ASN D 295 36.691 -12.871 0.262 1.00116.04 O +ATOM 10888 ND2 ASN D 295 36.890 -11.531 2.057 1.00118.82 N +ATOM 10889 H ASN D 295 35.562 -8.952 -2.297 1.00 15.00 H +ATOM 10890 HD21 ASN D 295 36.658 -12.273 2.646 1.00 15.00 H +ATOM 10891 HD22 ASN D 295 37.099 -10.621 2.367 1.00 15.00 H +ATOM 10892 N ASN D 296 35.381 -7.475 0.450 1.00109.12 N +ATOM 10893 CA ASN D 296 35.219 -6.354 1.375 1.00116.23 C +ATOM 10894 C ASN D 296 36.465 -5.493 1.573 1.00116.42 C +ATOM 10895 O ASN D 296 36.398 -4.466 2.257 1.00117.62 O +ATOM 10896 CB ASN D 296 34.688 -6.827 2.736 1.00123.82 C +ATOM 10897 CG ASN D 296 33.253 -7.321 2.667 1.00129.73 C +ATOM 10898 OD1 ASN D 296 32.935 -8.249 1.921 1.00129.62 O +ATOM 10899 ND2 ASN D 296 32.378 -6.700 3.447 1.00134.56 N +ATOM 10900 H ASN D 296 34.955 -7.420 -0.429 1.00 15.00 H +ATOM 10901 HD21 ASN D 296 31.451 -7.006 3.413 1.00 15.00 H +ATOM 10902 HD22 ASN D 296 32.705 -5.971 4.013 1.00 15.00 H +ATOM 10903 N VAL D 299 37.592 -5.890 0.980 1.00115.24 N +ATOM 10904 CA VAL D 299 38.818 -5.107 1.120 1.00113.49 C +ATOM 10905 C VAL D 299 38.652 -3.793 0.371 1.00114.96 C +ATOM 10906 O VAL D 299 38.144 -3.753 -0.750 1.00111.74 O +ATOM 10907 CB VAL D 299 40.091 -5.863 0.642 1.00110.79 C +ATOM 10908 CG1 VAL D 299 40.142 -7.254 1.259 1.00109.00 C +ATOM 10909 CG2 VAL D 299 40.171 -5.918 -0.874 1.00111.35 C +ATOM 10910 H VAL D 299 37.618 -6.707 0.441 1.00 15.00 H +ATOM 10911 N GLU D 300 39.073 -2.717 1.013 1.00119.92 N +ATOM 10912 CA GLU D 300 38.940 -1.389 0.452 1.00127.37 C +ATOM 10913 C GLU D 300 39.759 -1.124 -0.807 1.00132.19 C +ATOM 10914 O GLU D 300 40.796 -0.463 -0.737 1.00136.34 O +ATOM 10915 CB GLU D 300 39.281 -0.347 1.523 1.00129.55 C +ATOM 10916 CG GLU D 300 38.424 0.917 1.487 1.00131.31 C +ATOM 10917 CD GLU D 300 37.120 0.783 2.263 1.00132.66 C +ATOM 10918 OE1 GLU D 300 36.666 -0.358 2.511 1.00133.94 O +ATOM 10919 OE2 GLU D 300 36.544 1.831 2.628 1.00130.19 O +ATOM 10920 H GLU D 300 39.492 -2.826 1.889 1.00 15.00 H +ATOM 10921 N VAL D 301 39.318 -1.631 -1.955 1.00136.16 N +ATOM 10922 CA VAL D 301 40.042 -1.352 -3.197 1.00140.51 C +ATOM 10923 C VAL D 301 39.481 -0.042 -3.751 1.00144.17 C +ATOM 10924 O VAL D 301 38.911 0.011 -4.843 1.00142.61 O +ATOM 10925 CB VAL D 301 39.958 -2.504 -4.240 1.00138.58 C +ATOM 10926 CG1 VAL D 301 40.760 -3.695 -3.760 1.00139.23 C +ATOM 10927 CG2 VAL D 301 38.529 -2.909 -4.500 1.00136.80 C +ATOM 10928 H VAL D 301 38.503 -2.182 -1.966 1.00 15.00 H +ATOM 10929 N HIS D 302 39.671 1.011 -2.957 1.00149.54 N +ATOM 10930 CA HIS D 302 39.207 2.371 -3.234 1.00151.70 C +ATOM 10931 C HIS D 302 39.351 2.823 -4.685 1.00151.55 C +ATOM 10932 O HIS D 302 40.386 3.370 -5.080 1.00149.60 O +ATOM 10933 CB HIS D 302 39.929 3.356 -2.305 1.00152.68 C +ATOM 10934 CG HIS D 302 39.210 4.656 -2.115 1.00154.43 C +ATOM 10935 ND1 HIS D 302 38.558 4.981 -0.944 1.00154.67 N +ATOM 10936 CD2 HIS D 302 39.063 5.724 -2.935 1.00154.70 C +ATOM 10937 CE1 HIS D 302 38.046 6.194 -1.048 1.00154.90 C +ATOM 10938 NE2 HIS D 302 38.339 6.666 -2.246 1.00155.31 N +ATOM 10939 H HIS D 302 40.194 0.836 -2.146 1.00 15.00 H +ATOM 10940 HD1 HIS D 302 38.458 4.414 -0.148 1.00 15.00 H +ATOM 10941 HE2 HIS D 302 38.138 7.570 -2.566 1.00 15.00 H +ATOM 10942 N THR D 303 38.286 2.603 -5.453 1.00152.11 N +ATOM 10943 CA THR D 303 38.212 2.970 -6.866 1.00150.84 C +ATOM 10944 C THR D 303 39.447 2.515 -7.644 1.00146.66 C +ATOM 10945 O THR D 303 40.014 3.276 -8.431 1.00144.78 O +ATOM 10946 CB THR D 303 38.004 4.498 -7.035 1.00154.49 C +ATOM 10947 OG1 THR D 303 37.037 4.957 -6.077 1.00156.54 O +ATOM 10948 CG2 THR D 303 37.495 4.821 -8.441 1.00154.40 C +ATOM 10949 H THR D 303 37.515 2.149 -5.069 1.00 15.00 H +ATOM 10950 HG1 THR D 303 36.765 5.848 -6.324 1.00 15.00 H +ATOM 10951 N ALA D 304 39.852 1.268 -7.416 1.00143.02 N +ATOM 10952 CA ALA D 304 41.014 0.693 -8.082 1.00139.70 C +ATOM 10953 C ALA D 304 40.890 0.866 -9.591 1.00136.54 C +ATOM 10954 O ALA D 304 40.324 0.022 -10.287 1.00131.53 O +ATOM 10955 CB ALA D 304 41.159 -0.779 -7.719 1.00140.38 C +ATOM 10956 H ALA D 304 39.347 0.718 -6.778 1.00 15.00 H +ATOM 10957 N GLN D 305 41.368 2.014 -10.065 1.00137.82 N +ATOM 10958 CA GLN D 305 41.347 2.386 -11.477 1.00139.45 C +ATOM 10959 C GLN D 305 40.016 2.046 -12.142 1.00133.80 C +ATOM 10960 O GLN D 305 39.954 1.748 -13.337 1.00134.40 O +ATOM 10961 CB GLN D 305 42.517 1.731 -12.221 1.00148.30 C +ATOM 10962 CG GLN D 305 43.904 2.086 -11.667 1.00160.97 C +ATOM 10963 CD GLN D 305 44.208 3.581 -11.700 1.00166.46 C +ATOM 10964 OE1 GLN D 305 44.469 4.195 -10.666 1.00170.62 O +ATOM 10965 NE2 GLN D 305 44.193 4.165 -12.892 1.00170.53 N +ATOM 10966 H GLN D 305 41.720 2.658 -9.415 1.00 15.00 H +ATOM 10967 HE21 GLN D 305 44.392 5.122 -12.910 1.00 15.00 H +ATOM 10968 HE22 GLN D 305 43.993 3.623 -13.681 1.00 15.00 H +ATOM 10969 N THR D 306 38.946 2.125 -11.366 1.00124.70 N +ATOM 10970 CA THR D 306 37.634 1.815 -11.880 1.00118.99 C +ATOM 10971 C THR D 306 37.078 2.938 -12.739 1.00116.53 C +ATOM 10972 O THR D 306 36.592 3.946 -12.228 1.00117.10 O +ATOM 10973 CB THR D 306 36.669 1.530 -10.747 1.00119.14 C +ATOM 10974 OG1 THR D 306 37.234 0.531 -9.890 1.00119.19 O +ATOM 10975 CG2 THR D 306 35.347 1.047 -11.303 1.00122.09 C +ATOM 10976 H THR D 306 39.033 2.404 -10.433 1.00 15.00 H +ATOM 10977 HG1 THR D 306 37.627 -0.167 -10.431 1.00 15.00 H +ATOM 10978 N GLN D 307 37.168 2.767 -14.050 1.00114.92 N +ATOM 10979 CA GLN D 307 36.649 3.764 -14.972 1.00116.18 C +ATOM 10980 C GLN D 307 35.125 3.680 -14.915 1.00118.83 C +ATOM 10981 O GLN D 307 34.565 2.585 -14.898 1.00118.89 O +ATOM 10982 CB GLN D 307 37.162 3.515 -16.400 1.00113.34 C +ATOM 10983 CG GLN D 307 36.883 2.120 -16.981 1.00115.73 C +ATOM 10984 CD GLN D 307 37.942 1.070 -16.637 1.00116.91 C +ATOM 10985 OE1 GLN D 307 37.892 -0.058 -17.131 1.00114.17 O +ATOM 10986 NE2 GLN D 307 38.907 1.439 -15.805 1.00118.27 N +ATOM 10987 H GLN D 307 37.551 1.916 -14.348 1.00 15.00 H +ATOM 10988 HE21 GLN D 307 39.544 0.728 -15.594 1.00 15.00 H +ATOM 10989 HE22 GLN D 307 38.996 2.326 -15.412 1.00 15.00 H +ATOM 10990 N THR D 308 34.458 4.826 -14.833 1.00123.75 N +ATOM 10991 CA THR D 308 33.001 4.844 -14.766 1.00128.43 C +ATOM 10992 C THR D 308 32.383 5.821 -15.778 1.00132.63 C +ATOM 10993 O THR D 308 32.374 7.035 -15.570 1.00134.00 O +ATOM 10994 CB THR D 308 32.513 5.116 -13.305 1.00125.90 C +ATOM 10995 OG1 THR D 308 31.081 5.100 -13.252 1.00122.43 O +ATOM 10996 CG2 THR D 308 33.045 6.443 -12.773 1.00122.79 C +ATOM 10997 H THR D 308 34.930 5.683 -14.800 1.00 15.00 H +ATOM 10998 HG1 THR D 308 30.748 5.894 -13.691 1.00 15.00 H +ATOM 10999 N HIS D 309 31.902 5.277 -16.896 1.00137.45 N +ATOM 11000 CA HIS D 309 31.290 6.077 -17.961 1.00140.65 C +ATOM 11001 C HIS D 309 29.828 6.398 -17.627 1.00144.31 C +ATOM 11002 O HIS D 309 29.196 5.706 -16.827 1.00144.83 O +ATOM 11003 CB HIS D 309 31.298 5.318 -19.305 1.00140.71 C +ATOM 11004 CG HIS D 309 32.660 4.986 -19.840 1.00139.02 C +ATOM 11005 ND1 HIS D 309 32.882 3.919 -20.685 1.00136.71 N +ATOM 11006 CD2 HIS D 309 33.861 5.598 -19.690 1.00138.17 C +ATOM 11007 CE1 HIS D 309 34.155 3.887 -21.035 1.00134.77 C +ATOM 11008 NE2 HIS D 309 34.771 4.897 -20.445 1.00137.10 N +ATOM 11009 H HIS D 309 31.904 4.295 -16.941 1.00 15.00 H +ATOM 11010 HD1 HIS D 309 32.208 3.271 -20.993 1.00 15.00 H +ATOM 11011 HE2 HIS D 309 35.719 5.132 -20.559 1.00 15.00 H +ATOM 11012 N ARG D 310 29.301 7.445 -18.257 1.00147.65 N +ATOM 11013 CA ARG D 310 27.906 7.856 -18.098 1.00150.05 C +ATOM 11014 C ARG D 310 27.388 8.007 -19.525 1.00151.71 C +ATOM 11015 O ARG D 310 27.839 8.887 -20.262 1.00151.50 O +ATOM 11016 CB ARG D 310 27.789 9.191 -17.351 1.00149.38 C +ATOM 11017 CG ARG D 310 27.915 9.103 -15.831 1.00151.42 C +ATOM 11018 CD ARG D 310 29.361 8.998 -15.376 1.00153.04 C +ATOM 11019 NE ARG D 310 29.472 8.881 -13.923 1.00153.85 N +ATOM 11020 CZ ARG D 310 30.098 9.756 -13.142 1.00153.35 C +ATOM 11021 NH1 ARG D 310 30.678 10.830 -13.665 1.00152.01 N +ATOM 11022 NH2 ARG D 310 30.154 9.551 -11.834 1.00152.64 N +ATOM 11023 H ARG D 310 29.837 7.993 -18.867 1.00 15.00 H +ATOM 11024 HE ARG D 310 29.059 8.105 -13.489 1.00 15.00 H +ATOM 11025 HH11 ARG D 310 30.647 10.990 -14.651 1.00 15.00 H +ATOM 11026 HH12 ARG D 310 31.145 11.483 -13.069 1.00 15.00 H +ATOM 11027 HH21 ARG D 310 29.725 8.739 -11.438 1.00 15.00 H +ATOM 11028 HH22 ARG D 310 30.623 10.207 -11.244 1.00 15.00 H +ATOM 11029 N GLU D 311 26.489 7.115 -19.935 1.00154.58 N +ATOM 11030 CA GLU D 311 25.938 7.133 -21.295 1.00157.74 C +ATOM 11031 C GLU D 311 24.540 7.786 -21.384 1.00158.61 C +ATOM 11032 O GLU D 311 23.985 8.198 -20.366 1.00160.09 O +ATOM 11033 CB GLU D 311 25.905 5.703 -21.860 1.00159.13 C +ATOM 11034 CG GLU D 311 27.139 4.830 -21.536 1.00160.71 C +ATOM 11035 CD GLU D 311 28.395 5.190 -22.331 1.00161.74 C +ATOM 11036 OE1 GLU D 311 28.934 6.304 -22.148 1.00162.03 O +ATOM 11037 OE2 GLU D 311 28.862 4.340 -23.123 1.00159.08 O +ATOM 11038 H GLU D 311 26.174 6.436 -19.303 1.00 15.00 H +ATOM 11039 N ASP D 312 23.980 7.870 -22.595 1.00157.36 N +ATOM 11040 CA ASP D 312 22.656 8.477 -22.822 1.00154.82 C +ATOM 11041 C ASP D 312 21.773 7.539 -23.673 1.00155.22 C +ATOM 11042 O ASP D 312 22.291 6.843 -24.548 1.00155.79 O +ATOM 11043 CB ASP D 312 22.819 9.826 -23.548 1.00149.81 C +ATOM 11044 CG ASP D 312 24.114 10.548 -23.182 1.00145.67 C +ATOM 11045 OD1 ASP D 312 25.157 10.246 -23.804 1.00139.02 O +ATOM 11046 OD2 ASP D 312 24.090 11.424 -22.288 1.00143.28 O +ATOM 11047 H ASP D 312 24.446 7.503 -23.370 1.00 15.00 H +ATOM 11048 N TYR D 313 20.454 7.529 -23.453 1.00154.65 N +ATOM 11049 CA TYR D 313 19.590 6.641 -24.237 1.00154.85 C +ATOM 11050 C TYR D 313 18.108 7.005 -24.443 1.00154.44 C +ATOM 11051 O TYR D 313 17.809 8.041 -25.026 1.00151.35 O +ATOM 11052 CB TYR D 313 19.724 5.190 -23.751 1.00159.21 C +ATOM 11053 CG TYR D 313 19.542 4.160 -24.850 1.00164.34 C +ATOM 11054 CD1 TYR D 313 20.562 3.903 -25.770 1.00166.38 C +ATOM 11055 CD2 TYR D 313 18.349 3.450 -24.980 1.00167.06 C +ATOM 11056 CE1 TYR D 313 20.393 2.966 -26.794 1.00167.05 C +ATOM 11057 CE2 TYR D 313 18.171 2.514 -25.998 1.00166.65 C +ATOM 11058 CZ TYR D 313 19.195 2.276 -26.901 1.00166.76 C +ATOM 11059 OH TYR D 313 19.022 1.361 -27.914 1.00164.53 O +ATOM 11060 H TYR D 313 20.064 8.140 -22.789 1.00 15.00 H +ATOM 11061 HH TYR D 313 18.185 0.922 -27.764 1.00 15.00 H +ATOM 11062 N ASN D 314 17.189 6.169 -23.946 1.00157.06 N +ATOM 11063 CA ASN D 314 15.749 6.366 -24.150 1.00159.43 C +ATOM 11064 C ASN D 314 15.127 7.635 -23.585 1.00162.52 C +ATOM 11065 O ASN D 314 14.168 8.158 -24.150 1.00163.93 O +ATOM 11066 CB ASN D 314 14.934 5.105 -23.748 1.00154.99 C +ATOM 11067 CG ASN D 314 15.118 4.693 -22.274 1.00150.22 C +ATOM 11068 OD1 ASN D 314 15.814 5.370 -21.506 1.00151.80 O +ATOM 11069 ND2 ASN D 314 14.465 3.596 -21.877 1.00143.27 N +ATOM 11070 H ASN D 314 17.432 5.369 -23.436 1.00 15.00 H +ATOM 11071 HD21 ASN D 314 13.479 3.578 -21.894 1.00 15.00 H +ATOM 11072 N SER D 317 15.705 8.136 -22.498 1.00164.71 N +ATOM 11073 CA SER D 317 15.249 9.348 -21.816 1.00166.35 C +ATOM 11074 C SER D 317 15.951 9.428 -20.462 1.00168.31 C +ATOM 11075 O SER D 317 15.843 10.431 -19.753 1.00170.34 O +ATOM 11076 CB SER D 317 13.730 9.319 -21.602 1.00165.41 C +ATOM 11077 OG SER D 317 13.255 10.551 -21.085 1.00164.81 O +ATOM 11078 H SER D 317 16.502 7.652 -22.215 1.00 15.00 H +ATOM 11079 HG SER D 317 13.816 10.814 -20.346 1.00 15.00 H +ATOM 11080 N THR D 318 16.660 8.355 -20.117 1.00169.48 N +ATOM 11081 CA THR D 318 17.381 8.236 -18.853 1.00168.14 C +ATOM 11082 C THR D 318 18.900 8.180 -19.050 1.00164.90 C +ATOM 11083 O THR D 318 19.400 8.314 -20.173 1.00164.65 O +ATOM 11084 CB THR D 318 16.922 6.953 -18.097 1.00170.36 C +ATOM 11085 OG1 THR D 318 17.049 5.807 -18.956 1.00169.84 O +ATOM 11086 CG2 THR D 318 15.466 7.080 -17.646 1.00172.38 C +ATOM 11087 H THR D 318 16.716 7.587 -20.710 1.00 15.00 H +ATOM 11088 HG1 THR D 318 16.431 5.801 -19.702 1.00 15.00 H +ATOM 11089 N LEU D 319 19.617 7.958 -17.954 1.00160.79 N +ATOM 11090 CA LEU D 319 21.071 7.864 -17.971 1.00156.55 C +ATOM 11091 C LEU D 319 21.475 6.514 -17.356 1.00155.14 C +ATOM 11092 O LEU D 319 20.794 6.013 -16.456 1.00157.15 O +ATOM 11093 CB LEU D 319 21.654 9.028 -17.164 1.00151.55 C +ATOM 11094 CG LEU D 319 22.976 9.669 -17.590 1.00148.57 C +ATOM 11095 CD1 LEU D 319 23.185 10.940 -16.795 1.00149.22 C +ATOM 11096 CD2 LEU D 319 24.134 8.716 -17.378 1.00149.65 C +ATOM 11097 H LEU D 319 19.151 7.857 -17.102 1.00 15.00 H +ATOM 11098 N ARG D 320 22.535 5.900 -17.882 1.00150.03 N +ATOM 11099 CA ARG D 320 23.017 4.622 -17.358 1.00141.23 C +ATOM 11100 C ARG D 320 24.513 4.708 -17.071 1.00135.81 C +ATOM 11101 O ARG D 320 25.315 5.015 -17.957 1.00134.80 O +ATOM 11102 CB ARG D 320 22.705 3.454 -18.310 1.00141.10 C +ATOM 11103 CG ARG D 320 23.528 3.395 -19.591 1.00142.90 C +ATOM 11104 CD ARG D 320 23.381 2.039 -20.271 1.00146.38 C +ATOM 11105 NE ARG D 320 24.298 1.871 -21.400 1.00149.45 N +ATOM 11106 CZ ARG D 320 24.933 0.736 -21.692 1.00151.09 C +ATOM 11107 NH1 ARG D 320 24.758 -0.343 -20.940 1.00151.90 N +ATOM 11108 NH2 ARG D 320 25.748 0.676 -22.740 1.00150.37 N +ATOM 11109 H ARG D 320 22.999 6.328 -18.633 1.00 15.00 H +ATOM 11110 HE ARG D 320 24.457 2.640 -21.985 1.00 15.00 H +ATOM 11111 HH11 ARG D 320 24.147 -0.319 -20.148 1.00 15.00 H +ATOM 11112 HH12 ARG D 320 25.240 -1.191 -21.163 1.00 15.00 H +ATOM 11113 HH21 ARG D 320 25.886 1.484 -23.310 1.00 15.00 H +ATOM 11114 HH22 ARG D 320 26.223 -0.178 -22.951 1.00 15.00 H +ATOM 11115 N VAL D 321 24.887 4.508 -15.815 1.00129.88 N +ATOM 11116 CA VAL D 321 26.295 4.580 -15.462 1.00125.76 C +ATOM 11117 C VAL D 321 26.913 3.197 -15.565 1.00121.01 C +ATOM 11118 O VAL D 321 26.295 2.198 -15.189 1.00122.21 O +ATOM 11119 CB VAL D 321 26.518 5.200 -14.061 1.00128.17 C +ATOM 11120 CG1 VAL D 321 26.423 4.147 -12.965 1.00128.10 C +ATOM 11121 CG2 VAL D 321 27.857 5.908 -14.016 1.00129.38 C +ATOM 11122 H VAL D 321 24.205 4.275 -15.151 1.00 15.00 H +ATOM 11123 N VAL D 322 28.118 3.133 -16.113 1.00113.77 N +ATOM 11124 CA VAL D 322 28.793 1.857 -16.269 1.00105.65 C +ATOM 11125 C VAL D 322 30.175 1.863 -15.637 1.00100.56 C +ATOM 11126 O VAL D 322 31.104 2.504 -16.138 1.00100.02 O +ATOM 11127 CB VAL D 322 28.881 1.444 -17.755 1.00105.89 C +ATOM 11128 CG1 VAL D 322 27.487 1.226 -18.315 1.00109.81 C +ATOM 11129 CG2 VAL D 322 29.596 2.502 -18.568 1.00108.48 C +ATOM 11130 H VAL D 322 28.559 3.959 -16.384 1.00 15.00 H +ATOM 11131 N SER D 323 30.295 1.160 -14.515 1.00 94.71 N +ATOM 11132 CA SER D 323 31.557 1.063 -13.789 1.00 87.31 C +ATOM 11133 C SER D 323 32.279 -0.241 -14.132 1.00 80.12 C +ATOM 11134 O SER D 323 31.704 -1.326 -14.014 1.00 78.90 O +ATOM 11135 CB SER D 323 31.289 1.130 -12.287 1.00 87.07 C +ATOM 11136 OG SER D 323 30.436 2.223 -11.981 1.00 95.98 O +ATOM 11137 H SER D 323 29.521 0.690 -14.134 1.00 15.00 H +ATOM 11138 HG SER D 323 30.775 3.056 -12.344 1.00 15.00 H +ATOM 11139 N ALA D 324 33.529 -0.128 -14.570 1.00 72.05 N +ATOM 11140 CA ALA D 324 34.321 -1.297 -14.928 1.00 64.13 C +ATOM 11141 C ALA D 324 35.580 -1.398 -14.078 1.00 59.75 C +ATOM 11142 O ALA D 324 36.400 -0.479 -14.026 1.00 63.77 O +ATOM 11143 CB ALA D 324 34.676 -1.275 -16.410 1.00 60.47 C +ATOM 11144 H ALA D 324 33.950 0.755 -14.666 1.00 15.00 H +ATOM 11145 N LEU D 325 35.716 -2.517 -13.383 1.00 56.07 N +ATOM 11146 CA LEU D 325 36.871 -2.744 -12.537 1.00 50.80 C +ATOM 11147 C LEU D 325 37.768 -3.833 -13.095 1.00 43.42 C +ATOM 11148 O LEU D 325 37.341 -4.977 -13.246 1.00 43.91 O +ATOM 11149 CB LEU D 325 36.432 -3.130 -11.119 1.00 48.53 C +ATOM 11150 CG LEU D 325 37.535 -3.685 -10.206 1.00 42.96 C +ATOM 11151 CD1 LEU D 325 38.598 -2.629 -9.957 1.00 40.10 C +ATOM 11152 CD2 LEU D 325 36.945 -4.168 -8.897 1.00 41.73 C +ATOM 11153 H LEU D 325 35.015 -3.205 -13.438 1.00 15.00 H +ATOM 11154 N PRO D 326 38.972 -3.460 -13.541 1.00 38.56 N +ATOM 11155 CA PRO D 326 39.902 -4.457 -14.072 1.00 38.04 C +ATOM 11156 C PRO D 326 40.313 -5.344 -12.893 1.00 39.29 C +ATOM 11157 O PRO D 326 40.720 -4.853 -11.838 1.00 41.81 O +ATOM 11158 CB PRO D 326 41.059 -3.606 -14.607 1.00 38.65 C +ATOM 11159 CG PRO D 326 40.913 -2.293 -13.883 1.00 43.65 C +ATOM 11160 CD PRO D 326 39.430 -2.100 -13.854 1.00 37.91 C +ATOM 11161 N ILE D 327 40.154 -6.647 -13.074 1.00 39.07 N +ATOM 11162 CA ILE D 327 40.434 -7.639 -12.044 1.00 34.34 C +ATOM 11163 C ILE D 327 41.724 -8.395 -12.295 1.00 30.70 C +ATOM 11164 O ILE D 327 42.244 -8.418 -13.406 1.00 35.41 O +ATOM 11165 CB ILE D 327 39.277 -8.674 -12.016 1.00 38.84 C +ATOM 11166 CG1 ILE D 327 37.948 -7.958 -11.819 1.00 41.90 C +ATOM 11167 CG2 ILE D 327 39.477 -9.709 -10.934 1.00 42.24 C +ATOM 11168 CD1 ILE D 327 37.889 -7.100 -10.583 1.00 26.20 C +ATOM 11169 H ILE D 327 39.875 -6.957 -13.963 1.00 15.00 H +ATOM 11170 N GLN D 328 42.251 -9.017 -11.255 1.00 30.43 N +ATOM 11171 CA GLN D 328 43.448 -9.817 -11.427 1.00 39.46 C +ATOM 11172 C GLN D 328 42.972 -11.229 -11.778 1.00 38.41 C +ATOM 11173 O GLN D 328 42.091 -11.782 -11.111 1.00 31.82 O +ATOM 11174 CB GLN D 328 44.297 -9.816 -10.157 1.00 49.07 C +ATOM 11175 CG GLN D 328 45.652 -9.152 -10.340 1.00 65.73 C +ATOM 11176 CD GLN D 328 46.461 -9.776 -11.473 1.00 77.80 C +ATOM 11177 OE1 GLN D 328 46.122 -10.853 -11.984 1.00 81.86 O +ATOM 11178 NE2 GLN D 328 47.528 -9.097 -11.880 1.00 80.61 N +ATOM 11179 H GLN D 328 41.835 -8.938 -10.377 1.00 15.00 H +ATOM 11180 HE21 GLN D 328 48.078 -9.482 -12.591 1.00 15.00 H +ATOM 11181 HE22 GLN D 328 47.721 -8.244 -11.438 1.00 15.00 H +ATOM 11182 N HIS D 329 43.533 -11.794 -12.844 1.00 38.73 N +ATOM 11183 CA HIS D 329 43.151 -13.127 -13.304 1.00 36.49 C +ATOM 11184 C HIS D 329 42.979 -14.119 -12.154 1.00 42.22 C +ATOM 11185 O HIS D 329 41.871 -14.574 -11.880 1.00 42.95 O +ATOM 11186 CB HIS D 329 44.181 -13.676 -14.289 1.00 38.79 C +ATOM 11187 CG HIS D 329 44.316 -12.873 -15.544 1.00 46.98 C +ATOM 11188 ND1 HIS D 329 44.736 -11.560 -15.553 1.00 46.76 N +ATOM 11189 CD2 HIS D 329 44.130 -13.216 -16.840 1.00 48.94 C +ATOM 11190 CE1 HIS D 329 44.807 -11.131 -16.800 1.00 45.31 C +ATOM 11191 NE2 HIS D 329 44.443 -12.116 -17.600 1.00 51.18 N +ATOM 11192 H HIS D 329 44.243 -11.271 -13.254 1.00 15.00 H +ATOM 11193 HD1 HIS D 329 44.971 -10.984 -14.805 1.00 15.00 H +ATOM 11194 HE2 HIS D 329 44.397 -12.073 -18.591 1.00 15.00 H +ATOM 11195 N GLN D 330 44.066 -14.416 -11.450 1.00 48.54 N +ATOM 11196 CA GLN D 330 43.999 -15.364 -10.351 1.00 55.94 C +ATOM 11197 C GLN D 330 42.995 -14.983 -9.287 1.00 55.28 C +ATOM 11198 O GLN D 330 42.403 -15.860 -8.663 1.00 56.33 O +ATOM 11199 CB GLN D 330 45.376 -15.595 -9.730 1.00 66.77 C +ATOM 11200 CG GLN D 330 46.135 -16.775 -10.350 1.00 92.71 C +ATOM 11201 CD GLN D 330 45.404 -18.116 -10.194 1.00105.06 C +ATOM 11202 OE1 GLN D 330 45.079 -18.535 -9.081 1.00105.93 O +ATOM 11203 NE2 GLN D 330 45.156 -18.795 -11.315 1.00110.46 N +ATOM 11204 H GLN D 330 44.917 -13.980 -11.655 1.00 15.00 H +ATOM 11205 HE21 GLN D 330 44.672 -19.634 -11.195 1.00 15.00 H +ATOM 11206 HE22 GLN D 330 45.463 -18.431 -12.167 1.00 15.00 H +ATOM 11207 N ASP D 331 42.760 -13.683 -9.125 1.00 55.84 N +ATOM 11208 CA ASP D 331 41.808 -13.188 -8.129 1.00 56.00 C +ATOM 11209 C ASP D 331 40.449 -13.831 -8.340 1.00 50.93 C +ATOM 11210 O ASP D 331 39.912 -14.485 -7.442 1.00 47.81 O +ATOM 11211 CB ASP D 331 41.663 -11.663 -8.224 1.00 66.38 C +ATOM 11212 CG ASP D 331 42.158 -10.936 -6.977 1.00 75.04 C +ATOM 11213 OD1 ASP D 331 42.786 -11.573 -6.103 1.00 84.16 O +ATOM 11214 OD2 ASP D 331 41.916 -9.714 -6.871 1.00 77.56 O +ATOM 11215 H ASP D 331 43.202 -13.034 -9.702 1.00 15.00 H +ATOM 11216 N TRP D 332 39.911 -13.662 -9.543 1.00 52.70 N +ATOM 11217 CA TRP D 332 38.606 -14.224 -9.891 1.00 51.71 C +ATOM 11218 C TRP D 332 38.649 -15.743 -9.736 1.00 47.98 C +ATOM 11219 O TRP D 332 37.789 -16.333 -9.079 1.00 52.84 O +ATOM 11220 CB TRP D 332 38.217 -13.828 -11.331 1.00 47.72 C +ATOM 11221 CG TRP D 332 36.914 -14.415 -11.811 1.00 40.46 C +ATOM 11222 CD1 TRP D 332 36.744 -15.597 -12.474 1.00 46.16 C +ATOM 11223 CD2 TRP D 332 35.600 -13.888 -11.595 1.00 42.43 C +ATOM 11224 NE1 TRP D 332 35.408 -15.848 -12.666 1.00 41.63 N +ATOM 11225 CE2 TRP D 332 34.683 -14.814 -12.138 1.00 39.72 C +ATOM 11226 CE3 TRP D 332 35.106 -12.726 -10.988 1.00 46.17 C +ATOM 11227 CZ2 TRP D 332 33.301 -14.615 -12.092 1.00 44.22 C +ATOM 11228 CZ3 TRP D 332 33.730 -12.528 -10.942 1.00 46.05 C +ATOM 11229 CH2 TRP D 332 32.845 -13.470 -11.492 1.00 47.10 C +ATOM 11230 H TRP D 332 40.417 -13.156 -10.216 1.00 15.00 H +ATOM 11231 HE1 TRP D 332 35.046 -16.625 -13.141 1.00 15.00 H +ATOM 11232 N MET D 333 39.696 -16.354 -10.283 1.00 44.96 N +ATOM 11233 CA MET D 333 39.878 -17.802 -10.239 1.00 49.15 C +ATOM 11234 C MET D 333 39.831 -18.415 -8.843 1.00 51.22 C +ATOM 11235 O MET D 333 39.491 -19.587 -8.675 1.00 44.19 O +ATOM 11236 CB MET D 333 41.189 -18.160 -10.916 1.00 50.28 C +ATOM 11237 CG MET D 333 41.141 -17.965 -12.405 1.00 54.11 C +ATOM 11238 SD MET D 333 39.999 -19.135 -13.116 1.00 33.34 S +ATOM 11239 CE MET D 333 41.123 -20.495 -13.439 1.00 52.29 C +ATOM 11240 H MET D 333 40.369 -15.794 -10.729 1.00 15.00 H +ATOM 11241 N SER D 334 40.169 -17.609 -7.848 1.00 54.35 N +ATOM 11242 CA SER D 334 40.169 -18.055 -6.470 1.00 58.85 C +ATOM 11243 C SER D 334 38.821 -17.786 -5.811 1.00 57.23 C +ATOM 11244 O SER D 334 38.749 -17.525 -4.613 1.00 66.37 O +ATOM 11245 CB SER D 334 41.286 -17.351 -5.701 1.00 60.99 C +ATOM 11246 OG SER D 334 42.541 -17.584 -6.314 1.00 70.27 O +ATOM 11247 H SER D 334 40.441 -16.685 -8.031 1.00 15.00 H +ATOM 11248 HG SER D 334 42.545 -17.232 -7.213 1.00 15.00 H +ATOM 11249 N GLY D 335 37.758 -17.811 -6.604 1.00 52.27 N +ATOM 11250 CA GLY D 335 36.426 -17.587 -6.071 1.00 51.08 C +ATOM 11251 C GLY D 335 36.296 -16.463 -5.061 1.00 47.05 C +ATOM 11252 O GLY D 335 35.482 -16.541 -4.135 1.00 51.98 O +ATOM 11253 H GLY D 335 37.853 -17.964 -7.564 1.00 15.00 H +ATOM 11254 N LYS D 336 37.096 -15.419 -5.226 1.00 41.79 N +ATOM 11255 CA LYS D 336 37.033 -14.293 -4.317 1.00 49.20 C +ATOM 11256 C LYS D 336 35.741 -13.543 -4.548 1.00 51.46 C +ATOM 11257 O LYS D 336 35.104 -13.698 -5.593 1.00 52.00 O +ATOM 11258 CB LYS D 336 38.213 -13.366 -4.545 1.00 56.56 C +ATOM 11259 CG LYS D 336 39.547 -14.038 -4.320 1.00 74.60 C +ATOM 11260 CD LYS D 336 39.700 -14.517 -2.882 1.00 80.73 C +ATOM 11261 CE LYS D 336 41.076 -15.130 -2.662 1.00 89.07 C +ATOM 11262 NZ LYS D 336 42.184 -14.199 -3.050 1.00 93.13 N +ATOM 11263 H LYS D 336 37.716 -15.411 -5.980 1.00 15.00 H +ATOM 11264 HZ1 LYS D 336 42.114 -13.324 -2.493 1.00 15.00 H +ATOM 11265 HZ2 LYS D 336 43.101 -14.654 -2.872 1.00 15.00 H +ATOM 11266 HZ3 LYS D 336 42.103 -13.969 -4.061 1.00 15.00 H +ATOM 11267 N GLU D 337 35.355 -12.729 -3.574 1.00 59.06 N +ATOM 11268 CA GLU D 337 34.124 -11.958 -3.677 1.00 69.28 C +ATOM 11269 C GLU D 337 34.365 -10.572 -4.264 1.00 68.27 C +ATOM 11270 O GLU D 337 35.290 -9.871 -3.863 1.00 66.31 O +ATOM 11271 CB GLU D 337 33.450 -11.838 -2.303 1.00 83.41 C +ATOM 11272 CG GLU D 337 33.054 -13.180 -1.667 1.00102.37 C +ATOM 11273 CD GLU D 337 32.221 -13.036 -0.387 1.00112.49 C +ATOM 11274 OE1 GLU D 337 32.290 -11.976 0.281 1.00117.56 O +ATOM 11275 OE2 GLU D 337 31.496 -13.999 -0.046 1.00116.49 O +ATOM 11276 H GLU D 337 35.908 -12.656 -2.770 1.00 15.00 H +ATOM 11277 N PHE D 338 33.544 -10.192 -5.234 1.00 72.71 N +ATOM 11278 CA PHE D 338 33.655 -8.884 -5.865 1.00 75.69 C +ATOM 11279 C PHE D 338 32.361 -8.137 -5.641 1.00 81.48 C +ATOM 11280 O PHE D 338 31.321 -8.466 -6.218 1.00 81.86 O +ATOM 11281 CB PHE D 338 33.949 -9.015 -7.354 1.00 69.36 C +ATOM 11282 CG PHE D 338 35.315 -9.535 -7.640 1.00 63.30 C +ATOM 11283 CD1 PHE D 338 36.386 -8.662 -7.766 1.00 61.74 C +ATOM 11284 CD2 PHE D 338 35.543 -10.901 -7.738 1.00 62.80 C +ATOM 11285 CE1 PHE D 338 37.667 -9.140 -7.982 1.00 59.30 C +ATOM 11286 CE2 PHE D 338 36.820 -11.391 -7.954 1.00 64.58 C +ATOM 11287 CZ PHE D 338 37.886 -10.507 -8.076 1.00 62.56 C +ATOM 11288 H PHE D 338 32.844 -10.803 -5.556 1.00 15.00 H +ATOM 11289 N LYS D 339 32.439 -7.127 -4.791 1.00 89.60 N +ATOM 11290 CA LYS D 339 31.282 -6.334 -4.430 1.00 94.15 C +ATOM 11291 C LYS D 339 31.260 -5.003 -5.150 1.00 93.81 C +ATOM 11292 O LYS D 339 32.302 -4.458 -5.515 1.00 92.30 O +ATOM 11293 CB LYS D 339 31.273 -6.087 -2.916 1.00 99.10 C +ATOM 11294 CG LYS D 339 30.053 -5.323 -2.413 1.00109.41 C +ATOM 11295 CD LYS D 339 30.276 -4.689 -1.037 1.00115.98 C +ATOM 11296 CE LYS D 339 30.376 -5.716 0.087 1.00116.07 C +ATOM 11297 NZ LYS D 339 30.426 -5.049 1.425 1.00113.39 N +ATOM 11298 H LYS D 339 33.307 -6.893 -4.403 1.00 15.00 H +ATOM 11299 HZ1 LYS D 339 31.251 -4.417 1.470 1.00 15.00 H +ATOM 11300 HZ2 LYS D 339 29.557 -4.492 1.561 1.00 15.00 H +ATOM 11301 HZ3 LYS D 339 30.495 -5.769 2.172 1.00 15.00 H +ATOM 11302 N CYS D 340 30.060 -4.468 -5.307 1.00 94.09 N +ATOM 11303 CA CYS D 340 29.858 -3.191 -5.955 1.00 97.79 C +ATOM 11304 C CYS D 340 28.780 -2.484 -5.148 1.00106.64 C +ATOM 11305 O CYS D 340 27.657 -2.977 -5.041 1.00108.51 O +ATOM 11306 CB CYS D 340 29.425 -3.416 -7.399 1.00 90.72 C +ATOM 11307 SG CYS D 340 28.842 -1.936 -8.269 1.00 80.68 S +ATOM 11308 H CYS D 340 29.261 -4.948 -4.993 1.00 15.00 H +ATOM 11309 N LYS D 341 29.157 -1.371 -4.522 1.00116.01 N +ATOM 11310 CA LYS D 341 28.259 -0.582 -3.681 1.00120.96 C +ATOM 11311 C LYS D 341 27.949 0.763 -4.336 1.00122.59 C +ATOM 11312 O LYS D 341 28.841 1.595 -4.527 1.00119.04 O +ATOM 11313 CB LYS D 341 28.897 -0.368 -2.303 1.00122.55 C +ATOM 11314 CG LYS D 341 28.060 0.452 -1.335 1.00128.04 C +ATOM 11315 CD LYS D 341 28.822 0.717 -0.044 1.00133.46 C +ATOM 11316 CE LYS D 341 28.041 1.638 0.885 1.00135.47 C +ATOM 11317 NZ LYS D 341 28.798 1.946 2.132 1.00136.31 N +ATOM 11318 H LYS D 341 30.064 -1.046 -4.647 1.00 15.00 H +ATOM 11319 HZ1 LYS D 341 29.711 2.382 1.890 1.00 15.00 H +ATOM 11320 HZ2 LYS D 341 28.247 2.597 2.725 1.00 15.00 H +ATOM 11321 HZ3 LYS D 341 28.966 1.063 2.656 1.00 15.00 H +ATOM 11322 N VAL D 342 26.676 0.960 -4.662 1.00125.91 N +ATOM 11323 CA VAL D 342 26.188 2.167 -5.317 1.00131.85 C +ATOM 11324 C VAL D 342 25.419 3.038 -4.319 1.00136.51 C +ATOM 11325 O VAL D 342 24.606 2.527 -3.545 1.00136.60 O +ATOM 11326 CB VAL D 342 25.240 1.777 -6.485 1.00129.48 C +ATOM 11327 CG1 VAL D 342 24.789 3.004 -7.251 1.00133.66 C +ATOM 11328 CG2 VAL D 342 25.925 0.788 -7.415 1.00128.45 C +ATOM 11329 H VAL D 342 26.011 0.272 -4.444 1.00 15.00 H +ATOM 11330 N ASN D 343 25.638 4.351 -4.373 1.00143.05 N +ATOM 11331 CA ASN D 343 24.978 5.289 -3.465 1.00146.16 C +ATOM 11332 C ASN D 343 24.658 6.631 -4.138 1.00148.31 C +ATOM 11333 O ASN D 343 25.408 7.102 -4.993 1.00147.33 O +ATOM 11334 CB ASN D 343 25.877 5.503 -2.235 1.00144.59 C +ATOM 11335 CG ASN D 343 25.476 6.708 -1.410 1.00144.50 C +ATOM 11336 OD1 ASN D 343 26.048 7.788 -1.554 1.00144.61 O +ATOM 11337 ND2 ASN D 343 24.499 6.529 -0.533 1.00144.05 N +ATOM 11338 H ASN D 343 26.260 4.696 -5.054 1.00 15.00 H +ATOM 11339 HD21 ASN D 343 24.230 7.306 -0.002 1.00 15.00 H +ATOM 11340 HD22 ASN D 343 24.087 5.649 -0.447 1.00 15.00 H +ATOM 11341 N ASN D 344 23.543 7.237 -3.739 1.00151.18 N +ATOM 11342 CA ASN D 344 23.097 8.521 -4.276 1.00154.10 C +ATOM 11343 C ASN D 344 22.058 9.075 -3.298 1.00156.39 C +ATOM 11344 O ASN D 344 21.488 8.319 -2.513 1.00156.93 O +ATOM 11345 CB ASN D 344 22.472 8.315 -5.662 1.00153.17 C +ATOM 11346 CG ASN D 344 22.068 9.618 -6.322 1.00154.56 C +ATOM 11347 OD1 ASN D 344 20.971 10.127 -6.092 1.00153.83 O +ATOM 11348 ND2 ASN D 344 22.956 10.170 -7.139 1.00157.47 N +ATOM 11349 H ASN D 344 22.979 6.840 -3.040 1.00 15.00 H +ATOM 11350 HD21 ASN D 344 22.693 10.996 -7.595 1.00 15.00 H +ATOM 11351 HD22 ASN D 344 23.834 9.760 -7.294 1.00 15.00 H +ATOM 11352 N LYS D 345 21.796 10.378 -3.362 1.00158.22 N +ATOM 11353 CA LYS D 345 20.838 11.035 -2.466 1.00159.79 C +ATOM 11354 C LYS D 345 19.425 10.434 -2.393 1.00159.35 C +ATOM 11355 O LYS D 345 18.849 10.340 -1.307 1.00158.50 O +ATOM 11356 CB LYS D 345 20.738 12.529 -2.800 1.00161.21 C +ATOM 11357 CG LYS D 345 21.977 13.349 -2.449 1.00163.68 C +ATOM 11358 CD LYS D 345 22.203 13.404 -0.940 1.00165.91 C +ATOM 11359 CE LYS D 345 23.327 14.371 -0.561 1.00168.05 C +ATOM 11360 NZ LYS D 345 24.671 13.970 -1.076 1.00164.94 N +ATOM 11361 H LYS D 345 22.250 10.917 -4.041 1.00 15.00 H +ATOM 11362 HZ1 LYS D 345 24.921 13.037 -0.694 1.00 15.00 H +ATOM 11363 HZ2 LYS D 345 24.656 13.926 -2.114 1.00 15.00 H +ATOM 11364 HZ3 LYS D 345 25.379 14.667 -0.771 1.00 15.00 H +ATOM 11365 N ASP D 346 18.868 10.043 -3.539 1.00158.12 N +ATOM 11366 CA ASP D 346 17.517 9.474 -3.585 1.00154.85 C +ATOM 11367 C ASP D 346 17.431 8.047 -3.040 1.00155.34 C +ATOM 11368 O ASP D 346 16.342 7.478 -2.935 1.00154.89 O +ATOM 11369 CB ASP D 346 16.950 9.525 -5.016 1.00149.66 C +ATOM 11370 CG ASP D 346 17.378 8.336 -5.872 1.00143.61 C +ATOM 11371 OD1 ASP D 346 18.561 8.271 -6.267 1.00141.77 O +ATOM 11372 OD2 ASP D 346 16.522 7.471 -6.158 1.00135.34 O +ATOM 11373 H ASP D 346 19.379 10.133 -4.373 1.00 15.00 H +ATOM 11374 N LEU D 347 18.580 7.461 -2.724 1.00156.32 N +ATOM 11375 CA LEU D 347 18.612 6.105 -2.200 1.00158.17 C +ATOM 11376 C LEU D 347 18.431 6.083 -0.692 1.00160.10 C +ATOM 11377 O LEU D 347 19.224 6.670 0.046 1.00160.70 O +ATOM 11378 CB LEU D 347 19.922 5.401 -2.570 1.00156.58 C +ATOM 11379 CG LEU D 347 20.050 4.839 -3.986 1.00156.47 C +ATOM 11380 CD1 LEU D 347 21.413 4.199 -4.157 1.00156.24 C +ATOM 11381 CD2 LEU D 347 18.956 3.815 -4.237 1.00156.31 C +ATOM 11382 H LEU D 347 19.425 7.946 -2.788 1.00 15.00 H +ATOM 11383 N PRO D 348 17.353 5.441 -0.216 1.00160.98 N +ATOM 11384 CA PRO D 348 17.099 5.358 1.224 1.00161.92 C +ATOM 11385 C PRO D 348 18.241 4.610 1.916 1.00162.80 C +ATOM 11386 O PRO D 348 18.629 4.942 3.037 1.00162.64 O +ATOM 11387 CB PRO D 348 15.781 4.593 1.281 1.00161.29 C +ATOM 11388 CG PRO D 348 15.081 5.072 0.054 1.00160.10 C +ATOM 11389 CD PRO D 348 16.182 4.972 -0.975 1.00160.16 C +ATOM 11390 N ALA D 349 18.798 3.627 1.213 1.00164.33 N +ATOM 11391 CA ALA D 349 19.912 2.826 1.707 1.00165.72 C +ATOM 11392 C ALA D 349 20.714 2.379 0.487 1.00166.12 C +ATOM 11393 O ALA D 349 20.138 2.114 -0.574 1.00164.97 O +ATOM 11394 CB ALA D 349 19.398 1.620 2.476 1.00166.10 C +ATOM 11395 H ALA D 349 18.464 3.404 0.322 1.00 15.00 H +ATOM 11396 N PRO D 350 22.054 2.314 0.611 1.00167.35 N +ATOM 11397 CA PRO D 350 22.914 1.900 -0.504 1.00166.55 C +ATOM 11398 C PRO D 350 22.618 0.486 -1.002 1.00164.81 C +ATOM 11399 O PRO D 350 22.319 -0.412 -0.211 1.00164.93 O +ATOM 11400 CB PRO D 350 24.320 2.004 0.096 1.00166.75 C +ATOM 11401 CG PRO D 350 24.093 1.697 1.545 1.00167.50 C +ATOM 11402 CD PRO D 350 22.850 2.509 1.837 1.00167.72 C +ATOM 11403 N ILE D 351 22.671 0.301 -2.317 1.00161.79 N +ATOM 11404 CA ILE D 351 22.431 -1.007 -2.917 1.00156.80 C +ATOM 11405 C ILE D 351 23.763 -1.568 -3.401 1.00152.78 C +ATOM 11406 O ILE D 351 24.491 -0.907 -4.148 1.00153.10 O +ATOM 11407 CB ILE D 351 21.420 -0.944 -4.098 1.00156.55 C +ATOM 11408 CG1 ILE D 351 21.822 0.143 -5.102 1.00157.44 C +ATOM 11409 CG2 ILE D 351 20.010 -0.722 -3.567 1.00157.17 C +ATOM 11410 CD1 ILE D 351 20.931 0.217 -6.330 1.00156.24 C +ATOM 11411 H ILE D 351 22.914 1.053 -2.899 1.00 15.00 H +ATOM 11412 N GLU D 352 24.101 -2.768 -2.941 1.00146.39 N +ATOM 11413 CA GLU D 352 25.354 -3.396 -3.330 1.00138.65 C +ATOM 11414 C GLU D 352 25.185 -4.826 -3.827 1.00135.73 C +ATOM 11415 O GLU D 352 24.575 -5.659 -3.154 1.00137.33 O +ATOM 11416 CB GLU D 352 26.365 -3.342 -2.176 1.00133.52 C +ATOM 11417 CG GLU D 352 25.835 -3.820 -0.836 1.00128.29 C +ATOM 11418 CD GLU D 352 26.879 -3.754 0.259 1.00126.97 C +ATOM 11419 OE1 GLU D 352 27.450 -2.664 0.479 1.00125.46 O +ATOM 11420 OE2 GLU D 352 27.130 -4.796 0.900 1.00127.94 O +ATOM 11421 H GLU D 352 23.505 -3.258 -2.340 1.00 15.00 H +ATOM 11422 N ARG D 353 25.670 -5.079 -5.040 1.00129.29 N +ATOM 11423 CA ARG D 353 25.604 -6.408 -5.634 1.00121.24 C +ATOM 11424 C ARG D 353 26.915 -7.150 -5.386 1.00112.01 C +ATOM 11425 O ARG D 353 27.894 -6.565 -4.905 1.00109.12 O +ATOM 11426 CB ARG D 353 25.320 -6.336 -7.139 1.00127.67 C +ATOM 11427 CG ARG D 353 23.841 -6.294 -7.502 1.00135.82 C +ATOM 11428 CD ARG D 353 23.589 -6.834 -8.918 1.00147.55 C +ATOM 11429 NE ARG D 353 23.945 -8.253 -9.059 1.00158.36 N +ATOM 11430 CZ ARG D 353 23.527 -9.054 -10.043 1.00161.61 C +ATOM 11431 NH1 ARG D 353 22.732 -8.595 -11.001 1.00164.35 N +ATOM 11432 NH2 ARG D 353 23.913 -10.326 -10.074 1.00160.69 N +ATOM 11433 H ARG D 353 26.118 -4.348 -5.516 1.00 15.00 H +ATOM 11434 HE ARG D 353 24.532 -8.643 -8.378 1.00 15.00 H +ATOM 11435 HH11 ARG D 353 22.428 -7.643 -11.002 1.00 15.00 H +ATOM 11436 HH12 ARG D 353 22.432 -9.215 -11.726 1.00 15.00 H +ATOM 11437 HH21 ARG D 353 24.518 -10.683 -9.363 1.00 15.00 H +ATOM 11438 HH22 ARG D 353 23.600 -10.922 -10.813 1.00 15.00 H +ATOM 11439 N THR D 354 26.935 -8.433 -5.728 1.00 99.87 N +ATOM 11440 CA THR D 354 28.119 -9.255 -5.536 1.00 88.48 C +ATOM 11441 C THR D 354 28.141 -10.400 -6.553 1.00 80.68 C +ATOM 11442 O THR D 354 27.103 -10.988 -6.867 1.00 79.41 O +ATOM 11443 CB THR D 354 28.150 -9.837 -4.102 1.00 89.37 C +ATOM 11444 OG1 THR D 354 27.717 -8.836 -3.171 1.00 87.79 O +ATOM 11445 CG2 THR D 354 29.564 -10.276 -3.725 1.00 90.38 C +ATOM 11446 H THR D 354 26.152 -8.875 -6.115 1.00 15.00 H +ATOM 11447 HG1 THR D 354 28.157 -7.998 -3.362 1.00 15.00 H +ATOM 11448 N ILE D 355 29.321 -10.676 -7.097 1.00 68.54 N +ATOM 11449 CA ILE D 355 29.506 -11.745 -8.069 1.00 59.36 C +ATOM 11450 C ILE D 355 30.753 -12.502 -7.631 1.00 54.85 C +ATOM 11451 O ILE D 355 31.549 -11.982 -6.847 1.00 49.10 O +ATOM 11452 CB ILE D 355 29.694 -11.172 -9.512 1.00 56.40 C +ATOM 11453 CG1 ILE D 355 29.881 -12.293 -10.539 1.00 53.62 C +ATOM 11454 CG2 ILE D 355 30.890 -10.245 -9.563 1.00 54.92 C +ATOM 11455 CD1 ILE D 355 28.710 -13.233 -10.676 1.00 57.36 C +ATOM 11456 H ILE D 355 30.116 -10.157 -6.836 1.00 15.00 H +ATOM 11457 N SER D 357 30.890 -13.742 -8.086 1.00 54.34 N +ATOM 11458 CA SER D 357 32.048 -14.564 -7.756 1.00 51.50 C +ATOM 11459 C SER D 357 32.008 -15.801 -8.629 1.00 47.44 C +ATOM 11460 O SER D 357 31.013 -16.044 -9.316 1.00 52.28 O +ATOM 11461 CB SER D 357 32.011 -14.971 -6.284 1.00 51.25 C +ATOM 11462 OG SER D 357 30.773 -15.575 -5.962 1.00 52.95 O +ATOM 11463 H SER D 357 30.202 -14.178 -8.631 1.00 15.00 H +ATOM 11464 HG SER D 357 30.844 -15.869 -5.049 1.00 15.00 H +ATOM 11465 N LYS D 358 33.111 -16.543 -8.662 1.00 47.37 N +ATOM 11466 CA LYS D 358 33.150 -17.770 -9.443 1.00 42.25 C +ATOM 11467 C LYS D 358 32.597 -18.918 -8.601 1.00 38.04 C +ATOM 11468 O LYS D 358 33.081 -19.192 -7.498 1.00 38.13 O +ATOM 11469 CB LYS D 358 34.563 -18.116 -9.910 1.00 45.31 C +ATOM 11470 CG LYS D 358 34.585 -19.425 -10.695 1.00 45.46 C +ATOM 11471 CD LYS D 358 35.967 -19.861 -11.098 1.00 46.40 C +ATOM 11472 CE LYS D 358 35.889 -21.176 -11.851 1.00 45.26 C +ATOM 11473 NZ LYS D 358 37.213 -21.601 -12.360 1.00 44.32 N +ATOM 11474 H LYS D 358 33.894 -16.271 -8.143 1.00 15.00 H +ATOM 11475 HZ1 LYS D 358 37.878 -21.729 -11.571 1.00 15.00 H +ATOM 11476 HZ2 LYS D 358 37.072 -22.491 -12.844 1.00 15.00 H +ATOM 11477 HZ3 LYS D 358 37.571 -20.889 -13.026 1.00 15.00 H +ATOM 11478 N PRO D 359 31.554 -19.582 -9.103 1.00 30.87 N +ATOM 11479 CA PRO D 359 30.927 -20.696 -8.408 1.00 28.67 C +ATOM 11480 C PRO D 359 31.841 -21.907 -8.361 1.00 33.51 C +ATOM 11481 O PRO D 359 32.530 -22.225 -9.342 1.00 38.29 O +ATOM 11482 CB PRO D 359 29.708 -20.969 -9.270 1.00 31.65 C +ATOM 11483 CG PRO D 359 30.203 -20.638 -10.637 1.00 26.32 C +ATOM 11484 CD PRO D 359 30.889 -19.338 -10.393 1.00 27.41 C +ATOM 11485 N LYS D 360 31.857 -22.570 -7.209 1.00 33.44 N +ATOM 11486 CA LYS D 360 32.667 -23.767 -7.019 1.00 30.79 C +ATOM 11487 C LYS D 360 32.018 -24.819 -7.901 1.00 24.83 C +ATOM 11488 O LYS D 360 30.803 -24.993 -7.840 1.00 28.60 O +ATOM 11489 CB LYS D 360 32.623 -24.208 -5.547 1.00 31.85 C +ATOM 11490 CG LYS D 360 33.504 -25.420 -5.193 1.00 38.28 C +ATOM 11491 CD LYS D 360 34.932 -25.051 -4.765 1.00 42.32 C +ATOM 11492 CE LYS D 360 35.752 -24.413 -5.886 1.00 54.72 C +ATOM 11493 NZ LYS D 360 37.141 -24.051 -5.450 1.00 66.98 N +ATOM 11494 H LYS D 360 31.303 -22.255 -6.469 1.00 15.00 H +ATOM 11495 HZ1 LYS D 360 37.632 -24.911 -5.129 1.00 15.00 H +ATOM 11496 HZ2 LYS D 360 37.660 -23.636 -6.250 1.00 15.00 H +ATOM 11497 HZ3 LYS D 360 37.098 -23.364 -4.672 1.00 15.00 H +ATOM 11498 N GLY D 361 32.794 -25.481 -8.750 1.00 11.76 N +ATOM 11499 CA GLY D 361 32.194 -26.485 -9.605 1.00 19.80 C +ATOM 11500 C GLY D 361 33.154 -27.552 -10.069 1.00 22.39 C +ATOM 11501 O GLY D 361 34.353 -27.290 -10.213 1.00 27.94 O +ATOM 11502 H GLY D 361 33.753 -25.300 -8.833 1.00 15.00 H +ATOM 11503 N SER D 363 32.624 -28.750 -10.301 1.00 8.09 N +ATOM 11504 CA SER D 363 33.416 -29.883 -10.757 1.00 6.79 C +ATOM 11505 C SER D 363 34.051 -29.487 -12.062 1.00 9.91 C +ATOM 11506 O SER D 363 33.575 -28.557 -12.700 1.00 23.26 O +ATOM 11507 CB SER D 363 32.490 -31.052 -11.024 1.00 13.44 C +ATOM 11508 OG SER D 363 31.243 -30.874 -10.362 1.00 43.02 O +ATOM 11509 H SER D 363 31.661 -28.899 -10.192 1.00 15.00 H +ATOM 11510 HG SER D 363 30.638 -31.579 -10.615 1.00 15.00 H +ATOM 11511 N VAL D 364 35.150 -30.115 -12.457 1.00 5.55 N +ATOM 11512 CA VAL D 364 35.718 -29.755 -13.753 1.00 4.40 C +ATOM 11513 C VAL D 364 36.128 -30.980 -14.526 1.00 11.46 C +ATOM 11514 O VAL D 364 36.570 -31.974 -13.947 1.00 17.82 O +ATOM 11515 CB VAL D 364 36.915 -28.763 -13.698 1.00 2.00 C +ATOM 11516 CG1 VAL D 364 36.740 -27.753 -12.607 1.00 2.00 C +ATOM 11517 CG2 VAL D 364 38.222 -29.486 -13.575 1.00 3.17 C +ATOM 11518 H VAL D 364 35.570 -30.810 -11.914 1.00 15.00 H +ATOM 11519 N ARG D 365 35.888 -30.931 -15.828 1.00 8.25 N +ATOM 11520 CA ARG D 365 36.262 -32.007 -16.723 1.00 4.53 C +ATOM 11521 C ARG D 365 36.804 -31.343 -17.955 1.00 13.20 C +ATOM 11522 O ARG D 365 36.396 -30.241 -18.315 1.00 24.08 O +ATOM 11523 CB ARG D 365 35.090 -32.905 -17.073 1.00 2.00 C +ATOM 11524 CG ARG D 365 34.668 -33.787 -15.940 1.00 2.00 C +ATOM 11525 CD ARG D 365 33.587 -34.756 -16.377 1.00 27.80 C +ATOM 11526 NE ARG D 365 34.033 -35.662 -17.435 1.00 51.01 N +ATOM 11527 CZ ARG D 365 33.396 -36.781 -17.779 1.00 65.85 C +ATOM 11528 NH1 ARG D 365 32.279 -37.138 -17.146 1.00 65.20 N +ATOM 11529 NH2 ARG D 365 33.879 -37.549 -18.750 1.00 69.70 N +ATOM 11530 H ARG D 365 35.487 -30.127 -16.214 1.00 15.00 H +ATOM 11531 HE ARG D 365 34.844 -35.434 -17.934 1.00 15.00 H +ATOM 11532 HH11 ARG D 365 31.925 -36.563 -16.409 1.00 15.00 H +ATOM 11533 HH12 ARG D 365 31.801 -37.979 -17.397 1.00 15.00 H +ATOM 11534 HH21 ARG D 365 34.720 -37.284 -19.223 1.00 15.00 H +ATOM 11535 HH22 ARG D 365 33.404 -38.388 -19.007 1.00 15.00 H +ATOM 11536 N ALA D 366 37.780 -31.986 -18.561 1.00 16.25 N +ATOM 11537 CA ALA D 366 38.414 -31.459 -19.745 1.00 5.75 C +ATOM 11538 C ALA D 366 37.602 -31.836 -20.962 1.00 10.20 C +ATOM 11539 O ALA D 366 37.197 -32.991 -21.130 1.00 9.52 O +ATOM 11540 CB ALA D 366 39.829 -32.000 -19.865 1.00 12.65 C +ATOM 11541 H ALA D 366 38.072 -32.858 -18.227 1.00 15.00 H +ATOM 11542 N PRO D 367 37.367 -30.856 -21.838 1.00 9.75 N +ATOM 11543 CA PRO D 367 36.605 -31.040 -23.057 1.00 2.62 C +ATOM 11544 C PRO D 367 37.310 -31.925 -24.046 1.00 8.47 C +ATOM 11545 O PRO D 367 38.462 -31.671 -24.406 1.00 8.81 O +ATOM 11546 CB PRO D 367 36.497 -29.619 -23.588 1.00 7.55 C +ATOM 11547 CG PRO D 367 37.747 -28.996 -23.131 1.00 13.37 C +ATOM 11548 CD PRO D 367 37.795 -29.455 -21.713 1.00 16.68 C +ATOM 11549 N GLN D 368 36.637 -33.003 -24.433 1.00 10.05 N +ATOM 11550 CA GLN D 368 37.169 -33.897 -25.440 1.00 14.75 C +ATOM 11551 C GLN D 368 36.699 -33.240 -26.732 1.00 15.01 C +ATOM 11552 O GLN D 368 35.516 -33.261 -27.053 1.00 30.63 O +ATOM 11553 CB GLN D 368 36.580 -35.296 -25.292 1.00 20.46 C +ATOM 11554 CG GLN D 368 36.846 -35.923 -23.941 1.00 39.97 C +ATOM 11555 CD GLN D 368 38.321 -35.901 -23.552 1.00 51.48 C +ATOM 11556 OE1 GLN D 368 38.656 -35.766 -22.377 1.00 57.59 O +ATOM 11557 NE2 GLN D 368 39.206 -36.051 -24.535 1.00 50.72 N +ATOM 11558 H GLN D 368 35.771 -33.178 -24.000 1.00 15.00 H +ATOM 11559 HE21 GLN D 368 40.141 -36.014 -24.251 1.00 15.00 H +ATOM 11560 HE22 GLN D 368 38.916 -36.184 -25.458 1.00 15.00 H +ATOM 11561 N VAL D 369 37.612 -32.524 -27.369 1.00 15.76 N +ATOM 11562 CA VAL D 369 37.377 -31.804 -28.620 1.00 16.67 C +ATOM 11563 C VAL D 369 37.797 -32.618 -29.871 1.00 16.01 C +ATOM 11564 O VAL D 369 38.918 -33.107 -29.946 1.00 16.62 O +ATOM 11565 CB VAL D 369 38.147 -30.453 -28.585 1.00 15.84 C +ATOM 11566 CG1 VAL D 369 39.600 -30.688 -28.242 1.00 35.21 C +ATOM 11567 CG2 VAL D 369 38.054 -29.730 -29.904 1.00 21.22 C +ATOM 11568 H VAL D 369 38.498 -32.481 -26.960 1.00 15.00 H +ATOM 11569 N TYR D 370 36.873 -32.773 -30.821 1.00 14.81 N +ATOM 11570 CA TYR D 370 37.080 -33.499 -32.077 1.00 12.80 C +ATOM 11571 C TYR D 370 36.682 -32.584 -33.232 1.00 19.34 C +ATOM 11572 O TYR D 370 35.848 -31.693 -33.062 1.00 20.63 O +ATOM 11573 CB TYR D 370 36.131 -34.696 -32.158 1.00 7.16 C +ATOM 11574 CG TYR D 370 36.044 -35.564 -30.926 1.00 17.95 C +ATOM 11575 CD1 TYR D 370 35.235 -35.204 -29.861 1.00 12.39 C +ATOM 11576 CD2 TYR D 370 36.762 -36.755 -30.832 1.00 26.50 C +ATOM 11577 CE1 TYR D 370 35.139 -36.004 -28.723 1.00 23.81 C +ATOM 11578 CE2 TYR D 370 36.674 -37.569 -29.695 1.00 29.01 C +ATOM 11579 CZ TYR D 370 35.861 -37.185 -28.644 1.00 26.62 C +ATOM 11580 OH TYR D 370 35.765 -37.967 -27.513 1.00 33.47 O +ATOM 11581 H TYR D 370 36.000 -32.346 -30.680 1.00 15.00 H +ATOM 11582 HH TYR D 370 35.123 -37.572 -26.912 1.00 15.00 H +ATOM 11583 N VAL D 371 37.246 -32.808 -34.412 1.00 20.23 N +ATOM 11584 CA VAL D 371 36.859 -32.017 -35.576 1.00 21.38 C +ATOM 11585 C VAL D 371 36.364 -32.981 -36.640 1.00 25.20 C +ATOM 11586 O VAL D 371 37.041 -33.968 -36.963 1.00 31.38 O +ATOM 11587 CB VAL D 371 37.990 -31.118 -36.096 1.00 19.73 C +ATOM 11588 CG1 VAL D 371 38.245 -29.991 -35.105 1.00 19.77 C +ATOM 11589 CG2 VAL D 371 39.248 -31.920 -36.332 1.00 29.30 C +ATOM 11590 H VAL D 371 37.911 -33.518 -34.534 1.00 15.00 H +ATOM 11591 N LEU D 372 35.134 -32.763 -37.099 1.00 24.49 N +ATOM 11592 CA LEU D 372 34.542 -33.639 -38.101 1.00 23.51 C +ATOM 11593 C LEU D 372 34.558 -32.987 -39.475 1.00 23.42 C +ATOM 11594 O LEU D 372 34.373 -31.773 -39.603 1.00 24.41 O +ATOM 11595 CB LEU D 372 33.119 -34.039 -37.707 1.00 12.70 C +ATOM 11596 CG LEU D 372 32.897 -34.629 -36.313 1.00 3.50 C +ATOM 11597 CD1 LEU D 372 32.824 -33.518 -35.311 1.00 9.91 C +ATOM 11598 CD2 LEU D 372 31.605 -35.415 -36.253 1.00 13.67 C +ATOM 11599 H LEU D 372 34.637 -32.008 -36.777 1.00 15.00 H +ATOM 11600 N PRO D 373 34.869 -33.777 -40.512 1.00 20.39 N +ATOM 11601 CA PRO D 373 34.932 -33.339 -41.905 1.00 28.43 C +ATOM 11602 C PRO D 373 33.543 -33.248 -42.496 1.00 46.63 C +ATOM 11603 O PRO D 373 32.627 -33.953 -42.050 1.00 55.70 O +ATOM 11604 CB PRO D 373 35.667 -34.488 -42.575 1.00 19.20 C +ATOM 11605 CG PRO D 373 35.157 -35.667 -41.819 1.00 20.95 C +ATOM 11606 CD PRO D 373 35.278 -35.186 -40.394 1.00 16.98 C +ATOM 11607 N PRO D 374 33.369 -32.401 -43.526 1.00 56.86 N +ATOM 11608 CA PRO D 374 32.057 -32.269 -44.156 1.00 58.16 C +ATOM 11609 C PRO D 374 31.663 -33.637 -44.712 1.00 60.65 C +ATOM 11610 O PRO D 374 32.512 -34.387 -45.213 1.00 56.92 O +ATOM 11611 CB PRO D 374 32.312 -31.238 -45.259 1.00 60.10 C +ATOM 11612 CG PRO D 374 33.758 -31.416 -45.575 1.00 58.02 C +ATOM 11613 CD PRO D 374 34.363 -31.560 -44.211 1.00 61.47 C +ATOM 11614 N PRO D 375 30.382 -34.006 -44.564 1.00 66.08 N +ATOM 11615 CA PRO D 375 29.865 -35.291 -45.042 1.00 69.09 C +ATOM 11616 C PRO D 375 30.100 -35.469 -46.531 1.00 72.14 C +ATOM 11617 O PRO D 375 29.896 -34.543 -47.311 1.00 75.26 O +ATOM 11618 CB PRO D 375 28.376 -35.203 -44.706 1.00 65.17 C +ATOM 11619 CG PRO D 375 28.102 -33.726 -44.737 1.00 59.08 C +ATOM 11620 CD PRO D 375 29.294 -33.167 -44.034 1.00 61.51 C +ATOM 11621 N GLU D 377 30.521 -36.668 -46.917 1.00 78.41 N +ATOM 11622 CA GLU D 377 30.809 -36.995 -48.314 1.00 84.16 C +ATOM 11623 C GLU D 377 29.700 -36.555 -49.283 1.00 77.99 C +ATOM 11624 O GLU D 377 29.977 -36.046 -50.373 1.00 70.63 O +ATOM 11625 CB GLU D 377 31.091 -38.504 -48.462 1.00 95.27 C +ATOM 11626 CG GLU D 377 32.321 -39.039 -47.688 1.00108.25 C +ATOM 11627 CD GLU D 377 32.039 -39.365 -46.214 1.00120.14 C +ATOM 11628 OE1 GLU D 377 31.340 -40.370 -45.942 1.00121.61 O +ATOM 11629 OE2 GLU D 377 32.536 -38.630 -45.327 1.00126.58 O +ATOM 11630 H GLU D 377 30.668 -37.333 -46.216 1.00 15.00 H +ATOM 11631 N GLU D 378 28.451 -36.693 -48.846 1.00 74.67 N +ATOM 11632 CA GLU D 378 27.285 -36.325 -49.647 1.00 68.15 C +ATOM 11633 C GLU D 378 27.076 -34.813 -49.672 1.00 61.19 C +ATOM 11634 O GLU D 378 25.940 -34.344 -49.656 1.00 59.74 O +ATOM 11635 CB GLU D 378 26.030 -36.999 -49.076 1.00 68.66 C +ATOM 11636 CG GLU D 378 26.101 -38.522 -49.021 1.00 80.75 C +ATOM 11637 CD GLU D 378 24.919 -39.151 -48.291 1.00 88.61 C +ATOM 11638 OE1 GLU D 378 24.588 -38.675 -47.179 1.00 90.71 O +ATOM 11639 OE2 GLU D 378 24.333 -40.126 -48.826 1.00 88.23 O +ATOM 11640 H GLU D 378 28.306 -37.041 -47.946 1.00 15.00 H +ATOM 11641 N GLU D 379 28.169 -34.059 -49.693 1.00 55.71 N +ATOM 11642 CA GLU D 379 28.106 -32.605 -49.708 1.00 58.17 C +ATOM 11643 C GLU D 379 29.299 -32.063 -50.478 1.00 63.11 C +ATOM 11644 O GLU D 379 29.473 -30.853 -50.602 1.00 61.05 O +ATOM 11645 CB GLU D 379 28.127 -32.059 -48.277 1.00 55.90 C +ATOM 11646 CG GLU D 379 27.749 -30.590 -48.162 1.00 57.14 C +ATOM 11647 CD GLU D 379 28.025 -29.991 -46.790 1.00 58.45 C +ATOM 11648 OE1 GLU D 379 28.362 -30.739 -45.848 1.00 62.30 O +ATOM 11649 OE2 GLU D 379 27.908 -28.755 -46.660 1.00 52.67 O +ATOM 11650 H GLU D 379 29.056 -34.453 -49.669 1.00 15.00 H +ATOM 11651 N MET D 381 30.111 -32.966 -51.017 1.00 74.69 N +ATOM 11652 CA MET D 381 31.289 -32.578 -51.784 1.00 88.20 C +ATOM 11653 C MET D 381 30.899 -32.212 -53.221 1.00 95.36 C +ATOM 11654 O MET D 381 31.540 -32.656 -54.181 1.00 96.57 O +ATOM 11655 CB MET D 381 32.304 -33.725 -51.797 1.00 93.24 C +ATOM 11656 CG MET D 381 32.768 -34.177 -50.419 1.00 98.50 C +ATOM 11657 SD MET D 381 33.876 -33.016 -49.600 1.00 98.85 S +ATOM 11658 CE MET D 381 34.645 -34.117 -48.353 1.00101.97 C +ATOM 11659 H MET D 381 29.932 -33.924 -50.921 1.00 15.00 H +ATOM 11660 N THR D 382 29.844 -31.407 -53.358 1.00101.66 N +ATOM 11661 CA THR D 382 29.338 -30.971 -54.661 1.00103.46 C +ATOM 11662 C THR D 382 29.167 -29.460 -54.663 1.00100.69 C +ATOM 11663 O THR D 382 29.629 -28.769 -55.570 1.00106.84 O +ATOM 11664 CB THR D 382 27.946 -31.572 -54.981 1.00105.94 C +ATOM 11665 OG1 THR D 382 26.980 -31.095 -54.032 1.00107.23 O +ATOM 11666 CG2 THR D 382 27.989 -33.091 -54.943 1.00113.11 C +ATOM 11667 H THR D 382 29.403 -31.036 -52.570 1.00 15.00 H +ATOM 11668 HG1 THR D 382 26.118 -31.468 -54.253 1.00 15.00 H +ATOM 11669 N LYS D 383 28.464 -28.964 -53.653 1.00 92.52 N +ATOM 11670 CA LYS D 383 28.203 -27.543 -53.513 1.00 85.88 C +ATOM 11671 C LYS D 383 29.523 -26.782 -53.421 1.00 76.51 C +ATOM 11672 O LYS D 383 30.579 -27.378 -53.235 1.00 71.25 O +ATOM 11673 CB LYS D 383 27.355 -27.304 -52.263 1.00 96.38 C +ATOM 11674 CG LYS D 383 26.724 -25.923 -52.161 1.00108.60 C +ATOM 11675 CD LYS D 383 25.898 -25.802 -50.881 1.00117.33 C +ATOM 11676 CE LYS D 383 25.191 -24.455 -50.777 1.00120.38 C +ATOM 11677 NZ LYS D 383 24.196 -24.249 -51.867 1.00121.51 N +ATOM 11678 H LYS D 383 28.119 -29.583 -52.982 1.00 15.00 H +ATOM 11679 HZ1 LYS D 383 23.498 -25.019 -51.837 1.00 15.00 H +ATOM 11680 HZ2 LYS D 383 23.717 -23.336 -51.734 1.00 15.00 H +ATOM 11681 HZ3 LYS D 383 24.684 -24.258 -52.785 1.00 15.00 H +ATOM 11682 N LYS D 384 29.460 -25.468 -53.589 1.00 72.93 N +ATOM 11683 CA LYS D 384 30.652 -24.623 -53.518 1.00 76.14 C +ATOM 11684 C LYS D 384 31.193 -24.497 -52.098 1.00 70.31 C +ATOM 11685 O LYS D 384 32.398 -24.366 -51.890 1.00 68.79 O +ATOM 11686 CB LYS D 384 30.355 -23.222 -54.078 1.00 84.37 C +ATOM 11687 CG LYS D 384 29.095 -22.542 -53.519 1.00 88.15 C +ATOM 11688 CD LYS D 384 29.003 -21.080 -53.969 1.00 87.81 C +ATOM 11689 CE LYS D 384 27.604 -20.490 -53.763 1.00 87.88 C +ATOM 11690 NZ LYS D 384 27.157 -20.454 -52.345 1.00 84.32 N +ATOM 11691 H LYS D 384 28.596 -25.066 -53.789 1.00 15.00 H +ATOM 11692 HZ1 LYS D 384 27.816 -19.878 -51.787 1.00 15.00 H +ATOM 11693 HZ2 LYS D 384 26.204 -20.041 -52.291 1.00 15.00 H +ATOM 11694 HZ3 LYS D 384 27.133 -21.424 -51.970 1.00 15.00 H +ATOM 11695 N GLN D 385 30.286 -24.481 -51.130 1.00 63.23 N +ATOM 11696 CA GLN D 385 30.657 -24.371 -49.733 1.00 56.71 C +ATOM 11697 C GLN D 385 30.572 -25.731 -49.074 1.00 55.28 C +ATOM 11698 O GLN D 385 29.801 -26.589 -49.502 1.00 55.14 O +ATOM 11699 CB GLN D 385 29.733 -23.405 -49.001 1.00 60.02 C +ATOM 11700 CG GLN D 385 30.216 -21.972 -48.974 1.00 76.90 C +ATOM 11701 CD GLN D 385 30.097 -21.282 -50.315 1.00 89.93 C +ATOM 11702 OE1 GLN D 385 30.841 -21.580 -51.246 1.00 94.35 O +ATOM 11703 NE2 GLN D 385 29.162 -20.345 -50.417 1.00 94.55 N +ATOM 11704 H GLN D 385 29.348 -24.588 -51.357 1.00 15.00 H +ATOM 11705 HE21 GLN D 385 29.095 -19.892 -51.282 1.00 15.00 H +ATOM 11706 HE22 GLN D 385 28.602 -20.148 -49.641 1.00 15.00 H +ATOM 11707 N VAL D 386 31.352 -25.908 -48.014 1.00 55.02 N +ATOM 11708 CA VAL D 386 31.391 -27.147 -47.240 1.00 44.03 C +ATOM 11709 C VAL D 386 31.274 -26.794 -45.755 1.00 41.46 C +ATOM 11710 O VAL D 386 31.512 -25.636 -45.356 1.00 34.96 O +ATOM 11711 CB VAL D 386 32.682 -27.905 -47.489 1.00 42.01 C +ATOM 11712 CG1 VAL D 386 32.620 -28.598 -48.849 1.00 48.59 C +ATOM 11713 CG2 VAL D 386 33.852 -26.940 -47.429 1.00 32.32 C +ATOM 11714 H VAL D 386 31.891 -25.171 -47.686 1.00 15.00 H +ATOM 11715 N THR D 387 30.945 -27.783 -44.931 1.00 31.05 N +ATOM 11716 CA THR D 387 30.759 -27.505 -43.528 1.00 23.85 C +ATOM 11717 C THR D 387 31.595 -28.278 -42.543 1.00 22.00 C +ATOM 11718 O THR D 387 31.414 -29.477 -42.325 1.00 22.52 O +ATOM 11719 CB THR D 387 29.291 -27.604 -43.173 1.00 31.83 C +ATOM 11720 OG1 THR D 387 28.540 -27.757 -44.384 1.00 25.62 O +ATOM 11721 CG2 THR D 387 28.833 -26.325 -42.479 1.00 32.34 C +ATOM 11722 H THR D 387 30.784 -28.686 -45.262 1.00 15.00 H +ATOM 11723 HG1 THR D 387 27.605 -27.601 -44.225 1.00 15.00 H +ATOM 11724 N LEU D 388 32.535 -27.554 -41.962 1.00 22.62 N +ATOM 11725 CA LEU D 388 33.434 -28.087 -40.965 1.00 28.09 C +ATOM 11726 C LEU D 388 32.695 -28.031 -39.644 1.00 29.63 C +ATOM 11727 O LEU D 388 32.072 -27.021 -39.309 1.00 34.72 O +ATOM 11728 CB LEU D 388 34.696 -27.222 -40.900 1.00 26.97 C +ATOM 11729 CG LEU D 388 35.848 -27.621 -41.827 1.00 16.94 C +ATOM 11730 CD1 LEU D 388 35.396 -28.572 -42.931 1.00 5.21 C +ATOM 11731 CD2 LEU D 388 36.464 -26.363 -42.406 1.00 20.63 C +ATOM 11732 H LEU D 388 32.626 -26.632 -42.239 1.00 15.00 H +ATOM 11733 N THR D 389 32.763 -29.124 -38.900 1.00 28.64 N +ATOM 11734 CA THR D 389 32.094 -29.205 -37.621 1.00 21.84 C +ATOM 11735 C THR D 389 33.064 -29.511 -36.494 1.00 17.90 C +ATOM 11736 O THR D 389 33.861 -30.454 -36.598 1.00 14.62 O +ATOM 11737 CB THR D 389 31.059 -30.320 -37.653 1.00 26.62 C +ATOM 11738 OG1 THR D 389 30.216 -30.164 -38.802 1.00 42.40 O +ATOM 11739 CG2 THR D 389 30.224 -30.302 -36.396 1.00 35.89 C +ATOM 11740 H THR D 389 33.288 -29.898 -39.196 1.00 15.00 H +ATOM 11741 HG1 THR D 389 30.698 -30.385 -39.610 1.00 15.00 H +ATOM 11742 N CYS D 390 33.033 -28.690 -35.449 1.00 10.43 N +ATOM 11743 CA CYS D 390 33.877 -28.922 -34.280 1.00 14.59 C +ATOM 11744 C CYS D 390 32.995 -29.409 -33.133 1.00 16.68 C +ATOM 11745 O CYS D 390 32.099 -28.677 -32.689 1.00 16.05 O +ATOM 11746 CB CYS D 390 34.591 -27.653 -33.839 1.00 9.92 C +ATOM 11747 SG CYS D 390 35.801 -28.028 -32.542 1.00 17.83 S +ATOM 11748 H CYS D 390 32.446 -27.907 -35.462 1.00 15.00 H +ATOM 11749 N MET D 391 33.246 -30.627 -32.656 1.00 9.94 N +ATOM 11750 CA MET D 391 32.451 -31.197 -31.572 1.00 14.64 C +ATOM 11751 C MET D 391 33.149 -31.124 -30.228 1.00 14.62 C +ATOM 11752 O MET D 391 34.265 -31.597 -30.085 1.00 15.96 O +ATOM 11753 CB MET D 391 32.094 -32.652 -31.879 1.00 9.18 C +ATOM 11754 CG MET D 391 31.129 -33.275 -30.874 1.00 2.60 C +ATOM 11755 SD MET D 391 30.465 -34.858 -31.423 1.00 21.11 S +ATOM 11756 CE MET D 391 31.955 -35.703 -31.956 1.00 4.68 C +ATOM 11757 H MET D 391 34.014 -31.125 -33.001 1.00 15.00 H +ATOM 11758 N VAL D 392 32.488 -30.549 -29.236 1.00 15.67 N +ATOM 11759 CA VAL D 392 33.087 -30.453 -27.916 1.00 9.02 C +ATOM 11760 C VAL D 392 32.210 -31.185 -26.915 1.00 12.36 C +ATOM 11761 O VAL D 392 31.039 -30.864 -26.743 1.00 9.48 O +ATOM 11762 CB VAL D 392 33.258 -29.021 -27.501 1.00 2.00 C +ATOM 11763 CG1 VAL D 392 34.002 -28.958 -26.225 1.00 11.53 C +ATOM 11764 CG2 VAL D 392 34.008 -28.290 -28.536 1.00 2.00 C +ATOM 11765 H VAL D 392 31.603 -30.178 -29.391 1.00 15.00 H +ATOM 11766 N THR D 393 32.779 -32.168 -26.236 1.00 13.55 N +ATOM 11767 CA THR D 393 31.998 -32.945 -25.291 1.00 14.42 C +ATOM 11768 C THR D 393 32.606 -33.100 -23.920 1.00 14.80 C +ATOM 11769 O THR D 393 33.731 -32.677 -23.677 1.00 16.21 O +ATOM 11770 CB THR D 393 31.773 -34.350 -25.830 1.00 18.73 C +ATOM 11771 OG1 THR D 393 33.032 -34.939 -26.188 1.00 13.51 O +ATOM 11772 CG2 THR D 393 30.902 -34.293 -27.049 1.00 34.86 C +ATOM 11773 H THR D 393 33.735 -32.367 -26.333 1.00 15.00 H +ATOM 11774 HG1 THR D 393 33.434 -34.416 -26.895 1.00 15.00 H +ATOM 11775 N ASP D 394 31.837 -33.711 -23.029 1.00 19.40 N +ATOM 11776 CA ASP D 394 32.273 -33.994 -21.666 1.00 27.91 C +ATOM 11777 C ASP D 394 33.053 -32.927 -20.928 1.00 22.45 C +ATOM 11778 O ASP D 394 34.115 -33.215 -20.384 1.00 25.60 O +ATOM 11779 CB ASP D 394 33.110 -35.263 -21.648 1.00 38.75 C +ATOM 11780 CG ASP D 394 32.317 -36.479 -21.999 1.00 63.55 C +ATOM 11781 OD1 ASP D 394 31.360 -36.364 -22.801 1.00 70.40 O +ATOM 11782 OD2 ASP D 394 32.655 -37.554 -21.462 1.00 80.68 O +ATOM 11783 H ASP D 394 30.939 -33.987 -23.291 1.00 15.00 H +ATOM 11784 N PHE D 395 32.543 -31.712 -20.854 1.00 2.34 N +ATOM 11785 CA PHE D 395 33.300 -30.721 -20.136 1.00 2.00 C +ATOM 11786 C PHE D 395 32.534 -30.073 -18.997 1.00 6.58 C +ATOM 11787 O PHE D 395 31.312 -30.063 -18.985 1.00 8.44 O +ATOM 11788 CB PHE D 395 33.871 -29.675 -21.103 1.00 15.84 C +ATOM 11789 CG PHE D 395 32.832 -28.855 -21.819 1.00 16.72 C +ATOM 11790 CD1 PHE D 395 32.202 -27.782 -21.178 1.00 17.14 C +ATOM 11791 CD2 PHE D 395 32.511 -29.131 -23.142 1.00 15.94 C +ATOM 11792 CE1 PHE D 395 31.269 -26.998 -21.841 1.00 4.88 C +ATOM 11793 CE2 PHE D 395 31.588 -28.362 -23.816 1.00 12.17 C +ATOM 11794 CZ PHE D 395 30.962 -27.287 -23.161 1.00 20.58 C +ATOM 11795 H PHE D 395 31.699 -31.466 -21.280 1.00 15.00 H +ATOM 11796 N MET D 396 33.263 -29.566 -18.016 1.00 11.95 N +ATOM 11797 CA MET D 396 32.677 -28.903 -16.862 1.00 10.25 C +ATOM 11798 C MET D 396 33.758 -27.941 -16.377 1.00 12.01 C +ATOM 11799 O MET D 396 34.953 -28.254 -16.461 1.00 3.06 O +ATOM 11800 CB MET D 396 32.370 -29.916 -15.752 1.00 22.05 C +ATOM 11801 CG MET D 396 31.386 -31.029 -16.101 1.00 31.25 C +ATOM 11802 SD MET D 396 31.375 -32.432 -14.913 1.00 37.86 S +ATOM 11803 CE MET D 396 30.336 -31.722 -13.639 1.00 33.41 C +ATOM 11804 H MET D 396 34.239 -29.667 -18.047 1.00 15.00 H +ATOM 11805 N PRO D 397 33.371 -26.716 -15.993 1.00 8.39 N +ATOM 11806 CA PRO D 397 31.996 -26.209 -16.002 1.00 17.77 C +ATOM 11807 C PRO D 397 31.529 -25.863 -17.420 1.00 25.29 C +ATOM 11808 O PRO D 397 32.265 -26.047 -18.387 1.00 33.18 O +ATOM 11809 CB PRO D 397 32.098 -24.951 -15.141 1.00 12.97 C +ATOM 11810 CG PRO D 397 33.446 -24.447 -15.475 1.00 13.71 C +ATOM 11811 CD PRO D 397 34.284 -25.713 -15.419 1.00 12.46 C +ATOM 11812 N GLU D 398 30.300 -25.371 -17.524 1.00 27.19 N +ATOM 11813 CA GLU D 398 29.701 -24.992 -18.797 1.00 29.15 C +ATOM 11814 C GLU D 398 30.416 -23.830 -19.490 1.00 27.53 C +ATOM 11815 O GLU D 398 30.415 -23.755 -20.713 1.00 25.53 O +ATOM 11816 CB GLU D 398 28.224 -24.655 -18.580 1.00 42.10 C +ATOM 11817 CG GLU D 398 27.962 -23.731 -17.385 1.00 66.63 C +ATOM 11818 CD GLU D 398 26.484 -23.643 -16.991 1.00 84.94 C +ATOM 11819 OE1 GLU D 398 25.664 -23.139 -17.799 1.00 91.37 O +ATOM 11820 OE2 GLU D 398 26.147 -24.066 -15.859 1.00 88.96 O +ATOM 11821 H GLU D 398 29.774 -25.283 -16.707 1.00 15.00 H +ATOM 11822 N ASP D 399 31.019 -22.930 -18.707 1.00 21.74 N +ATOM 11823 CA ASP D 399 31.733 -21.769 -19.247 1.00 8.30 C +ATOM 11824 C ASP D 399 32.893 -22.198 -20.145 1.00 11.26 C +ATOM 11825 O ASP D 399 33.838 -22.849 -19.695 1.00 19.02 O +ATOM 11826 CB ASP D 399 32.274 -20.891 -18.115 1.00 8.17 C +ATOM 11827 CG ASP D 399 31.176 -20.190 -17.319 1.00 34.61 C +ATOM 11828 OD1 ASP D 399 30.626 -19.170 -17.808 1.00 36.08 O +ATOM 11829 OD2 ASP D 399 30.890 -20.637 -16.182 1.00 37.78 O +ATOM 11830 H ASP D 399 31.000 -23.060 -17.744 1.00 15.00 H +ATOM 11831 N ILE D 400 32.837 -21.801 -21.405 1.00 11.59 N +ATOM 11832 CA ILE D 400 33.874 -22.152 -22.364 1.00 7.43 C +ATOM 11833 C ILE D 400 33.903 -21.100 -23.463 1.00 10.91 C +ATOM 11834 O ILE D 400 33.071 -20.193 -23.490 1.00 8.74 O +ATOM 11835 CB ILE D 400 33.571 -23.515 -23.032 1.00 4.08 C +ATOM 11836 CG1 ILE D 400 34.794 -24.020 -23.824 1.00 7.84 C +ATOM 11837 CG2 ILE D 400 32.351 -23.374 -23.940 1.00 2.00 C +ATOM 11838 CD1 ILE D 400 34.731 -25.483 -24.269 1.00 2.00 C +ATOM 11839 H ILE D 400 32.091 -21.256 -21.733 1.00 15.00 H +ATOM 11840 N TYR D 401 34.880 -21.227 -24.352 1.00 11.27 N +ATOM 11841 CA TYR D 401 35.041 -20.345 -25.487 1.00 9.99 C +ATOM 11842 C TYR D 401 35.791 -21.095 -26.562 1.00 11.89 C +ATOM 11843 O TYR D 401 36.958 -21.421 -26.384 1.00 16.79 O +ATOM 11844 CB TYR D 401 35.855 -19.121 -25.132 1.00 3.54 C +ATOM 11845 CG TYR D 401 36.275 -18.335 -26.347 1.00 12.54 C +ATOM 11846 CD1 TYR D 401 37.359 -18.732 -27.135 1.00 25.89 C +ATOM 11847 CD2 TYR D 401 35.608 -17.183 -26.698 1.00 23.91 C +ATOM 11848 CE1 TYR D 401 37.760 -17.987 -28.240 1.00 27.88 C +ATOM 11849 CE2 TYR D 401 36.001 -16.434 -27.791 1.00 23.44 C +ATOM 11850 CZ TYR D 401 37.070 -16.833 -28.554 1.00 29.63 C +ATOM 11851 OH TYR D 401 37.431 -16.044 -29.615 1.00 42.96 O +ATOM 11852 H TYR D 401 35.596 -21.884 -24.228 1.00 15.00 H +ATOM 11853 HH TYR D 401 36.836 -15.292 -29.687 1.00 15.00 H +ATOM 11854 N VAL D 402 35.155 -21.260 -27.711 1.00 7.79 N +ATOM 11855 CA VAL D 402 35.760 -21.944 -28.832 1.00 9.58 C +ATOM 11856 C VAL D 402 35.658 -21.053 -30.055 1.00 16.94 C +ATOM 11857 O VAL D 402 34.683 -20.325 -30.203 1.00 25.58 O +ATOM 11858 CB VAL D 402 35.067 -23.296 -29.092 1.00 16.62 C +ATOM 11859 CG1 VAL D 402 33.602 -23.191 -28.739 1.00 9.06 C +ATOM 11860 CG2 VAL D 402 35.253 -23.740 -30.563 1.00 4.11 C +ATOM 11861 H VAL D 402 34.264 -20.878 -27.850 1.00 15.00 H +ATOM 11862 N GLU D 405 36.687 -21.084 -30.898 1.00 19.40 N +ATOM 11863 CA GLU D 405 36.729 -20.290 -32.121 1.00 13.16 C +ATOM 11864 C GLU D 405 37.437 -21.128 -33.168 1.00 12.91 C +ATOM 11865 O GLU D 405 37.969 -22.186 -32.842 1.00 27.51 O +ATOM 11866 CB GLU D 405 37.506 -18.997 -31.897 1.00 11.81 C +ATOM 11867 CG GLU D 405 38.999 -19.186 -31.735 1.00 16.37 C +ATOM 11868 CD GLU D 405 39.761 -17.876 -31.546 1.00 24.09 C +ATOM 11869 OE1 GLU D 405 39.262 -16.962 -30.870 1.00 15.65 O +ATOM 11870 OE2 GLU D 405 40.893 -17.766 -32.060 1.00 38.19 O +ATOM 11871 H GLU D 405 37.447 -21.677 -30.706 1.00 15.00 H +ATOM 11872 N TRP D 406 37.371 -20.712 -34.430 1.00 13.18 N +ATOM 11873 CA TRP D 406 38.055 -21.429 -35.514 1.00 10.17 C +ATOM 11874 C TRP D 406 39.203 -20.546 -35.955 1.00 12.97 C +ATOM 11875 O TRP D 406 39.120 -19.319 -35.862 1.00 12.30 O +ATOM 11876 CB TRP D 406 37.139 -21.701 -36.688 1.00 6.21 C +ATOM 11877 CG TRP D 406 36.206 -22.843 -36.484 1.00 9.85 C +ATOM 11878 CD1 TRP D 406 34.974 -22.799 -35.907 1.00 3.70 C +ATOM 11879 CD2 TRP D 406 36.425 -24.207 -36.868 1.00 3.78 C +ATOM 11880 NE1 TRP D 406 34.406 -24.053 -35.904 1.00 4.60 N +ATOM 11881 CE2 TRP D 406 35.278 -24.937 -36.486 1.00 13.18 C +ATOM 11882 CE3 TRP D 406 37.478 -24.883 -37.486 1.00 2.00 C +ATOM 11883 CZ2 TRP D 406 35.160 -26.319 -36.703 1.00 15.62 C +ATOM 11884 CZ3 TRP D 406 37.362 -26.261 -37.701 1.00 2.15 C +ATOM 11885 CH2 TRP D 406 36.212 -26.959 -37.308 1.00 10.05 C +ATOM 11886 H TRP D 406 36.898 -19.888 -34.656 1.00 15.00 H +ATOM 11887 HE1 TRP D 406 33.528 -24.260 -35.514 1.00 15.00 H +ATOM 11888 N THR D 407 40.269 -21.155 -36.446 1.00 21.24 N +ATOM 11889 CA THR D 407 41.441 -20.395 -36.836 1.00 26.98 C +ATOM 11890 C THR D 407 42.009 -20.944 -38.131 1.00 34.61 C +ATOM 11891 O THR D 407 41.909 -22.142 -38.401 1.00 31.56 O +ATOM 11892 CB THR D 407 42.500 -20.476 -35.710 1.00 31.79 C +ATOM 11893 OG1 THR D 407 43.579 -19.581 -35.984 1.00 50.27 O +ATOM 11894 CG2 THR D 407 43.051 -21.900 -35.575 1.00 29.00 C +ATOM 11895 H THR D 407 40.280 -22.125 -36.583 1.00 15.00 H +ATOM 11896 HG1 THR D 407 44.080 -19.421 -35.173 1.00 15.00 H +ATOM 11897 N ASN D 408 42.603 -20.063 -38.927 1.00 54.31 N +ATOM 11898 CA ASN D 408 43.197 -20.435 -40.208 1.00 71.66 C +ATOM 11899 C ASN D 408 44.600 -19.854 -40.295 1.00 82.19 C +ATOM 11900 O ASN D 408 44.766 -18.638 -40.368 1.00 76.26 O +ATOM 11901 CB ASN D 408 42.349 -19.889 -41.362 1.00 69.08 C +ATOM 11902 CG ASN D 408 42.952 -20.181 -42.719 1.00 65.18 C +ATOM 11903 OD1 ASN D 408 43.469 -21.274 -42.963 1.00 63.26 O +ATOM 11904 ND2 ASN D 408 42.899 -19.201 -43.609 1.00 62.57 N +ATOM 11905 H ASN D 408 42.670 -19.129 -38.632 1.00 15.00 H +ATOM 11906 HD21 ASN D 408 43.261 -19.404 -44.499 1.00 15.00 H +ATOM 11907 HD22 ASN D 408 42.497 -18.349 -43.350 1.00 15.00 H +ATOM 11908 N ASN D 410 45.606 -20.722 -40.259 1.00 99.24 N +ATOM 11909 CA ASN D 410 47.000 -20.288 -40.340 1.00119.17 C +ATOM 11910 C ASN D 410 47.345 -19.202 -39.315 1.00131.20 C +ATOM 11911 O ASN D 410 48.166 -18.325 -39.588 1.00135.47 O +ATOM 11912 CB ASN D 410 47.322 -19.770 -41.751 1.00123.47 C +ATOM 11913 CG ASN D 410 47.624 -20.883 -42.733 1.00127.49 C +ATOM 11914 OD1 ASN D 410 48.761 -21.344 -42.835 1.00130.22 O +ATOM 11915 ND2 ASN D 410 46.610 -21.314 -43.473 1.00132.60 N +ATOM 11916 H ASN D 410 45.365 -21.671 -40.180 1.00 15.00 H +ATOM 11917 HD21 ASN D 410 46.816 -22.005 -44.132 1.00 15.00 H +ATOM 11918 HD22 ASN D 410 45.710 -20.932 -43.361 1.00 15.00 H +ATOM 11919 N GLY D 411 46.704 -19.247 -38.149 1.00141.78 N +ATOM 11920 CA GLY D 411 46.976 -18.259 -37.117 1.00153.16 C +ATOM 11921 C GLY D 411 45.881 -17.225 -36.908 1.00161.24 C +ATOM 11922 O GLY D 411 45.495 -16.954 -35.768 1.00161.14 O +ATOM 11923 H GLY D 411 46.013 -19.916 -37.985 1.00 15.00 H +ATOM 11924 N LYS D 414 45.377 -16.648 -37.996 1.00167.48 N +ATOM 11925 CA LYS D 414 44.326 -15.632 -37.916 1.00171.20 C +ATOM 11926 C LYS D 414 42.969 -16.221 -37.513 1.00172.78 C +ATOM 11927 O LYS D 414 42.600 -17.313 -37.960 1.00176.01 O +ATOM 11928 CB LYS D 414 44.197 -14.881 -39.255 1.00170.69 C +ATOM 11929 CG LYS D 414 43.762 -15.747 -40.442 1.00171.65 C +ATOM 11930 CD LYS D 414 43.687 -14.959 -41.745 1.00169.20 C +ATOM 11931 CE LYS D 414 43.284 -15.859 -42.907 1.00166.48 C +ATOM 11932 NZ LYS D 414 43.258 -15.133 -44.207 1.00166.91 N +ATOM 11933 H LYS D 414 45.698 -16.938 -38.875 1.00 15.00 H +ATOM 11934 HZ1 LYS D 414 42.578 -14.348 -44.154 1.00 15.00 H +ATOM 11935 HZ2 LYS D 414 44.207 -14.757 -44.413 1.00 15.00 H +ATOM 11936 HZ3 LYS D 414 42.973 -15.785 -44.966 1.00 15.00 H +ATOM 11937 N THR D 415 42.251 -15.504 -36.646 1.00170.95 N +ATOM 11938 CA THR D 415 40.923 -15.914 -36.180 1.00165.10 C +ATOM 11939 C THR D 415 39.994 -15.959 -37.402 1.00156.87 C +ATOM 11940 O THR D 415 39.720 -14.925 -38.019 1.00157.72 O +ATOM 11941 CB THR D 415 40.354 -14.893 -35.144 1.00169.50 C +ATOM 11942 OG1 THR D 415 41.322 -14.655 -34.111 1.00172.07 O +ATOM 11943 CG2 THR D 415 39.066 -15.417 -34.512 1.00169.75 C +ATOM 11944 H THR D 415 42.609 -14.667 -36.289 1.00 15.00 H +ATOM 11945 HG1 THR D 415 41.473 -15.481 -33.641 1.00 15.00 H +ATOM 11946 N GLU D 416 39.542 -17.157 -37.759 1.00144.56 N +ATOM 11947 CA GLU D 416 38.670 -17.342 -38.915 1.00130.26 C +ATOM 11948 C GLU D 416 37.307 -16.689 -38.728 1.00121.58 C +ATOM 11949 O GLU D 416 36.826 -16.534 -37.608 1.00122.99 O +ATOM 11950 CB GLU D 416 38.507 -18.837 -39.216 1.00130.32 C +ATOM 11951 CG GLU D 416 37.563 -19.177 -40.365 1.00130.00 C +ATOM 11952 CD GLU D 416 37.994 -18.583 -41.691 1.00133.57 C +ATOM 11953 OE1 GLU D 416 39.149 -18.819 -42.109 1.00134.46 O +ATOM 11954 OE2 GLU D 416 37.171 -17.884 -42.320 1.00137.18 O +ATOM 11955 H GLU D 416 39.772 -17.925 -37.200 1.00 15.00 H +ATOM 11956 N LEU D 417 36.715 -16.257 -39.832 1.00109.33 N +ATOM 11957 CA LEU D 417 35.402 -15.637 -39.800 1.00 98.04 C +ATOM 11958 C LEU D 417 34.432 -16.689 -40.336 1.00 90.62 C +ATOM 11959 O LEU D 417 34.858 -17.724 -40.851 1.00 86.93 O +ATOM 11960 CB LEU D 417 35.397 -14.383 -40.679 1.00 97.41 C +ATOM 11961 CG LEU D 417 34.294 -13.343 -40.477 1.00 93.36 C +ATOM 11962 CD1 LEU D 417 34.220 -12.937 -39.012 1.00 89.55 C +ATOM 11963 CD2 LEU D 417 34.573 -12.133 -41.362 1.00 88.06 C +ATOM 11964 H LEU D 417 37.163 -16.379 -40.690 1.00 15.00 H +ATOM 11965 N ASN D 418 33.137 -16.453 -40.169 1.00 82.97 N +ATOM 11966 CA ASN D 418 32.121 -17.380 -40.658 1.00 79.39 C +ATOM 11967 C ASN D 418 31.992 -18.724 -39.952 1.00 65.22 C +ATOM 11968 O ASN D 418 31.872 -19.768 -40.598 1.00 66.41 O +ATOM 11969 CB ASN D 418 32.263 -17.601 -42.172 1.00 98.43 C +ATOM 11970 CG ASN D 418 31.509 -16.565 -42.986 1.00114.25 C +ATOM 11971 OD1 ASN D 418 31.346 -15.418 -42.559 1.00123.44 O +ATOM 11972 ND2 ASN D 418 31.028 -16.967 -44.160 1.00117.68 N +ATOM 11973 H ASN D 418 32.851 -15.636 -39.720 1.00 15.00 H +ATOM 11974 HD21 ASN D 418 30.525 -16.327 -44.696 1.00 15.00 H +ATOM 11975 HD22 ASN D 418 31.211 -17.894 -44.414 1.00 15.00 H +ATOM 11976 N TYR D 419 32.047 -18.705 -38.630 1.00 45.46 N +ATOM 11977 CA TYR D 419 31.857 -19.918 -37.859 1.00 27.29 C +ATOM 11978 C TYR D 419 30.766 -19.525 -36.899 1.00 22.39 C +ATOM 11979 O TYR D 419 30.665 -18.351 -36.538 1.00 25.70 O +ATOM 11980 CB TYR D 419 33.123 -20.344 -37.089 1.00 26.45 C +ATOM 11981 CG TYR D 419 33.703 -19.337 -36.108 1.00 4.82 C +ATOM 11982 CD1 TYR D 419 33.039 -18.993 -34.935 1.00 7.87 C +ATOM 11983 CD2 TYR D 419 34.913 -18.707 -36.373 1.00 6.81 C +ATOM 11984 CE1 TYR D 419 33.557 -18.041 -34.056 1.00 2.00 C +ATOM 11985 CE2 TYR D 419 35.449 -17.755 -35.498 1.00 2.48 C +ATOM 11986 CZ TYR D 419 34.765 -17.429 -34.349 1.00 6.57 C +ATOM 11987 OH TYR D 419 35.296 -16.479 -33.504 1.00 18.19 O +ATOM 11988 H TYR D 419 32.188 -17.869 -38.141 1.00 15.00 H +ATOM 11989 HH TYR D 419 34.765 -16.426 -32.709 1.00 15.00 H +ATOM 11990 N LYS D 420 29.898 -20.457 -36.545 1.00 16.80 N +ATOM 11991 CA LYS D 420 28.848 -20.145 -35.581 1.00 17.05 C +ATOM 11992 C LYS D 420 28.866 -21.181 -34.474 1.00 14.00 C +ATOM 11993 O LYS D 420 29.125 -22.371 -34.722 1.00 14.07 O +ATOM 11994 CB LYS D 420 27.473 -20.046 -36.236 1.00 14.33 C +ATOM 11995 CG LYS D 420 27.262 -18.750 -36.983 1.00 9.67 C +ATOM 11996 CD LYS D 420 27.182 -17.570 -36.045 1.00 10.12 C +ATOM 11997 CE LYS D 420 27.164 -16.264 -36.827 1.00 29.15 C +ATOM 11998 NZ LYS D 420 27.339 -15.063 -35.957 1.00 40.65 N +ATOM 11999 H LYS D 420 29.978 -21.366 -36.897 1.00 15.00 H +ATOM 12000 HZ1 LYS D 420 26.586 -15.018 -35.240 1.00 15.00 H +ATOM 12001 HZ2 LYS D 420 28.256 -15.140 -35.476 1.00 15.00 H +ATOM 12002 HZ3 LYS D 420 27.324 -14.198 -36.531 1.00 15.00 H +ATOM 12003 N ASN D 421 28.589 -20.727 -33.259 1.00 2.10 N +ATOM 12004 CA ASN D 421 28.638 -21.596 -32.097 1.00 8.29 C +ATOM 12005 C ASN D 421 27.323 -21.867 -31.449 1.00 9.69 C +ATOM 12006 O ASN D 421 26.613 -20.926 -31.098 1.00 10.12 O +ATOM 12007 CB ASN D 421 29.505 -20.961 -31.011 1.00 7.29 C +ATOM 12008 CG ASN D 421 30.980 -21.049 -31.307 1.00 9.81 C +ATOM 12009 OD1 ASN D 421 31.416 -21.866 -32.123 1.00 2.00 O +ATOM 12010 ND2 ASN D 421 31.768 -20.219 -30.623 1.00 6.35 N +ATOM 12011 H ASN D 421 28.308 -19.802 -33.127 1.00 15.00 H +ATOM 12012 HD21 ASN D 421 32.739 -20.269 -30.786 1.00 15.00 H +ATOM 12013 HD22 ASN D 421 31.353 -19.607 -29.983 1.00 15.00 H +ATOM 12014 N THR D 422 27.032 -23.143 -31.226 1.00 2.00 N +ATOM 12015 CA THR D 422 25.837 -23.526 -30.515 1.00 2.00 C +ATOM 12016 C THR D 422 26.049 -23.134 -29.056 1.00 2.00 C +ATOM 12017 O THR D 422 27.173 -22.872 -28.618 1.00 5.38 O +ATOM 12018 CB THR D 422 25.671 -25.027 -30.547 1.00 13.88 C +ATOM 12019 OG1 THR D 422 26.894 -25.628 -30.974 1.00 19.53 O +ATOM 12020 CG2 THR D 422 24.576 -25.420 -31.503 1.00 34.02 C +ATOM 12021 H THR D 422 27.644 -23.830 -31.567 1.00 15.00 H +ATOM 12022 HG1 THR D 422 27.628 -25.232 -30.480 1.00 15.00 H +ATOM 12023 N GLU D 423 24.965 -23.013 -28.317 1.00 5.07 N +ATOM 12024 CA GLU D 423 25.052 -22.700 -26.896 1.00 5.85 C +ATOM 12025 C GLU D 423 25.363 -24.083 -26.333 1.00 15.67 C +ATOM 12026 O GLU D 423 25.018 -25.093 -26.956 1.00 19.71 O +ATOM 12027 CB GLU D 423 23.701 -22.224 -26.380 1.00 14.95 C +ATOM 12028 CG GLU D 423 23.477 -20.746 -26.511 1.00 36.23 C +ATOM 12029 CD GLU D 423 24.332 -19.945 -25.556 1.00 48.37 C +ATOM 12030 OE1 GLU D 423 24.082 -20.017 -24.332 1.00 56.36 O +ATOM 12031 OE2 GLU D 423 25.248 -19.240 -26.028 1.00 51.83 O +ATOM 12032 H GLU D 423 24.090 -23.157 -28.724 1.00 15.00 H +ATOM 12033 N PRO D 424 26.002 -24.159 -25.159 1.00 11.43 N +ATOM 12034 CA PRO D 424 26.346 -25.451 -24.559 1.00 5.96 C +ATOM 12035 C PRO D 424 25.129 -26.142 -24.007 1.00 8.88 C +ATOM 12036 O PRO D 424 24.293 -25.518 -23.345 1.00 11.23 O +ATOM 12037 CB PRO D 424 27.287 -25.066 -23.421 1.00 6.42 C +ATOM 12038 CG PRO D 424 27.560 -23.578 -23.625 1.00 10.22 C +ATOM 12039 CD PRO D 424 26.314 -23.067 -24.235 1.00 2.94 C +ATOM 12040 N VAL D 425 25.039 -27.439 -24.238 1.00 6.49 N +ATOM 12041 CA VAL D 425 23.896 -28.186 -23.731 1.00 16.36 C +ATOM 12042 C VAL D 425 24.336 -29.225 -22.724 1.00 13.86 C +ATOM 12043 O VAL D 425 25.420 -29.796 -22.839 1.00 9.72 O +ATOM 12044 CB VAL D 425 23.130 -28.917 -24.834 1.00 10.25 C +ATOM 12045 CG1 VAL D 425 21.648 -28.605 -24.709 1.00 23.95 C +ATOM 12046 CG2 VAL D 425 23.669 -28.538 -26.193 1.00 19.63 C +ATOM 12047 H VAL D 425 25.743 -27.905 -24.732 1.00 15.00 H +ATOM 12048 N LEU D 426 23.472 -29.476 -21.749 1.00 15.46 N +ATOM 12049 CA LEU D 426 23.750 -30.444 -20.714 1.00 12.77 C +ATOM 12050 C LEU D 426 23.418 -31.848 -21.178 1.00 14.49 C +ATOM 12051 O LEU D 426 22.253 -32.186 -21.379 1.00 15.87 O +ATOM 12052 CB LEU D 426 22.978 -30.108 -19.450 1.00 9.56 C +ATOM 12053 CG LEU D 426 23.497 -30.842 -18.227 1.00 11.24 C +ATOM 12054 CD1 LEU D 426 23.683 -29.847 -17.118 1.00 13.79 C +ATOM 12055 CD2 LEU D 426 22.530 -31.933 -17.835 1.00 16.64 C +ATOM 12056 H LEU D 426 22.611 -29.013 -21.745 1.00 15.00 H +ATOM 12057 N ASP D 427 24.470 -32.636 -21.377 1.00 11.09 N +ATOM 12058 CA ASP D 427 24.385 -34.022 -21.804 1.00 6.86 C +ATOM 12059 C ASP D 427 23.787 -34.835 -20.663 1.00 13.07 C +ATOM 12060 O ASP D 427 23.612 -34.329 -19.559 1.00 9.69 O +ATOM 12061 CB ASP D 427 25.795 -34.532 -22.086 1.00 5.63 C +ATOM 12062 CG ASP D 427 25.833 -35.597 -23.149 1.00 7.26 C +ATOM 12063 OD1 ASP D 427 24.958 -36.488 -23.185 1.00 14.66 O +ATOM 12064 OD2 ASP D 427 26.770 -35.545 -23.960 1.00 15.53 O +ATOM 12065 H ASP D 427 25.344 -32.238 -21.222 1.00 15.00 H +ATOM 12066 N SER D 428 23.536 -36.112 -20.917 1.00 29.75 N +ATOM 12067 CA SER D 428 22.968 -37.010 -19.918 1.00 42.52 C +ATOM 12068 C SER D 428 23.796 -37.118 -18.640 1.00 47.00 C +ATOM 12069 O SER D 428 23.268 -36.938 -17.543 1.00 55.22 O +ATOM 12070 CB SER D 428 22.762 -38.404 -20.525 1.00 51.62 C +ATOM 12071 OG SER D 428 23.834 -38.756 -21.392 1.00 61.15 O +ATOM 12072 H SER D 428 23.663 -36.508 -21.786 1.00 15.00 H +ATOM 12073 HG SER D 428 23.649 -39.624 -21.773 1.00 15.00 H +ATOM 12074 N ASP D 430 25.097 -37.360 -18.788 1.00 42.13 N +ATOM 12075 CA ASP D 430 26.000 -37.520 -17.647 1.00 35.93 C +ATOM 12076 C ASP D 430 26.439 -36.253 -16.917 1.00 30.98 C +ATOM 12077 O ASP D 430 27.580 -36.166 -16.463 1.00 34.77 O +ATOM 12078 CB ASP D 430 27.246 -38.312 -18.067 1.00 49.78 C +ATOM 12079 CG ASP D 430 28.171 -37.520 -18.975 1.00 54.27 C +ATOM 12080 OD1 ASP D 430 27.697 -36.585 -19.656 1.00 58.81 O +ATOM 12081 OD2 ASP D 430 29.381 -37.831 -18.996 1.00 74.89 O +ATOM 12082 H ASP D 430 25.452 -37.435 -19.695 1.00 15.00 H +ATOM 12083 N GLY D 433 25.558 -35.271 -16.799 1.00 23.28 N +ATOM 12084 CA GLY D 433 25.930 -34.057 -16.101 1.00 11.92 C +ATOM 12085 C GLY D 433 26.970 -33.181 -16.780 1.00 14.46 C +ATOM 12086 O GLY D 433 27.215 -32.072 -16.304 1.00 18.39 O +ATOM 12087 H GLY D 433 24.649 -35.349 -17.169 1.00 15.00 H +ATOM 12088 N SER D 434 27.613 -33.665 -17.844 1.00 2.00 N +ATOM 12089 CA SER D 434 28.601 -32.859 -18.549 1.00 7.95 C +ATOM 12090 C SER D 434 27.925 -32.057 -19.677 1.00 14.29 C +ATOM 12091 O SER D 434 26.771 -32.315 -20.031 1.00 10.32 O +ATOM 12092 CB SER D 434 29.693 -33.746 -19.144 1.00 7.90 C +ATOM 12093 OG SER D 434 29.182 -34.531 -20.205 1.00 8.54 O +ATOM 12094 H SER D 434 27.455 -34.565 -18.175 1.00 15.00 H +ATOM 12095 HG SER D 434 28.721 -33.991 -20.857 1.00 15.00 H +ATOM 12096 N TYR D 435 28.662 -31.109 -20.250 1.00 11.74 N +ATOM 12097 CA TYR D 435 28.174 -30.285 -21.344 1.00 2.00 C +ATOM 12098 C TYR D 435 28.854 -30.592 -22.674 1.00 10.96 C +ATOM 12099 O TYR D 435 29.979 -31.106 -22.715 1.00 21.44 O +ATOM 12100 CB TYR D 435 28.412 -28.827 -21.024 1.00 2.00 C +ATOM 12101 CG TYR D 435 27.584 -28.320 -19.886 1.00 10.69 C +ATOM 12102 CD1 TYR D 435 28.041 -28.394 -18.579 1.00 11.99 C +ATOM 12103 CD2 TYR D 435 26.341 -27.757 -20.114 1.00 19.94 C +ATOM 12104 CE1 TYR D 435 27.277 -27.922 -17.525 1.00 18.89 C +ATOM 12105 CE2 TYR D 435 25.565 -27.279 -19.071 1.00 19.27 C +ATOM 12106 CZ TYR D 435 26.032 -27.365 -17.778 1.00 20.80 C +ATOM 12107 OH TYR D 435 25.234 -26.929 -16.738 1.00 23.68 O +ATOM 12108 H TYR D 435 29.573 -30.932 -19.919 1.00 15.00 H +ATOM 12109 HH TYR D 435 25.573 -27.276 -15.909 1.00 15.00 H +ATOM 12110 N PHE D 436 28.150 -30.316 -23.764 1.00 10.35 N +ATOM 12111 CA PHE D 436 28.706 -30.506 -25.089 1.00 13.08 C +ATOM 12112 C PHE D 436 28.257 -29.324 -25.905 1.00 17.53 C +ATOM 12113 O PHE D 436 27.385 -28.562 -25.463 1.00 24.10 O +ATOM 12114 CB PHE D 436 28.213 -31.786 -25.731 1.00 16.19 C +ATOM 12115 CG PHE D 436 26.787 -31.740 -26.157 1.00 21.98 C +ATOM 12116 CD1 PHE D 436 25.770 -32.051 -25.263 1.00 31.42 C +ATOM 12117 CD2 PHE D 436 26.457 -31.467 -27.477 1.00 28.84 C +ATOM 12118 CE1 PHE D 436 24.439 -32.104 -25.676 1.00 25.89 C +ATOM 12119 CE2 PHE D 436 25.128 -31.517 -27.905 1.00 30.04 C +ATOM 12120 CZ PHE D 436 24.118 -31.839 -27.000 1.00 17.56 C +ATOM 12121 H PHE D 436 27.234 -29.960 -23.702 1.00 15.00 H +ATOM 12122 N MET D 437 28.853 -29.166 -27.084 1.00 16.30 N +ATOM 12123 CA MET D 437 28.526 -28.064 -27.978 1.00 5.60 C +ATOM 12124 C MET D 437 29.308 -28.190 -29.262 1.00 7.18 C +ATOM 12125 O MET D 437 30.370 -28.813 -29.287 1.00 5.59 O +ATOM 12126 CB MET D 437 28.866 -26.755 -27.315 1.00 2.00 C +ATOM 12127 CG MET D 437 30.324 -26.596 -27.092 1.00 12.13 C +ATOM 12128 SD MET D 437 30.921 -25.430 -28.244 1.00 19.34 S +ATOM 12129 CE MET D 437 30.612 -23.937 -27.286 1.00 9.74 C +ATOM 12130 H MET D 437 29.560 -29.786 -27.362 1.00 15.00 H +ATOM 12131 N TYR D 438 28.771 -27.601 -30.323 1.00 9.91 N +ATOM 12132 CA TYR D 438 29.386 -27.653 -31.630 1.00 7.49 C +ATOM 12133 C TYR D 438 29.709 -26.270 -32.171 1.00 12.86 C +ATOM 12134 O TYR D 438 29.128 -25.271 -31.739 1.00 22.70 O +ATOM 12135 CB TYR D 438 28.428 -28.320 -32.590 1.00 2.00 C +ATOM 12136 CG TYR D 438 28.114 -29.770 -32.325 1.00 2.00 C +ATOM 12137 CD1 TYR D 438 27.127 -30.147 -31.416 1.00 2.00 C +ATOM 12138 CD2 TYR D 438 28.722 -30.763 -33.075 1.00 2.00 C +ATOM 12139 CE1 TYR D 438 26.751 -31.485 -31.281 1.00 2.00 C +ATOM 12140 CE2 TYR D 438 28.358 -32.089 -32.949 1.00 2.00 C +ATOM 12141 CZ TYR D 438 27.380 -32.447 -32.066 1.00 2.00 C +ATOM 12142 OH TYR D 438 27.020 -33.770 -32.005 1.00 7.69 O +ATOM 12143 H TYR D 438 27.916 -27.130 -30.247 1.00 15.00 H +ATOM 12144 HH TYR D 438 27.574 -34.288 -32.609 1.00 15.00 H +ATOM 12145 N SER D 439 30.634 -26.212 -33.122 1.00 14.70 N +ATOM 12146 CA SER D 439 31.005 -24.950 -33.753 1.00 12.49 C +ATOM 12147 C SER D 439 31.135 -25.276 -35.216 1.00 16.63 C +ATOM 12148 O SER D 439 32.025 -26.034 -35.616 1.00 20.57 O +ATOM 12149 CB SER D 439 32.329 -24.435 -33.233 1.00 4.22 C +ATOM 12150 OG SER D 439 32.700 -23.288 -33.961 1.00 8.24 O +ATOM 12151 H SER D 439 31.098 -27.029 -33.395 1.00 15.00 H +ATOM 12152 HG SER D 439 32.125 -22.565 -33.679 1.00 15.00 H +ATOM 12153 N LYS D 440 30.223 -24.731 -36.005 1.00 19.32 N +ATOM 12154 CA LYS D 440 30.187 -24.990 -37.431 1.00 16.07 C +ATOM 12155 C LYS D 440 30.946 -23.919 -38.186 1.00 20.15 C +ATOM 12156 O LYS D 440 30.915 -22.735 -37.827 1.00 15.21 O +ATOM 12157 CB LYS D 440 28.722 -25.091 -37.877 1.00 21.55 C +ATOM 12158 CG LYS D 440 28.415 -24.794 -39.327 1.00 28.51 C +ATOM 12159 CD LYS D 440 26.900 -24.745 -39.572 1.00 20.38 C +ATOM 12160 CE LYS D 440 26.582 -23.937 -40.824 1.00 9.88 C +ATOM 12161 NZ LYS D 440 27.155 -22.558 -40.689 1.00 12.28 N +ATOM 12162 H LYS D 440 29.581 -24.098 -35.622 1.00 15.00 H +ATOM 12163 HZ1 LYS D 440 26.741 -22.102 -39.849 1.00 15.00 H +ATOM 12164 HZ2 LYS D 440 28.187 -22.607 -40.571 1.00 15.00 H +ATOM 12165 HZ3 LYS D 440 26.919 -22.000 -41.534 1.00 15.00 H +ATOM 12166 N LEU D 441 31.678 -24.357 -39.198 1.00 19.78 N +ATOM 12167 CA LEU D 441 32.447 -23.457 -40.027 1.00 25.22 C +ATOM 12168 C LEU D 441 32.126 -23.763 -41.473 1.00 33.74 C +ATOM 12169 O LEU D 441 32.245 -24.912 -41.920 1.00 26.15 O +ATOM 12170 CB LEU D 441 33.933 -23.646 -39.815 1.00 30.29 C +ATOM 12171 CG LEU D 441 34.722 -22.629 -40.634 1.00 25.67 C +ATOM 12172 CD1 LEU D 441 34.664 -21.273 -39.961 1.00 8.86 C +ATOM 12173 CD2 LEU D 441 36.155 -23.099 -40.789 1.00 31.45 C +ATOM 12174 H LEU D 441 31.675 -25.297 -39.421 1.00 15.00 H +ATOM 12175 N ARG D 442 31.742 -22.723 -42.201 1.00 37.57 N +ATOM 12176 CA ARG D 442 31.393 -22.846 -43.603 1.00 38.76 C +ATOM 12177 C ARG D 442 32.564 -22.311 -44.421 1.00 39.28 C +ATOM 12178 O ARG D 442 33.056 -21.203 -44.157 1.00 34.45 O +ATOM 12179 CB ARG D 442 30.135 -22.024 -43.880 1.00 45.16 C +ATOM 12180 CG ARG D 442 29.230 -22.594 -44.948 1.00 57.59 C +ATOM 12181 CD ARG D 442 28.259 -21.536 -45.459 1.00 70.58 C +ATOM 12182 NE ARG D 442 27.145 -21.275 -44.552 1.00 77.77 N +ATOM 12183 CZ ARG D 442 25.974 -21.905 -44.608 1.00 85.00 C +ATOM 12184 NH1 ARG D 442 25.763 -22.860 -45.509 1.00 84.80 N +ATOM 12185 NH2 ARG D 442 25.017 -21.594 -43.747 1.00 89.29 N +ATOM 12186 H ARG D 442 31.743 -21.823 -41.805 1.00 15.00 H +ATOM 12187 HE ARG D 442 27.267 -20.599 -43.853 1.00 15.00 H +ATOM 12188 HH11 ARG D 442 26.484 -23.116 -46.150 1.00 15.00 H +ATOM 12189 HH12 ARG D 442 24.878 -23.327 -45.540 1.00 15.00 H +ATOM 12190 HH21 ARG D 442 25.176 -20.889 -43.057 1.00 15.00 H +ATOM 12191 HH22 ARG D 442 24.140 -22.071 -43.782 1.00 15.00 H +ATOM 12192 N VAL D 443 33.035 -23.107 -45.379 1.00 39.41 N +ATOM 12193 CA VAL D 443 34.147 -22.692 -46.232 1.00 56.86 C +ATOM 12194 C VAL D 443 33.984 -23.115 -47.695 1.00 73.97 C +ATOM 12195 O VAL D 443 33.297 -24.089 -47.998 1.00 77.44 O +ATOM 12196 CB VAL D 443 35.499 -23.225 -45.722 1.00 46.88 C +ATOM 12197 CG1 VAL D 443 35.908 -22.509 -44.459 1.00 45.63 C +ATOM 12198 CG2 VAL D 443 35.431 -24.713 -45.503 1.00 44.25 C +ATOM 12199 H VAL D 443 32.629 -23.994 -45.511 1.00 15.00 H +ATOM 12200 N GLU D 444 34.634 -22.376 -48.593 1.00 86.58 N +ATOM 12201 CA GLU D 444 34.590 -22.647 -50.032 1.00 93.97 C +ATOM 12202 C GLU D 444 35.425 -23.895 -50.350 1.00 90.73 C +ATOM 12203 O GLU D 444 36.650 -23.887 -50.192 1.00 91.08 O +ATOM 12204 CB GLU D 444 35.106 -21.415 -50.793 1.00105.69 C +ATOM 12205 CG GLU D 444 34.302 -20.137 -50.475 1.00122.67 C +ATOM 12206 CD GLU D 444 35.059 -18.832 -50.731 1.00132.80 C +ATOM 12207 OE1 GLU D 444 36.310 -18.850 -50.825 1.00141.04 O +ATOM 12208 OE2 GLU D 444 34.392 -17.776 -50.815 1.00135.84 O +ATOM 12209 H GLU D 444 35.177 -21.630 -48.275 1.00 15.00 H +ATOM 12210 N LYS D 445 34.751 -24.956 -50.792 1.00 86.58 N +ATOM 12211 CA LYS D 445 35.376 -26.245 -51.106 1.00 84.09 C +ATOM 12212 C LYS D 445 36.809 -26.227 -51.627 1.00 84.92 C +ATOM 12213 O LYS D 445 37.606 -27.107 -51.287 1.00 82.48 O +ATOM 12214 CB LYS D 445 34.491 -27.075 -52.038 1.00 80.66 C +ATOM 12215 CG LYS D 445 35.059 -28.464 -52.342 1.00 78.79 C +ATOM 12216 CD LYS D 445 33.997 -29.419 -52.862 1.00 80.58 C +ATOM 12217 CE LYS D 445 33.326 -28.884 -54.111 1.00 80.46 C +ATOM 12218 NZ LYS D 445 32.247 -29.786 -54.570 1.00 71.73 N +ATOM 12219 H LYS D 445 33.785 -24.878 -50.876 1.00 15.00 H +ATOM 12220 HZ1 LYS D 445 31.546 -29.889 -53.810 1.00 15.00 H +ATOM 12221 HZ2 LYS D 445 31.784 -29.385 -55.411 1.00 15.00 H +ATOM 12222 HZ3 LYS D 445 32.648 -30.716 -54.806 1.00 15.00 H +ATOM 12223 N LYS D 446 37.139 -25.232 -52.441 1.00 87.10 N +ATOM 12224 CA LYS D 446 38.483 -25.107 -52.991 1.00 88.37 C +ATOM 12225 C LYS D 446 39.508 -25.184 -51.861 1.00 84.63 C +ATOM 12226 O LYS D 446 40.368 -26.065 -51.841 1.00 83.64 O +ATOM 12227 CB LYS D 446 38.613 -23.772 -53.735 1.00 94.12 C +ATOM 12228 CG LYS D 446 37.689 -23.644 -54.948 1.00 98.72 C +ATOM 12229 CD LYS D 446 37.400 -22.191 -55.340 1.00101.40 C +ATOM 12230 CE LYS D 446 38.653 -21.411 -55.728 1.00104.45 C +ATOM 12231 NZ LYS D 446 39.368 -20.824 -54.555 1.00109.33 N +ATOM 12232 H LYS D 446 36.460 -24.564 -52.658 1.00 15.00 H +ATOM 12233 HZ1 LYS D 446 38.731 -20.174 -54.054 1.00 15.00 H +ATOM 12234 HZ2 LYS D 446 39.674 -21.577 -53.907 1.00 15.00 H +ATOM 12235 HZ3 LYS D 446 40.201 -20.299 -54.890 1.00 15.00 H +ATOM 12236 N ASN D 447 39.333 -24.319 -50.871 1.00 80.48 N +ATOM 12237 CA ASN D 447 40.229 -24.248 -49.726 1.00 83.85 C +ATOM 12238 C ASN D 447 40.301 -25.551 -48.928 1.00 88.46 C +ATOM 12239 O ASN D 447 41.314 -25.840 -48.287 1.00 92.83 O +ATOM 12240 CB ASN D 447 39.816 -23.091 -48.810 1.00 77.94 C +ATOM 12241 CG ASN D 447 39.752 -21.755 -49.539 1.00 73.66 C +ATOM 12242 OD1 ASN D 447 39.752 -21.701 -50.768 1.00 71.01 O +ATOM 12243 ND2 ASN D 447 39.680 -20.669 -48.782 1.00 74.62 N +ATOM 12244 H ASN D 447 38.580 -23.694 -50.929 1.00 15.00 H +ATOM 12245 HD21 ASN D 447 39.627 -19.816 -49.258 1.00 15.00 H +ATOM 12246 HD22 ASN D 447 39.679 -20.750 -47.803 1.00 15.00 H +ATOM 12247 N TRP D 448 39.239 -26.346 -48.984 1.00 88.98 N +ATOM 12248 CA TRP D 448 39.197 -27.603 -48.253 1.00 93.30 C +ATOM 12249 C TRP D 448 40.085 -28.690 -48.867 1.00100.67 C +ATOM 12250 O TRP D 448 40.990 -29.207 -48.211 1.00 98.48 O +ATOM 12251 CB TRP D 448 37.749 -28.090 -48.128 1.00 87.67 C +ATOM 12252 CG TRP D 448 37.626 -29.431 -47.483 1.00 82.36 C +ATOM 12253 CD1 TRP D 448 37.157 -30.576 -48.057 1.00 81.14 C +ATOM 12254 CD2 TRP D 448 38.037 -29.784 -46.161 1.00 77.71 C +ATOM 12255 NE1 TRP D 448 37.259 -31.622 -47.178 1.00 79.85 N +ATOM 12256 CE2 TRP D 448 37.795 -31.165 -46.005 1.00 79.47 C +ATOM 12257 CE3 TRP D 448 38.594 -29.067 -45.095 1.00 77.51 C +ATOM 12258 CZ2 TRP D 448 38.090 -31.848 -44.825 1.00 79.44 C +ATOM 12259 CZ3 TRP D 448 38.889 -29.743 -43.923 1.00 79.60 C +ATOM 12260 CH2 TRP D 448 38.635 -31.123 -43.798 1.00 82.19 C +ATOM 12261 H TRP D 448 38.482 -26.092 -49.550 1.00 15.00 H +ATOM 12262 HE1 TRP D 448 37.060 -32.564 -47.363 1.00 15.00 H +ATOM 12263 N VAL D 449 39.841 -29.015 -50.132 1.00113.17 N +ATOM 12264 CA VAL D 449 40.613 -30.053 -50.814 1.00125.57 C +ATOM 12265 C VAL D 449 42.072 -29.672 -51.074 1.00130.75 C +ATOM 12266 O VAL D 449 42.943 -30.543 -51.150 1.00132.60 O +ATOM 12267 CB VAL D 449 39.938 -30.490 -52.137 1.00128.58 C +ATOM 12268 CG1 VAL D 449 38.684 -31.310 -51.840 1.00127.61 C +ATOM 12269 CG2 VAL D 449 39.594 -29.267 -52.989 1.00130.09 C +ATOM 12270 H VAL D 449 39.131 -28.524 -50.602 1.00 15.00 H +ATOM 12271 N GLU D 450 42.332 -28.374 -51.210 1.00134.15 N +ATOM 12272 CA GLU D 450 43.685 -27.870 -51.444 1.00138.82 C +ATOM 12273 C GLU D 450 44.516 -27.977 -50.168 1.00140.88 C +ATOM 12274 O GLU D 450 45.731 -27.758 -50.185 1.00140.81 O +ATOM 12275 CB GLU D 450 43.626 -26.404 -51.880 1.00139.59 C +ATOM 12276 CG GLU D 450 42.930 -26.165 -53.218 1.00145.28 C +ATOM 12277 CD GLU D 450 42.589 -24.697 -53.467 1.00147.00 C +ATOM 12278 OE1 GLU D 450 42.754 -23.867 -52.542 1.00148.26 O +ATOM 12279 OE2 GLU D 450 42.136 -24.376 -54.588 1.00144.85 O +ATOM 12280 H GLU D 450 41.597 -27.725 -51.157 1.00 15.00 H +ATOM 12281 N ARG D 451 43.836 -28.304 -49.070 1.00144.61 N +ATOM 12282 CA ARG D 451 44.444 -28.441 -47.751 1.00147.51 C +ATOM 12283 C ARG D 451 44.816 -27.071 -47.180 1.00140.80 C +ATOM 12284 O ARG D 451 45.628 -26.338 -47.751 1.00140.94 O +ATOM 12285 CB ARG D 451 45.679 -29.355 -47.810 1.00160.07 C +ATOM 12286 CG ARG D 451 46.324 -29.628 -46.456 1.00177.47 C +ATOM 12287 CD ARG D 451 47.841 -29.443 -46.505 1.00189.87 C +ATOM 12288 NE ARG D 451 48.227 -28.062 -46.803 1.00201.12 N +ATOM 12289 CZ ARG D 451 48.214 -27.064 -45.920 1.00204.69 C +ATOM 12290 NH1 ARG D 451 47.835 -27.276 -44.666 1.00207.96 N +ATOM 12291 NH2 ARG D 451 48.583 -25.845 -46.294 1.00206.43 N +ATOM 12292 H ARG D 451 42.872 -28.457 -49.115 1.00 15.00 H +ATOM 12293 HE ARG D 451 48.517 -27.855 -47.715 1.00 15.00 H +ATOM 12294 HH11 ARG D 451 47.553 -28.187 -44.368 1.00 15.00 H +ATOM 12295 HH12 ARG D 451 47.831 -26.516 -44.014 1.00 15.00 H +ATOM 12296 HH21 ARG D 451 48.873 -25.673 -47.236 1.00 15.00 H +ATOM 12297 HH22 ARG D 451 48.572 -25.099 -45.628 1.00 15.00 H +ATOM 12298 N ASN D 452 44.190 -26.716 -46.064 1.00130.59 N +ATOM 12299 CA ASN D 452 44.462 -25.446 -45.406 1.00120.65 C +ATOM 12300 C ASN D 452 44.463 -25.678 -43.902 1.00111.05 C +ATOM 12301 O ASN D 452 43.932 -26.683 -43.418 1.00108.76 O +ATOM 12302 CB ASN D 452 43.420 -24.390 -45.799 1.00126.11 C +ATOM 12303 CG ASN D 452 44.010 -23.265 -46.643 1.00127.51 C +ATOM 12304 OD1 ASN D 452 43.910 -22.092 -46.285 1.00125.64 O +ATOM 12305 ND2 ASN D 452 44.624 -23.618 -47.766 1.00128.85 N +ATOM 12306 H ASN D 452 43.547 -27.332 -45.649 1.00 15.00 H +ATOM 12307 HD21 ASN D 452 44.992 -22.902 -48.317 1.00 15.00 H +ATOM 12308 HD22 ASN D 452 44.693 -24.570 -48.008 1.00 15.00 H +ATOM 12309 N SER D 453 45.068 -24.753 -43.167 1.00100.51 N +ATOM 12310 CA SER D 453 45.165 -24.865 -41.721 1.00 91.28 C +ATOM 12311 C SER D 453 43.943 -24.380 -40.942 1.00 78.70 C +ATOM 12312 O SER D 453 44.001 -23.368 -40.237 1.00 77.50 O +ATOM 12313 CB SER D 453 46.426 -24.153 -41.227 1.00100.11 C +ATOM 12314 OG SER D 453 47.577 -24.648 -41.898 1.00111.35 O +ATOM 12315 H SER D 453 45.472 -23.974 -43.595 1.00 15.00 H +ATOM 12316 HG SER D 453 48.372 -24.160 -41.648 1.00 15.00 H +ATOM 12317 N TYR D 454 42.843 -25.112 -41.065 1.00 64.39 N +ATOM 12318 CA TYR D 454 41.617 -24.780 -40.348 1.00 60.52 C +ATOM 12319 C TYR D 454 41.666 -25.553 -39.026 1.00 56.05 C +ATOM 12320 O TYR D 454 41.807 -26.782 -39.019 1.00 56.43 O +ATOM 12321 CB TYR D 454 40.374 -25.184 -41.168 1.00 68.58 C +ATOM 12322 CG TYR D 454 40.077 -24.310 -42.390 1.00 66.89 C +ATOM 12323 CD1 TYR D 454 39.810 -22.945 -42.252 1.00 60.52 C +ATOM 12324 CD2 TYR D 454 40.078 -24.849 -43.683 1.00 64.41 C +ATOM 12325 CE1 TYR D 454 39.560 -22.144 -43.361 1.00 57.73 C +ATOM 12326 CE2 TYR D 454 39.827 -24.049 -44.800 1.00 53.25 C +ATOM 12327 CZ TYR D 454 39.573 -22.699 -44.628 1.00 54.27 C +ATOM 12328 OH TYR D 454 39.359 -21.893 -45.723 1.00 55.70 O +ATOM 12329 H TYR D 454 42.874 -25.929 -41.608 1.00 15.00 H +ATOM 12330 HH TYR D 454 39.564 -22.437 -46.482 1.00 15.00 H +ATOM 12331 N SER D 455 41.571 -24.836 -37.911 1.00 47.67 N +ATOM 12332 CA SER D 455 41.639 -25.476 -36.606 1.00 40.96 C +ATOM 12333 C SER D 455 40.618 -24.963 -35.625 1.00 32.02 C +ATOM 12334 O SER D 455 40.289 -23.773 -35.608 1.00 36.07 O +ATOM 12335 CB SER D 455 43.027 -25.293 -36.001 1.00 44.55 C +ATOM 12336 OG SER D 455 44.033 -25.765 -36.879 1.00 61.23 O +ATOM 12337 H SER D 455 41.442 -23.872 -37.953 1.00 15.00 H +ATOM 12338 HG SER D 455 43.972 -25.229 -37.675 1.00 15.00 H +ATOM 12339 N CYS D 456 40.099 -25.881 -34.823 1.00 14.08 N +ATOM 12340 CA CYS D 456 39.134 -25.528 -33.806 1.00 13.97 C +ATOM 12341 C CYS D 456 39.987 -25.239 -32.586 1.00 15.79 C +ATOM 12342 O CYS D 456 40.804 -26.077 -32.190 1.00 22.69 O +ATOM 12343 CB CYS D 456 38.243 -26.722 -33.518 1.00 15.65 C +ATOM 12344 SG CYS D 456 36.881 -26.337 -32.386 1.00 8.41 S +ATOM 12345 H CYS D 456 40.417 -26.810 -34.865 1.00 15.00 H +ATOM 12346 N SER D 457 39.851 -24.065 -32.002 1.00 2.41 N +ATOM 12347 CA SER D 457 40.662 -23.775 -30.845 1.00 2.00 C +ATOM 12348 C SER D 457 39.795 -23.441 -29.642 1.00 21.26 C +ATOM 12349 O SER D 457 39.080 -22.429 -29.626 1.00 30.53 O +ATOM 12350 CB SER D 457 41.685 -22.683 -31.162 1.00 2.00 C +ATOM 12351 OG SER D 457 41.374 -21.452 -30.543 1.00 16.93 O +ATOM 12352 H SER D 457 39.200 -23.414 -32.316 1.00 15.00 H +ATOM 12353 HG SER D 457 40.436 -21.254 -30.688 1.00 15.00 H +ATOM 12354 N VAL D 458 39.814 -24.328 -28.653 1.00 22.82 N +ATOM 12355 CA VAL D 458 39.022 -24.118 -27.444 1.00 19.09 C +ATOM 12356 C VAL D 458 39.855 -23.712 -26.235 1.00 15.60 C +ATOM 12357 O VAL D 458 41.043 -24.020 -26.141 1.00 23.36 O +ATOM 12358 CB VAL D 458 38.090 -25.327 -27.102 1.00 9.42 C +ATOM 12359 CG1 VAL D 458 38.515 -26.585 -27.834 1.00 16.20 C +ATOM 12360 CG2 VAL D 458 38.076 -25.578 -25.620 1.00 10.29 C +ATOM 12361 H VAL D 458 40.409 -25.096 -28.715 1.00 15.00 H +ATOM 12362 N VAL D 459 39.233 -22.947 -25.353 1.00 9.15 N +ATOM 12363 CA VAL D 459 39.874 -22.497 -24.148 1.00 14.03 C +ATOM 12364 C VAL D 459 38.873 -22.760 -23.028 1.00 24.55 C +ATOM 12365 O VAL D 459 37.734 -22.290 -23.056 1.00 20.11 O +ATOM 12366 CB VAL D 459 40.332 -20.999 -24.220 1.00 5.95 C +ATOM 12367 CG1 VAL D 459 40.819 -20.663 -25.609 1.00 6.63 C +ATOM 12368 CG2 VAL D 459 39.260 -20.060 -23.777 1.00 2.00 C +ATOM 12369 H VAL D 459 38.309 -22.656 -25.513 1.00 15.00 H +ATOM 12370 N HIS D 460 39.289 -23.583 -22.078 1.00 31.95 N +ATOM 12371 CA HIS D 460 38.450 -23.970 -20.961 1.00 30.77 C +ATOM 12372 C HIS D 460 39.369 -24.100 -19.764 1.00 31.04 C +ATOM 12373 O HIS D 460 40.503 -24.563 -19.905 1.00 29.38 O +ATOM 12374 CB HIS D 460 37.823 -25.322 -21.284 1.00 27.10 C +ATOM 12375 CG HIS D 460 36.874 -25.820 -20.245 1.00 17.05 C +ATOM 12376 ND1 HIS D 460 36.179 -24.977 -19.410 1.00 6.98 N +ATOM 12377 CD2 HIS D 460 36.477 -27.073 -19.935 1.00 15.90 C +ATOM 12378 CE1 HIS D 460 35.391 -25.691 -18.631 1.00 20.23 C +ATOM 12379 NE2 HIS D 460 35.551 -26.965 -18.928 1.00 19.82 N +ATOM 12380 H HIS D 460 40.222 -23.906 -22.115 1.00 15.00 H +ATOM 12381 HD1 HIS D 460 36.095 -23.998 -19.450 1.00 15.00 H +ATOM 12382 HE2 HIS D 460 35.105 -27.713 -18.473 1.00 15.00 H +ATOM 12383 N GLU D 461 38.892 -23.699 -18.590 1.00 21.71 N +ATOM 12384 CA GLU D 461 39.723 -23.790 -17.393 1.00 16.40 C +ATOM 12385 C GLU D 461 40.340 -25.169 -17.180 1.00 9.39 C +ATOM 12386 O GLU D 461 41.517 -25.292 -16.848 1.00 16.40 O +ATOM 12387 CB GLU D 461 38.944 -23.375 -16.165 1.00 7.69 C +ATOM 12388 CG GLU D 461 37.621 -24.041 -16.034 1.00 19.50 C +ATOM 12389 CD GLU D 461 36.907 -23.557 -14.820 1.00 19.10 C +ATOM 12390 OE1 GLU D 461 37.279 -24.009 -13.721 1.00 20.59 O +ATOM 12391 OE2 GLU D 461 36.005 -22.705 -14.959 1.00 22.38 O +ATOM 12392 H GLU D 461 38.012 -23.281 -18.525 1.00 15.00 H +ATOM 12393 N GLY D 462 39.577 -26.209 -17.450 1.00 6.14 N +ATOM 12394 CA GLY D 462 40.112 -27.534 -17.268 1.00 2.00 C +ATOM 12395 C GLY D 462 40.887 -28.034 -18.452 1.00 7.03 C +ATOM 12396 O GLY D 462 40.682 -29.165 -18.866 1.00 19.34 O +ATOM 12397 H GLY D 462 38.660 -26.105 -17.741 1.00 15.00 H +ATOM 12398 N LEU D 463 41.760 -27.209 -19.014 1.00 11.00 N +ATOM 12399 CA LEU D 463 42.547 -27.614 -20.186 1.00 13.07 C +ATOM 12400 C LEU D 463 44.010 -27.311 -19.936 1.00 13.83 C +ATOM 12401 O LEU D 463 44.299 -26.298 -19.301 1.00 9.96 O +ATOM 12402 CB LEU D 463 42.092 -26.844 -21.428 1.00 2.34 C +ATOM 12403 CG LEU D 463 41.094 -27.547 -22.333 1.00 8.50 C +ATOM 12404 CD1 LEU D 463 40.767 -26.680 -23.517 1.00 15.76 C +ATOM 12405 CD2 LEU D 463 41.683 -28.846 -22.799 1.00 20.92 C +ATOM 12406 H LEU D 463 41.922 -26.324 -18.631 1.00 15.00 H +ATOM 12407 N HIS D 464 44.912 -28.109 -20.524 1.00 11.64 N +ATOM 12408 CA HIS D 464 46.352 -27.942 -20.342 1.00 12.28 C +ATOM 12409 C HIS D 464 46.717 -26.511 -19.996 1.00 20.21 C +ATOM 12410 O HIS D 464 46.813 -26.189 -18.810 1.00 37.99 O +ATOM 12411 CB HIS D 464 47.164 -28.461 -21.531 1.00 15.88 C +ATOM 12412 CG HIS D 464 48.657 -28.423 -21.317 1.00 15.62 C +ATOM 12413 ND1 HIS D 464 49.249 -27.870 -20.199 1.00 8.45 N +ATOM 12414 CD2 HIS D 464 49.678 -28.855 -22.099 1.00 21.17 C +ATOM 12415 CE1 HIS D 464 50.562 -27.960 -20.303 1.00 16.19 C +ATOM 12416 NE2 HIS D 464 50.848 -28.554 -21.447 1.00 8.21 N +ATOM 12417 H HIS D 464 44.570 -28.859 -21.057 1.00 15.00 H +ATOM 12418 HD1 HIS D 464 48.843 -27.465 -19.406 1.00 15.00 H +ATOM 12419 HE2 HIS D 464 51.776 -28.708 -21.760 1.00 15.00 H +ATOM 12420 N ASN D 465 46.933 -25.631 -20.963 1.00 13.07 N +ATOM 12421 CA ASN D 465 47.253 -24.267 -20.528 1.00 22.49 C +ATOM 12422 C ASN D 465 46.023 -23.416 -20.733 1.00 17.65 C +ATOM 12423 O ASN D 465 46.093 -22.248 -21.092 1.00 15.49 O +ATOM 12424 CB ASN D 465 48.494 -23.691 -21.220 1.00 26.76 C +ATOM 12425 CG ASN D 465 49.790 -24.132 -20.560 1.00 25.69 C +ATOM 12426 OD1 ASN D 465 50.571 -24.880 -21.137 1.00 27.40 O +ATOM 12427 ND2 ASN D 465 50.010 -23.682 -19.337 1.00 39.35 N +ATOM 12428 H ASN D 465 46.877 -25.829 -21.918 1.00 15.00 H +ATOM 12429 HD21 ASN D 465 50.856 -23.945 -18.922 1.00 15.00 H +ATOM 12430 HD22 ASN D 465 49.342 -23.104 -18.922 1.00 15.00 H +ATOM 12431 N HIS D 466 44.892 -24.025 -20.408 1.00 14.73 N +ATOM 12432 CA HIS D 466 43.592 -23.421 -20.560 1.00 18.15 C +ATOM 12433 C HIS D 466 43.201 -23.442 -22.030 1.00 14.96 C +ATOM 12434 O HIS D 466 42.068 -23.148 -22.350 1.00 33.30 O +ATOM 12435 CB HIS D 466 43.592 -21.979 -20.044 1.00 19.15 C +ATOM 12436 CG HIS D 466 43.560 -21.858 -18.553 1.00 21.48 C +ATOM 12437 ND1 HIS D 466 43.449 -22.945 -17.713 1.00 34.37 N +ATOM 12438 CD2 HIS D 466 43.577 -20.767 -17.751 1.00 34.65 C +ATOM 12439 CE1 HIS D 466 43.393 -22.529 -16.460 1.00 35.42 C +ATOM 12440 NE2 HIS D 466 43.469 -21.211 -16.455 1.00 27.75 N +ATOM 12441 H HIS D 466 44.992 -24.898 -20.028 1.00 15.00 H +ATOM 12442 HD1 HIS D 466 43.392 -23.898 -17.965 1.00 15.00 H +ATOM 12443 HE2 HIS D 466 43.457 -20.626 -15.666 1.00 15.00 H +ATOM 12444 N HIS D 467 44.089 -23.912 -22.902 1.00 9.54 N +ATOM 12445 CA HIS D 467 43.836 -23.917 -24.342 1.00 7.31 C +ATOM 12446 C HIS D 467 44.355 -25.119 -25.131 1.00 10.11 C +ATOM 12447 O HIS D 467 45.546 -25.406 -25.129 1.00 22.13 O +ATOM 12448 CB HIS D 467 44.450 -22.629 -24.924 1.00 22.36 C +ATOM 12449 CG HIS D 467 44.400 -22.517 -26.424 1.00 35.25 C +ATOM 12450 ND1 HIS D 467 43.787 -21.460 -27.067 1.00 28.92 N +ATOM 12451 CD2 HIS D 467 44.947 -23.280 -27.402 1.00 33.66 C +ATOM 12452 CE1 HIS D 467 43.961 -21.577 -28.371 1.00 33.84 C +ATOM 12453 NE2 HIS D 467 44.661 -22.673 -28.600 1.00 37.13 N +ATOM 12454 H HIS D 467 44.938 -24.275 -22.603 1.00 15.00 H +ATOM 12455 HD1 HIS D 467 43.262 -20.755 -26.639 1.00 15.00 H +ATOM 12456 HE2 HIS D 467 44.899 -22.993 -29.496 1.00 15.00 H +ATOM 12457 N THR D 468 43.465 -25.843 -25.784 1.00 4.96 N +ATOM 12458 CA THR D 468 43.892 -26.934 -26.645 1.00 2.00 C +ATOM 12459 C THR D 468 43.473 -26.407 -28.021 1.00 8.92 C +ATOM 12460 O THR D 468 42.811 -25.367 -28.107 1.00 15.44 O +ATOM 12461 CB THR D 468 43.198 -28.253 -26.302 1.00 7.93 C +ATOM 12462 OG1 THR D 468 43.601 -29.272 -27.228 1.00 16.78 O +ATOM 12463 CG2 THR D 468 41.711 -28.104 -26.359 1.00 22.13 C +ATOM 12464 H THR D 468 42.510 -25.618 -25.738 1.00 15.00 H +ATOM 12465 HG1 THR D 468 43.252 -30.121 -26.928 1.00 15.00 H +ATOM 12466 N THR D 469 43.863 -27.068 -29.099 1.00 9.68 N +ATOM 12467 CA THR D 469 43.506 -26.572 -30.417 1.00 12.40 C +ATOM 12468 C THR D 469 43.681 -27.669 -31.451 1.00 18.08 C +ATOM 12469 O THR D 469 44.666 -27.701 -32.176 1.00 19.79 O +ATOM 12470 CB THR D 469 44.334 -25.277 -30.748 1.00 14.90 C +ATOM 12471 OG1 THR D 469 44.013 -24.785 -32.049 1.00 26.53 O +ATOM 12472 CG2 THR D 469 45.812 -25.521 -30.661 1.00 20.23 C +ATOM 12473 H THR D 469 44.377 -27.900 -29.015 1.00 15.00 H +ATOM 12474 HG1 THR D 469 44.215 -25.482 -32.694 1.00 15.00 H +ATOM 12475 N LYS D 470 42.714 -28.581 -31.491 1.00 34.79 N +ATOM 12476 CA LYS D 470 42.741 -29.705 -32.421 1.00 50.14 C +ATOM 12477 C LYS D 470 42.669 -29.260 -33.858 1.00 54.82 C +ATOM 12478 O LYS D 470 41.866 -28.396 -34.212 1.00 57.85 O +ATOM 12479 CB LYS D 470 41.609 -30.686 -32.139 1.00 61.32 C +ATOM 12480 CG LYS D 470 42.080 -32.037 -31.593 1.00 82.05 C +ATOM 12481 CD LYS D 470 42.702 -31.905 -30.203 1.00 92.93 C +ATOM 12482 CE LYS D 470 43.042 -33.264 -29.606 1.00 97.13 C +ATOM 12483 NZ LYS D 470 43.478 -33.141 -28.186 1.00104.71 N +ATOM 12484 H LYS D 470 41.940 -28.475 -30.903 1.00 15.00 H +ATOM 12485 HZ1 LYS D 470 44.308 -32.519 -28.128 1.00 15.00 H +ATOM 12486 HZ2 LYS D 470 42.705 -32.733 -27.623 1.00 15.00 H +ATOM 12487 HZ3 LYS D 470 43.714 -34.085 -27.822 1.00 15.00 H +ATOM 12488 N SER D 471 43.491 -29.896 -34.684 1.00 68.65 N +ATOM 12489 CA SER D 471 43.592 -29.584 -36.103 1.00 78.89 C +ATOM 12490 C SER D 471 43.052 -30.674 -37.035 1.00 80.86 C +ATOM 12491 O SER D 471 42.514 -31.690 -36.584 1.00 80.84 O +ATOM 12492 CB SER D 471 45.054 -29.280 -36.441 1.00 84.22 C +ATOM 12493 OG SER D 471 45.925 -30.226 -35.835 1.00 93.55 O +ATOM 12494 H SER D 471 44.082 -30.608 -34.367 1.00 15.00 H +ATOM 12495 HG SER D 471 46.831 -30.012 -36.076 1.00 15.00 H +ATOM 12496 N PHE D 472 43.204 -30.448 -38.338 1.00 81.46 N +ATOM 12497 CA PHE D 472 42.740 -31.382 -39.355 1.00 85.23 C +ATOM 12498 C PHE D 472 43.847 -32.205 -40.001 1.00 96.09 C +ATOM 12499 O PHE D 472 44.999 -32.190 -39.559 1.00 93.88 O +ATOM 12500 CB PHE D 472 41.979 -30.629 -40.444 1.00 75.46 C +ATOM 12501 CG PHE D 472 40.501 -30.788 -40.354 1.00 60.29 C +ATOM 12502 CD1 PHE D 472 39.919 -32.039 -40.528 1.00 54.77 C +ATOM 12503 CD2 PHE D 472 39.691 -29.699 -40.064 1.00 51.41 C +ATOM 12504 CE1 PHE D 472 38.544 -32.205 -40.410 1.00 54.37 C +ATOM 12505 CE2 PHE D 472 38.318 -29.850 -39.943 1.00 51.47 C +ATOM 12506 CZ PHE D 472 37.740 -31.107 -40.115 1.00 50.42 C +ATOM 12507 H PHE D 472 43.639 -29.625 -38.636 1.00 15.00 H +ATOM 12508 N SER D 473 43.485 -32.898 -41.076 1.00111.70 N +ATOM 12509 CA SER D 473 44.426 -33.725 -41.811 1.00127.43 C +ATOM 12510 C SER D 473 44.311 -33.539 -43.334 1.00136.85 C +ATOM 12511 O SER D 473 45.160 -32.881 -43.943 1.00139.86 O +ATOM 12512 CB SER D 473 44.243 -35.194 -41.419 1.00127.45 C +ATOM 12513 OG SER D 473 44.312 -35.351 -40.011 1.00124.86 O +ATOM 12514 H SER D 473 42.565 -32.877 -41.403 1.00 15.00 H +ATOM 12515 HG SER D 473 45.085 -34.885 -39.661 1.00 15.00 H +ATOM 12516 N ARG D 474 43.252 -34.077 -43.937 1.00145.63 N +ATOM 12517 CA ARG D 474 43.056 -33.976 -45.381 1.00152.25 C +ATOM 12518 C ARG D 474 41.592 -33.676 -45.695 1.00153.68 C +ATOM 12519 O ARG D 474 40.719 -34.294 -45.044 1.00156.43 O +ATOM 12520 CB ARG D 474 43.481 -35.287 -46.059 1.00157.82 C +ATOM 12521 CG ARG D 474 43.518 -35.234 -47.583 1.00166.37 C +ATOM 12522 CD ARG D 474 43.816 -36.601 -48.205 1.00172.35 C +ATOM 12523 NE ARG D 474 45.161 -37.093 -47.902 1.00178.10 N +ATOM 12524 CZ ARG D 474 45.744 -38.123 -48.517 1.00179.80 C +ATOM 12525 NH1 ARG D 474 45.111 -38.780 -49.482 1.00180.57 N +ATOM 12526 NH2 ARG D 474 46.970 -38.496 -48.169 1.00181.32 N +ATOM 12527 OXT ARG D 474 41.337 -32.828 -46.577 1.00152.09 O +ATOM 12528 H ARG D 474 42.514 -34.529 -43.478 1.00 15.00 H +ATOM 12529 HE ARG D 474 45.673 -36.639 -47.200 1.00 15.00 H +ATOM 12530 HH11 ARG D 474 44.190 -38.506 -49.758 1.00 15.00 H +ATOM 12531 HH12 ARG D 474 45.558 -39.551 -49.936 1.00 15.00 H +ATOM 12532 HH21 ARG D 474 47.457 -38.007 -47.445 1.00 15.00 H +ATOM 12533 HH22 ARG D 474 47.405 -39.268 -48.629 1.00 15.00 H +TER 12534 ARG D 474 +HETATM12535 C1 NAG B 475 5.791 -20.194 -7.051 1.00 34.66 C +HETATM12536 C2 NAG B 475 6.100 -18.729 -7.466 1.00 33.16 C +HETATM12537 C3 NAG B 475 5.934 -18.550 -8.975 1.00 21.03 C +HETATM12538 C4 NAG B 475 6.943 -19.507 -9.597 1.00 25.87 C +HETATM12539 C5 NAG B 475 6.468 -20.898 -9.244 1.00 17.87 C +HETATM12540 C6 NAG B 475 7.165 -22.021 -9.988 1.00 18.22 C +HETATM12541 C7 NAG B 475 5.794 -16.568 -6.466 1.00 34.53 C +HETATM12542 C8 NAG B 475 4.872 -15.583 -5.769 1.00 38.89 C +HETATM12543 N2 NAG B 475 5.276 -17.755 -6.781 1.00 38.78 N +HETATM12544 O3 NAG B 475 6.173 -17.200 -9.340 1.00 12.02 O +HETATM12545 O4 NAG B 475 7.118 -19.345 -11.040 1.00 31.74 O +HETATM12546 O5 NAG B 475 6.617 -21.096 -7.825 1.00 21.92 O +HETATM12547 O6 NAG B 475 8.063 -22.738 -9.132 1.00 18.88 O +HETATM12548 O7 NAG B 475 6.977 -16.290 -6.670 1.00 31.63 O +HETATM12549 H1 NAG B 475 4.729 -20.455 -7.240 1.00 15.00 H +HETATM12550 H2 NAG B 475 7.160 -18.595 -7.180 1.00 15.00 H +HETATM12551 H3 NAG B 475 4.902 -18.794 -9.278 1.00 15.00 H +HETATM12552 H4 NAG B 475 7.949 -19.365 -9.158 1.00 15.00 H +HETATM12553 H5 NAG B 475 5.402 -20.975 -9.528 1.00 15.00 H +HETATM12554 H61 NAG B 475 7.731 -21.518 -10.765 1.00 15.00 H +HETATM12555 H62 NAG B 475 6.448 -22.705 -10.450 1.00 15.00 H +HETATM12556 H81 NAG B 475 5.393 -15.107 -4.926 1.00 15.00 H +HETATM12557 H82 NAG B 475 3.977 -16.086 -5.372 1.00 15.00 H +HETATM12558 H83 NAG B 475 4.561 -14.799 -6.470 1.00 15.00 H +HETATM12559 HN2 NAG B 475 4.354 -17.981 -6.539 1.00 15.00 H +HETATM12560 HO3 NAG B 475 7.019 -16.907 -8.968 1.00 15.00 H +HETATM12561 C1 FUL B 476 9.351 -22.698 -9.651 1.00 35.85 C +HETATM12562 C2 FUL B 476 10.202 -23.742 -8.965 1.00 38.18 C +HETATM12563 O2 FUL B 476 9.659 -25.026 -9.231 1.00 38.14 O +HETATM12564 C3 FUL B 476 11.624 -23.686 -9.502 1.00 46.03 C +HETATM12565 O3 FUL B 476 12.441 -24.546 -8.724 1.00 48.29 O +HETATM12566 C4 FUL B 476 12.186 -22.261 -9.448 1.00 56.23 C +HETATM12567 O4 FUL B 476 12.448 -21.910 -8.099 1.00 63.63 O +HETATM12568 C5 FUL B 476 11.209 -21.254 -10.082 1.00 56.64 C +HETATM12569 C6 FUL B 476 11.606 -19.798 -9.884 1.00 56.96 C +HETATM12570 O5 FUL B 476 9.907 -21.407 -9.502 1.00 47.63 O +HETATM12571 H1 FUL B 476 9.287 -22.931 -10.739 1.00 15.00 H +HETATM12572 H2 FUL B 476 10.192 -23.531 -7.881 1.00 15.00 H +HETATM12573 HO2 FUL B 476 8.715 -25.014 -9.013 1.00 15.00 H +HETATM12574 H3 FUL B 476 11.614 -24.042 -10.546 1.00 15.00 H +HETATM12575 HO3 FUL B 476 11.924 -25.361 -8.647 1.00 15.00 H +HETATM12576 H4 FUL B 476 13.137 -22.255 -10.010 1.00 15.00 H +HETATM12577 HO4 FUL B 476 12.852 -22.696 -7.711 1.00 15.00 H +HETATM12578 H5 FUL B 476 11.149 -21.444 -11.168 1.00 15.00 H +HETATM12579 H61 FUL B 476 11.638 -19.564 -8.810 1.00 15.00 H +HETATM12580 H62 FUL B 476 12.603 -19.603 -10.302 1.00 15.00 H +HETATM12581 H63 FUL B 476 10.874 -19.125 -10.354 1.00 15.00 H +HETATM12582 C1 NAG B 477 6.097 -18.935 -11.878 1.00 22.39 C +HETATM12583 C2 NAG B 477 6.068 -19.823 -13.128 1.00 22.63 C +HETATM12584 C3 NAG B 477 7.190 -19.459 -14.095 1.00 21.16 C +HETATM12585 C4 NAG B 477 7.063 -17.997 -14.476 1.00 22.46 C +HETATM12586 C5 NAG B 477 7.304 -17.240 -13.185 1.00 19.13 C +HETATM12587 C6 NAG B 477 7.355 -15.746 -13.336 1.00 22.38 C +HETATM12588 C7 NAG B 477 5.575 -22.166 -13.391 1.00 33.48 C +HETATM12589 C8 NAG B 477 5.885 -23.581 -12.944 1.00 28.46 C +HETATM12590 N2 NAG B 477 6.246 -21.210 -12.762 1.00 25.22 N +HETATM12591 O3 NAG B 477 7.144 -20.286 -15.250 1.00 16.74 O +HETATM12592 O4 NAG B 477 8.066 -17.646 -15.456 1.00 33.30 O +HETATM12593 O5 NAG B 477 6.244 -17.535 -12.228 1.00 30.57 O +HETATM12594 O6 NAG B 477 7.252 -15.121 -12.065 1.00 43.57 O +HETATM12595 O7 NAG B 477 4.712 -21.936 -14.244 1.00 44.75 O +HETATM12596 H1 NAG B 477 7.050 -18.548 -11.566 1.00 15.00 H +HETATM12597 H2 NAG B 477 5.098 -19.645 -13.615 1.00 15.00 H +HETATM12598 H3 NAG B 477 8.165 -19.634 -13.611 1.00 15.00 H +HETATM12599 H4 NAG B 477 6.034 -17.784 -14.817 1.00 15.00 H +HETATM12600 H5 NAG B 477 8.310 -17.473 -12.776 1.00 15.00 H +HETATM12601 H61 NAG B 477 6.520 -15.405 -13.965 1.00 15.00 H +HETATM12602 H62 NAG B 477 8.282 -15.437 -13.847 1.00 15.00 H +HETATM12603 H81 NAG B 477 5.279 -23.855 -12.072 1.00 15.00 H +HETATM12604 H82 NAG B 477 6.956 -23.704 -12.725 1.00 15.00 H +HETATM12605 H83 NAG B 477 5.635 -24.287 -13.749 1.00 15.00 H +HETATM12606 HN2 NAG B 477 6.917 -21.437 -12.135 1.00 15.00 H +HETATM12607 HO3 NAG B 477 7.809 -19.990 -15.885 1.00 15.00 H +HETATM12608 HO6 NAG B 477 6.610 -15.610 -11.523 1.00 15.00 H +HETATM12609 C1 BMA B 478 7.748 -17.599 -16.811 1.00 32.06 C +HETATM12610 C2 BMA B 478 8.537 -16.446 -17.422 1.00 46.16 C +HETATM12611 C3 BMA B 478 8.437 -16.426 -18.942 1.00 55.81 C +HETATM12612 C4 BMA B 478 8.901 -17.784 -19.466 1.00 47.47 C +HETATM12613 C5 BMA B 478 8.037 -18.856 -18.831 1.00 34.42 C +HETATM12614 C6 BMA B 478 8.386 -20.243 -19.306 1.00 27.69 C +HETATM12615 O2 BMA B 478 9.900 -16.602 -17.060 1.00 62.93 O +HETATM12616 O3 BMA B 478 9.285 -15.376 -19.468 1.00 74.30 O +HETATM12617 O4 BMA B 478 8.777 -17.836 -20.882 1.00 41.77 O +HETATM12618 O5 BMA B 478 8.185 -18.833 -17.396 1.00 29.76 O +HETATM12619 O6 BMA B 478 7.337 -21.152 -18.904 1.00 45.18 O +HETATM12620 H1 BMA B 478 6.663 -17.500 -16.974 1.00 15.00 H +HETATM12621 H2 BMA B 478 8.159 -15.504 -16.992 1.00 15.00 H +HETATM12622 H3 BMA B 478 7.383 -16.328 -19.234 1.00 15.00 H +HETATM12623 H4 BMA B 478 9.952 -17.962 -19.182 1.00 15.00 H +HETATM12624 H5 BMA B 478 6.986 -18.666 -19.118 1.00 15.00 H +HETATM12625 H61 BMA B 478 9.375 -20.513 -18.905 1.00 15.00 H +HETATM12626 H62 BMA B 478 8.494 -20.216 -20.403 1.00 15.00 H +HETATM12627 HO2 BMA B 478 9.908 -16.955 -16.163 1.00 15.00 H +HETATM12628 HO4 BMA B 478 9.395 -17.194 -21.248 1.00 15.00 H +HETATM12629 C1 MAN B 479 7.437 -22.398 -19.534 1.00 56.08 C +HETATM12630 C2 MAN B 479 6.332 -23.317 -19.017 1.00 59.54 C +HETATM12631 C3 MAN B 479 6.522 -23.497 -17.511 1.00 69.76 C +HETATM12632 C4 MAN B 479 7.926 -24.016 -17.205 1.00 75.76 C +HETATM12633 C5 MAN B 479 9.003 -23.157 -17.895 1.00 71.55 C +HETATM12634 C6 MAN B 479 10.399 -23.755 -17.822 1.00 69.15 C +HETATM12635 O2 MAN B 479 6.405 -24.600 -19.693 1.00 55.86 O +HETATM12636 O3 MAN B 479 5.560 -24.409 -16.995 1.00 79.16 O +HETATM12637 O4 MAN B 479 8.121 -24.003 -15.795 1.00 87.80 O +HETATM12638 O5 MAN B 479 8.697 -22.995 -19.295 1.00 60.40 O +HETATM12639 O6 MAN B 479 11.292 -23.072 -18.694 1.00 73.75 O +HETATM12640 H1 MAN B 479 7.373 -22.245 -20.625 1.00 15.00 H +HETATM12641 H2 MAN B 479 5.354 -22.827 -19.170 1.00 15.00 H +HETATM12642 H3 MAN B 479 6.402 -22.525 -16.995 1.00 15.00 H +HETATM12643 H4 MAN B 479 7.978 -25.054 -17.575 1.00 15.00 H +HETATM12644 H5 MAN B 479 9.032 -22.166 -17.412 1.00 15.00 H +HETATM12645 H61 MAN B 479 10.375 -24.829 -18.064 1.00 15.00 H +HETATM12646 H62 MAN B 479 10.757 -23.674 -16.784 1.00 15.00 H +HETATM12647 HO3 MAN B 479 4.724 -23.939 -16.917 1.00 15.00 H +HETATM12648 HO4 MAN B 479 7.271 -24.310 -15.456 1.00 15.00 H +HETATM12649 HO6 MAN B 479 10.754 -22.703 -19.403 1.00 15.00 H +HETATM12650 C1 NAG B 480 5.670 -24.744 -20.869 1.00 51.13 C +HETATM12651 C2 NAG B 480 6.317 -25.793 -21.763 1.00 51.16 C +HETATM12652 C3 NAG B 480 5.445 -26.012 -23.011 1.00 54.15 C +HETATM12653 C4 NAG B 480 3.996 -26.328 -22.620 1.00 46.42 C +HETATM12654 C5 NAG B 480 3.488 -25.240 -21.696 1.00 39.40 C +HETATM12655 C6 NAG B 480 2.090 -25.499 -21.208 1.00 38.60 C +HETATM12656 C7 NAG B 480 8.724 -26.063 -21.923 1.00 64.00 C +HETATM12657 C8 NAG B 480 10.044 -25.467 -22.389 1.00 61.33 C +HETATM12658 N2 NAG B 480 7.637 -25.331 -22.160 1.00 57.40 N +HETATM12659 O3 NAG B 480 5.978 -27.069 -23.798 1.00 59.42 O +HETATM12660 O4 NAG B 480 3.168 -26.363 -23.801 1.00 64.66 O +HETATM12661 O5 NAG B 480 4.332 -25.135 -20.532 1.00 44.37 O +HETATM12662 O6 NAG B 480 1.748 -24.568 -20.196 1.00 42.04 O +HETATM12663 O7 NAG B 480 8.683 -27.160 -21.368 1.00 67.51 O +HETATM12664 H1 NAG B 480 5.629 -23.768 -21.386 1.00 15.00 H +HETATM12665 H2 NAG B 480 6.336 -26.728 -21.175 1.00 15.00 H +HETATM12666 H3 NAG B 480 5.416 -25.101 -23.632 1.00 15.00 H +HETATM12667 H4 NAG B 480 3.975 -27.282 -22.067 1.00 15.00 H +HETATM12668 H5 NAG B 480 3.470 -24.266 -22.210 1.00 15.00 H +HETATM12669 H61 NAG B 480 2.031 -26.514 -20.785 1.00 15.00 H +HETATM12670 H62 NAG B 480 1.397 -25.486 -22.060 1.00 15.00 H +HETATM12671 H81 NAG B 480 10.141 -25.566 -23.478 1.00 15.00 H +HETATM12672 H82 NAG B 480 10.885 -25.998 -21.916 1.00 15.00 H +HETATM12673 H83 NAG B 480 10.121 -24.410 -22.102 1.00 15.00 H +HETATM12674 HN2 NAG B 480 7.733 -24.475 -22.615 1.00 15.00 H +HETATM12675 HO3 NAG B 480 6.310 -27.759 -23.212 1.00 15.00 H +HETATM12676 HO6 NAG B 480 2.467 -24.585 -19.555 1.00 15.00 H +HETATM12677 C1 GAL B 481 3.020 -27.573 -24.468 1.00 85.86 C +HETATM12678 C2 GAL B 481 1.777 -28.322 -23.954 1.00 97.28 C +HETATM12679 C3 GAL B 481 1.662 -29.681 -24.654 1.00 99.95 C +HETATM12680 C4 GAL B 481 2.008 -29.548 -26.140 1.00 96.58 C +HETATM12681 C5 GAL B 481 1.939 -28.078 -26.587 1.00 90.80 C +HETATM12682 C6 GAL B 481 0.583 -27.402 -26.426 1.00 87.50 C +HETATM12683 O2 GAL B 481 1.871 -28.521 -22.549 1.00100.55 O +HETATM12684 O3 GAL B 481 0.345 -30.200 -24.509 1.00108.31 O +HETATM12685 O4 GAL B 481 1.115 -30.335 -26.918 1.00 94.55 O +HETATM12686 O5 GAL B 481 2.912 -27.275 -25.874 1.00 89.14 O +HETATM12687 O6 GAL B 481 0.722 -26.068 -25.949 1.00 79.38 O +HETATM12688 H1 GAL B 481 3.891 -28.215 -24.335 1.00 15.00 H +HETATM12689 H2 GAL B 481 0.893 -27.678 -24.029 1.00 15.00 H +HETATM12690 H3 GAL B 481 2.377 -30.376 -24.180 1.00 15.00 H +HETATM12691 H4 GAL B 481 3.030 -29.913 -26.322 1.00 15.00 H +HETATM12692 H5 GAL B 481 2.291 -27.954 -27.621 1.00 15.00 H +HETATM12693 H61 GAL B 481 -0.181 -27.984 -25.890 1.00 15.00 H +HETATM12694 H62 GAL B 481 0.140 -27.337 -27.428 1.00 15.00 H +HETATM12695 HO2 GAL B 481 1.004 -28.843 -22.274 1.00 15.00 H +HETATM12696 HO3 GAL B 481 0.349 -31.099 -24.864 1.00 15.00 H +HETATM12697 HO4 GAL B 481 0.217 -30.138 -26.621 1.00 15.00 H +HETATM12698 HO6 GAL B 481 1.667 -25.839 -25.925 1.00 15.00 H +HETATM12699 C1 MAN B 482 8.660 -14.177 -19.850 1.00 91.07 C +HETATM12700 C2 MAN B 482 9.015 -13.872 -21.297 1.00103.83 C +HETATM12701 C3 MAN B 482 10.500 -13.539 -21.413 1.00103.11 C +HETATM12702 C4 MAN B 482 10.885 -12.435 -20.439 1.00102.32 C +HETATM12703 C5 MAN B 482 10.428 -12.770 -19.018 1.00102.54 C +HETATM12704 C6 MAN B 482 10.637 -11.611 -18.049 1.00107.11 C +HETATM12705 O2 MAN B 482 8.212 -12.775 -21.780 1.00124.87 O +HETATM12706 O3 MAN B 482 10.811 -13.124 -22.735 1.00 99.95 O +HETATM12707 O4 MAN B 482 12.295 -12.279 -20.463 1.00105.66 O +HETATM12708 O5 MAN B 482 9.022 -13.085 -19.012 1.00 91.98 O +HETATM12709 O6 MAN B 482 9.970 -11.834 -16.814 1.00111.98 O +HETATM12710 H1 MAN B 482 7.565 -14.218 -19.703 1.00 15.00 H +HETATM12711 H2 MAN B 482 8.850 -14.806 -21.865 1.00 15.00 H +HETATM12712 H3 MAN B 482 11.066 -14.456 -21.177 1.00 15.00 H +HETATM12713 H4 MAN B 482 10.403 -11.503 -20.779 1.00 15.00 H +HETATM12714 H5 MAN B 482 10.963 -13.658 -18.632 1.00 15.00 H +HETATM12715 H61 MAN B 482 10.294 -10.665 -18.492 1.00 15.00 H +HETATM12716 H62 MAN B 482 11.719 -11.505 -17.868 1.00 15.00 H +HETATM12717 HO3 MAN B 482 10.384 -13.703 -23.386 1.00 15.00 H +HETATM12718 HO4 MAN B 482 12.504 -12.217 -21.407 1.00 15.00 H +HETATM12719 HO6 MAN B 482 9.217 -12.401 -17.015 1.00 15.00 H +HETATM12720 C1 NAG B 483 7.597 -13.002 -23.001 1.00147.68 C +HETATM12721 C2 NAG B 483 6.748 -11.788 -23.402 1.00159.72 C +HETATM12722 C3 NAG B 483 6.205 -11.980 -24.825 1.00165.67 C +HETATM12723 C4 NAG B 483 7.367 -12.252 -25.777 1.00163.56 C +HETATM12724 C5 NAG B 483 8.150 -13.469 -25.281 1.00157.15 C +HETATM12725 C6 NAG B 483 9.361 -13.804 -26.128 1.00155.12 C +HETATM12726 C7 NAG B 483 4.665 -12.431 -22.302 1.00167.97 C +HETATM12727 C8 NAG B 483 3.608 -12.052 -21.277 1.00166.62 C +HETATM12728 N2 NAG B 483 5.663 -11.559 -22.455 1.00166.00 N +HETATM12729 O3 NAG B 483 5.500 -10.818 -25.245 1.00170.89 O +HETATM12730 O4 NAG B 483 6.865 -12.489 -27.084 1.00168.56 O +HETATM12731 O5 NAG B 483 8.640 -13.223 -23.954 1.00152.41 O +HETATM12732 O6 NAG B 483 10.165 -14.792 -25.493 1.00151.33 O +HETATM12733 O7 NAG B 483 4.584 -13.484 -22.937 1.00168.30 O +HETATM12734 H1 NAG B 483 6.994 -13.926 -22.943 1.00 15.00 H +HETATM12735 H2 NAG B 483 7.402 -10.902 -23.389 1.00 15.00 H +HETATM12736 H3 NAG B 483 5.553 -12.858 -24.942 1.00 15.00 H +HETATM12737 H4 NAG B 483 8.027 -11.369 -25.791 1.00 15.00 H +HETATM12738 H5 NAG B 483 7.504 -14.364 -25.243 1.00 15.00 H +HETATM12739 H61 NAG B 483 9.959 -12.893 -26.286 1.00 15.00 H +HETATM12740 H62 NAG B 483 9.028 -14.145 -27.121 1.00 15.00 H +HETATM12741 H81 NAG B 483 2.927 -12.899 -21.108 1.00 15.00 H +HETATM12742 H82 NAG B 483 3.039 -11.179 -21.623 1.00 15.00 H +HETATM12743 H83 NAG B 483 4.068 -11.816 -20.307 1.00 15.00 H +HETATM12744 HN2 NAG B 483 5.686 -10.744 -21.915 1.00 15.00 H +HETATM12745 HO3 NAG B 483 4.630 -10.837 -24.834 1.00 15.00 H +HETATM12746 HO4 NAG B 483 6.285 -11.740 -27.273 1.00 15.00 H +HETATM12747 HO6 NAG B 483 10.666 -15.268 -26.163 1.00 15.00 H +HETATM12748 C1 NAG D 475 15.179 2.409 -21.411 1.00138.48 C +HETATM12749 C2 NAG D 475 14.181 1.365 -20.856 1.00137.31 C +HETATM12750 C3 NAG D 475 14.918 0.088 -20.438 1.00133.46 C +HETATM12751 C4 NAG D 475 15.732 -0.443 -21.617 1.00130.89 C +HETATM12752 C5 NAG D 475 16.689 0.657 -22.109 1.00129.20 C +HETATM12753 C6 NAG D 475 17.471 0.235 -23.337 1.00124.06 C +HETATM12754 C7 NAG D 475 12.353 2.611 -19.848 1.00138.38 C +HETATM12755 C8 NAG D 475 11.695 3.093 -18.560 1.00132.44 C +HETATM12756 N2 NAG D 475 13.463 1.888 -19.702 1.00140.41 N +HETATM12757 O3 NAG D 475 13.982 -0.892 -20.007 1.00129.01 O +HETATM12758 O4 NAG D 475 16.468 -1.647 -21.245 1.00133.90 O +HETATM12759 O5 NAG D 475 15.948 1.843 -22.486 1.00133.23 O +HETATM12760 O6 NAG D 475 16.641 0.394 -24.506 1.00123.35 O +HETATM12761 O7 NAG D 475 11.887 2.906 -20.954 1.00139.04 O +HETATM12762 H1 NAG D 475 15.886 2.752 -20.630 1.00 15.00 H +HETATM12763 H2 NAG D 475 13.477 1.087 -21.663 1.00 15.00 H +HETATM12764 H3 NAG D 475 15.595 0.341 -19.607 1.00 15.00 H +HETATM12765 H4 NAG D 475 15.033 -0.685 -22.436 1.00 15.00 H +HETATM12766 H5 NAG D 475 17.396 0.871 -21.288 1.00 15.00 H +HETATM12767 H61 NAG D 475 17.911 -0.759 -23.201 1.00 15.00 H +HETATM12768 H62 NAG D 475 18.328 0.910 -23.439 1.00 15.00 H +HETATM12769 H81 NAG D 475 12.398 3.064 -17.715 1.00 15.00 H +HETATM12770 H82 NAG D 475 10.827 2.460 -18.321 1.00 15.00 H +HETATM12771 H83 NAG D 475 11.350 4.130 -18.677 1.00 15.00 H +HETATM12772 HN2 NAG D 475 13.789 1.667 -18.809 1.00 15.00 H +HETATM12773 HO3 NAG D 475 14.458 -1.719 -19.849 1.00 15.00 H +HETATM12774 C1 FUC D 476 16.232 -0.814 -25.087 1.00124.98 C +HETATM12775 C2 FUC D 476 16.808 -0.890 -26.503 1.00125.81 C +HETATM12776 C3 FUC D 476 16.328 -2.148 -27.224 1.00129.00 C +HETATM12777 C4 FUC D 476 14.801 -2.210 -27.192 1.00131.96 C +HETATM12778 C5 FUC D 476 14.302 -2.112 -25.745 1.00131.24 C +HETATM12779 C6 FUC D 476 12.785 -2.053 -25.658 1.00127.79 C +HETATM12780 O2 FUC D 476 18.227 -0.888 -26.451 1.00126.76 O +HETATM12781 O3 FUC D 476 16.779 -2.118 -28.573 1.00127.46 O +HETATM12782 O4 FUC D 476 14.264 -1.138 -27.957 1.00136.33 O +HETATM12783 O5 FUC D 476 14.810 -0.911 -25.124 1.00126.79 O +HETATM12784 H1 FUC D 476 16.493 -1.690 -24.461 1.00 15.00 H +HETATM12785 H2 FUC D 476 16.463 -0.008 -27.064 1.00 15.00 H +HETATM12786 H3 FUC D 476 16.758 -3.026 -26.712 1.00 15.00 H +HETATM12787 H4 FUC D 476 14.498 -3.172 -27.640 1.00 15.00 H +HETATM12788 H5 FUC D 476 14.640 -3.007 -25.190 1.00 15.00 H +HETATM12789 H61 FUC D 476 12.457 -2.062 -24.606 1.00 15.00 H +HETATM12790 H62 FUC D 476 12.328 -2.907 -26.184 1.00 15.00 H +HETATM12791 H63 FUC D 476 12.398 -1.132 -26.117 1.00 15.00 H +HETATM12792 HO2 FUC D 476 18.551 -1.039 -27.350 1.00 15.00 H +HETATM12793 HO3 FUC D 476 16.127 -1.583 -29.052 1.00 15.00 H +HETATM12794 HO4 FUC D 476 14.226 -0.371 -27.368 1.00 15.00 H +HETATM12795 C1 NAG D 477 17.094 -1.710 -19.994 1.00134.11 C +HETATM12796 C2 NAG D 477 18.509 -2.321 -19.991 1.00133.32 C +HETATM12797 C3 NAG D 477 18.470 -3.851 -19.851 1.00129.80 C +HETATM12798 C4 NAG D 477 17.583 -4.268 -18.672 1.00130.17 C +HETATM12799 C5 NAG D 477 16.172 -3.660 -18.813 1.00132.52 C +HETATM12800 C6 NAG D 477 15.305 -3.964 -17.595 1.00133.95 C +HETATM12801 C7 NAG D 477 19.910 -0.813 -21.281 1.00135.18 C +HETATM12802 C8 NAG D 477 20.661 -0.562 -22.584 1.00129.39 C +HETATM12803 N2 NAG D 477 19.250 -1.968 -21.193 1.00136.23 N +HETATM12804 O3 NAG D 477 19.791 -4.341 -19.654 1.00122.42 O +HETATM12805 O4 NAG D 477 17.461 -5.714 -18.645 1.00131.53 O +HETATM12806 O5 NAG D 477 16.215 -2.205 -18.952 1.00133.01 O +HETATM12807 O6 NAG D 477 13.945 -3.611 -17.818 1.00136.03 O +HETATM12808 O7 NAG D 477 19.893 0.036 -20.385 1.00137.91 O +HETATM12809 H1 NAG D 477 16.596 -2.502 -20.626 1.00 15.00 H +HETATM12810 H2 NAG D 477 19.028 -1.930 -19.096 1.00 15.00 H +HETATM12811 H3 NAG D 477 18.074 -4.296 -20.780 1.00 15.00 H +HETATM12812 H4 NAG D 477 18.026 -3.862 -17.746 1.00 15.00 H +HETATM12813 H5 NAG D 477 15.665 -4.158 -19.661 1.00 15.00 H +HETATM12814 H61 NAG D 477 15.684 -3.421 -16.714 1.00 15.00 H +HETATM12815 H62 NAG D 477 15.352 -5.037 -17.348 1.00 15.00 H +HETATM12816 H81 NAG D 477 20.684 0.511 -22.820 1.00 15.00 H +HETATM12817 H82 NAG D 477 20.216 -1.105 -23.429 1.00 15.00 H +HETATM12818 H83 NAG D 477 21.701 -0.906 -22.478 1.00 15.00 H +HETATM12819 HN2 NAG D 477 19.292 -2.620 -21.922 1.00 15.00 H +HETATM12820 HO3 NAG D 477 19.800 -5.298 -19.745 1.00 15.00 H +HETATM12821 HO6 NAG D 477 13.834 -2.653 -17.811 1.00 15.00 H +HETATM12822 C1 BMA D 478 18.362 -6.475 -17.906 1.00133.81 C +HETATM12823 C2 BMA D 478 17.667 -7.775 -17.472 1.00135.21 C +HETATM12824 C3 BMA D 478 18.661 -8.712 -16.780 1.00134.66 C +HETATM12825 C4 BMA D 478 19.857 -8.933 -17.684 1.00134.59 C +HETATM12826 C5 BMA D 478 20.471 -7.602 -18.118 1.00137.69 C +HETATM12827 C6 BMA D 478 21.567 -7.850 -19.134 1.00141.96 C +HETATM12828 O2 BMA D 478 17.114 -8.420 -18.613 1.00133.43 O +HETATM12829 O3 BMA D 478 18.042 -9.991 -16.519 1.00133.96 O +HETATM12830 O4 BMA D 478 20.824 -9.717 -17.003 1.00132.69 O +HETATM12831 O5 BMA D 478 19.475 -6.778 -18.760 1.00137.69 O +HETATM12832 O6 BMA D 478 22.164 -6.608 -19.566 1.00147.77 O +HETATM12833 H1 BMA D 478 18.713 -5.903 -17.024 1.00 15.00 H +HETATM12834 H2 BMA D 478 16.856 -7.498 -16.775 1.00 15.00 H +HETATM12835 H3 BMA D 478 18.997 -8.200 -15.860 1.00 15.00 H +HETATM12836 H4 BMA D 478 19.504 -9.477 -18.578 1.00 15.00 H +HETATM12837 H5 BMA D 478 20.896 -7.067 -17.249 1.00 15.00 H +HETATM12838 H61 BMA D 478 21.103 -8.418 -19.954 1.00 15.00 H +HETATM12839 H62 BMA D 478 22.316 -8.516 -18.681 1.00 15.00 H +HETATM12840 HO2 BMA D 478 16.815 -7.717 -19.201 1.00 15.00 H +HETATM12841 HO4 BMA D 478 20.397 -10.538 -16.745 1.00 15.00 H +HETATM12842 C1 MAN D 479 22.980 -6.842 -20.680 1.00155.66 C +HETATM12843 C2 MAN D 479 23.698 -5.553 -21.119 1.00160.11 C +HETATM12844 C3 MAN D 479 22.758 -4.590 -21.864 1.00160.60 C +HETATM12845 C4 MAN D 479 21.904 -5.316 -22.903 1.00160.72 C +HETATM12846 C5 MAN D 479 21.230 -6.518 -22.256 1.00160.64 C +HETATM12847 C6 MAN D 479 20.357 -7.335 -23.180 1.00162.71 C +HETATM12848 O2 MAN D 479 24.840 -5.884 -21.951 1.00166.22 O +HETATM12849 O3 MAN D 479 23.522 -3.585 -22.515 1.00159.04 O +HETATM12850 O4 MAN D 479 20.928 -4.422 -23.418 1.00163.13 O +HETATM12851 O5 MAN D 479 22.240 -7.398 -21.749 1.00157.58 O +HETATM12852 O6 MAN D 479 20.008 -8.572 -22.572 1.00166.39 O +HETATM12853 H1 MAN D 479 23.714 -7.621 -20.402 1.00 15.00 H +HETATM12854 H2 MAN D 479 23.997 -5.002 -20.208 1.00 15.00 H +HETATM12855 H3 MAN D 479 22.073 -4.121 -21.135 1.00 15.00 H +HETATM12856 H4 MAN D 479 22.568 -5.668 -23.712 1.00 15.00 H +HETATM12857 H5 MAN D 479 20.593 -6.200 -21.414 1.00 15.00 H +HETATM12858 H61 MAN D 479 20.888 -7.523 -24.125 1.00 15.00 H +HETATM12859 H62 MAN D 479 19.453 -6.758 -23.429 1.00 15.00 H +HETATM12860 HO3 MAN D 479 24.283 -4.037 -22.911 1.00 15.00 H +HETATM12861 HO4 MAN D 479 21.452 -3.661 -23.701 1.00 15.00 H +HETATM12862 HO6 MAN D 479 20.764 -8.839 -22.040 1.00 15.00 H +HETATM12863 C1 NAG D 480 26.076 -5.958 -21.307 1.00170.09 C +HETATM12864 C2 NAG D 480 26.955 -7.030 -21.931 1.00168.91 C +HETATM12865 C3 NAG D 480 28.210 -7.140 -21.075 1.00168.40 C +HETATM12866 C4 NAG D 480 28.933 -5.782 -21.044 1.00170.01 C +HETATM12867 C5 NAG D 480 27.965 -4.627 -20.672 1.00173.13 C +HETATM12868 C6 NAG D 480 28.560 -3.247 -20.934 1.00175.04 C +HETATM12869 C7 NAG D 480 25.589 -8.646 -23.082 1.00162.97 C +HETATM12870 C8 NAG D 480 24.899 -9.999 -23.046 1.00162.67 C +HETATM12871 N2 NAG D 480 26.266 -8.304 -21.991 1.00165.89 N +HETATM12872 O3 NAG D 480 29.058 -8.144 -21.613 1.00167.29 O +HETATM12873 O4 NAG D 480 30.002 -5.805 -20.067 1.00167.71 O +HETATM12874 O5 NAG D 480 26.731 -4.694 -21.431 1.00175.72 O +HETATM12875 O6 NAG D 480 29.662 -2.980 -20.078 1.00174.56 O +HETATM12876 O7 NAG D 480 25.522 -7.923 -24.076 1.00161.63 O +HETATM12877 H1 NAG D 480 25.903 -6.164 -20.235 1.00 15.00 H +HETATM12878 H2 NAG D 480 27.266 -6.694 -22.938 1.00 15.00 H +HETATM12879 H3 NAG D 480 27.922 -7.433 -20.053 1.00 15.00 H +HETATM12880 H4 NAG D 480 29.320 -5.544 -22.044 1.00 15.00 H +HETATM12881 H5 NAG D 480 27.700 -4.678 -19.601 1.00 15.00 H +HETATM12882 H61 NAG D 480 27.791 -2.475 -20.777 1.00 15.00 H +HETATM12883 H62 NAG D 480 28.875 -3.162 -21.984 1.00 15.00 H +HETATM12884 H81 NAG D 480 25.647 -10.805 -23.014 1.00 15.00 H +HETATM12885 H82 NAG D 480 24.293 -10.135 -23.953 1.00 15.00 H +HETATM12886 H83 NAG D 480 24.231 -10.069 -22.178 1.00 15.00 H +HETATM12887 HN2 NAG D 480 26.364 -8.930 -21.250 1.00 15.00 H +HETATM12888 HO3 NAG D 480 29.519 -7.784 -22.385 1.00 15.00 H +HETATM12889 HO6 NAG D 480 30.426 -3.518 -20.330 1.00 15.00 H +HETATM12890 C1 GAL D 481 30.925 -6.846 -20.032 1.00162.05 C +HETATM12891 C2 GAL D 481 31.908 -6.729 -21.213 1.00159.87 C +HETATM12892 C3 GAL D 481 33.005 -7.790 -21.121 1.00161.19 C +HETATM12893 C4 GAL D 481 33.555 -7.890 -19.697 1.00161.82 C +HETATM12894 C5 GAL D 481 33.045 -6.735 -18.832 1.00161.13 C +HETATM12895 C6 GAL D 481 33.489 -5.335 -19.267 1.00160.73 C +HETATM12896 O2 GAL D 481 31.219 -6.886 -22.444 1.00155.85 O +HETATM12897 O3 GAL D 481 34.059 -7.468 -22.021 1.00159.45 O +HETATM12898 O4 GAL D 481 34.977 -7.880 -19.731 1.00163.27 O +HETATM12899 O5 GAL D 481 31.599 -6.756 -18.760 1.00162.09 O +HETATM12900 O6 GAL D 481 32.385 -4.451 -19.429 1.00158.81 O +HETATM12901 H1 GAL D 481 30.509 -7.854 -19.926 1.00 15.00 H +HETATM12902 H2 GAL D 481 32.320 -5.728 -21.354 1.00 15.00 H +HETATM12903 H3 GAL D 481 32.572 -8.765 -21.397 1.00 15.00 H +HETATM12904 H4 GAL D 481 33.214 -8.823 -19.212 1.00 15.00 H +HETATM12905 H5 GAL D 481 33.338 -6.901 -17.780 1.00 15.00 H +HETATM12906 H61 GAL D 481 34.172 -5.326 -20.129 1.00 15.00 H +HETATM12907 H62 GAL D 481 34.091 -4.898 -18.459 1.00 15.00 H +HETATM12908 HO2 GAL D 481 31.915 -6.892 -23.117 1.00 15.00 H +HETATM12909 HO3 GAL D 481 34.758 -8.120 -21.887 1.00 15.00 H +HETATM12910 HO4 GAL D 481 35.257 -7.097 -20.223 1.00 15.00 H +HETATM12911 HO6 GAL D 481 31.599 -4.899 -19.076 1.00 15.00 H +HETATM12912 C1 MAN D 482 18.070 -10.445 -15.194 1.00129.86 C +HETATM12913 C2 MAN D 482 17.746 -11.944 -15.167 1.00128.25 C +HETATM12914 C3 MAN D 482 16.325 -12.169 -15.659 1.00129.93 C +HETATM12915 C4 MAN D 482 15.360 -11.346 -14.803 1.00131.92 C +HETATM12916 C5 MAN D 482 15.773 -9.866 -14.805 1.00131.42 C +HETATM12917 C6 MAN D 482 14.926 -9.000 -13.882 1.00129.95 C +HETATM12918 O2 MAN D 482 17.853 -12.444 -13.819 1.00126.43 O +HETATM12919 O3 MAN D 482 16.002 -13.548 -15.548 1.00131.23 O +HETATM12920 O4 MAN D 482 14.040 -11.489 -15.310 1.00132.85 O +HETATM12921 O5 MAN D 482 17.147 -9.736 -14.379 1.00129.86 O +HETATM12922 O6 MAN D 482 15.194 -7.614 -14.075 1.00129.44 O +HETATM12923 H1 MAN D 482 19.080 -10.243 -14.807 1.00 15.00 H +HETATM12924 H2 MAN D 482 18.434 -12.467 -15.854 1.00 15.00 H +HETATM12925 H3 MAN D 482 16.231 -11.848 -16.712 1.00 15.00 H +HETATM12926 H4 MAN D 482 15.387 -11.731 -13.771 1.00 15.00 H +HETATM12927 H5 MAN D 482 15.654 -9.496 -15.838 1.00 15.00 H +HETATM12928 H61 MAN D 482 15.124 -9.274 -12.836 1.00 15.00 H +HETATM12929 H62 MAN D 482 13.860 -9.211 -14.069 1.00 15.00 H +HETATM12930 HO3 MAN D 482 16.283 -13.834 -14.670 1.00 15.00 H +HETATM12931 HO4 MAN D 482 13.938 -12.424 -15.536 1.00 15.00 H +HETATM12932 HO6 MAN D 482 14.376 -7.173 -14.324 1.00 15.00 H +HETATM12933 C1 NAG D 483 19.111 -12.832 -13.389 1.00131.61 C +HETATM12934 C2 NAG D 483 19.154 -12.814 -11.862 1.00133.06 C +HETATM12935 C3 NAG D 483 20.553 -13.241 -11.397 1.00133.96 C +HETATM12936 C4 NAG D 483 20.853 -14.634 -11.965 1.00132.20 C +HETATM12937 C5 NAG D 483 20.681 -14.634 -13.494 1.00132.66 C +HETATM12938 C6 NAG D 483 20.841 -16.007 -14.118 1.00133.71 C +HETATM12939 C7 NAG D 483 19.308 -10.383 -11.807 1.00126.28 C +HETATM12940 C8 NAG D 483 18.797 -9.101 -11.171 1.00124.76 C +HETATM12941 N2 NAG D 483 18.774 -11.510 -11.338 1.00129.21 N +HETATM12942 O3 NAG D 483 20.612 -13.276 -9.976 1.00136.04 O +HETATM12943 O4 NAG D 483 22.180 -15.018 -11.623 1.00127.37 O +HETATM12944 O5 NAG D 483 19.361 -14.161 -13.861 1.00132.52 O +HETATM12945 O6 NAG D 483 20.457 -15.985 -15.487 1.00136.38 O +HETATM12946 O7 NAG D 483 20.184 -10.359 -12.673 1.00124.40 O +HETATM12947 H1 NAG D 483 19.904 -12.235 -13.868 1.00 15.00 H +HETATM12948 H2 NAG D 483 18.422 -13.541 -11.481 1.00 15.00 H +HETATM12949 H3 NAG D 483 21.320 -12.541 -11.774 1.00 15.00 H +HETATM12950 H4 NAG D 483 20.147 -15.354 -11.519 1.00 15.00 H +HETATM12951 H5 NAG D 483 21.428 -13.968 -13.966 1.00 15.00 H +HETATM12952 H61 NAG D 483 20.233 -16.749 -13.580 1.00 15.00 H +HETATM12953 H62 NAG D 483 21.892 -16.328 -14.040 1.00 15.00 H +HETATM12954 H81 NAG D 483 17.811 -8.846 -11.588 1.00 15.00 H +HETATM12955 H82 NAG D 483 19.481 -8.267 -11.384 1.00 15.00 H +HETATM12956 H83 NAG D 483 18.716 -9.206 -10.081 1.00 15.00 H +HETATM12957 HN2 NAG D 483 18.119 -11.477 -10.618 1.00 15.00 H +HETATM12958 HO3 NAG D 483 21.486 -13.625 -9.757 1.00 15.00 H +HETATM12959 HO4 NAG D 483 22.336 -15.927 -11.890 1.00 15.00 H +HETATM12960 HO6 NAG D 483 19.634 -15.486 -15.565 1.00 15.00 H +CONECT 194 814 +CONECT 814 194 +CONECT 1214 1833 +CONECT 1833 1214 +CONECT 2031 3310 +CONECT 2220 2977 +CONECT 2977 2220 +CONECT 3310 2031 +CONECT 3401 3900 +CONECT 3900 3401 +CONECT 413210399 +CONECT 415310420 +CONECT 417310440 +CONECT 4446 5040 +CONECT 480212535 +CONECT 5040 4446 +CONECT 5480 6077 +CONECT 6077 5480 +CONECT 6461 7081 +CONECT 7081 6461 +CONECT 7481 8100 +CONECT 8100 7481 +CONECT 8298 9577 +CONECT 8487 9244 +CONECT 9244 8487 +CONECT 9577 8298 +CONECT 966810167 +CONECT10167 9668 +CONECT10399 4132 +CONECT10420 4153 +CONECT10440 4173 +CONECT1071311307 +CONECT1106912748 +CONECT1130710713 +CONECT1174712344 +CONECT1234411747 +CONECT12535 4802125361254612549 +CONECT1253612535125371254312550 +CONECT1253712536125381254412551 +CONECT1253812537125391254512552 +CONECT1253912538125401254612553 +CONECT1254012539125471255412555 +CONECT12541125421254312548 +CONECT1254212541125561255712558 +CONECT12543125361254112559 +CONECT125441253712560 +CONECT125451253812582 +CONECT125461253512539 +CONECT125471254012561 +CONECT1254812541 +CONECT1254912535 +CONECT1255012536 +CONECT1255112537 +CONECT1255212538 +CONECT1255312539 +CONECT1255412540 +CONECT1255512540 +CONECT1255612542 +CONECT1255712542 +CONECT1255812542 +CONECT1255912543 +CONECT1256012544 +CONECT1256112547125621257012571 +CONECT1256212561125631256412572 +CONECT125631256212573 +CONECT1256412562125651256612574 +CONECT125651256412575 +CONECT1256612564125671256812576 +CONECT125671256612577 +CONECT1256812566125691257012578 +CONECT1256912568125791258012581 +CONECT125701256112568 +CONECT1257112561 +CONECT1257212562 +CONECT1257312563 +CONECT1257412564 +CONECT1257512565 +CONECT1257612566 +CONECT1257712567 +CONECT1257812568 +CONECT1257912569 +CONECT1258012569 +CONECT1258112569 +CONECT1258212545125831259312596 +CONECT1258312582125841259012597 +CONECT1258412583125851259112598 +CONECT1258512584125861259212599 +CONECT1258612585125871259312600 +CONECT1258712586125941260112602 +CONECT12588125891259012595 +CONECT1258912588126031260412605 +CONECT12590125831258812606 +CONECT125911258412607 +CONECT125921258512609 +CONECT125931258212586 +CONECT125941258712608 +CONECT1259512588 +CONECT1259612582 +CONECT1259712583 +CONECT1259812584 +CONECT1259912585 +CONECT1260012586 +CONECT1260112587 +CONECT1260212587 +CONECT1260312589 +CONECT1260412589 +CONECT1260512589 +CONECT1260612590 +CONECT1260712591 +CONECT1260812594 +CONECT1260912592126101261812620 +CONECT1261012609126111261512621 +CONECT1261112610126121261612622 +CONECT1261212611126131261712623 +CONECT1261312612126141261812624 +CONECT1261412613126191262512626 +CONECT126151261012627 +CONECT126161261112699 +CONECT126171261212628 +CONECT126181260912613 +CONECT126191261412629 +CONECT1262012609 +CONECT1262112610 +CONECT1262212611 +CONECT1262312612 +CONECT1262412613 +CONECT1262512614 +CONECT1262612614 +CONECT1262712615 +CONECT1262812617 +CONECT1262912619126301263812640 +CONECT1263012629126311263512641 +CONECT1263112630126321263612642 +CONECT1263212631126331263712643 +CONECT1263312632126341263812644 +CONECT1263412633126391264512646 +CONECT126351263012650 +CONECT126361263112647 +CONECT126371263212648 +CONECT126381262912633 +CONECT126391263412649 +CONECT1264012629 +CONECT1264112630 +CONECT1264212631 +CONECT1264312632 +CONECT1264412633 +CONECT1264512634 +CONECT1264612634 +CONECT1264712636 +CONECT1264812637 +CONECT1264912639 +CONECT1265012635126511266112664 +CONECT1265112650126521265812665 +CONECT1265212651126531265912666 +CONECT1265312652126541266012667 +CONECT1265412653126551266112668 +CONECT1265512654126621266912670 +CONECT12656126571265812663 +CONECT1265712656126711267212673 +CONECT12658126511265612674 +CONECT126591265212675 +CONECT126601265312677 +CONECT126611265012654 +CONECT126621265512676 +CONECT1266312656 +CONECT1266412650 +CONECT1266512651 +CONECT1266612652 +CONECT1266712653 +CONECT1266812654 +CONECT1266912655 +CONECT1267012655 +CONECT1267112657 +CONECT1267212657 +CONECT1267312657 +CONECT1267412658 +CONECT1267512659 +CONECT1267612662 +CONECT1267712660126781268612688 +CONECT1267812677126791268312689 +CONECT1267912678126801268412690 +CONECT1268012679126811268512691 +CONECT1268112680126821268612692 +CONECT1268212681126871269312694 +CONECT126831267812695 +CONECT126841267912696 +CONECT126851268012697 +CONECT126861267712681 +CONECT126871268212698 +CONECT1268812677 +CONECT1268912678 +CONECT1269012679 +CONECT1269112680 +CONECT1269212681 +CONECT1269312682 +CONECT1269412682 +CONECT1269512683 +CONECT1269612684 +CONECT1269712685 +CONECT1269812687 +CONECT1269912616127001270812710 +CONECT1270012699127011270512711 +CONECT1270112700127021270612712 +CONECT1270212701127031270712713 +CONECT1270312702127041270812714 +CONECT1270412703127091271512716 +CONECT127051270012720 +CONECT127061270112717 +CONECT127071270212718 +CONECT127081269912703 +CONECT127091270412719 +CONECT1271012699 +CONECT1271112700 +CONECT1271212701 +CONECT1271312702 +CONECT1271412703 +CONECT1271512704 +CONECT1271612704 +CONECT1271712706 +CONECT1271812707 +CONECT1271912709 +CONECT1272012705127211273112734 +CONECT1272112720127221272812735 +CONECT1272212721127231272912736 +CONECT1272312722127241273012737 +CONECT1272412723127251273112738 +CONECT1272512724127321273912740 +CONECT12726127271272812733 +CONECT1272712726127411274212743 +CONECT12728127211272612744 +CONECT127291272212745 +CONECT127301272312746 +CONECT127311272012724 +CONECT127321272512747 +CONECT1273312726 +CONECT1273412720 +CONECT1273512721 +CONECT1273612722 +CONECT1273712723 +CONECT1273812724 +CONECT1273912725 +CONECT1274012725 +CONECT1274112727 +CONECT1274212727 +CONECT1274312727 +CONECT1274412728 +CONECT1274512729 +CONECT1274612730 +CONECT1274712732 +CONECT1274811069127491275912762 +CONECT1274912748127501275612763 +CONECT1275012749127511275712764 +CONECT1275112750127521275812765 +CONECT1275212751127531275912766 +CONECT1275312752127601276712768 +CONECT12754127551275612761 +CONECT1275512754127691277012771 +CONECT12756127491275412772 +CONECT127571275012773 +CONECT127581275112795 +CONECT127591274812752 +CONECT127601275312774 +CONECT1276112754 +CONECT1276212748 +CONECT1276312749 +CONECT1276412750 +CONECT1276512751 +CONECT1276612752 +CONECT1276712753 +CONECT1276812753 +CONECT1276912755 +CONECT1277012755 +CONECT1277112755 +CONECT1277212756 +CONECT1277312757 +CONECT1277412760127751278312784 +CONECT1277512774127761278012785 +CONECT1277612775127771278112786 +CONECT1277712776127781278212787 +CONECT1277812777127791278312788 +CONECT1277912778127891279012791 +CONECT127801277512792 +CONECT127811277612793 +CONECT127821277712794 +CONECT127831277412778 +CONECT1278412774 +CONECT1278512775 +CONECT1278612776 +CONECT1278712777 +CONECT1278812778 +CONECT1278912779 +CONECT1279012779 +CONECT1279112779 +CONECT1279212780 +CONECT1279312781 +CONECT1279412782 +CONECT1279512758127961280612809 +CONECT1279612795127971280312810 +CONECT1279712796127981280412811 +CONECT1279812797127991280512812 +CONECT1279912798128001280612813 +CONECT1280012799128071281412815 +CONECT12801128021280312808 +CONECT1280212801128161281712818 +CONECT12803127961280112819 +CONECT128041279712820 +CONECT128051279812822 +CONECT128061279512799 +CONECT128071280012821 +CONECT1280812801 +CONECT1280912795 +CONECT1281012796 +CONECT1281112797 +CONECT1281212798 +CONECT1281312799 +CONECT1281412800 +CONECT1281512800 +CONECT1281612802 +CONECT1281712802 +CONECT1281812802 +CONECT1281912803 +CONECT1282012804 +CONECT1282112807 +CONECT1282212805128231283112833 +CONECT1282312822128241282812834 +CONECT1282412823128251282912835 +CONECT1282512824128261283012836 +CONECT1282612825128271283112837 +CONECT1282712826128321283812839 +CONECT128281282312840 +CONECT128291282412912 +CONECT128301282512841 +CONECT128311282212826 +CONECT128321282712842 +CONECT1283312822 +CONECT1283412823 +CONECT1283512824 +CONECT1283612825 +CONECT1283712826 +CONECT1283812827 +CONECT1283912827 +CONECT1284012828 +CONECT1284112830 +CONECT1284212832128431285112853 +CONECT1284312842128441284812854 +CONECT1284412843128451284912855 +CONECT1284512844128461285012856 +CONECT1284612845128471285112857 +CONECT1284712846128521285812859 +CONECT128481284312863 +CONECT128491284412860 +CONECT128501284512861 +CONECT128511284212846 +CONECT128521284712862 +CONECT1285312842 +CONECT1285412843 +CONECT1285512844 +CONECT1285612845 +CONECT1285712846 +CONECT1285812847 +CONECT1285912847 +CONECT1286012849 +CONECT1286112850 +CONECT1286212852 +CONECT1286312848128641287412877 +CONECT1286412863128651287112878 +CONECT1286512864128661287212879 +CONECT1286612865128671287312880 +CONECT1286712866128681287412881 +CONECT1286812867128751288212883 +CONECT12869128701287112876 +CONECT1287012869128841288512886 +CONECT12871128641286912887 +CONECT128721286512888 +CONECT128731286612890 +CONECT128741286312867 +CONECT128751286812889 +CONECT1287612869 +CONECT1287712863 +CONECT1287812864 +CONECT1287912865 +CONECT1288012866 +CONECT1288112867 +CONECT1288212868 +CONECT1288312868 +CONECT1288412870 +CONECT1288512870 +CONECT1288612870 +CONECT1288712871 +CONECT1288812872 +CONECT1288912875 +CONECT1289012873128911289912901 +CONECT1289112890128921289612902 +CONECT1289212891128931289712903 +CONECT1289312892128941289812904 +CONECT1289412893128951289912905 +CONECT1289512894129001290612907 +CONECT128961289112908 +CONECT128971289212909 +CONECT128981289312910 +CONECT128991289012894 +CONECT129001289512911 +CONECT1290112890 +CONECT1290212891 +CONECT1290312892 +CONECT1290412893 +CONECT1290512894 +CONECT1290612895 +CONECT1290712895 +CONECT1290812896 +CONECT1290912897 +CONECT1291012898 +CONECT1291112900 +CONECT1291212829129131292112923 +CONECT1291312912129141291812924 +CONECT1291412913129151291912925 +CONECT1291512914129161292012926 +CONECT1291612915129171292112927 +CONECT1291712916129221292812929 +CONECT129181291312933 +CONECT129191291412930 +CONECT129201291512931 +CONECT129211291212916 +CONECT129221291712932 +CONECT1292312912 +CONECT1292412913 +CONECT1292512914 +CONECT1292612915 +CONECT1292712916 +CONECT1292812917 +CONECT1292912917 +CONECT1293012919 +CONECT1293112920 +CONECT1293212922 +CONECT1293312918129341294412947 +CONECT1293412933129351294112948 +CONECT1293512934129361294212949 +CONECT1293612935129371294312950 +CONECT1293712936129381294412951 +CONECT1293812937129451295212953 +CONECT12939129401294112946 +CONECT1294012939129541295512956 +CONECT12941129341293912957 +CONECT129421293512958 +CONECT129431293612959 +CONECT129441293312937 +CONECT129451293812960 +CONECT1294612939 +CONECT1294712933 +CONECT1294812934 +CONECT1294912935 +CONECT1295012936 +CONECT1295112937 +CONECT1295212938 +CONECT1295312938 +CONECT1295412940 +CONECT1295512940 +CONECT1295612940 +CONECT1295712941 +CONECT1295812942 +CONECT1295912943 +CONECT1296012945 +MASTER 432 0 18 27 92 0 21 610434 4 462 104 +END diff --git a/test/PDB/6a0z.HLHL.pdb b/test/PDB/6a0z.HLHL.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/6a0z.HLHL.pdb @@ -0,0 +1,1756 @@ +ATOM 9 N VAL H 2 23.974 9.654 16.774 1.00 45.82 N +ATOM 10 CA VAL H 2 23.022 8.558 16.906 1.00 37.99 C +ATOM 11 C VAL H 2 22.189 8.699 18.177 1.00 30.31 C +ATOM 12 O VAL H 2 22.729 8.783 19.279 1.00 33.03 O +ATOM 13 CB VAL H 2 23.749 7.200 16.886 1.00 37.26 C +ATOM 14 CG1 VAL H 2 22.752 6.049 17.023 1.00 38.00 C +ATOM 15 CG2 VAL H 2 24.563 7.055 15.607 1.00 37.81 C +ATOM 16 N GLN H 3 20.868 8.716 18.013 1.00 24.82 N +ATOM 17 CA GLN H 3 19.938 8.803 19.128 1.00 37.91 C +ATOM 18 C GLN H 3 18.828 7.778 18.954 1.00 32.40 C +ATOM 19 O GLN H 3 18.401 7.482 17.834 1.00 31.62 O +ATOM 20 CB GLN H 3 19.313 10.200 19.247 1.00 44.95 C +ATOM 21 CG GLN H 3 20.290 11.304 19.612 1.00 60.65 C +ATOM 22 CD GLN H 3 19.636 12.675 19.639 1.00 71.21 C +ATOM 23 OE1 GLN H 3 20.218 13.659 19.184 1.00 77.57 O +ATOM 24 NE2 GLN H 3 18.422 12.745 20.177 1.00 68.87 N +ATOM 25 N LEU H 4 18.361 7.247 20.081 1.00 34.24 N +ATOM 26 CA LEU H 4 17.221 6.340 20.125 1.00 33.56 C +ATOM 27 C LEU H 4 16.155 6.962 21.013 1.00 31.54 C +ATOM 28 O LEU H 4 16.389 7.183 22.206 1.00 38.76 O +ATOM 29 CB LEU H 4 17.633 4.961 20.645 1.00 32.63 C +ATOM 30 CG LEU H 4 17.848 3.875 19.585 1.00 36.16 C +ATOM 31 CD1 LEU H 4 18.750 4.350 18.456 1.00 42.05 C +ATOM 32 CD2 LEU H 4 18.423 2.621 20.228 1.00 38.38 C +ATOM 33 N GLN H 5 14.991 7.244 20.432 1.00 26.55 N +ATOM 34 CA GLN H 5 13.903 7.936 21.114 1.00 26.81 C +ATOM 35 C GLN H 5 12.783 6.938 21.376 1.00 22.25 C +ATOM 36 O GLN H 5 12.128 6.473 20.437 1.00 24.52 O +ATOM 37 CB GLN H 5 13.406 9.111 20.275 1.00 36.90 C +ATOM 38 CG GLN H 5 12.273 9.905 20.907 1.00 57.75 C +ATOM 39 CD GLN H 5 11.634 10.873 19.931 1.00 71.47 C +ATOM 40 OE1 GLN H 5 12.308 11.449 19.076 1.00 77.61 O +ATOM 41 NE2 GLN H 5 10.322 11.046 20.045 1.00 73.28 N +ATOM 42 N GLN H 6 12.554 6.623 22.647 1.00 25.10 N +ATOM 43 CA GLN H 6 11.532 5.664 23.038 1.00 28.60 C +ATOM 44 C GLN H 6 10.239 6.371 23.426 1.00 27.67 C +ATOM 45 O GLN H 6 10.245 7.515 23.887 1.00 30.06 O +ATOM 46 CB GLN H 6 12.016 4.801 24.205 1.00 33.74 C +ATOM 47 CG GLN H 6 13.144 3.850 23.840 1.00 28.69 C +ATOM 48 CD GLN H 6 13.477 2.882 24.958 1.00 31.07 C +ATOM 49 OE1 GLN H 6 14.633 2.761 25.369 1.00 26.19 O +ATOM 50 NE2 GLN H 6 12.463 2.180 25.452 1.00 27.91 N +ATOM 51 N SER H 7 9.125 5.672 23.232 1.00 38.57 N +ATOM 52 CA SER H 7 7.819 6.197 23.595 1.00 35.41 C +ATOM 53 C SER H 7 7.671 6.251 25.116 1.00 33.51 C +ATOM 54 O SER H 7 8.492 5.723 25.872 1.00 32.18 O +ATOM 55 CB SER H 7 6.714 5.344 22.973 1.00 31.78 C +ATOM 56 OG SER H 7 6.948 3.965 23.196 1.00 26.33 O +ATOM 57 N GLY H 8 6.591 6.894 25.563 1.00 33.48 N +ATOM 58 CA GLY H 8 6.427 7.229 26.961 1.00 30.96 C +ATOM 59 C GLY H 8 5.851 6.102 27.798 1.00 35.94 C +ATOM 60 O GLY H 8 5.471 5.037 27.311 1.00 31.96 O +ATOM 61 N ALA H 9 5.788 6.365 29.103 1.00 37.14 N +ATOM 62 CA ALA H 9 5.290 5.381 30.054 1.00 39.39 C +ATOM 63 C ALA H 9 3.859 4.981 29.717 1.00 39.92 C +ATOM 64 O ALA H 9 3.098 5.746 29.118 1.00 37.40 O +ATOM 65 CB ALA H 9 5.355 5.940 31.477 1.00 38.30 C +ATOM 66 N GLU H 10 3.493 3.764 30.114 1.00 37.00 N +ATOM 67 CA GLU H 10 2.176 3.222 29.823 1.00 34.89 C +ATOM 68 C GLU H 10 1.680 2.401 31.003 1.00 31.67 C +ATOM 69 O GLU H 10 2.459 1.710 31.666 1.00 32.01 O +ATOM 70 CB GLU H 10 2.206 2.366 28.550 1.00 46.87 C +ATOM 71 CG GLU H 10 1.728 3.114 27.308 1.00 63.76 C +ATOM 72 CD GLU H 10 2.373 2.623 26.025 1.00 79.72 C +ATOM 73 OE1 GLU H 10 3.439 1.976 26.095 1.00 88.39 O +ATOM 74 OE2 GLU H 10 1.812 2.892 24.940 1.00 82.00 O +ATOM 75 N LEU H 11 0.378 2.497 31.261 1.00 35.53 N +ATOM 76 CA LEU H 11 -0.298 1.729 32.299 1.00 39.02 C +ATOM 77 C LEU H 11 -1.317 0.825 31.621 1.00 36.33 C +ATOM 78 O LEU H 11 -2.188 1.309 30.890 1.00 32.96 O +ATOM 79 CB LEU H 11 -0.973 2.658 33.312 1.00 43.82 C +ATOM 80 CG LEU H 11 -2.024 2.056 34.249 1.00 45.78 C +ATOM 81 CD1 LEU H 11 -1.410 1.012 35.169 1.00 45.33 C +ATOM 82 CD2 LEU H 11 -2.702 3.156 35.054 1.00 46.93 C +ATOM 83 N MET H 12 -1.209 -0.481 31.861 1.00 38.49 N +ATOM 84 CA MET H 12 -1.989 -1.471 31.134 1.00 38.06 C +ATOM 85 C MET H 12 -2.681 -2.415 32.103 1.00 35.07 C +ATOM 86 O MET H 12 -2.152 -2.737 33.170 1.00 35.15 O +ATOM 87 CB MET H 12 -1.101 -2.276 30.176 1.00 42.54 C +ATOM 88 CG MET H 12 -0.452 -1.431 29.100 1.00 50.19 C +ATOM 89 SD MET H 12 -1.653 -0.820 27.905 1.00 62.49 S +ATOM 90 CE MET H 12 -0.881 0.714 27.399 1.00 71.41 C +ATOM 91 N LYS H 13 -3.876 -2.854 31.717 1.00 28.78 N +ATOM 92 CA LYS H 13 -4.608 -3.831 32.502 1.00 41.55 C +ATOM 93 C LYS H 13 -4.005 -5.224 32.317 1.00 38.84 C +ATOM 94 O LYS H 13 -3.459 -5.535 31.255 1.00 35.44 O +ATOM 95 CB LYS H 13 -6.077 -3.855 32.089 1.00 50.82 C +ATOM 96 CG LYS H 13 -6.902 -2.690 32.611 1.00 55.30 C +ATOM 97 CD LYS H 13 -7.060 -2.749 34.123 1.00 62.61 C +ATOM 98 CE LYS H 13 -8.192 -1.852 34.600 1.00 64.69 C +ATOM 99 NZ LYS H 13 -8.052 -0.456 34.104 1.00 63.33 N +ATOM 100 N PRO H 14 -4.088 -6.081 33.334 1.00 41.07 N +ATOM 101 CA PRO H 14 -3.624 -7.462 33.166 1.00 38.06 C +ATOM 102 C PRO H 14 -4.290 -8.127 31.970 1.00 38.29 C +ATOM 103 O PRO H 14 -5.493 -7.981 31.743 1.00 35.89 O +ATOM 104 CB PRO H 14 -4.025 -8.133 34.483 1.00 38.51 C +ATOM 105 CG PRO H 14 -4.072 -7.028 35.467 1.00 38.92 C +ATOM 106 CD PRO H 14 -4.528 -5.813 34.714 1.00 41.87 C +ATOM 107 N GLY H 15 -3.491 -8.865 31.200 1.00 33.78 N +ATOM 108 CA GLY H 15 -3.982 -9.565 30.034 1.00 39.29 C +ATOM 109 C GLY H 15 -4.032 -8.740 28.766 1.00 35.66 C +ATOM 110 O GLY H 15 -4.212 -9.311 27.683 1.00 34.43 O +ATOM 111 N ALA H 16 -3.878 -7.424 28.860 1.00 30.50 N +ATOM 112 CA ALA H 16 -3.903 -6.565 27.685 1.00 34.02 C +ATOM 113 C ALA H 16 -2.551 -6.645 26.978 1.00 34.79 C +ATOM 114 O ALA H 16 -1.674 -7.434 27.342 1.00 32.17 O +ATOM 115 CB ALA H 16 -4.263 -5.136 28.084 1.00 30.04 C +ATOM 116 N SER H 17 -2.369 -5.824 25.947 1.00 32.31 N +ATOM 117 CA SER H 17 -1.110 -5.750 25.224 1.00 34.98 C +ATOM 118 C SER H 17 -0.706 -4.291 25.078 1.00 36.39 C +ATOM 119 O SER H 17 -1.536 -3.383 25.160 1.00 35.58 O +ATOM 120 CB SER H 17 -1.206 -6.409 23.840 1.00 35.37 C +ATOM 121 OG SER H 17 -1.980 -5.619 22.955 1.00 46.31 O +ATOM 122 N VAL H 18 0.589 -4.076 24.863 1.00 37.32 N +ATOM 123 CA VAL H 18 1.138 -2.738 24.690 1.00 34.34 C +ATOM 124 C VAL H 18 2.173 -2.783 23.578 1.00 35.95 C +ATOM 125 O VAL H 18 2.894 -3.774 23.422 1.00 34.51 O +ATOM 126 CB VAL H 18 1.758 -2.201 25.997 1.00 41.51 C +ATOM 127 CG1 VAL H 18 2.908 -3.088 26.459 1.00 42.00 C +ATOM 128 CG2 VAL H 18 2.219 -0.762 25.819 1.00 46.36 C +ATOM 129 N LYS H 19 2.247 -1.701 22.809 1.00 32.25 N +ATOM 130 CA LYS H 19 3.190 -1.570 21.704 1.00 31.67 C +ATOM 131 C LYS H 19 4.027 -0.323 21.956 1.00 32.54 C +ATOM 132 O LYS H 19 3.508 0.797 21.905 1.00 37.86 O +ATOM 133 CB LYS H 19 2.453 -1.480 20.369 1.00 33.97 C +ATOM 134 CG LYS H 19 3.356 -1.519 19.152 1.00 40.56 C +ATOM 135 CD LYS H 19 2.551 -1.387 17.870 1.00 51.05 C +ATOM 136 CE LYS H 19 3.401 -1.691 16.651 1.00 61.75 C +ATOM 137 NZ LYS H 19 2.782 -1.201 15.390 1.00 67.59 N +ATOM 138 N ILE H 20 5.312 -0.516 22.239 1.00 30.18 N +ATOM 139 CA ILE H 20 6.225 0.589 22.497 1.00 34.12 C +ATOM 140 C ILE H 20 7.158 0.730 21.303 1.00 32.61 C +ATOM 141 O ILE H 20 7.467 -0.246 20.610 1.00 25.29 O +ATOM 142 CB ILE H 20 7.012 0.397 23.812 1.00 39.21 C +ATOM 143 CG1 ILE H 20 8.037 -0.735 23.697 1.00 40.74 C +ATOM 144 CG2 ILE H 20 6.041 0.113 24.956 1.00 47.69 C +ATOM 145 CD1 ILE H 20 8.924 -0.871 24.923 1.00 48.00 C +ATOM 146 N SER H 21 7.600 1.959 21.061 1.00 22.02 N +ATOM 147 CA SER H 21 8.333 2.298 19.852 1.00 25.16 C +ATOM 148 C SER H 21 9.714 2.840 20.197 1.00 26.27 C +ATOM 149 O SER H 21 10.008 3.208 21.338 1.00 24.35 O +ATOM 150 CB SER H 21 7.561 3.322 19.013 1.00 22.09 C +ATOM 151 OG SER H 21 7.352 4.519 19.742 1.00 33.73 O +ATOM 152 N CYS H 22 10.561 2.885 19.171 1.00 32.34 N +ATOM 153 CA CYS H 22 11.957 3.290 19.315 1.00 32.28 C +ATOM 154 C CYS H 22 12.362 3.915 17.983 1.00 30.93 C +ATOM 155 O CYS H 22 12.589 3.196 17.006 1.00 28.42 O +ATOM 156 CB CYS H 22 12.831 2.093 19.670 1.00 42.15 C +ATOM 157 SG CYS H 22 14.614 2.402 19.826 1.00 48.10 S +ATOM 158 N LYS H 23 12.428 5.243 17.942 1.00 35.44 N +ATOM 159 CA LYS H 23 12.771 5.960 16.720 1.00 36.88 C +ATOM 160 C LYS H 23 14.276 6.192 16.677 1.00 29.46 C +ATOM 161 O LYS H 23 14.842 6.810 17.584 1.00 28.83 O +ATOM 162 CB LYS H 23 12.016 7.285 16.634 1.00 36.00 C +ATOM 163 CG LYS H 23 12.355 8.105 15.396 1.00 46.61 C +ATOM 164 CD LYS H 23 11.262 9.112 15.073 1.00 55.96 C +ATOM 165 CE LYS H 23 11.759 10.194 14.126 1.00 66.92 C +ATOM 166 NZ LYS H 23 12.366 9.637 12.886 1.00 74.65 N +ATOM 167 N ALA H 24 14.917 5.689 15.627 1.00 25.14 N +ATOM 168 CA ALA H 24 16.356 5.805 15.453 1.00 30.36 C +ATOM 169 C ALA H 24 16.672 6.924 14.472 1.00 38.16 C +ATOM 170 O ALA H 24 15.953 7.126 13.489 1.00 42.39 O +ATOM 171 CB ALA H 24 16.945 4.487 14.949 1.00 34.79 C +ATOM 172 N THR H 25 17.748 7.658 14.749 1.00 33.68 N +ATOM 173 CA THR H 25 18.194 8.726 13.868 1.00 33.62 C +ATOM 174 C THR H 25 19.709 8.837 13.956 1.00 30.63 C +ATOM 175 O THR H 25 20.316 8.463 14.963 1.00 25.64 O +ATOM 176 CB THR H 25 17.550 10.074 14.224 1.00 38.85 C +ATOM 177 OG1 THR H 25 17.780 10.373 15.607 1.00 43.31 O +ATOM 178 CG2 THR H 25 16.050 10.051 13.953 1.00 46.39 C +ATOM 179 N GLY H 26 20.310 9.351 12.887 1.00 31.86 N +ATOM 180 CA GLY H 26 21.735 9.596 12.849 1.00 30.05 C +ATOM 181 C GLY H 26 22.566 8.537 12.162 1.00 29.34 C +ATOM 182 O GLY H 26 23.798 8.638 12.184 1.00 34.23 O +ATOM 183 N TYR H 27 21.943 7.532 11.550 1.00 34.72 N +ATOM 184 CA TYR H 27 22.689 6.462 10.901 1.00 29.25 C +ATOM 185 C TYR H 27 21.754 5.708 9.966 1.00 29.51 C +ATOM 186 O TYR H 27 20.542 5.932 9.950 1.00 27.61 O +ATOM 187 CB TYR H 27 23.305 5.512 11.931 1.00 30.47 C +ATOM 188 CG TYR H 27 22.285 4.663 12.654 1.00 25.87 C +ATOM 189 CD1 TYR H 27 22.057 3.347 12.276 1.00 28.17 C +ATOM 190 CD2 TYR H 27 21.542 5.180 13.706 1.00 25.27 C +ATOM 191 CE1 TYR H 27 21.122 2.565 12.931 1.00 27.33 C +ATOM 192 CE2 TYR H 27 20.606 4.408 14.368 1.00 28.09 C +ATOM 193 CZ TYR H 27 20.398 3.101 13.976 1.00 32.78 C +ATOM 194 OH TYR H 27 19.466 2.329 14.632 1.00 29.72 O +ATOM 195 N THR H 28 22.340 4.803 9.183 1.00 37.10 N +ATOM 196 CA THR H 28 21.574 3.962 8.268 1.00 39.23 C +ATOM 197 C THR H 28 20.795 2.929 9.075 1.00 32.47 C +ATOM 198 O THR H 28 21.377 1.990 9.628 1.00 27.92 O +ATOM 199 CB THR H 28 22.505 3.288 7.264 1.00 38.88 C +ATOM 200 OG1 THR H 28 23.282 4.286 6.592 1.00 46.18 O +ATOM 201 CG2 THR H 28 21.709 2.494 6.234 1.00 34.52 C +ATOM 202 N PHE H 29 19.473 3.099 9.132 1.00 27.54 N +ATOM 203 CA PHE H 29 18.638 2.282 10.005 1.00 23.75 C +ATOM 204 C PHE H 29 18.779 0.792 9.710 1.00 27.63 C +ATOM 205 O PHE H 29 18.639 -0.035 10.619 1.00 24.78 O +ATOM 206 CB PHE H 29 17.181 2.724 9.857 1.00 25.61 C +ATOM 207 CG PHE H 29 16.248 2.128 10.871 1.00 26.81 C +ATOM 208 CD1 PHE H 29 16.570 2.121 12.216 1.00 28.24 C +ATOM 209 CD2 PHE H 29 15.031 1.602 10.477 1.00 31.22 C +ATOM 210 CE1 PHE H 29 15.703 1.583 13.148 1.00 31.51 C +ATOM 211 CE2 PHE H 29 14.157 1.069 11.403 1.00 32.36 C +ATOM 212 CZ PHE H 29 14.495 1.056 12.740 1.00 30.81 C +ATOM 213 N SER H 30 19.062 0.429 8.462 1.00 29.89 N +ATOM 214 CA SER H 30 19.047 -0.966 8.037 1.00 36.13 C +ATOM 215 C SER H 30 20.371 -1.688 8.264 1.00 36.35 C +ATOM 216 O SER H 30 20.449 -2.894 8.003 1.00 33.17 O +ATOM 217 CB SER H 30 18.677 -1.052 6.553 1.00 34.82 C +ATOM 218 OG SER H 30 19.660 -0.423 5.751 1.00 38.78 O +ATOM 219 N GLY H 31 21.405 -0.999 8.740 1.00 28.25 N +ATOM 220 CA GLY H 31 22.720 -1.586 8.881 1.00 27.71 C +ATOM 221 C GLY H 31 23.090 -2.068 10.265 1.00 28.36 C +ATOM 222 O GLY H 31 24.174 -2.632 10.435 1.00 34.11 O +ATOM 223 N HIS H 32 22.233 -1.865 11.262 1.00 28.90 N +ATOM 224 CA HIS H 32 22.519 -2.268 12.631 1.00 27.79 C +ATOM 225 C HIS H 32 21.311 -2.984 13.211 1.00 26.23 C +ATOM 226 O HIS H 32 20.167 -2.627 12.917 1.00 29.83 O +ATOM 227 CB HIS H 32 22.868 -1.059 13.518 1.00 27.33 C +ATOM 228 CG HIS H 32 24.099 -0.322 13.089 1.00 33.82 C +ATOM 229 ND1 HIS H 32 25.238 -0.264 13.863 1.00 31.32 N +ATOM 230 CD2 HIS H 32 24.366 0.396 11.972 1.00 32.38 C +ATOM 231 CE1 HIS H 32 26.155 0.454 13.240 1.00 28.10 C +ATOM 232 NE2 HIS H 32 25.652 0.865 12.091 1.00 33.12 N +ATOM 233 N TRP H 33 21.570 -3.990 14.038 1.00 22.92 N +ATOM 234 CA TRP H 33 20.504 -4.661 14.764 1.00 27.08 C +ATOM 235 C TRP H 33 20.016 -3.787 15.913 1.00 28.94 C +ATOM 236 O TRP H 33 20.789 -3.055 16.538 1.00 26.72 O +ATOM 237 CB TRP H 33 20.984 -6.004 15.315 1.00 30.72 C +ATOM 238 CG TRP H 33 21.313 -7.028 14.269 1.00 22.08 C +ATOM 239 CD1 TRP H 33 22.442 -7.089 13.508 1.00 25.84 C +ATOM 240 CD2 TRP H 33 20.508 -8.149 13.884 1.00 23.84 C +ATOM 241 NE1 TRP H 33 22.387 -8.175 12.666 1.00 26.89 N +ATOM 242 CE2 TRP H 33 21.209 -8.841 12.878 1.00 22.64 C +ATOM 243 CE3 TRP H 33 19.259 -8.631 14.288 1.00 25.68 C +ATOM 244 CZ2 TRP H 33 20.703 -9.990 12.272 1.00 29.63 C +ATOM 245 CZ3 TRP H 33 18.760 -9.771 13.686 1.00 25.68 C +ATOM 246 CH2 TRP H 33 19.480 -10.437 12.689 1.00 26.24 C +ATOM 247 N ILE H 34 18.717 -3.872 16.187 1.00 27.89 N +ATOM 248 CA ILE H 34 18.095 -3.201 17.324 1.00 24.41 C +ATOM 249 C ILE H 34 17.812 -4.258 18.383 1.00 19.39 C +ATOM 250 O ILE H 34 17.109 -5.240 18.118 1.00 24.33 O +ATOM 251 CB ILE H 34 16.804 -2.470 16.922 1.00 29.81 C +ATOM 252 CG1 ILE H 34 17.102 -1.365 15.900 1.00 32.95 C +ATOM 253 CG2 ILE H 34 16.103 -1.899 18.156 1.00 35.80 C +ATOM 254 CD1 ILE H 34 17.860 -0.170 16.457 1.00 30.04 C +ATOM 255 N GLU H 35 18.351 -4.053 19.578 1.00 21.80 N +ATOM 256 CA GLU H 35 18.150 -4.959 20.697 1.00 27.32 C +ATOM 257 C GLU H 35 17.029 -4.444 21.591 1.00 34.08 C +ATOM 258 O GLU H 35 16.743 -3.245 21.632 1.00 27.96 O +ATOM 259 CB GLU H 35 19.433 -5.104 21.519 1.00 23.58 C +ATOM 260 CG GLU H 35 20.696 -5.245 20.688 1.00 30.43 C +ATOM 261 CD GLU H 35 20.780 -6.577 19.979 1.00 37.36 C +ATOM 262 OE1 GLU H 35 20.501 -7.616 20.617 1.00 33.87 O +ATOM 263 OE2 GLU H 35 21.110 -6.586 18.773 1.00 41.16 O +ATOM 264 N TRP H 36 16.397 -5.366 22.311 1.00 26.43 N +ATOM 265 CA TRP H 36 15.386 -5.028 23.299 1.00 26.41 C +ATOM 266 C TRP H 36 15.726 -5.719 24.610 1.00 30.08 C +ATOM 267 O TRP H 36 16.107 -6.894 24.625 1.00 24.35 O +ATOM 268 CB TRP H 36 13.986 -5.429 22.835 1.00 28.95 C +ATOM 269 CG TRP H 36 13.460 -4.574 21.721 1.00 28.03 C +ATOM 270 CD1 TRP H 36 13.549 -4.824 20.384 1.00 29.41 C +ATOM 271 CD2 TRP H 36 12.760 -3.331 21.851 1.00 26.44 C +ATOM 272 NE1 TRP H 36 12.947 -3.815 19.672 1.00 27.12 N +ATOM 273 CE2 TRP H 36 12.454 -2.886 20.551 1.00 29.71 C +ATOM 274 CE3 TRP H 36 12.361 -2.551 22.942 1.00 30.04 C +ATOM 275 CZ2 TRP H 36 11.769 -1.696 20.310 1.00 22.07 C +ATOM 276 CZ3 TRP H 36 11.681 -1.371 22.701 1.00 24.74 C +ATOM 277 CH2 TRP H 36 11.391 -0.956 21.396 1.00 28.92 C +ATOM 278 N VAL H 37 15.580 -4.980 25.706 1.00 22.48 N +ATOM 279 CA VAL H 37 16.058 -5.408 27.012 1.00 23.84 C +ATOM 280 C VAL H 37 15.025 -5.037 28.067 1.00 28.70 C +ATOM 281 O VAL H 37 14.295 -4.051 27.929 1.00 31.33 O +ATOM 282 CB VAL H 37 17.434 -4.772 27.316 1.00 29.29 C +ATOM 283 CG1 VAL H 37 17.744 -4.814 28.791 1.00 37.98 C +ATOM 284 CG2 VAL H 37 18.527 -5.491 26.529 1.00 32.52 C +ATOM 285 N LYS H 38 14.974 -5.837 29.132 1.00 30.57 N +ATOM 286 CA LYS H 38 14.017 -5.667 30.220 1.00 26.08 C +ATOM 287 C LYS H 38 14.778 -5.537 31.530 1.00 25.15 C +ATOM 288 O LYS H 38 15.580 -6.412 31.874 1.00 28.95 O +ATOM 289 CB LYS H 38 13.049 -6.851 30.275 1.00 27.90 C +ATOM 290 CG LYS H 38 12.101 -6.861 31.465 1.00 31.51 C +ATOM 291 CD LYS H 38 11.281 -8.141 31.474 1.00 30.62 C +ATOM 292 CE LYS H 38 10.337 -8.207 32.662 1.00 30.01 C +ATOM 293 NZ LYS H 38 9.590 -9.494 32.694 1.00 27.16 N +ATOM 294 N GLN H 39 14.524 -4.454 32.261 1.00 27.79 N +ATOM 295 CA GLN H 39 15.179 -4.197 33.539 1.00 29.42 C +ATOM 296 C GLN H 39 14.122 -4.087 34.627 1.00 31.88 C +ATOM 297 O GLN H 39 13.208 -3.260 34.527 1.00 32.17 O +ATOM 298 CB GLN H 39 16.020 -2.921 33.481 1.00 29.81 C +ATOM 299 CG GLN H 39 16.889 -2.711 34.710 1.00 39.08 C +ATOM 300 CD GLN H 39 17.922 -1.620 34.515 1.00 41.45 C +ATOM 301 OE1 GLN H 39 17.587 -0.485 34.175 1.00 38.24 O +ATOM 302 NE2 GLN H 39 19.190 -1.963 34.723 1.00 41.74 N +ATOM 303 N ARG H 40 14.252 -4.916 35.663 1.00 38.17 N +ATOM 304 CA ARG H 40 13.383 -4.861 36.824 1.00 40.99 C +ATOM 305 C ARG H 40 14.204 -4.669 38.094 1.00 46.85 C +ATOM 306 O ARG H 40 15.298 -5.231 38.207 1.00 44.81 O +ATOM 307 CB ARG H 40 12.553 -6.142 36.961 1.00 38.34 C +ATOM 308 CG ARG H 40 11.330 -6.178 36.079 1.00 39.90 C +ATOM 309 CD ARG H 40 10.386 -7.277 36.514 1.00 44.97 C +ATOM 310 NE ARG H 40 11.012 -8.593 36.443 1.00 48.35 N +ATOM 311 CZ ARG H 40 10.538 -9.680 37.044 1.00 52.16 C +ATOM 312 NH1 ARG H 40 9.432 -9.613 37.774 1.00 54.10 N +ATOM 313 NH2 ARG H 40 11.176 -10.836 36.920 1.00 49.36 N +ATOM 314 N PRO H 41 13.713 -3.895 39.063 1.00 52.20 N +ATOM 315 CA PRO H 41 14.425 -3.793 40.343 1.00 53.76 C +ATOM 316 C PRO H 41 14.567 -5.159 40.999 1.00 48.41 C +ATOM 317 O PRO H 41 13.640 -5.972 40.995 1.00 47.44 O +ATOM 318 CB PRO H 41 13.539 -2.856 41.173 1.00 58.40 C +ATOM 319 CG PRO H 41 12.751 -2.087 40.173 1.00 59.19 C +ATOM 320 CD PRO H 41 12.530 -3.017 39.022 1.00 57.46 C +ATOM 321 N GLY H 42 15.746 -5.406 41.565 1.00 48.11 N +ATOM 322 CA GLY H 42 16.013 -6.680 42.200 1.00 50.62 C +ATOM 323 C GLY H 42 16.255 -7.827 41.248 1.00 52.70 C +ATOM 324 O GLY H 42 16.397 -8.966 41.701 1.00 54.37 O +ATOM 325 N HIS H 43 16.304 -7.567 39.944 1.00 51.58 N +ATOM 326 CA HIS H 43 16.565 -8.594 38.949 1.00 46.88 C +ATOM 327 C HIS H 43 17.642 -8.113 37.991 1.00 39.01 C +ATOM 328 O HIS H 43 17.773 -6.915 37.726 1.00 32.94 O +ATOM 329 CB HIS H 43 15.304 -8.955 38.156 1.00 44.58 C +ATOM 330 CG HIS H 43 14.228 -9.581 38.984 1.00 48.65 C +ATOM 331 ND1 HIS H 43 13.214 -8.849 39.564 1.00 53.80 N +ATOM 332 CD2 HIS H 43 14.008 -10.871 39.332 1.00 50.26 C +ATOM 333 CE1 HIS H 43 12.414 -9.661 40.231 1.00 54.67 C +ATOM 334 NE2 HIS H 43 12.874 -10.894 40.107 1.00 56.64 N +ATOM 335 N GLY H 44 18.415 -9.063 37.476 1.00 34.56 N +ATOM 336 CA GLY H 44 19.399 -8.739 36.470 1.00 29.22 C +ATOM 337 C GLY H 44 18.760 -8.399 35.138 1.00 28.68 C +ATOM 338 O GLY H 44 17.604 -8.716 34.860 1.00 33.47 O +ATOM 339 N LEU H 45 19.542 -7.728 34.301 1.00 35.12 N +ATOM 340 CA LEU H 45 19.080 -7.365 32.971 1.00 31.61 C +ATOM 341 C LEU H 45 18.765 -8.617 32.155 1.00 33.82 C +ATOM 342 O LEU H 45 19.500 -9.608 32.197 1.00 28.79 O +ATOM 343 CB LEU H 45 20.151 -6.522 32.278 1.00 37.43 C +ATOM 344 CG LEU H 45 19.675 -5.428 31.326 1.00 46.13 C +ATOM 345 CD1 LEU H 45 18.848 -4.366 32.050 1.00 45.43 C +ATOM 346 CD2 LEU H 45 20.867 -4.785 30.629 1.00 53.09 C +ATOM 347 N GLU H 46 17.662 -8.568 31.407 1.00 24.08 N +ATOM 348 CA GLU H 46 17.200 -9.694 30.603 1.00 24.36 C +ATOM 349 C GLU H 46 17.121 -9.292 29.137 1.00 20.34 C +ATOM 350 O GLU H 46 16.492 -8.286 28.796 1.00 26.56 O +ATOM 351 CB GLU H 46 15.828 -10.189 31.071 1.00 34.90 C +ATOM 352 CG GLU H 46 15.836 -10.917 32.404 1.00 42.53 C +ATOM 353 CD GLU H 46 14.495 -11.549 32.722 1.00 52.75 C +ATOM 354 OE1 GLU H 46 13.533 -10.803 33.002 1.00 57.64 O +ATOM 355 OE2 GLU H 46 14.397 -12.794 32.677 1.00 56.92 O +ATOM 356 N TRP H 47 17.746 -10.089 28.278 1.00 26.38 N +ATOM 357 CA TRP H 47 17.672 -9.886 26.838 1.00 26.25 C +ATOM 358 C TRP H 47 16.364 -10.460 26.307 1.00 28.93 C +ATOM 359 O TRP H 47 16.046 -11.629 26.548 1.00 27.45 O +ATOM 360 CB TRP H 47 18.869 -10.555 26.163 1.00 30.32 C +ATOM 361 CG TRP H 47 19.019 -10.279 24.698 1.00 31.12 C +ATOM 362 CD1 TRP H 47 19.347 -9.089 24.116 1.00 26.94 C +ATOM 363 CD2 TRP H 47 18.880 -11.223 23.630 1.00 31.23 C +ATOM 364 NE1 TRP H 47 19.408 -9.231 22.752 1.00 25.51 N +ATOM 365 CE2 TRP H 47 19.125 -10.532 22.427 1.00 27.29 C +ATOM 366 CE3 TRP H 47 18.564 -12.585 23.572 1.00 30.49 C +ATOM 367 CZ2 TRP H 47 19.066 -11.153 21.183 1.00 23.09 C +ATOM 368 CZ3 TRP H 47 18.502 -13.200 22.335 1.00 29.91 C +ATOM 369 CH2 TRP H 47 18.753 -12.484 21.157 1.00 27.12 C +ATOM 370 N ILE H 48 15.599 -9.633 25.598 1.00 27.18 N +ATOM 371 CA ILE H 48 14.331 -10.072 25.020 1.00 22.39 C +ATOM 372 C ILE H 48 14.530 -10.617 23.615 1.00 29.74 C +ATOM 373 O ILE H 48 14.017 -11.686 23.271 1.00 24.59 O +ATOM 374 CB ILE H 48 13.308 -8.916 25.021 1.00 28.55 C +ATOM 375 CG1 ILE H 48 13.043 -8.426 26.448 1.00 23.83 C +ATOM 376 CG2 ILE H 48 11.998 -9.364 24.355 1.00 19.06 C +ATOM 377 CD1 ILE H 48 12.122 -7.212 26.518 1.00 25.59 C +ATOM 378 N GLY H 49 15.266 -9.892 22.780 1.00 28.09 N +ATOM 379 CA GLY H 49 15.480 -10.336 21.417 1.00 30.81 C +ATOM 380 C GLY H 49 16.085 -9.236 20.568 1.00 23.76 C +ATOM 381 O GLY H 49 16.671 -8.284 21.085 1.00 27.37 O +ATOM 382 N GLU H 50 15.899 -9.371 19.257 1.00 24.47 N +ATOM 383 CA GLU H 50 16.727 -8.675 18.285 1.00 21.00 C +ATOM 384 C GLU H 50 15.975 -8.579 16.968 1.00 18.98 C +ATOM 385 O GLU H 50 15.282 -9.521 16.579 1.00 27.06 O +ATOM 386 CB GLU H 50 18.042 -9.434 18.081 1.00 31.19 C +ATOM 387 CG GLU H 50 19.228 -8.580 17.757 1.00 41.05 C +ATOM 388 CD GLU H 50 20.509 -9.394 17.687 1.00 39.78 C +ATOM 389 OE1 GLU H 50 20.421 -10.631 17.551 1.00 35.20 O +ATOM 390 OE2 GLU H 50 21.602 -8.798 17.776 1.00 44.99 O +ATOM 391 N ILE H 51 16.133 -7.454 16.277 1.00 18.90 N +ATOM 392 CA ILE H 51 15.573 -7.278 14.943 1.00 24.51 C +ATOM 393 C ILE H 51 16.552 -6.468 14.105 1.00 24.86 C +ATOM 394 O ILE H 51 17.142 -5.494 14.584 1.00 23.83 O +ATOM 395 CB ILE H 51 14.190 -6.591 14.977 1.00 30.23 C +ATOM 396 CG1 ILE H 51 13.599 -6.529 13.565 1.00 29.74 C +ATOM 397 CG2 ILE H 51 14.297 -5.186 15.569 1.00 30.05 C +ATOM 398 CD1 ILE H 51 12.137 -6.118 13.520 1.00 32.04 C +ATOM 399 N LEU H 52 16.725 -6.879 12.848 1.00 25.34 N +ATOM 400 CA LEU H 52 17.510 -6.126 11.882 1.00 27.28 C +ATOM 401 C LEU H 52 16.542 -5.376 10.976 1.00 24.64 C +ATOM 402 O LEU H 52 15.960 -5.984 10.065 1.00 24.42 O +ATOM 403 CB LEU H 52 18.409 -7.056 11.064 1.00 22.05 C +ATOM 404 CG LEU H 52 19.287 -6.406 9.990 1.00 25.47 C +ATOM 405 CD1 LEU H 52 20.141 -5.278 10.563 1.00 28.62 C +ATOM 406 CD2 LEU H 52 20.166 -7.460 9.340 1.00 25.49 C +ATOM 407 N PRO H 52a 16.324 -4.075 11.180 1.00 24.82 N +ATOM 408 CA PRO H 52a 15.273 -3.378 10.426 1.00 23.78 C +ATOM 409 C PRO H 52a 15.454 -3.504 8.920 1.00 29.22 C +ATOM 410 O PRO H 52a 16.563 -3.395 8.393 1.00 25.79 O +ATOM 411 CB PRO H 52a 15.415 -1.924 10.888 1.00 30.39 C +ATOM 412 CG PRO H 52a 16.056 -2.013 12.228 1.00 29.81 C +ATOM 413 CD PRO H 52a 16.979 -3.189 12.157 1.00 25.97 C +ATOM 414 N GLY H 53 14.337 -3.732 8.228 1.00 33.57 N +ATOM 415 CA GLY H 53 14.325 -3.824 6.786 1.00 33.10 C +ATOM 416 C GLY H 53 14.580 -5.206 6.228 1.00 36.70 C +ATOM 417 O GLY H 53 14.309 -5.434 5.043 1.00 35.35 O +ATOM 418 N SER H 54 15.083 -6.137 7.041 1.00 34.81 N +ATOM 419 CA SER H 54 15.464 -7.457 6.559 1.00 29.46 C +ATOM 420 C SER H 54 14.477 -8.550 6.940 1.00 28.23 C +ATOM 421 O SER H 54 14.515 -9.630 6.342 1.00 26.20 O +ATOM 422 CB SER H 54 16.846 -7.836 7.102 1.00 33.83 C +ATOM 423 OG SER H 54 16.788 -8.086 8.497 1.00 28.34 O +ATOM 424 N GLY H 55 13.599 -8.301 7.908 1.00 25.62 N +ATOM 425 CA GLY H 55 12.712 -9.327 8.406 1.00 27.57 C +ATOM 426 C GLY H 55 13.368 -10.345 9.311 1.00 25.05 C +ATOM 427 O GLY H 55 12.707 -11.312 9.708 1.00 27.53 O +ATOM 428 N ASN H 56 14.643 -10.163 9.649 1.00 23.49 N +ATOM 429 CA ASN H 56 15.368 -11.103 10.494 1.00 22.25 C +ATOM 430 C ASN H 56 15.140 -10.742 11.955 1.00 21.99 C +ATOM 431 O ASN H 56 15.425 -9.613 12.374 1.00 25.16 O +ATOM 432 CB ASN H 56 16.858 -11.088 10.157 1.00 29.03 C +ATOM 433 CG ASN H 56 17.138 -11.563 8.746 1.00 29.58 C +ATOM 434 OD1 ASN H 56 16.385 -12.361 8.189 1.00 29.13 O +ATOM 435 ND2 ASN H 56 18.223 -11.072 8.158 1.00 31.11 N +ATOM 436 N ILE H 57 14.629 -11.698 12.726 1.00 23.38 N +ATOM 437 CA ILE H 57 14.249 -11.471 14.114 1.00 27.05 C +ATOM 438 C ILE H 57 14.733 -12.644 14.953 1.00 24.80 C +ATOM 439 O ILE H 57 14.607 -13.806 14.551 1.00 33.89 O +ATOM 440 CB ILE H 57 12.722 -11.290 14.261 1.00 32.42 C +ATOM 441 CG1 ILE H 57 12.252 -10.071 13.461 1.00 28.91 C +ATOM 442 CG2 ILE H 57 12.340 -11.143 15.731 1.00 39.03 C +ATOM 443 CD1 ILE H 57 10.743 -9.899 13.419 1.00 32.91 C +ATOM 444 N HIS H 58 15.288 -12.335 16.120 1.00 24.00 N +ATOM 445 CA HIS H 58 15.641 -13.329 17.121 1.00 19.69 C +ATOM 446 C HIS H 58 14.881 -13.029 18.402 1.00 28.27 C +ATOM 447 O HIS H 58 14.754 -11.866 18.801 1.00 30.32 O +ATOM 448 CB HIS H 58 17.141 -13.330 17.417 1.00 19.99 C +ATOM 449 CG HIS H 58 17.998 -13.549 16.212 1.00 29.64 C +ATOM 450 ND1 HIS H 58 19.189 -12.882 16.019 1.00 37.11 N +ATOM 451 CD2 HIS H 58 17.847 -14.366 15.144 1.00 35.94 C +ATOM 452 CE1 HIS H 58 19.731 -13.275 14.881 1.00 40.65 C +ATOM 453 NE2 HIS H 58 18.937 -14.176 14.332 1.00 37.34 N +ATOM 454 N TYR H 59 14.379 -14.077 19.043 1.00 28.95 N +ATOM 455 CA TYR H 59 13.715 -13.958 20.331 1.00 31.36 C +ATOM 456 C TYR H 59 14.436 -14.817 21.357 1.00 29.68 C +ATOM 457 O TYR H 59 14.859 -15.937 21.057 1.00 34.03 O +ATOM 458 CB TYR H 59 12.248 -14.392 20.256 1.00 34.78 C +ATOM 459 CG TYR H 59 11.374 -13.513 19.394 1.00 32.28 C +ATOM 460 CD1 TYR H 59 10.976 -12.257 19.829 1.00 34.46 C +ATOM 461 CD2 TYR H 59 10.929 -13.948 18.153 1.00 31.38 C +ATOM 462 CE1 TYR H 59 10.170 -11.452 19.047 1.00 37.84 C +ATOM 463 CE2 TYR H 59 10.123 -13.152 17.364 1.00 29.11 C +ATOM 464 CZ TYR H 59 9.745 -11.905 17.816 1.00 34.52 C +ATOM 465 OH TYR H 59 8.942 -11.104 17.033 1.00 31.16 O +ATOM 466 N ASN H 60 14.587 -14.279 22.562 1.00 30.40 N +ATOM 467 CA ASN H 60 14.921 -15.110 23.705 1.00 28.18 C +ATOM 468 C ASN H 60 13.769 -16.072 23.962 1.00 31.62 C +ATOM 469 O ASN H 60 12.611 -15.655 24.058 1.00 31.02 O +ATOM 470 CB ASN H 60 15.183 -14.238 24.934 1.00 32.52 C +ATOM 471 CG ASN H 60 15.710 -15.030 26.116 1.00 25.17 C +ATOM 472 OD1 ASN H 60 15.527 -16.242 26.198 1.00 25.35 O +ATOM 473 ND2 ASN H 60 16.366 -14.343 27.042 1.00 25.97 N +ATOM 474 N GLU H 61 14.084 -17.367 24.051 1.00 36.88 N +ATOM 475 CA GLU H 61 13.038 -18.373 24.204 1.00 37.83 C +ATOM 476 C GLU H 61 12.108 -18.031 25.360 1.00 32.26 C +ATOM 477 O GLU H 61 10.901 -18.282 25.290 1.00 28.02 O +ATOM 478 CB GLU H 61 13.662 -19.754 24.412 1.00 43.03 C +ATOM 479 CG GLU H 61 12.875 -20.889 23.770 1.00 59.07 C +ATOM 480 CD GLU H 61 13.025 -20.926 22.260 1.00 68.77 C +ATOM 481 OE1 GLU H 61 13.898 -20.208 21.729 1.00 76.17 O +ATOM 482 OE2 GLU H 61 12.269 -21.674 21.605 1.00 71.89 O +ATOM 483 N LYS H 62 12.649 -17.439 26.428 1.00 32.38 N +ATOM 484 CA LYS H 62 11.820 -17.053 27.565 1.00 33.91 C +ATOM 485 C LYS H 62 10.758 -16.025 27.192 1.00 33.86 C +ATOM 486 O LYS H 62 9.763 -15.895 27.912 1.00 36.77 O +ATOM 487 CB LYS H 62 12.696 -16.502 28.692 1.00 35.42 C +ATOM 488 CG LYS H 62 13.580 -17.544 29.353 1.00 43.65 C +ATOM 489 CD LYS H 62 14.377 -16.949 30.502 1.00 52.21 C +ATOM 490 CE LYS H 62 15.300 -17.981 31.129 1.00 57.96 C +ATOM 491 NZ LYS H 62 15.981 -17.455 32.344 1.00 64.04 N +ATOM 492 N PHE H 63 10.941 -15.296 26.090 1.00 29.65 N +ATOM 493 CA PHE H 63 10.000 -14.267 25.665 1.00 34.96 C +ATOM 494 C PHE H 63 9.316 -14.597 24.344 1.00 37.06 C +ATOM 495 O PHE H 63 8.674 -13.720 23.757 1.00 33.73 O +ATOM 496 CB PHE H 63 10.714 -12.919 25.548 1.00 31.08 C +ATOM 497 CG PHE H 63 11.189 -12.366 26.860 1.00 32.96 C +ATOM 498 CD1 PHE H 63 10.323 -11.668 27.684 1.00 36.05 C +ATOM 499 CD2 PHE H 63 12.502 -12.535 27.265 1.00 35.36 C +ATOM 500 CE1 PHE H 63 10.757 -11.153 28.890 1.00 34.66 C +ATOM 501 CE2 PHE H 63 12.941 -12.021 28.470 1.00 34.28 C +ATOM 502 CZ PHE H 63 12.067 -11.330 29.282 1.00 34.57 C +ATOM 503 N LYS H 64 9.431 -15.837 23.861 1.00 37.55 N +ATOM 504 CA LYS H 64 8.891 -16.167 22.545 1.00 48.44 C +ATOM 505 C LYS H 64 7.393 -15.890 22.474 1.00 45.70 C +ATOM 506 O LYS H 64 6.888 -15.425 21.445 1.00 49.59 O +ATOM 507 CB LYS H 64 9.182 -17.630 22.209 1.00 59.79 C +ATOM 508 CG LYS H 64 8.955 -17.993 20.746 1.00 73.99 C +ATOM 509 CD LYS H 64 9.963 -17.305 19.832 1.00 84.83 C +ATOM 510 CE LYS H 64 9.792 -17.723 18.379 1.00 89.28 C +ATOM 511 NZ LYS H 64 8.527 -17.205 17.784 1.00 89.66 N +ATOM 512 N GLY H 65 6.663 -16.169 23.556 1.00 39.86 N +ATOM 513 CA GLY H 65 5.233 -15.916 23.566 1.00 48.42 C +ATOM 514 C GLY H 65 4.846 -14.497 23.927 1.00 45.18 C +ATOM 515 O GLY H 65 3.729 -14.073 23.613 1.00 50.58 O +ATOM 516 N LYS H 66 5.744 -13.753 24.572 1.00 38.41 N +ATOM 517 CA LYS H 66 5.435 -12.418 25.070 1.00 40.74 C +ATOM 518 C LYS H 66 5.676 -11.332 24.026 1.00 37.92 C +ATOM 519 O LYS H 66 4.828 -10.455 23.833 1.00 37.24 O +ATOM 520 CB LYS H 66 6.272 -12.122 26.319 1.00 45.18 C +ATOM 521 CG LYS H 66 5.546 -12.372 27.626 1.00 59.56 C +ATOM 522 CD LYS H 66 4.556 -11.260 27.925 1.00 59.32 C +ATOM 523 CE LYS H 66 3.467 -11.730 28.872 1.00 62.07 C +ATOM 524 NZ LYS H 66 4.019 -12.278 30.139 1.00 69.97 N +ATOM 525 N ALA H 67 6.819 -11.376 23.350 1.00 32.33 N +ATOM 526 CA ALA H 67 7.295 -10.255 22.555 1.00 33.02 C +ATOM 527 C ALA H 67 7.098 -10.498 21.064 1.00 33.65 C +ATOM 528 O ALA H 67 7.190 -11.628 20.578 1.00 33.14 O +ATOM 529 CB ALA H 67 8.774 -9.990 22.837 1.00 31.57 C +ATOM 530 N THR H 68 6.827 -9.411 20.344 1.00 32.97 N +ATOM 531 CA THR H 68 6.787 -9.411 18.889 1.00 30.94 C +ATOM 532 C THR H 68 7.463 -8.141 18.399 1.00 29.28 C +ATOM 533 O THR H 68 7.077 -7.038 18.799 1.00 26.54 O +ATOM 534 CB THR H 68 5.350 -9.479 18.358 1.00 36.21 C +ATOM 535 OG1 THR H 68 4.683 -10.618 18.915 1.00 37.01 O +ATOM 536 CG2 THR H 68 5.344 -9.586 16.836 1.00 34.70 C +ATOM 537 N PHE H 69 8.465 -8.297 17.542 1.00 24.88 N +ATOM 538 CA PHE H 69 9.211 -7.170 17.005 1.00 18.33 C +ATOM 539 C PHE H 69 8.740 -6.836 15.597 1.00 20.78 C +ATOM 540 O PHE H 69 8.288 -7.702 14.845 1.00 28.44 O +ATOM 541 CB PHE H 69 10.712 -7.466 16.978 1.00 25.13 C +ATOM 542 CG PHE H 69 11.301 -7.753 18.328 1.00 29.60 C +ATOM 543 CD1 PHE H 69 10.898 -7.044 19.446 1.00 32.68 C +ATOM 544 CD2 PHE H 69 12.263 -8.735 18.477 1.00 32.42 C +ATOM 545 CE1 PHE H 69 11.442 -7.313 20.687 1.00 25.96 C +ATOM 546 CE2 PHE H 69 12.809 -9.006 19.711 1.00 32.63 C +ATOM 547 CZ PHE H 69 12.398 -8.294 20.819 1.00 27.70 C +ATOM 548 N ALA H 70 8.847 -5.556 15.255 1.00 27.16 N +ATOM 549 CA ALA H 70 8.600 -5.082 13.904 1.00 27.62 C +ATOM 550 C ALA H 70 9.404 -3.808 13.704 1.00 30.97 C +ATOM 551 O ALA H 70 9.778 -3.131 14.666 1.00 26.05 O +ATOM 552 CB ALA H 70 7.108 -4.833 13.648 1.00 26.95 C +ATOM 553 N ALA H 71 9.678 -3.490 12.442 1.00 27.61 N +ATOM 554 CA ALA H 71 10.462 -2.312 12.110 1.00 31.50 C +ATOM 555 C ALA H 71 9.890 -1.652 10.867 1.00 36.09 C +ATOM 556 O ALA H 71 9.496 -2.332 9.915 1.00 34.58 O +ATOM 557 CB ALA H 71 11.937 -2.666 11.892 1.00 37.35 C +ATOM 558 N ASP H 72 9.849 -0.324 10.889 1.00 37.45 N +ATOM 559 CA ASP H 72 9.313 0.485 9.797 1.00 43.29 C +ATOM 560 C ASP H 72 10.461 1.332 9.255 1.00 38.71 C +ATOM 561 O ASP H 72 10.866 2.315 9.883 1.00 33.31 O +ATOM 562 CB ASP H 72 8.148 1.342 10.285 1.00 56.05 C +ATOM 563 CG ASP H 72 7.647 2.307 9.229 1.00 71.85 C +ATOM 564 OD1 ASP H 72 7.860 2.042 8.027 1.00 77.65 O +ATOM 565 OD2 ASP H 72 7.036 3.330 9.604 1.00 77.30 O +ATOM 566 N THR H 72a 10.986 0.947 8.089 1.00 38.39 N +ATOM 567 CA THR H 72a 12.181 1.593 7.557 1.00 41.22 C +ATOM 568 C THR H 72a 11.903 2.989 7.013 1.00 46.90 C +ATOM 569 O THR H 72a 12.826 3.807 6.953 1.00 53.34 O +ATOM 570 CB THR H 72a 12.803 0.728 6.459 1.00 39.99 C +ATOM 571 OG1 THR H 72a 11.817 0.426 5.464 1.00 42.74 O +ATOM 572 CG2 THR H 72a 13.353 -0.567 7.046 1.00 35.11 C +ATOM 573 N SER H 72b 10.665 3.281 6.608 1.00 42.53 N +ATOM 574 CA SER H 72b 10.342 4.635 6.174 1.00 51.22 C +ATOM 575 C SER H 72b 10.290 5.595 7.354 1.00 50.67 C +ATOM 576 O SER H 72b 10.555 6.792 7.193 1.00 47.90 O +ATOM 577 CB SER H 72b 9.010 4.651 5.425 1.00 53.87 C +ATOM 578 OG SER H 72b 7.918 4.588 6.325 1.00 56.23 O +ATOM 579 N SER H 72c 9.958 5.091 8.541 1.00 50.51 N +ATOM 580 CA SER H 72c 9.872 5.905 9.744 1.00 49.83 C +ATOM 581 C SER H 72c 11.095 5.775 10.641 1.00 39.63 C +ATOM 582 O SER H 72c 11.198 6.510 11.629 1.00 36.32 O +ATOM 583 CB SER H 72c 8.620 5.525 10.545 1.00 52.93 C +ATOM 584 OG SER H 72c 8.508 6.309 11.718 1.00 60.62 O +ATOM 585 N ASN H 73 12.019 4.867 10.326 1.00 32.92 N +ATOM 586 CA ASN H 73 13.179 4.610 11.177 1.00 32.35 C +ATOM 587 C ASN H 73 12.745 4.280 12.604 1.00 25.96 C +ATOM 588 O ASN H 73 13.360 4.713 13.581 1.00 25.03 O +ATOM 589 CB ASN H 73 14.146 5.797 11.162 1.00 40.06 C +ATOM 590 CG ASN H 73 15.014 5.828 9.918 1.00 42.69 C +ATOM 591 OD1 ASN H 73 14.706 5.188 8.913 1.00 43.80 O +ATOM 592 ND2 ASN H 73 16.112 6.570 9.984 1.00 48.84 N +ATOM 593 N THR H 74 11.675 3.498 12.723 1.00 25.95 N +ATOM 594 CA THR H 74 11.078 3.168 14.010 1.00 35.61 C +ATOM 595 C THR H 74 11.016 1.657 14.180 1.00 33.28 C +ATOM 596 O THR H 74 10.508 0.948 13.304 1.00 30.54 O +ATOM 597 CB THR H 74 9.672 3.769 14.130 1.00 37.52 C +ATOM 598 OG1 THR H 74 9.742 5.188 13.950 1.00 40.69 O +ATOM 599 CG2 THR H 74 9.065 3.466 15.497 1.00 36.42 C +ATOM 600 N ALA H 75 11.532 1.173 15.305 1.00 34.84 N +ATOM 601 CA ALA H 75 11.402 -0.222 15.698 1.00 33.61 C +ATOM 602 C ALA H 75 10.332 -0.341 16.774 1.00 29.65 C +ATOM 603 O ALA H 75 10.200 0.537 17.632 1.00 28.21 O +ATOM 604 CB ALA H 75 12.730 -0.776 16.216 1.00 36.27 C +ATOM 605 N TYR H 76 9.567 -1.427 16.723 1.00 23.76 N +ATOM 606 CA TYR H 76 8.456 -1.642 17.636 1.00 26.46 C +ATOM 607 C TYR H 76 8.617 -2.967 18.367 1.00 32.04 C +ATOM 608 O TYR H 76 9.133 -3.943 17.814 1.00 30.91 O +ATOM 609 CB TYR H 76 7.112 -1.643 16.895 1.00 29.26 C +ATOM 610 CG TYR H 76 6.795 -0.363 16.162 1.00 33.17 C +ATOM 611 CD1 TYR H 76 6.194 0.705 16.816 1.00 36.99 C +ATOM 612 CD2 TYR H 76 7.083 -0.226 14.811 1.00 35.80 C +ATOM 613 CE1 TYR H 76 5.896 1.878 16.146 1.00 38.73 C +ATOM 614 CE2 TYR H 76 6.789 0.942 14.132 1.00 39.46 C +ATOM 615 CZ TYR H 76 6.195 1.989 14.804 1.00 39.96 C +ATOM 616 OH TYR H 76 5.902 3.153 14.132 1.00 43.65 O +ATOM 617 N MET H 77 8.165 -2.989 19.618 1.00 30.90 N +ATOM 618 CA MET H 77 8.038 -4.222 20.386 1.00 34.46 C +ATOM 619 C MET H 77 6.645 -4.260 20.991 1.00 32.01 C +ATOM 620 O MET H 77 6.250 -3.332 21.705 1.00 30.99 O +ATOM 621 CB MET H 77 9.093 -4.324 21.490 1.00 30.75 C +ATOM 622 CG MET H 77 8.939 -5.580 22.346 1.00 29.02 C +ATOM 623 SD MET H 77 10.191 -5.752 23.630 1.00 30.13 S +ATOM 624 CE MET H 77 9.760 -4.394 24.708 1.00 27.09 C +ATOM 625 N GLN H 78 5.908 -5.324 20.706 1.00 29.73 N +ATOM 626 CA GLN H 78 4.597 -5.543 21.294 1.00 28.19 C +ATOM 627 C GLN H 78 4.711 -6.587 22.395 1.00 25.21 C +ATOM 628 O GLN H 78 5.273 -7.666 22.178 1.00 29.82 O +ATOM 629 CB GLN H 78 3.592 -5.990 20.234 1.00 32.60 C +ATOM 630 CG GLN H 78 2.212 -6.283 20.787 1.00 43.64 C +ATOM 631 CD GLN H 78 1.126 -6.085 19.755 1.00 57.17 C +ATOM 632 OE1 GLN H 78 0.678 -7.036 19.116 1.00 61.28 O +ATOM 633 NE2 GLN H 78 0.695 -4.839 19.585 1.00 65.20 N +ATOM 634 N LEU H 79 4.195 -6.256 23.575 1.00 25.45 N +ATOM 635 CA LEU H 79 4.138 -7.173 24.705 1.00 32.54 C +ATOM 636 C LEU H 79 2.686 -7.575 24.923 1.00 37.02 C +ATOM 637 O LEU H 79 1.838 -6.720 25.200 1.00 38.48 O +ATOM 638 CB LEU H 79 4.718 -6.527 25.963 1.00 32.47 C +ATOM 639 CG LEU H 79 6.204 -6.166 25.899 1.00 36.28 C +ATOM 640 CD1 LEU H 79 6.589 -5.280 27.073 1.00 42.82 C +ATOM 641 CD2 LEU H 79 7.061 -7.423 25.877 1.00 38.82 C +ATOM 642 N SER H 80 2.404 -8.868 24.794 1.00 37.00 N +ATOM 643 CA SER H 80 1.050 -9.392 24.863 1.00 36.55 C +ATOM 644 C SER H 80 0.812 -10.101 26.190 1.00 33.97 C +ATOM 645 O SER H 80 1.750 -10.466 26.905 1.00 28.86 O +ATOM 646 CB SER H 80 0.786 -10.362 23.706 1.00 42.59 C +ATOM 647 OG SER H 80 0.956 -9.718 22.455 1.00 55.16 O +ATOM 648 N SER H 81 -0.466 -10.290 26.512 1.00 37.90 N +ATOM 649 CA SER H 81 -0.884 -11.060 27.682 1.00 40.18 C +ATOM 650 C SER H 81 -0.158 -10.581 28.941 1.00 33.16 C +ATOM 651 O SER H 81 0.521 -11.340 29.635 1.00 32.22 O +ATOM 652 CB SER H 81 -0.649 -12.553 27.443 1.00 45.81 C +ATOM 653 OG SER H 81 -1.009 -13.317 28.579 1.00 64.85 O +ATOM 654 N LEU H 82 -0.329 -9.296 29.233 1.00 22.92 N +ATOM 655 CA LEU H 82 0.467 -8.651 30.268 1.00 23.30 C +ATOM 656 C LEU H 82 0.102 -9.163 31.657 1.00 29.24 C +ATOM 657 O LEU H 82 -1.075 -9.321 31.994 1.00 29.64 O +ATOM 658 CB LEU H 82 0.282 -7.136 30.201 1.00 25.57 C +ATOM 659 CG LEU H 82 0.894 -6.473 28.963 1.00 26.14 C +ATOM 660 CD1 LEU H 82 0.383 -5.052 28.802 1.00 28.04 C +ATOM 661 CD2 LEU H 82 2.416 -6.486 29.046 1.00 29.11 C +ATOM 662 N THR H 83 1.129 -9.421 32.460 1.00 32.60 N +ATOM 663 CA THR H 83 0.999 -9.818 33.855 1.00 33.97 C +ATOM 664 C THR H 83 1.759 -8.824 34.727 1.00 37.17 C +ATOM 665 O THR H 83 2.411 -7.901 34.233 1.00 35.96 O +ATOM 666 CB THR H 83 1.534 -11.237 34.082 1.00 37.82 C +ATOM 667 OG1 THR H 83 2.961 -11.238 33.945 1.00 39.93 O +ATOM 668 CG2 THR H 83 0.934 -12.216 33.084 1.00 34.70 C +ATOM 669 N SER H 84 1.681 -9.029 36.044 1.00 42.82 N +ATOM 670 CA SER H 84 2.423 -8.178 36.969 1.00 43.85 C +ATOM 671 C SER H 84 3.922 -8.265 36.716 1.00 39.20 C +ATOM 672 O SER H 84 4.636 -7.261 36.821 1.00 37.54 O +ATOM 673 CB SER H 84 2.103 -8.569 38.412 1.00 48.15 C +ATOM 674 OG SER H 84 0.778 -8.208 38.755 1.00 61.08 O +ATOM 675 N GLU H 85 4.419 -9.457 36.380 1.00 38.01 N +ATOM 676 CA GLU H 85 5.850 -9.647 36.171 1.00 40.33 C +ATOM 677 C GLU H 85 6.371 -8.934 34.930 1.00 34.27 C +ATOM 678 O GLU H 85 7.591 -8.871 34.743 1.00 36.68 O +ATOM 679 CB GLU H 85 6.169 -11.141 36.079 1.00 46.78 C +ATOM 680 CG GLU H 85 5.752 -11.952 37.301 1.00 65.25 C +ATOM 681 CD GLU H 85 6.431 -11.491 38.580 1.00 81.81 C +ATOM 682 OE1 GLU H 85 6.195 -10.340 39.007 1.00 87.83 O +ATOM 683 OE2 GLU H 85 7.207 -12.281 39.158 1.00 88.06 O +ATOM 684 N ASP H 86 5.492 -8.403 34.082 1.00 28.23 N +ATOM 685 CA ASP H 86 5.917 -7.612 32.936 1.00 33.08 C +ATOM 686 C ASP H 86 6.134 -6.144 33.280 1.00 32.75 C +ATOM 687 O ASP H 86 6.623 -5.390 32.431 1.00 27.87 O +ATOM 688 CB ASP H 86 4.888 -7.724 31.805 1.00 31.12 C +ATOM 689 CG ASP H 86 4.776 -9.134 31.256 1.00 39.25 C +ATOM 690 OD1 ASP H 86 5.797 -9.856 31.249 1.00 37.06 O +ATOM 691 OD2 ASP H 86 3.666 -9.520 30.834 1.00 39.41 O +ATOM 692 N SER H 87 5.785 -5.720 34.492 1.00 30.83 N +ATOM 693 CA SER H 87 6.025 -4.345 34.918 1.00 30.74 C +ATOM 694 C SER H 87 7.525 -4.128 35.057 1.00 26.87 C +ATOM 695 O SER H 87 8.172 -4.743 35.911 1.00 34.12 O +ATOM 696 CB SER H 87 5.306 -4.065 36.233 1.00 25.91 C +ATOM 697 OG SER H 87 3.905 -4.202 36.085 1.00 31.70 O +ATOM 698 N ALA H 88 8.083 -3.258 34.221 1.00 27.08 N +ATOM 699 CA ALA H 88 9.528 -3.096 34.153 1.00 25.85 C +ATOM 700 C ALA H 88 9.846 -1.885 33.292 1.00 27.05 C +ATOM 701 O ALA H 88 8.958 -1.263 32.702 1.00 23.04 O +ATOM 702 CB ALA H 88 10.198 -4.346 33.577 1.00 30.04 C +ATOM 703 N VAL H 89 11.130 -1.555 33.238 1.00 28.49 N +ATOM 704 CA VAL H 89 11.651 -0.613 32.259 1.00 25.24 C +ATOM 705 C VAL H 89 12.172 -1.417 31.078 1.00 28.83 C +ATOM 706 O VAL H 89 12.903 -2.399 31.257 1.00 26.00 O +ATOM 707 CB VAL H 89 12.763 0.262 32.862 1.00 21.74 C +ATOM 708 CG1 VAL H 89 13.179 1.338 31.870 1.00 22.63 C +ATOM 709 CG2 VAL H 89 12.311 0.886 34.173 1.00 19.54 C +ATOM 710 N TYR H 90 11.790 -1.011 29.871 1.00 27.59 N +ATOM 711 CA TYR H 90 12.221 -1.675 28.650 1.00 25.62 C +ATOM 712 C TYR H 90 13.078 -0.716 27.840 1.00 31.08 C +ATOM 713 O TYR H 90 12.650 0.405 27.541 1.00 28.56 O +ATOM 714 CB TYR H 90 11.022 -2.151 27.826 1.00 20.46 C +ATOM 715 CG TYR H 90 10.218 -3.235 28.504 1.00 25.92 C +ATOM 716 CD1 TYR H 90 10.557 -4.574 28.353 1.00 22.80 C +ATOM 717 CD2 TYR H 90 9.124 -2.920 29.299 1.00 22.19 C +ATOM 718 CE1 TYR H 90 9.828 -5.572 28.974 1.00 24.16 C +ATOM 719 CE2 TYR H 90 8.386 -3.910 29.923 1.00 29.59 C +ATOM 720 CZ TYR H 90 8.744 -5.235 29.758 1.00 32.28 C +ATOM 721 OH TYR H 90 8.017 -6.226 30.376 1.00 22.70 O +ATOM 722 N TYR H 91 14.285 -1.154 27.501 1.00 28.66 N +ATOM 723 CA TYR H 91 15.206 -0.379 26.685 1.00 22.95 C +ATOM 724 C TYR H 91 15.269 -0.961 25.282 1.00 25.61 C +ATOM 725 O TYR H 91 15.241 -2.183 25.104 1.00 22.20 O +ATOM 726 CB TYR H 91 16.619 -0.377 27.277 1.00 19.55 C +ATOM 727 CG TYR H 91 16.755 0.321 28.605 1.00 24.06 C +ATOM 728 CD1 TYR H 91 16.926 1.698 28.673 1.00 31.55 C +ATOM 729 CD2 TYR H 91 16.736 -0.397 29.791 1.00 31.08 C +ATOM 730 CE1 TYR H 91 17.059 2.340 29.888 1.00 31.25 C +ATOM 731 CE2 TYR H 91 16.869 0.237 31.010 1.00 33.27 C +ATOM 732 CZ TYR H 91 17.031 1.604 31.052 1.00 27.70 C +ATOM 733 OH TYR H 91 17.164 2.237 32.264 1.00 31.37 O +ATOM 734 N CYS H 92 15.344 -0.082 24.290 1.00 22.62 N +ATOM 735 CA CYS H 92 15.869 -0.449 22.987 1.00 26.19 C +ATOM 736 C CYS H 92 17.317 0.016 22.917 1.00 24.82 C +ATOM 737 O CYS H 92 17.722 0.949 23.615 1.00 22.56 O +ATOM 738 CB CYS H 92 15.051 0.160 21.844 1.00 30.20 C +ATOM 739 SG CYS H 92 15.030 1.971 21.774 1.00 48.85 S +ATOM 740 N ALA H 93 18.103 -0.660 22.089 1.00 22.62 N +ATOM 741 CA ALA H 93 19.513 -0.332 21.968 1.00 21.49 C +ATOM 742 C ALA H 93 19.998 -0.796 20.607 1.00 21.12 C +ATOM 743 O ALA H 93 19.405 -1.680 19.983 1.00 28.48 O +ATOM 744 CB ALA H 93 20.340 -0.973 23.087 1.00 20.89 C +ATOM 745 N ARG H 94 21.084 -0.181 20.156 1.00 16.53 N +ATOM 746 CA ARG H 94 21.702 -0.508 18.883 1.00 23.96 C +ATOM 747 C ARG H 94 23.022 -1.222 19.131 1.00 23.81 C +ATOM 748 O ARG H 94 23.759 -0.876 20.060 1.00 28.05 O +ATOM 749 CB ARG H 94 21.944 0.755 18.052 1.00 25.02 C +ATOM 750 CG ARG H 94 22.369 0.477 16.623 1.00 22.40 C +ATOM 751 CD ARG H 94 22.886 1.728 15.934 1.00 26.76 C +ATOM 752 NE ARG H 94 24.218 2.103 16.402 1.00 26.76 N +ATOM 753 CZ ARG H 94 25.044 2.911 15.743 1.00 30.69 C +ATOM 754 NH1 ARG H 94 24.685 3.431 14.576 1.00 31.83 N +ATOM 755 NH2 ARG H 94 26.237 3.194 16.247 1.00 35.75 N +ATOM 756 N LEU H 95 23.317 -2.220 18.302 1.00 21.76 N +ATOM 757 CA LEU H 95 24.637 -2.831 18.329 1.00 26.59 C +ATOM 758 C LEU H 95 25.664 -1.861 17.764 1.00 22.35 C +ATOM 759 O LEU H 95 25.405 -1.158 16.783 1.00 32.58 O +ATOM 760 CB LEU H 95 24.647 -4.136 17.531 1.00 27.22 C +ATOM 761 CG LEU H 95 23.775 -5.281 18.056 1.00 28.79 C +ATOM 762 CD1 LEU H 95 24.064 -6.559 17.281 1.00 29.42 C +ATOM 763 CD2 LEU H 95 23.983 -5.509 19.548 1.00 27.51 C +ATOM 764 N GLY H 96 26.837 -1.817 18.398 1.00 29.27 N +ATOM 765 CA GLY H 96 27.866 -0.880 17.978 1.00 34.38 C +ATOM 766 C GLY H 96 28.438 -1.183 16.609 1.00 35.92 C +ATOM 767 O GLY H 96 28.887 -0.273 15.907 1.00 46.75 O +ATOM 768 N THR H 97 28.428 -2.447 16.209 1.00 28.24 N +ATOM 769 CA THR H 97 28.950 -2.857 14.916 1.00 29.92 C +ATOM 770 C THR H 97 27.807 -3.072 13.927 1.00 27.94 C +ATOM 771 O THR H 97 26.628 -3.080 14.288 1.00 31.99 O +ATOM 772 CB THR H 97 29.785 -4.132 15.059 1.00 35.51 C +ATOM 773 OG1 THR H 97 28.969 -5.190 15.581 1.00 34.13 O +ATOM 774 CG2 THR H 97 30.969 -3.896 15.990 1.00 34.07 C +ATOM 775 N THR H 98 28.175 -3.247 12.660 1.00 26.64 N +ATOM 776 CA THR H 98 27.191 -3.416 11.602 1.00 31.55 C +ATOM 777 C THR H 98 26.695 -4.865 11.562 1.00 29.93 C +ATOM 778 O THR H 98 27.076 -5.708 12.377 1.00 31.11 O +ATOM 779 CB THR H 98 27.776 -2.973 10.262 1.00 35.65 C +ATOM 780 OG1 THR H 98 29.091 -3.518 10.102 1.00 40.12 O +ATOM 781 CG2 THR H 98 27.843 -1.448 10.193 1.00 42.05 C +ATOM 782 N ALA H 99 25.844 -5.158 10.576 1.00 29.20 N +ATOM 783 CA ALA H 99 24.951 -6.311 10.671 1.00 31.54 C +ATOM 784 C ALA H 99 25.706 -7.636 10.736 1.00 26.59 C +ATOM 785 O ALA H 99 25.297 -8.546 11.467 1.00 38.18 O +ATOM 786 CB ALA H 99 23.978 -6.309 9.493 1.00 27.07 C +ATOM 787 N VAL H 100 26.796 -7.781 9.979 1.00 29.82 N +ATOM 788 CA VAL H 100 27.474 -9.073 9.867 1.00 29.63 C +ATOM 789 C VAL H 100 28.743 -9.139 10.714 1.00 27.28 C +ATOM 790 O VAL H 100 29.474 -10.129 10.641 1.00 34.87 O +ATOM 791 CB VAL H 100 27.781 -9.426 8.400 1.00 34.91 C +ATOM 792 CG1 VAL H 100 26.490 -9.544 7.598 1.00 33.24 C +ATOM 793 CG2 VAL H 100 28.716 -8.407 7.768 1.00 34.63 C +ATOM 794 N GLU H 100a 29.018 -8.119 11.523 1.00 30.96 N +ATOM 795 CA GLU H 100a 30.175 -8.153 12.404 1.00 33.76 C +ATOM 796 C GLU H 100a 29.838 -8.915 13.686 1.00 23.19 C +ATOM 797 O GLU H 100a 28.672 -9.130 14.024 1.00 25.06 O +ATOM 798 CB GLU H 100a 30.640 -6.736 12.741 1.00 43.77 C +ATOM 799 CG GLU H 100a 30.901 -5.840 11.530 1.00 54.94 C +ATOM 800 CD GLU H 100a 32.272 -6.055 10.913 1.00 64.04 C +ATOM 801 OE1 GLU H 100a 32.873 -7.126 11.140 1.00 72.41 O +ATOM 802 OE2 GLU H 100a 32.750 -5.145 10.203 1.00 62.69 O +ATOM 803 N ARG H 100b 30.884 -9.308 14.414 1.00 25.58 N +ATOM 804 CA ARG H 100b 30.741 -10.274 15.497 1.00 26.41 C +ATOM 805 C ARG H 100b 30.611 -9.650 16.882 1.00 29.44 C +ATOM 806 O ARG H 100b 30.121 -10.323 17.797 1.00 36.09 O +ATOM 807 CB ARG H 100b 31.936 -11.240 15.497 1.00 26.47 C +ATOM 808 CG ARG H 100b 31.794 -12.435 16.439 1.00 33.76 C +ATOM 809 CD ARG H 100b 30.664 -13.364 16.012 1.00 25.79 C +ATOM 810 NE ARG H 100b 30.344 -14.346 17.044 1.00 29.35 N +ATOM 811 CZ ARG H 100b 29.578 -14.098 18.102 1.00 31.26 C +ATOM 812 NH1 ARG H 100b 29.051 -12.892 18.282 1.00 37.22 N +ATOM 813 NH2 ARG H 100b 29.342 -15.055 18.987 1.00 30.07 N +ATOM 814 N ASP H 100c 31.025 -8.399 17.069 1.00 28.44 N +ATOM 815 CA ASP H 100c 31.010 -7.770 18.391 1.00 31.40 C +ATOM 816 C ASP H 100c 29.624 -7.187 18.643 1.00 36.63 C +ATOM 817 O ASP H 100c 29.307 -6.082 18.195 1.00 33.80 O +ATOM 818 CB ASP H 100c 32.097 -6.707 18.491 1.00 44.09 C +ATOM 819 CG ASP H 100c 33.484 -7.306 18.637 1.00 49.19 C +ATOM 820 OD1 ASP H 100c 33.653 -8.214 19.481 1.00 43.14 O +ATOM 821 OD2 ASP H 100c 34.401 -6.878 17.902 1.00 54.12 O +ATOM 822 N TRP H 100d 28.798 -7.932 19.377 1.00 35.18 N +ATOM 823 CA TRP H 100d 27.415 -7.540 19.641 1.00 30.79 C +ATOM 824 C TRP H 100d 27.318 -6.851 21.002 1.00 29.77 C +ATOM 825 O TRP H 100d 26.722 -7.359 21.952 1.00 27.52 O +ATOM 826 CB TRP H 100d 26.498 -8.760 19.581 1.00 26.39 C +ATOM 827 CG TRP H 100d 26.659 -9.598 18.351 1.00 25.32 C +ATOM 828 CD1 TRP H 100d 27.130 -9.195 17.134 1.00 25.60 C +ATOM 829 CD2 TRP H 100d 26.354 -10.992 18.222 1.00 25.56 C +ATOM 830 NE1 TRP H 100d 27.131 -10.252 16.255 1.00 28.84 N +ATOM 831 CE2 TRP H 100d 26.661 -11.366 16.900 1.00 28.56 C +ATOM 832 CE3 TRP H 100d 25.850 -11.959 19.097 1.00 30.03 C +ATOM 833 CZ2 TRP H 100d 26.480 -12.666 16.432 1.00 37.20 C +ATOM 834 CZ3 TRP H 100d 25.670 -13.248 18.630 1.00 31.11 C +ATOM 835 CH2 TRP H 100d 25.984 -13.590 17.310 1.00 31.69 C +ATOM 836 N TYR H 100e 27.918 -5.666 21.083 1.00 33.52 N +ATOM 837 CA TYR H 100e 27.805 -4.818 22.262 1.00 30.05 C +ATOM 838 C TYR H 100e 26.876 -3.648 21.959 1.00 22.44 C +ATOM 839 O TYR H 100e 26.713 -3.247 20.804 1.00 24.38 O +ATOM 840 CB TYR H 100e 29.178 -4.310 22.720 1.00 31.99 C +ATOM 841 CG TYR H 100e 29.771 -3.219 21.859 1.00 34.63 C +ATOM 842 CD1 TYR H 100e 29.638 -1.884 22.213 1.00 38.99 C +ATOM 843 CD2 TYR H 100e 30.474 -3.523 20.701 1.00 37.01 C +ATOM 844 CE1 TYR H 100e 30.181 -0.880 21.436 1.00 38.51 C +ATOM 845 CE2 TYR H 100e 31.021 -2.525 19.915 1.00 34.62 C +ATOM 846 CZ TYR H 100e 30.871 -1.205 20.289 1.00 40.65 C +ATOM 847 OH TYR H 100e 31.412 -0.204 19.514 1.00 45.13 O +ATOM 848 N PHE H 100f 26.255 -3.112 23.007 1.00 23.27 N +ATOM 849 CA PHE H 100f 25.193 -2.115 22.868 1.00 23.21 C +ATOM 850 C PHE H 100f 25.822 -0.740 23.077 1.00 26.46 C +ATOM 851 O PHE H 100f 26.125 -0.352 24.209 1.00 26.97 O +ATOM 852 CB PHE H 100f 24.064 -2.351 23.869 1.00 22.22 C +ATOM 853 CG PHE H 100f 23.423 -3.724 23.800 1.00 25.98 C +ATOM 854 CD1 PHE H 100f 22.311 -3.997 24.581 1.00 29.97 C +ATOM 855 CD2 PHE H 100f 23.919 -4.736 22.987 1.00 35.82 C +ATOM 856 CE1 PHE H 100f 21.705 -5.240 24.550 1.00 28.45 C +ATOM 857 CE2 PHE H 100f 23.318 -5.981 22.959 1.00 35.87 C +ATOM 858 CZ PHE H 100f 22.208 -6.230 23.739 1.00 31.65 C +ATOM 859 N ASP H 101 26.016 0.005 21.988 1.00 22.56 N +ATOM 860 CA ASP H 101 26.700 1.291 22.087 1.00 32.90 C +ATOM 861 C ASP H 101 25.756 2.459 22.346 1.00 30.64 C +ATOM 862 O ASP H 101 26.156 3.427 23.003 1.00 34.60 O +ATOM 863 CB ASP H 101 27.511 1.563 20.816 1.00 30.52 C +ATOM 864 CG ASP H 101 26.639 1.817 19.607 1.00 39.75 C +ATOM 865 OD1 ASP H 101 25.465 1.395 19.613 1.00 41.96 O +ATOM 866 OD2 ASP H 101 27.135 2.434 18.640 1.00 49.18 O +ATOM 867 N VAL H 102 24.517 2.397 21.860 1.00 22.70 N +ATOM 868 CA VAL H 102 23.552 3.477 22.035 1.00 25.54 C +ATOM 869 C VAL H 102 22.257 2.890 22.575 1.00 22.64 C +ATOM 870 O VAL H 102 21.681 1.982 21.967 1.00 28.87 O +ATOM 871 CB VAL H 102 23.288 4.234 20.719 1.00 37.06 C +ATOM 872 CG1 VAL H 102 22.282 5.361 20.945 1.00 32.08 C +ATOM 873 CG2 VAL H 102 24.589 4.784 20.149 1.00 32.94 C +ATOM 874 N TRP H 103 21.794 3.423 23.700 1.00 24.58 N +ATOM 875 CA TRP H 103 20.579 2.968 24.355 1.00 27.41 C +ATOM 876 C TRP H 103 19.514 4.055 24.306 1.00 34.64 C +ATOM 877 O TRP H 103 19.823 5.250 24.269 1.00 32.32 O +ATOM 878 CB TRP H 103 20.848 2.601 25.818 1.00 29.02 C +ATOM 879 CG TRP H 103 21.832 1.494 26.006 1.00 28.84 C +ATOM 880 CD1 TRP H 103 23.142 1.483 25.622 1.00 32.90 C +ATOM 881 CD2 TRP H 103 21.592 0.237 26.647 1.00 23.13 C +ATOM 882 NE1 TRP H 103 23.729 0.292 25.976 1.00 31.62 N +ATOM 883 CE2 TRP H 103 22.798 -0.490 26.608 1.00 24.15 C +ATOM 884 CE3 TRP H 103 20.471 -0.347 27.245 1.00 26.53 C +ATOM 885 CZ2 TRP H 103 22.916 -1.770 27.145 1.00 30.18 C +ATOM 886 CZ3 TRP H 103 20.590 -1.618 27.777 1.00 29.32 C +ATOM 887 CH2 TRP H 103 21.804 -2.315 27.723 1.00 21.99 C +ATOM 888 N GLY H 104 18.256 3.628 24.306 1.00 32.93 N +ATOM 889 CA GLY H 104 17.164 4.548 24.535 1.00 25.48 C +ATOM 890 C GLY H 104 17.080 4.943 25.996 1.00 29.41 C +ATOM 891 O GLY H 104 17.773 4.408 26.862 1.00 29.48 O +ATOM 892 N ALA H 105 16.210 5.914 26.277 1.00 26.83 N +ATOM 893 CA ALA H 105 16.017 6.368 27.647 1.00 25.26 C +ATOM 894 C ALA H 105 15.175 5.408 28.477 1.00 28.65 C +ATOM 895 O ALA H 105 15.077 5.593 29.695 1.00 34.13 O +ATOM 896 CB ALA H 105 15.367 7.754 27.658 1.00 26.79 C +ATOM 897 N GLY H 106 14.571 4.400 27.861 1.00 32.73 N +ATOM 898 CA GLY H 106 13.753 3.448 28.579 1.00 38.97 C +ATOM 899 C GLY H 106 12.279 3.816 28.566 1.00 39.22 C +ATOM 900 O GLY H 106 11.891 4.971 28.400 1.00 38.59 O +ATOM 901 N THR H 107 11.448 2.791 28.746 1.00 41.20 N +ATOM 902 CA THR H 107 9.997 2.945 28.761 1.00 30.35 C +ATOM 903 C THR H 107 9.450 2.113 29.907 1.00 27.24 C +ATOM 904 O THR H 107 9.584 0.885 29.900 1.00 34.09 O +ATOM 905 CB THR H 107 9.374 2.501 27.432 1.00 34.12 C +ATOM 906 OG1 THR H 107 9.869 3.323 26.369 1.00 42.44 O +ATOM 907 CG2 THR H 107 7.853 2.600 27.479 1.00 37.47 C +ATOM 908 N THR H 108 8.837 2.774 30.883 1.00 24.67 N +ATOM 909 CA THR H 108 8.284 2.078 32.034 1.00 29.40 C +ATOM 910 C THR H 108 6.882 1.576 31.714 1.00 31.59 C +ATOM 911 O THR H 108 6.021 2.343 31.272 1.00 35.68 O +ATOM 912 CB THR H 108 8.250 2.998 33.254 1.00 31.25 C +ATOM 913 OG1 THR H 108 9.562 3.521 33.494 1.00 35.48 O +ATOM 914 CG2 THR H 108 7.781 2.236 34.490 1.00 32.96 C +ATOM 915 N VAL H 109 6.661 0.284 31.936 1.00 34.74 N +ATOM 916 CA VAL H 109 5.359 -0.347 31.760 1.00 32.72 C +ATOM 917 C VAL H 109 4.853 -0.764 33.132 1.00 36.11 C +ATOM 918 O VAL H 109 5.572 -1.427 33.889 1.00 32.64 O +ATOM 919 CB VAL H 109 5.441 -1.557 30.812 1.00 34.53 C +ATOM 920 CG1 VAL H 109 4.091 -2.261 30.714 1.00 33.93 C +ATOM 921 CG2 VAL H 109 5.916 -1.119 29.433 1.00 33.91 C +ATOM 922 N THR H 110 3.623 -0.371 33.452 1.00 28.83 N +ATOM 923 CA THR H 110 2.970 -0.757 34.697 1.00 31.23 C +ATOM 924 C THR H 110 1.730 -1.567 34.354 1.00 30.69 C +ATOM 925 O THR H 110 0.866 -1.098 33.605 1.00 29.10 O +ATOM 926 CB THR H 110 2.597 0.469 35.536 1.00 34.49 C +ATOM 927 OG1 THR H 110 3.758 1.283 35.746 1.00 40.84 O +ATOM 928 CG2 THR H 110 2.039 0.042 36.887 1.00 32.52 C +ATOM 929 N VAL H 111 1.647 -2.778 34.894 1.00 30.15 N +ATOM 930 CA VAL H 111 0.517 -3.672 34.669 1.00 34.78 C +ATOM 931 C VAL H 111 -0.223 -3.800 35.993 1.00 33.27 C +ATOM 932 O VAL H 111 0.324 -4.330 36.968 1.00 36.01 O +ATOM 933 CB VAL H 111 0.968 -5.044 34.149 1.00 32.91 C +ATOM 934 CG1 VAL H 111 -0.236 -5.932 33.868 1.00 28.43 C +ATOM 935 CG2 VAL H 111 1.819 -4.881 32.895 1.00 36.07 C +ATOM 936 N SER H 112 -1.462 -3.312 36.040 1.00 34.28 N +ATOM 937 CA SER H 112 -2.213 -3.300 37.287 1.00 37.46 C +ATOM 938 C SER H 112 -3.698 -3.147 36.995 1.00 37.66 C +ATOM 939 O SER H 112 -4.082 -2.457 36.048 1.00 33.83 O +ATOM 940 CB SER H 112 -1.740 -2.162 38.198 1.00 38.32 C +ATOM 941 OG SER H 112 -2.524 -2.090 39.375 1.00 42.46 O +TER 942 SER H 112 +ATOM 942 N ASP L 1 21.410 -21.807 28.622 1.00 48.43 N +ATOM 943 CA ASP L 1 21.761 -20.361 28.709 1.00 43.32 C +ATOM 944 C ASP L 1 23.000 -20.164 29.575 1.00 36.19 C +ATOM 945 O ASP L 1 23.179 -20.843 30.586 1.00 35.48 O +ATOM 946 CB ASP L 1 20.588 -19.559 29.273 1.00 47.76 C +ATOM 947 CG ASP L 1 19.330 -19.702 28.437 1.00 54.90 C +ATOM 948 OD1 ASP L 1 19.265 -20.636 27.610 1.00 56.09 O +ATOM 949 OD2 ASP L 1 18.403 -18.883 28.612 1.00 57.26 O +ATOM 950 N ILE L 2 23.857 -19.234 29.169 1.00 35.88 N +ATOM 951 CA ILE L 2 25.075 -18.943 29.914 1.00 31.34 C +ATOM 952 C ILE L 2 24.740 -17.999 31.058 1.00 38.76 C +ATOM 953 O ILE L 2 24.161 -16.926 30.847 1.00 43.00 O +ATOM 954 CB ILE L 2 26.147 -18.343 28.991 1.00 34.06 C +ATOM 955 CG1 ILE L 2 26.540 -19.365 27.919 1.00 35.38 C +ATOM 956 CG2 ILE L 2 27.370 -17.895 29.804 1.00 30.80 C +ATOM 957 CD1 ILE L 2 27.575 -18.867 26.936 1.00 39.03 C +ATOM 958 N VAL L 3 25.107 -18.393 32.273 1.00 31.75 N +ATOM 959 CA VAL L 3 24.900 -17.568 33.457 1.00 27.46 C +ATOM 960 C VAL L 3 26.150 -16.733 33.691 1.00 28.18 C +ATOM 961 O VAL L 3 27.265 -17.268 33.748 1.00 26.24 O +ATOM 962 CB VAL L 3 24.580 -18.437 34.686 1.00 34.24 C +ATOM 963 CG1 VAL L 3 24.411 -17.567 35.930 1.00 29.69 C +ATOM 964 CG2 VAL L 3 23.327 -19.259 34.441 1.00 25.46 C +ATOM 965 N MET L 4 25.965 -15.422 33.825 1.00 30.08 N +ATOM 966 CA MET L 4 27.045 -14.502 34.158 1.00 23.58 C +ATOM 967 C MET L 4 26.918 -14.135 35.631 1.00 28.90 C +ATOM 968 O MET L 4 25.936 -13.501 36.031 1.00 29.99 O +ATOM 969 CB MET L 4 26.990 -13.250 33.283 1.00 27.26 C +ATOM 970 CG MET L 4 26.913 -13.534 31.789 1.00 36.28 C +ATOM 971 SD MET L 4 28.305 -14.500 31.159 1.00 41.46 S +ATOM 972 CE MET L 4 29.628 -13.313 31.272 1.00 61.33 C +ATOM 973 N THR L 5 27.908 -14.525 36.429 1.00 27.73 N +ATOM 974 CA THR L 5 27.867 -14.351 37.876 1.00 32.71 C +ATOM 975 C THR L 5 28.817 -13.233 38.282 1.00 34.14 C +ATOM 976 O THR L 5 30.031 -13.336 38.072 1.00 30.81 O +ATOM 977 CB THR L 5 28.237 -15.648 38.596 1.00 40.14 C +ATOM 978 OG1 THR L 5 27.358 -16.701 38.179 1.00 41.22 O +ATOM 979 CG2 THR L 5 28.130 -15.473 40.111 1.00 37.48 C +ATOM 980 N GLN L 6 28.262 -12.174 38.862 1.00 36.19 N +ATOM 981 CA GLN L 6 29.035 -11.116 39.508 1.00 34.25 C +ATOM 982 C GLN L 6 28.874 -11.313 41.012 1.00 34.22 C +ATOM 983 O GLN L 6 27.886 -10.868 41.604 1.00 37.60 O +ATOM 984 CB GLN L 6 28.562 -9.737 39.060 1.00 29.87 C +ATOM 985 CG GLN L 6 29.000 -9.367 37.652 1.00 33.15 C +ATOM 986 CD GLN L 6 28.394 -8.063 37.174 1.00 32.12 C +ATOM 987 OE1 GLN L 6 27.525 -8.054 36.302 1.00 29.90 O +ATOM 988 NE2 GLN L 6 28.852 -6.952 37.742 1.00 26.65 N +ATOM 989 N SER L 7 29.849 -11.988 41.626 1.00 37.78 N +ATOM 990 CA SER L 7 29.727 -12.360 43.032 1.00 39.47 C +ATOM 991 C SER L 7 29.626 -11.140 43.939 1.00 37.90 C +ATOM 992 O SER L 7 28.989 -11.206 44.996 1.00 37.91 O +ATOM 993 CB SER L 7 30.917 -13.225 43.447 1.00 45.27 C +ATOM 994 OG SER L 7 32.140 -12.530 43.276 1.00 51.09 O +ATOM 995 N GLN L 8 30.241 -10.026 43.552 1.00 35.79 N +ATOM 996 CA GLN L 8 30.260 -8.823 44.379 1.00 43.17 C +ATOM 997 C GLN L 8 29.005 -8.006 44.095 1.00 43.16 C +ATOM 998 O GLN L 8 28.863 -7.424 43.015 1.00 43.58 O +ATOM 999 CB GLN L 8 31.519 -8.004 44.108 1.00 46.74 C +ATOM 1000 CG GLN L 8 32.816 -8.750 44.407 1.00 51.54 C +ATOM 1001 CD GLN L 8 33.795 -8.734 43.244 1.00 58.43 C +ATOM 1002 OE1 GLN L 8 33.669 -7.933 42.316 1.00 46.63 O +ATOM 1003 NE2 GLN L 8 34.778 -9.628 43.289 1.00 64.69 N +ATOM 1004 N LYS L 9 28.093 -7.965 45.067 1.00 41.79 N +ATOM 1005 CA LYS L 9 26.909 -7.122 44.942 1.00 42.19 C +ATOM 1006 C LYS L 9 27.249 -5.659 45.196 1.00 39.65 C +ATOM 1007 O LYS L 9 26.695 -4.765 44.545 1.00 34.80 O +ATOM 1008 CB LYS L 9 25.824 -7.594 45.913 1.00 51.02 C +ATOM 1009 CG LYS L 9 24.497 -7.953 45.258 1.00 58.51 C +ATOM 1010 CD LYS L 9 24.638 -9.103 44.271 1.00 60.22 C +ATOM 1011 CE LYS L 9 23.278 -9.588 43.791 1.00 60.50 C +ATOM 1012 NZ LYS L 9 23.376 -10.462 42.589 1.00 58.77 N +ATOM 1013 N PHE L 10 28.159 -5.402 46.133 1.00 38.64 N +ATOM 1014 CA PHE L 10 28.611 -4.057 46.451 1.00 44.51 C +ATOM 1015 C PHE L 10 30.132 -4.026 46.452 1.00 44.97 C +ATOM 1016 O PHE L 10 30.798 -5.061 46.533 1.00 50.61 O +ATOM 1017 CB PHE L 10 28.076 -3.588 47.812 1.00 37.65 C +ATOM 1018 CG PHE L 10 26.584 -3.444 47.858 1.00 42.18 C +ATOM 1019 CD1 PHE L 10 25.985 -2.221 47.606 1.00 49.16 C +ATOM 1020 CD2 PHE L 10 25.779 -4.532 48.148 1.00 44.50 C +ATOM 1021 CE1 PHE L 10 24.611 -2.085 47.645 1.00 49.84 C +ATOM 1022 CE2 PHE L 10 24.404 -4.402 48.188 1.00 51.82 C +ATOM 1023 CZ PHE L 10 23.819 -3.177 47.936 1.00 50.82 C +ATOM 1024 N MET L 11 30.677 -2.815 46.366 1.00 45.47 N +ATOM 1025 CA MET L 11 32.120 -2.634 46.297 1.00 49.76 C +ATOM 1026 C MET L 11 32.446 -1.205 46.701 1.00 49.53 C +ATOM 1027 O MET L 11 31.854 -0.262 46.168 1.00 44.89 O +ATOM 1028 CB MET L 11 32.631 -2.934 44.887 1.00 58.01 C +ATOM 1029 CG MET L 11 34.138 -2.875 44.737 1.00 77.29 C +ATOM 1030 SD MET L 11 34.680 -3.478 43.128 1.00 93.01 S +ATOM 1031 CE MET L 11 34.260 -5.214 43.245 1.00 92.67 C +ATOM 1032 N SER L 12 33.377 -1.051 47.637 1.00 51.60 N +ATOM 1033 CA SER L 12 33.737 0.251 48.178 1.00 52.19 C +ATOM 1034 C SER L 12 35.072 0.722 47.613 1.00 48.75 C +ATOM 1035 O SER L 12 35.948 -0.082 47.282 1.00 44.04 O +ATOM 1036 CB SER L 12 33.813 0.204 49.704 1.00 58.95 C +ATOM 1037 OG SER L 12 32.536 0.413 50.282 1.00 67.67 O +ATOM 1038 N ALA L 13 35.218 2.043 47.511 1.00 41.96 N +ATOM 1039 CA ALA L 13 36.439 2.638 46.991 1.00 36.25 C +ATOM 1040 C ALA L 13 36.525 4.092 47.424 1.00 35.19 C +ATOM 1041 O ALA L 13 35.527 4.814 47.396 1.00 35.59 O +ATOM 1042 CB ALA L 13 36.489 2.558 45.464 1.00 33.98 C +ATOM 1043 N SER L 14 37.719 4.507 47.820 1.00 25.07 N +ATOM 1044 CA SER L 14 38.023 5.920 47.951 1.00 27.88 C +ATOM 1045 C SER L 14 38.470 6.465 46.600 1.00 30.55 C +ATOM 1046 O SER L 14 38.923 5.724 45.724 1.00 27.38 O +ATOM 1047 CB SER L 14 39.115 6.147 48.995 1.00 35.15 C +ATOM 1048 OG SER L 14 38.758 5.584 50.243 1.00 41.92 O +ATOM 1049 N VAL L 15 38.328 7.781 46.430 1.00 29.86 N +ATOM 1050 CA VAL L 15 38.864 8.427 45.240 1.00 27.59 C +ATOM 1051 C VAL L 15 40.355 8.144 45.162 1.00 32.35 C +ATOM 1052 O VAL L 15 41.079 8.251 46.160 1.00 40.36 O +ATOM 1053 CB VAL L 15 38.567 9.934 45.268 1.00 32.68 C +ATOM 1054 CG1 VAL L 15 39.351 10.668 44.179 1.00 28.39 C +ATOM 1055 CG2 VAL L 15 37.071 10.175 45.096 1.00 32.00 C +ATOM 1056 N GLY L 16 40.822 7.767 43.973 1.00 29.54 N +ATOM 1057 CA GLY L 16 42.209 7.414 43.771 1.00 32.45 C +ATOM 1058 C GLY L 16 42.525 5.944 43.949 1.00 36.69 C +ATOM 1059 O GLY L 16 43.644 5.525 43.625 1.00 45.44 O +ATOM 1060 N ASP L 17 41.583 5.148 44.447 1.00 32.73 N +ATOM 1061 CA ASP L 17 41.825 3.734 44.675 1.00 38.60 C +ATOM 1062 C ASP L 17 41.694 2.946 43.374 1.00 40.08 C +ATOM 1063 O ASP L 17 41.230 3.448 42.347 1.00 35.60 O +ATOM 1064 CB ASP L 17 40.853 3.185 45.719 1.00 49.60 C +ATOM 1065 CG ASP L 17 41.251 3.548 47.135 1.00 64.26 C +ATOM 1066 OD1 ASP L 17 42.080 4.466 47.306 1.00 71.19 O +ATOM 1067 OD2 ASP L 17 40.730 2.914 48.078 1.00 67.99 O +ATOM 1068 N ARG L 18 42.119 1.689 43.434 1.00 40.89 N +ATOM 1069 CA ARG L 18 42.015 0.753 42.323 1.00 39.64 C +ATOM 1070 C ARG L 18 41.035 -0.343 42.716 1.00 40.46 C +ATOM 1071 O ARG L 18 41.280 -1.080 43.676 1.00 42.75 O +ATOM 1072 CB ARG L 18 43.384 0.162 41.987 1.00 43.70 C +ATOM 1073 CG ARG L 18 43.437 -0.673 40.717 1.00 53.13 C +ATOM 1074 CD ARG L 18 44.851 -1.195 40.486 1.00 62.14 C +ATOM 1075 NE ARG L 18 45.144 -1.412 39.071 1.00 73.82 N +ATOM 1076 CZ ARG L 18 45.161 -2.598 38.467 1.00 84.44 C +ATOM 1077 NH1 ARG L 18 44.900 -3.712 39.141 1.00 86.89 N +ATOM 1078 NH2 ARG L 18 45.443 -2.671 37.172 1.00 86.24 N +ATOM 1079 N VAL L 19 39.921 -0.434 41.994 1.00 41.51 N +ATOM 1080 CA VAL L 19 38.944 -1.492 42.217 1.00 44.08 C +ATOM 1081 C VAL L 19 38.826 -2.324 40.953 1.00 38.54 C +ATOM 1082 O VAL L 19 39.074 -1.850 39.839 1.00 34.18 O +ATOM 1083 CB VAL L 19 37.556 -0.955 42.625 1.00 45.97 C +ATOM 1084 CG1 VAL L 19 37.600 -0.395 44.017 1.00 56.08 C +ATOM 1085 CG2 VAL L 19 37.056 0.081 41.628 1.00 45.99 C +ATOM 1086 N SER L 20 38.429 -3.577 41.139 1.00 36.31 N +ATOM 1087 CA SER L 20 38.239 -4.503 40.035 1.00 40.66 C +ATOM 1088 C SER L 20 36.943 -5.267 40.251 1.00 38.40 C +ATOM 1089 O SER L 20 36.733 -5.848 41.320 1.00 34.00 O +ATOM 1090 CB SER L 20 39.422 -5.468 39.921 1.00 43.15 C +ATOM 1091 OG SER L 20 39.675 -6.112 41.156 1.00 53.06 O +ATOM 1092 N VAL L 21 36.074 -5.252 39.245 1.00 37.12 N +ATOM 1093 CA VAL L 21 34.827 -6.006 39.263 1.00 32.11 C +ATOM 1094 C VAL L 21 35.046 -7.292 38.483 1.00 30.73 C +ATOM 1095 O VAL L 21 35.588 -7.264 37.372 1.00 34.87 O +ATOM 1096 CB VAL L 21 33.670 -5.190 38.663 1.00 32.90 C +ATOM 1097 CG1 VAL L 21 32.388 -6.015 38.642 1.00 36.03 C +ATOM 1098 CG2 VAL L 21 33.468 -3.902 39.446 1.00 44.05 C +ATOM 1099 N THR L 22 34.616 -8.413 39.054 1.00 30.00 N +ATOM 1100 CA THR L 22 34.801 -9.720 38.445 1.00 34.27 C +ATOM 1101 C THR L 22 33.487 -10.230 37.865 1.00 38.46 C +ATOM 1102 O THR L 22 32.402 -9.940 38.377 1.00 33.81 O +ATOM 1103 CB THR L 22 35.344 -10.729 39.462 1.00 36.68 C +ATOM 1104 OG1 THR L 22 34.461 -10.806 40.588 1.00 38.67 O +ATOM 1105 CG2 THR L 22 36.731 -10.314 39.931 1.00 37.17 C +ATOM 1106 N CYS L 23 33.606 -10.993 36.781 1.00 36.05 N +ATOM 1107 CA CYS L 23 32.462 -11.571 36.086 1.00 42.82 C +ATOM 1108 C CYS L 23 32.860 -12.970 35.643 1.00 39.51 C +ATOM 1109 O CYS L 23 33.830 -13.129 34.895 1.00 33.83 O +ATOM 1110 CB CYS L 23 32.056 -10.704 34.887 1.00 49.84 C +ATOM 1111 SG CYS L 23 30.731 -11.350 33.837 1.00 63.93 S +ATOM 1112 N LYS L 24 32.133 -13.979 36.115 1.00 34.74 N +ATOM 1113 CA LYS L 24 32.438 -15.372 35.812 1.00 31.89 C +ATOM 1114 C LYS L 24 31.305 -15.965 34.988 1.00 27.93 C +ATOM 1115 O LYS L 24 30.175 -16.081 35.474 1.00 34.44 O +ATOM 1116 CB LYS L 24 32.650 -16.183 37.090 1.00 39.25 C +ATOM 1117 CG LYS L 24 33.018 -17.638 36.826 1.00 53.00 C +ATOM 1118 CD LYS L 24 33.510 -18.347 38.080 1.00 54.52 C +ATOM 1119 CE LYS L 24 34.890 -18.951 37.867 1.00 55.04 C +ATOM 1120 NZ LYS L 24 34.924 -19.900 36.717 1.00 54.51 N +ATOM 1121 N ALA L 25 31.608 -16.336 33.748 1.00 33.29 N +ATOM 1122 CA ALA L 25 30.640 -17.014 32.897 1.00 29.16 C +ATOM 1123 C ALA L 25 30.604 -18.500 33.227 1.00 32.64 C +ATOM 1124 O ALA L 25 31.636 -19.110 33.524 1.00 30.97 O +ATOM 1125 CB ALA L 25 30.989 -16.812 31.423 1.00 25.34 C +ATOM 1126 N SER L 26 29.404 -19.083 33.174 1.00 31.43 N +ATOM 1127 CA SER L 26 29.243 -20.489 33.526 1.00 29.91 C +ATOM 1128 C SER L 26 29.921 -21.417 32.525 1.00 33.45 C +ATOM 1129 O SER L 26 30.173 -22.581 32.851 1.00 35.11 O +ATOM 1130 CB SER L 26 27.758 -20.834 33.640 1.00 26.83 C +ATOM 1131 OG SER L 26 27.077 -20.582 32.424 1.00 31.40 O +ATOM 1132 N GLN L 27 30.219 -20.935 31.322 1.00 36.19 N +ATOM 1133 CA GLN L 27 30.974 -21.716 30.354 1.00 32.67 C +ATOM 1134 C GLN L 27 31.703 -20.756 29.425 1.00 32.49 C +ATOM 1135 O GLN L 27 31.515 -19.538 29.483 1.00 40.36 O +ATOM 1136 CB GLN L 27 30.069 -22.678 29.574 1.00 37.82 C +ATOM 1137 CG GLN L 27 29.061 -22.011 28.661 1.00 39.16 C +ATOM 1138 CD GLN L 27 28.108 -23.010 28.027 1.00 41.65 C +ATOM 1139 OE1 GLN L 27 28.102 -23.196 26.809 1.00 40.60 O +ATOM 1140 NE2 GLN L 27 27.297 -23.659 28.853 1.00 37.03 N +ATOM 1141 N ASN L 28 32.542 -21.325 28.564 1.00 27.89 N +ATOM 1142 CA ASN L 28 33.434 -20.525 27.733 1.00 35.69 C +ATOM 1143 C ASN L 28 32.654 -19.532 26.878 1.00 33.22 C +ATOM 1144 O ASN L 28 31.654 -19.886 26.245 1.00 38.40 O +ATOM 1145 CB ASN L 28 34.275 -21.443 26.845 1.00 38.58 C +ATOM 1146 CG ASN L 28 35.032 -20.685 25.773 1.00 47.77 C +ATOM 1147 OD1 ASN L 28 35.901 -19.865 26.071 1.00 41.99 O +ATOM 1148 ND2 ASN L 28 34.714 -20.966 24.514 1.00 54.81 N +ATOM 1149 N VAL L 29 33.118 -18.280 26.866 1.00 25.85 N +ATOM 1150 CA VAL L 29 32.563 -17.250 25.994 1.00 24.92 C +ATOM 1151 C VAL L 29 33.688 -16.571 25.221 1.00 26.57 C +ATOM 1152 O VAL L 29 33.467 -15.556 24.551 1.00 26.17 O +ATOM 1153 CB VAL L 29 31.745 -16.215 26.790 1.00 26.85 C +ATOM 1154 CG1 VAL L 29 30.551 -16.879 27.464 1.00 30.88 C +ATOM 1155 CG2 VAL L 29 32.613 -15.504 27.819 1.00 29.05 C +ATOM 1156 N GLY L 30 34.898 -17.123 25.301 1.00 30.28 N +ATOM 1157 CA GLY L 30 36.023 -16.537 24.587 1.00 25.73 C +ATOM 1158 C GLY L 30 36.316 -15.142 25.101 1.00 27.98 C +ATOM 1159 O GLY L 30 36.486 -14.921 26.305 1.00 25.46 O +ATOM 1160 N THR L 31 36.389 -14.184 24.176 1.00 24.65 N +ATOM 1161 CA THR L 31 36.493 -12.771 24.516 1.00 24.21 C +ATOM 1162 C THR L 31 35.248 -11.999 24.100 1.00 23.08 C +ATOM 1163 O THR L 31 35.289 -10.770 23.997 1.00 30.36 O +ATOM 1164 CB THR L 31 37.733 -12.149 23.873 1.00 26.94 C +ATOM 1165 OG1 THR L 31 37.731 -12.415 22.465 1.00 32.82 O +ATOM 1166 CG2 THR L 31 39.002 -12.706 24.501 1.00 33.73 C +ATOM 1167 N HIS L 32 34.139 -12.697 23.859 1.00 24.42 N +ATOM 1168 CA HIS L 32 32.885 -12.057 23.464 1.00 31.65 C +ATOM 1169 C HIS L 32 32.155 -11.580 24.720 1.00 29.17 C +ATOM 1170 O HIS L 32 31.115 -12.106 25.123 1.00 29.49 O +ATOM 1171 CB HIS L 32 32.037 -13.019 22.644 1.00 31.09 C +ATOM 1172 CG HIS L 32 32.612 -13.329 21.296 1.00 35.23 C +ATOM 1173 ND1 HIS L 32 32.501 -14.570 20.707 1.00 33.26 N +ATOM 1174 CD2 HIS L 32 33.302 -12.559 20.421 1.00 35.59 C +ATOM 1175 CE1 HIS L 32 33.098 -14.553 19.530 1.00 35.19 C +ATOM 1176 NE2 HIS L 32 33.592 -13.344 19.331 1.00 38.16 N +ATOM 1177 N LEU L 33 32.731 -10.552 25.342 1.00 26.99 N +ATOM 1178 CA LEU L 33 32.201 -9.991 26.575 1.00 25.24 C +ATOM 1179 C LEU L 33 32.298 -8.473 26.531 1.00 24.03 C +ATOM 1180 O LEU L 33 33.280 -7.922 26.028 1.00 27.44 O +ATOM 1181 CB LEU L 33 32.958 -10.520 27.800 1.00 30.19 C +ATOM 1182 CG LEU L 33 32.445 -10.017 29.151 1.00 26.34 C +ATOM 1183 CD1 LEU L 33 31.804 -11.147 29.932 1.00 30.11 C +ATOM 1184 CD2 LEU L 33 33.568 -9.367 29.942 1.00 28.97 C +ATOM 1185 N ALA L 34 31.279 -7.805 27.070 1.00 23.63 N +ATOM 1186 CA ALA L 34 31.244 -6.352 27.147 1.00 24.91 C +ATOM 1187 C ALA L 34 30.944 -5.922 28.576 1.00 22.18 C +ATOM 1188 O ALA L 34 30.319 -6.658 29.345 1.00 21.37 O +ATOM 1189 CB ALA L 34 30.195 -5.761 26.192 1.00 19.12 C +ATOM 1190 N TRP L 35 31.400 -4.722 28.924 1.00 24.09 N +ATOM 1191 CA TRP L 35 31.158 -4.129 30.233 1.00 26.06 C +ATOM 1192 C TRP L 35 30.381 -2.830 30.073 1.00 30.19 C +ATOM 1193 O TRP L 35 30.629 -2.056 29.142 1.00 20.21 O +ATOM 1194 CB TRP L 35 32.469 -3.846 30.974 1.00 29.05 C +ATOM 1195 CG TRP L 35 33.112 -5.057 31.569 1.00 25.35 C +ATOM 1196 CD1 TRP L 35 34.136 -5.787 31.041 1.00 23.94 C +ATOM 1197 CD2 TRP L 35 32.778 -5.676 32.816 1.00 26.55 C +ATOM 1198 NE1 TRP L 35 34.461 -6.824 31.884 1.00 26.15 N +ATOM 1199 CE2 TRP L 35 33.641 -6.777 32.980 1.00 20.27 C +ATOM 1200 CE3 TRP L 35 31.833 -5.404 33.810 1.00 32.70 C +ATOM 1201 CZ2 TRP L 35 33.587 -7.605 34.098 1.00 22.64 C +ATOM 1202 CZ3 TRP L 35 31.781 -6.230 34.919 1.00 30.31 C +ATOM 1203 CH2 TRP L 35 32.653 -7.316 35.054 1.00 26.13 C +ATOM 1204 N TYR L 36 29.451 -2.589 30.994 1.00 26.34 N +ATOM 1205 CA TYR L 36 28.589 -1.420 30.938 1.00 23.47 C +ATOM 1206 C TYR L 36 28.582 -0.701 32.277 1.00 24.06 C +ATOM 1207 O TYR L 36 28.836 -1.296 33.328 1.00 21.39 O +ATOM 1208 CB TYR L 36 27.157 -1.806 30.556 1.00 23.87 C +ATOM 1209 CG TYR L 36 27.050 -2.411 29.177 1.00 21.97 C +ATOM 1210 CD1 TYR L 36 26.867 -1.609 28.061 1.00 21.07 C +ATOM 1211 CD2 TYR L 36 27.137 -3.785 28.992 1.00 21.63 C +ATOM 1212 CE1 TYR L 36 26.769 -2.157 26.796 1.00 25.79 C +ATOM 1213 CE2 TYR L 36 27.041 -4.342 27.732 1.00 19.25 C +ATOM 1214 CZ TYR L 36 26.857 -3.524 26.639 1.00 21.62 C +ATOM 1215 OH TYR L 36 26.762 -4.076 25.385 1.00 25.60 O +ATOM 1216 N GLN L 37 28.290 0.595 32.217 1.00 22.93 N +ATOM 1217 CA GLN L 37 28.113 1.437 33.390 1.00 29.28 C +ATOM 1218 C GLN L 37 26.697 1.992 33.384 1.00 27.86 C +ATOM 1219 O GLN L 37 26.195 2.416 32.339 1.00 31.09 O +ATOM 1220 CB GLN L 37 29.120 2.594 33.403 1.00 22.85 C +ATOM 1221 CG GLN L 37 29.014 3.512 34.612 1.00 23.37 C +ATOM 1222 CD GLN L 37 29.848 4.769 34.459 1.00 29.79 C +ATOM 1223 OE1 GLN L 37 29.596 5.586 33.576 1.00 30.70 O +ATOM 1224 NE2 GLN L 37 30.850 4.926 35.315 1.00 31.71 N +ATOM 1225 N GLN L 38 26.055 1.989 34.550 1.00 22.69 N +ATOM 1226 CA GLN L 38 24.719 2.552 34.678 1.00 27.96 C +ATOM 1227 C GLN L 38 24.604 3.290 36.000 1.00 26.74 C +ATOM 1228 O GLN L 38 24.900 2.728 37.059 1.00 25.75 O +ATOM 1229 CB GLN L 38 23.637 1.470 34.589 1.00 22.61 C +ATOM 1230 CG GLN L 38 22.227 2.038 34.485 1.00 27.24 C +ATOM 1231 CD GLN L 38 21.169 0.964 34.323 1.00 25.11 C +ATOM 1232 OE1 GLN L 38 21.374 -0.185 34.702 1.00 28.81 O +ATOM 1233 NE2 GLN L 38 20.032 1.335 33.750 1.00 26.80 N +ATOM 1234 N LYS L 39 24.185 4.525 35.931 1.00 32.33 N +ATOM 1235 CA LYS L 39 23.873 5.317 37.104 1.00 37.51 C +ATOM 1236 C LYS L 39 22.364 5.382 37.296 1.00 35.45 C +ATOM 1237 O LYS L 39 21.607 5.261 36.328 1.00 35.18 O +ATOM 1238 CB LYS L 39 24.446 6.731 36.963 1.00 37.97 C +ATOM 1239 CG LYS L 39 25.939 6.731 36.678 1.00 39.73 C +ATOM 1240 CD LYS L 39 26.538 8.124 36.668 1.00 44.97 C +ATOM 1241 CE LYS L 39 28.027 8.069 36.345 1.00 46.09 C +ATOM 1242 NZ LYS L 39 28.594 9.414 36.053 1.00 49.08 N +ATOM 1243 N PRO L 40 21.884 5.551 38.528 1.00 41.05 N +ATOM 1244 CA PRO L 40 20.436 5.474 38.763 1.00 38.28 C +ATOM 1245 C PRO L 40 19.675 6.494 37.930 1.00 41.11 C +ATOM 1246 O PRO L 40 20.080 7.651 37.802 1.00 42.81 O +ATOM 1247 CB PRO L 40 20.301 5.751 40.266 1.00 47.20 C +ATOM 1248 CG PRO L 40 21.595 6.379 40.677 1.00 48.44 C +ATOM 1249 CD PRO L 40 22.634 5.821 39.765 1.00 46.17 C +ATOM 1250 N GLY L 41 18.561 6.046 37.353 1.00 46.01 N +ATOM 1251 CA GLY L 41 17.732 6.889 36.521 1.00 52.02 C +ATOM 1252 C GLY L 41 18.232 7.097 35.108 1.00 56.23 C +ATOM 1253 O GLY L 41 17.585 7.824 34.344 1.00 64.47 O +ATOM 1254 N GLN L 42 19.353 6.486 34.732 1.00 45.04 N +ATOM 1255 CA GLN L 42 19.941 6.665 33.414 1.00 40.11 C +ATOM 1256 C GLN L 42 20.075 5.322 32.709 1.00 36.93 C +ATOM 1257 O GLN L 42 20.104 4.260 33.338 1.00 35.93 O +ATOM 1258 CB GLN L 42 21.317 7.333 33.505 1.00 42.79 C +ATOM 1259 CG GLN L 42 21.306 8.698 34.166 1.00 55.89 C +ATOM 1260 CD GLN L 42 22.695 9.293 34.283 1.00 63.52 C +ATOM 1261 OE1 GLN L 42 23.641 8.820 33.652 1.00 59.62 O +ATOM 1262 NE2 GLN L 42 22.825 10.335 35.097 1.00 71.59 N +ATOM 1263 N SER L 43 20.157 5.386 31.384 1.00 37.32 N +ATOM 1264 CA SER L 43 20.386 4.194 30.593 1.00 37.66 C +ATOM 1265 C SER L 43 21.843 3.753 30.723 1.00 27.55 C +ATOM 1266 O SER L 43 22.721 4.564 31.028 1.00 26.13 O +ATOM 1267 CB SER L 43 20.043 4.454 29.129 1.00 40.13 C +ATOM 1268 OG SER L 43 20.719 5.600 28.647 1.00 51.23 O +ATOM 1269 N PRO L 44 22.128 2.470 30.503 1.00 28.77 N +ATOM 1270 CA PRO L 44 23.520 2.010 30.564 1.00 28.89 C +ATOM 1271 C PRO L 44 24.377 2.665 29.492 1.00 29.10 C +ATOM 1272 O PRO L 44 23.886 3.148 28.469 1.00 24.74 O +ATOM 1273 CB PRO L 44 23.412 0.496 30.339 1.00 22.99 C +ATOM 1274 CG PRO L 44 21.995 0.154 30.631 1.00 28.66 C +ATOM 1275 CD PRO L 44 21.190 1.360 30.268 1.00 29.18 C +ATOM 1276 N LYS L 45 25.686 2.670 29.742 1.00 32.14 N +ATOM 1277 CA LYS L 45 26.670 3.180 28.799 1.00 30.60 C +ATOM 1278 C LYS L 45 27.731 2.114 28.567 1.00 31.30 C +ATOM 1279 O LYS L 45 28.127 1.405 29.497 1.00 22.41 O +ATOM 1280 CB LYS L 45 27.326 4.469 29.314 1.00 47.24 C +ATOM 1281 CG LYS L 45 26.344 5.547 29.762 1.00 59.17 C +ATOM 1282 CD LYS L 45 25.523 6.095 28.602 1.00 75.38 C +ATOM 1283 CE LYS L 45 24.567 7.186 29.069 1.00 84.60 C +ATOM 1284 NZ LYS L 45 23.769 7.762 27.951 1.00 86.97 N +ATOM 1285 N ALA L 46 28.185 2.001 27.323 1.00 30.19 N +ATOM 1286 CA ALA L 46 29.209 1.022 26.989 1.00 27.78 C +ATOM 1287 C ALA L 46 30.566 1.457 27.530 1.00 33.06 C +ATOM 1288 O ALA L 46 30.945 2.628 27.434 1.00 29.20 O +ATOM 1289 CB ALA L 46 29.286 0.830 25.476 1.00 23.38 C +ATOM 1290 N LEU L 47 31.296 0.502 28.109 1.00 27.23 N +ATOM 1291 CA LEU L 47 32.659 0.730 28.577 1.00 21.86 C +ATOM 1292 C LEU L 47 33.660 -0.109 27.797 1.00 28.11 C +ATOM 1293 O LEU L 47 34.592 0.438 27.198 1.00 27.42 O +ATOM 1294 CB LEU L 47 32.783 0.410 30.072 1.00 21.48 C +ATOM 1295 CG LEU L 47 32.017 1.251 31.087 1.00 27.71 C +ATOM 1296 CD1 LEU L 47 32.348 0.741 32.480 1.00 26.66 C +ATOM 1297 CD2 LEU L 47 32.356 2.726 30.958 1.00 26.79 C +ATOM 1298 N ILE L 48 33.492 -1.428 27.800 1.00 27.42 N +ATOM 1299 CA ILE L 48 34.433 -2.361 27.201 1.00 22.82 C +ATOM 1300 C ILE L 48 33.659 -3.288 26.278 1.00 24.33 C +ATOM 1301 O ILE L 48 32.517 -3.658 26.570 1.00 22.29 O +ATOM 1302 CB ILE L 48 35.178 -3.179 28.279 1.00 29.95 C +ATOM 1303 CG1 ILE L 48 35.872 -2.251 29.286 1.00 29.50 C +ATOM 1304 CG2 ILE L 48 36.169 -4.148 27.642 1.00 25.43 C +ATOM 1305 CD1 ILE L 48 36.997 -1.425 28.704 1.00 35.12 C +ATOM 1306 N TYR L 49 34.277 -3.654 25.159 1.00 28.69 N +ATOM 1307 CA TYR L 49 33.772 -4.727 24.320 1.00 25.18 C +ATOM 1308 C TYR L 49 34.949 -5.604 23.921 1.00 26.54 C +ATOM 1309 O TYR L 49 36.110 -5.198 24.007 1.00 27.85 O +ATOM 1310 CB TYR L 49 33.028 -4.194 23.084 1.00 25.43 C +ATOM 1311 CG TYR L 49 33.900 -3.496 22.066 1.00 37.35 C +ATOM 1312 CD1 TYR L 49 34.414 -4.186 20.978 1.00 36.32 C +ATOM 1313 CD2 TYR L 49 34.197 -2.144 22.184 1.00 40.42 C +ATOM 1314 CE1 TYR L 49 35.205 -3.555 20.040 1.00 38.79 C +ATOM 1315 CE2 TYR L 49 34.989 -1.504 21.249 1.00 44.00 C +ATOM 1316 CZ TYR L 49 35.489 -2.215 20.179 1.00 44.70 C +ATOM 1317 OH TYR L 49 36.279 -1.585 19.245 1.00 52.96 O +ATOM 1318 N SER L 50 34.636 -6.829 23.503 1.00 25.39 N +ATOM 1319 CA SER L 50 35.659 -7.825 23.195 1.00 29.15 C +ATOM 1320 C SER L 50 36.594 -8.025 24.386 1.00 27.78 C +ATOM 1321 O SER L 50 37.800 -8.216 24.230 1.00 23.10 O +ATOM 1322 CB SER L 50 36.445 -7.434 21.944 1.00 29.11 C +ATOM 1323 OG SER L 50 37.344 -8.463 21.569 1.00 36.18 O +ATOM 1324 N ALA L 51 36.028 -7.945 25.592 1.00 28.48 N +ATOM 1325 CA ALA L 51 36.736 -8.236 26.837 1.00 28.44 C +ATOM 1326 C ALA L 51 37.722 -7.146 27.249 1.00 28.38 C +ATOM 1327 O ALA L 51 37.853 -6.857 28.443 1.00 26.60 O +ATOM 1328 CB ALA L 51 37.474 -9.576 26.736 1.00 26.71 C +ATOM 1329 N SER L 52 38.427 -6.540 26.289 1.00 19.34 N +ATOM 1330 CA SER L 52 39.502 -5.616 26.624 1.00 30.49 C +ATOM 1331 C SER L 52 39.553 -4.362 25.760 1.00 32.81 C +ATOM 1332 O SER L 52 40.381 -3.488 26.036 1.00 33.93 O +ATOM 1333 CB SER L 52 40.859 -6.336 26.534 1.00 30.29 C +ATOM 1334 OG SER L 52 41.099 -6.806 25.219 1.00 36.58 O +ATOM 1335 N TYR L 53 38.714 -4.237 24.734 1.00 33.88 N +ATOM 1336 CA TYR L 53 38.711 -3.036 23.909 1.00 29.89 C +ATOM 1337 C TYR L 53 37.878 -1.958 24.588 1.00 35.04 C +ATOM 1338 O TYR L 53 36.734 -2.204 24.985 1.00 30.19 O +ATOM 1339 CB TYR L 53 38.146 -3.318 22.516 1.00 36.65 C +ATOM 1340 CG TYR L 53 38.934 -4.293 21.663 1.00 50.00 C +ATOM 1341 CD1 TYR L 53 38.605 -4.479 20.327 1.00 61.40 C +ATOM 1342 CD2 TYR L 53 39.991 -5.032 22.184 1.00 56.70 C +ATOM 1343 CE1 TYR L 53 39.305 -5.363 19.531 1.00 68.01 C +ATOM 1344 CE2 TYR L 53 40.697 -5.922 21.395 1.00 63.08 C +ATOM 1345 CZ TYR L 53 40.349 -6.082 20.070 1.00 69.53 C +ATOM 1346 OH TYR L 53 41.047 -6.965 19.277 1.00 71.74 O +ATOM 1347 N ARG L 54 38.447 -0.763 24.716 1.00 32.86 N +ATOM 1348 CA ARG L 54 37.737 0.345 25.338 1.00 32.99 C +ATOM 1349 C ARG L 54 36.829 1.023 24.322 1.00 30.44 C +ATOM 1350 O ARG L 54 37.249 1.322 23.199 1.00 26.31 O +ATOM 1351 CB ARG L 54 38.722 1.358 25.918 1.00 35.05 C +ATOM 1352 CG ARG L 54 38.572 1.554 27.415 1.00 46.17 C +ATOM 1353 CD ARG L 54 39.584 2.538 27.962 1.00 49.88 C +ATOM 1354 NE ARG L 54 40.951 2.164 27.606 1.00 55.14 N +ATOM 1355 CZ ARG L 54 41.711 2.802 26.719 1.00 66.09 C +ATOM 1356 NH1 ARG L 54 41.258 3.875 26.080 1.00 71.26 N +ATOM 1357 NH2 ARG L 54 42.940 2.368 26.476 1.00 68.68 N +ATOM 1358 N TYR L 55 35.580 1.257 24.715 1.00 28.78 N +ATOM 1359 CA TYR L 55 34.669 2.008 23.869 1.00 34.82 C +ATOM 1360 C TYR L 55 35.188 3.435 23.678 1.00 33.13 C +ATOM 1361 O TYR L 55 35.929 3.973 24.505 1.00 32.38 O +ATOM 1362 CB TYR L 55 33.263 1.997 24.469 1.00 33.54 C +ATOM 1363 CG TYR L 55 32.236 2.719 23.630 1.00 29.51 C +ATOM 1364 CD1 TYR L 55 31.597 3.850 24.112 1.00 27.51 C +ATOM 1365 CD2 TYR L 55 31.913 2.276 22.353 1.00 28.64 C +ATOM 1366 CE1 TYR L 55 30.657 4.517 23.353 1.00 30.47 C +ATOM 1367 CE2 TYR L 55 30.974 2.938 21.583 1.00 29.93 C +ATOM 1368 CZ TYR L 55 30.349 4.058 22.087 1.00 33.68 C +ATOM 1369 OH TYR L 55 29.413 4.721 21.326 1.00 32.68 O +ATOM 1370 N SER L 56 34.766 4.050 22.569 1.00 40.29 N +ATOM 1371 CA SER L 56 35.475 5.193 21.994 1.00 51.49 C +ATOM 1372 C SER L 56 35.844 6.243 23.040 1.00 57.22 C +ATOM 1373 O SER L 56 37.025 6.544 23.246 1.00 69.70 O +ATOM 1374 CB SER L 56 34.628 5.811 20.877 1.00 51.19 C +ATOM 1375 OG SER L 56 35.202 7.017 20.399 1.00 55.12 O +ATOM 1376 N GLY L 57 34.850 6.820 23.707 1.00 43.86 N +ATOM 1377 CA GLY L 57 35.110 7.948 24.578 1.00 45.53 C +ATOM 1378 C GLY L 57 35.532 7.609 25.988 1.00 39.11 C +ATOM 1379 O GLY L 57 35.700 8.516 26.810 1.00 32.59 O +ATOM 1380 N VAL L 58 35.745 6.339 26.292 1.00 30.36 N +ATOM 1381 CA VAL L 58 35.884 5.901 27.680 1.00 32.92 C +ATOM 1382 C VAL L 58 37.302 6.206 28.160 1.00 31.44 C +ATOM 1383 O VAL L 58 38.263 5.949 27.420 1.00 32.81 O +ATOM 1384 CB VAL L 58 35.570 4.416 27.788 1.00 28.39 C +ATOM 1385 CG1 VAL L 58 35.968 3.850 29.150 1.00 26.29 C +ATOM 1386 CG2 VAL L 58 34.092 4.202 27.530 1.00 32.62 C +ATOM 1387 N PRO L 59 37.482 6.735 29.373 1.00 31.11 N +ATOM 1388 CA PRO L 59 38.841 6.999 29.867 1.00 32.92 C +ATOM 1389 C PRO L 59 39.661 5.720 29.985 1.00 37.14 C +ATOM 1390 O PRO L 59 39.137 4.643 30.277 1.00 29.62 O +ATOM 1391 CB PRO L 59 38.604 7.636 31.241 1.00 33.93 C +ATOM 1392 CG PRO L 59 37.194 8.104 31.224 1.00 38.13 C +ATOM 1393 CD PRO L 59 36.455 7.163 30.333 1.00 33.01 C +ATOM 1394 N ASP L 60 40.972 5.858 29.784 1.00 39.17 N +ATOM 1395 CA ASP L 60 41.867 4.706 29.744 1.00 47.58 C +ATOM 1396 C ASP L 60 42.166 4.124 31.121 1.00 43.01 C +ATOM 1397 O ASP L 60 42.924 3.151 31.209 1.00 45.90 O +ATOM 1398 CB ASP L 60 43.181 5.081 29.052 1.00 59.23 C +ATOM 1399 CG ASP L 60 44.101 5.891 29.944 1.00 71.88 C +ATOM 1400 OD1 ASP L 60 45.334 5.724 29.833 1.00 75.57 O +ATOM 1401 OD2 ASP L 60 43.593 6.693 30.755 1.00 76.73 O +ATOM 1402 N ARG L 61 41.607 4.684 32.190 1.00 37.47 N +ATOM 1403 CA ARG L 61 41.700 4.053 33.499 1.00 38.23 C +ATOM 1404 C ARG L 61 40.658 2.957 33.685 1.00 33.92 C +ATOM 1405 O ARG L 61 40.671 2.279 34.718 1.00 34.48 O +ATOM 1406 CB ARG L 61 41.566 5.105 34.601 1.00 40.93 C +ATOM 1407 CG ARG L 61 40.222 5.790 34.638 1.00 44.58 C +ATOM 1408 CD ARG L 61 40.305 7.135 35.334 1.00 47.39 C +ATOM 1409 NE ARG L 61 39.044 7.856 35.215 1.00 43.73 N +ATOM 1410 CZ ARG L 61 37.984 7.635 35.983 1.00 33.27 C +ATOM 1411 NH1 ARG L 61 38.032 6.715 36.936 1.00 35.22 N +ATOM 1412 NH2 ARG L 61 36.874 8.335 35.798 1.00 35.38 N +ATOM 1413 N PHE L 62 39.757 2.782 32.721 1.00 28.38 N +ATOM 1414 CA PHE L 62 38.916 1.596 32.639 1.00 28.73 C +ATOM 1415 C PHE L 62 39.631 0.566 31.775 1.00 31.41 C +ATOM 1416 O PHE L 62 39.864 0.806 30.585 1.00 36.12 O +ATOM 1417 CB PHE L 62 37.548 1.920 32.038 1.00 26.12 C +ATOM 1418 CG PHE L 62 36.689 2.793 32.904 1.00 29.90 C +ATOM 1419 CD1 PHE L 62 35.860 2.237 33.863 1.00 27.71 C +ATOM 1420 CD2 PHE L 62 36.695 4.170 32.746 1.00 30.96 C +ATOM 1421 CE1 PHE L 62 35.060 3.037 34.658 1.00 27.67 C +ATOM 1422 CE2 PHE L 62 35.898 4.975 33.536 1.00 32.04 C +ATOM 1423 CZ PHE L 62 35.079 4.408 34.494 1.00 27.71 C +ATOM 1424 N THR L 63 39.986 -0.570 32.370 1.00 29.89 N +ATOM 1425 CA THR L 63 40.635 -1.654 31.648 1.00 34.71 C +ATOM 1426 C THR L 63 39.864 -2.944 31.877 1.00 38.56 C +ATOM 1427 O THR L 63 39.419 -3.225 32.994 1.00 32.90 O +ATOM 1428 CB THR L 63 42.095 -1.841 32.089 1.00 43.50 C +ATOM 1429 OG1 THR L 63 42.144 -2.106 33.495 1.00 51.46 O +ATOM 1430 CG2 THR L 63 42.919 -0.601 31.778 1.00 45.66 C +ATOM 1431 N GLY L 64 39.702 -3.717 30.811 1.00 36.27 N +ATOM 1432 CA GLY L 64 39.076 -5.028 30.877 1.00 33.51 C +ATOM 1433 C GLY L 64 40.096 -6.104 30.545 1.00 34.66 C +ATOM 1434 O GLY L 64 40.960 -5.906 29.688 1.00 36.21 O +ATOM 1435 N SER L 65 39.991 -7.236 31.234 1.00 29.09 N +ATOM 1436 CA SER L 65 40.895 -8.352 31.005 1.00 36.68 C +ATOM 1437 C SER L 65 40.147 -9.652 31.259 1.00 32.05 C +ATOM 1438 O SER L 65 39.050 -9.665 31.824 1.00 25.26 O +ATOM 1439 CB SER L 65 42.138 -8.255 31.896 1.00 38.84 C +ATOM 1440 OG SER L 65 41.781 -8.220 33.267 1.00 43.10 O +ATOM 1441 N GLY L 66 40.757 -10.747 30.831 1.00 29.96 N +ATOM 1442 CA GLY L 66 40.199 -12.072 31.004 1.00 26.01 C +ATOM 1443 C GLY L 66 39.796 -12.699 29.679 1.00 24.95 C +ATOM 1444 O GLY L 66 39.730 -12.052 28.634 1.00 29.03 O +ATOM 1445 N SER L 67 39.527 -13.998 29.751 1.00 35.75 N +ATOM 1446 CA SER L 67 39.084 -14.767 28.596 1.00 45.43 C +ATOM 1447 C SER L 67 38.573 -16.110 29.092 1.00 42.13 C +ATOM 1448 O SER L 67 38.923 -16.560 30.188 1.00 39.41 O +ATOM 1449 CB SER L 67 40.208 -14.964 27.575 1.00 45.85 C +ATOM 1450 OG SER L 67 41.191 -15.858 28.068 1.00 52.61 O +ATOM 1451 N GLY L 68 37.742 -16.744 28.271 1.00 38.67 N +ATOM 1452 CA GLY L 68 37.146 -18.011 28.641 1.00 34.66 C +ATOM 1453 C GLY L 68 35.961 -17.843 29.569 1.00 33.73 C +ATOM 1454 O GLY L 68 34.834 -17.627 29.112 1.00 39.10 O +ATOM 1455 N THR L 69 36.204 -17.934 30.874 1.00 27.40 N +ATOM 1456 CA THR L 69 35.149 -17.830 31.874 1.00 35.69 C +ATOM 1457 C THR L 69 35.339 -16.689 32.860 1.00 35.23 C +ATOM 1458 O THR L 69 34.346 -16.175 33.375 1.00 38.97 O +ATOM 1459 CB THR L 69 35.036 -19.140 32.672 1.00 35.08 C +ATOM 1460 OG1 THR L 69 36.325 -19.510 33.178 1.00 34.35 O +ATOM 1461 CG2 THR L 69 34.489 -20.264 31.797 1.00 36.28 C +ATOM 1462 N ASP L 70 36.574 -16.274 33.133 1.00 32.89 N +ATOM 1463 CA ASP L 70 36.865 -15.297 34.175 1.00 34.25 C +ATOM 1464 C ASP L 70 37.243 -13.969 33.532 1.00 32.85 C +ATOM 1465 O ASP L 70 38.167 -13.911 32.713 1.00 31.94 O +ATOM 1466 CB ASP L 70 37.989 -15.795 35.084 1.00 44.27 C +ATOM 1467 CG ASP L 70 37.627 -17.080 35.804 1.00 58.96 C +ATOM 1468 OD1 ASP L 70 36.750 -17.815 35.306 1.00 60.10 O +ATOM 1469 OD2 ASP L 70 38.221 -17.355 36.868 1.00 67.99 O +ATOM 1470 N PHE L 71 36.531 -12.910 33.909 1.00 26.61 N +ATOM 1471 CA PHE L 71 36.747 -11.582 33.359 1.00 31.62 C +ATOM 1472 C PHE L 71 36.786 -10.567 34.490 1.00 31.73 C +ATOM 1473 O PHE L 71 36.194 -10.775 35.553 1.00 34.91 O +ATOM 1474 CB PHE L 71 35.651 -11.213 32.359 1.00 24.93 C +ATOM 1475 CG PHE L 71 35.506 -12.200 31.241 1.00 27.75 C +ATOM 1476 CD1 PHE L 71 36.187 -12.022 30.051 1.00 22.68 C +ATOM 1477 CD2 PHE L 71 34.701 -13.317 31.388 1.00 27.98 C +ATOM 1478 CE1 PHE L 71 36.061 -12.931 29.023 1.00 25.97 C +ATOM 1479 CE2 PHE L 71 34.570 -14.231 30.363 1.00 26.18 C +ATOM 1480 CZ PHE L 71 35.251 -14.038 29.179 1.00 31.78 C +ATOM 1481 N THR L 72 37.490 -9.464 34.251 1.00 29.24 N +ATOM 1482 CA THR L 72 37.665 -8.437 35.266 1.00 30.63 C +ATOM 1483 C THR L 72 37.585 -7.062 34.624 1.00 31.41 C +ATOM 1484 O THR L 72 38.189 -6.824 33.573 1.00 27.27 O +ATOM 1485 CB THR L 72 39.007 -8.601 35.992 1.00 30.70 C +ATOM 1486 OG1 THR L 72 39.064 -9.894 36.607 1.00 36.95 O +ATOM 1487 CG2 THR L 72 39.175 -7.536 37.064 1.00 26.15 C +ATOM 1488 N LEU L 73 36.835 -6.168 35.260 1.00 30.51 N +ATOM 1489 CA LEU L 73 36.822 -4.751 34.926 1.00 30.51 C +ATOM 1490 C LEU L 73 37.571 -4.009 36.021 1.00 27.96 C +ATOM 1491 O LEU L 73 37.135 -4.005 37.177 1.00 26.96 O +ATOM 1492 CB LEU L 73 35.395 -4.220 34.804 1.00 30.50 C +ATOM 1493 CG LEU L 73 35.264 -2.701 34.646 1.00 23.86 C +ATOM 1494 CD1 LEU L 73 35.774 -2.261 33.283 1.00 31.84 C +ATOM 1495 CD2 LEU L 73 33.828 -2.261 34.857 1.00 28.93 C +ATOM 1496 N THR L 74 38.686 -3.386 35.661 1.00 26.46 N +ATOM 1497 CA THR L 74 39.530 -2.678 36.613 1.00 32.22 C +ATOM 1498 C THR L 74 39.379 -1.179 36.396 1.00 31.20 C +ATOM 1499 O THR L 74 39.623 -0.678 35.293 1.00 31.08 O +ATOM 1500 CB THR L 74 40.992 -3.098 36.467 1.00 30.92 C +ATOM 1501 OG1 THR L 74 41.122 -4.491 36.778 1.00 41.04 O +ATOM 1502 CG2 THR L 74 41.883 -2.290 37.403 1.00 34.84 C +ATOM 1503 N ILE L 75 38.979 -0.473 37.447 1.00 28.36 N +ATOM 1504 CA ILE L 75 38.926 0.983 37.455 1.00 29.45 C +ATOM 1505 C ILE L 75 40.098 1.458 38.299 1.00 31.47 C +ATOM 1506 O ILE L 75 40.098 1.295 39.526 1.00 32.33 O +ATOM 1507 CB ILE L 75 37.595 1.511 38.008 1.00 30.69 C +ATOM 1508 CG1 ILE L 75 36.419 0.901 37.242 1.00 26.53 C +ATOM 1509 CG2 ILE L 75 37.558 3.040 37.926 1.00 34.60 C +ATOM 1510 CD1 ILE L 75 35.060 1.213 37.843 1.00 36.51 C +ATOM 1511 N SER L 76 41.103 2.031 37.647 1.00 30.20 N +ATOM 1512 CA SER L 76 42.239 2.603 38.350 1.00 40.10 C +ATOM 1513 C SER L 76 42.004 4.092 38.568 1.00 43.26 C +ATOM 1514 O SER L 76 41.349 4.760 37.764 1.00 41.52 O +ATOM 1515 CB SER L 76 43.533 2.379 37.567 1.00 38.71 C +ATOM 1516 OG SER L 76 43.517 3.086 36.340 1.00 48.98 O +ATOM 1517 N ASN L 77 42.535 4.605 39.673 1.00 45.80 N +ATOM 1518 CA ASN L 77 42.353 6.005 40.041 1.00 35.45 C +ATOM 1519 C ASN L 77 40.868 6.369 40.016 1.00 36.06 C +ATOM 1520 O ASN L 77 40.409 7.184 39.215 1.00 41.88 O +ATOM 1521 CB ASN L 77 43.163 6.912 39.112 1.00 41.00 C +ATOM 1522 CG ASN L 77 43.120 8.370 39.530 1.00 52.84 C +ATOM 1523 OD1 ASN L 77 42.944 8.688 40.707 1.00 52.18 O +ATOM 1524 ND2 ASN L 77 43.279 9.267 38.563 1.00 52.92 N +ATOM 1525 N VAL L 78 40.115 5.729 40.914 1.00 29.23 N +ATOM 1526 CA VAL L 78 38.673 5.936 40.971 1.00 25.60 C +ATOM 1527 C VAL L 78 38.379 7.422 41.098 1.00 31.37 C +ATOM 1528 O VAL L 78 39.001 8.131 41.896 1.00 31.69 O +ATOM 1529 CB VAL L 78 38.062 5.134 42.136 1.00 33.99 C +ATOM 1530 CG1 VAL L 78 36.633 5.589 42.429 1.00 32.26 C +ATOM 1531 CG2 VAL L 78 38.074 3.647 41.817 1.00 29.11 C +ATOM 1532 N GLN L 79 37.424 7.895 40.305 1.00 30.84 N +ATOM 1533 CA GLN L 79 36.985 9.280 40.329 1.00 37.33 C +ATOM 1534 C GLN L 79 35.571 9.356 40.889 1.00 34.98 C +ATOM 1535 O GLN L 79 34.808 8.386 40.846 1.00 26.73 O +ATOM 1536 CB GLN L 79 37.033 9.896 38.926 1.00 40.30 C +ATOM 1537 CG GLN L 79 38.418 9.888 38.294 1.00 51.22 C +ATOM 1538 CD GLN L 79 39.413 10.746 39.050 1.00 59.08 C +ATOM 1539 OE1 GLN L 79 40.446 10.260 39.510 1.00 61.79 O +ATOM 1540 NE2 GLN L 79 39.108 12.033 39.177 1.00 65.07 N +ATOM 1541 N SER L 80 35.231 10.529 41.424 1.00 30.80 N +ATOM 1542 CA SER L 80 33.924 10.706 42.048 1.00 37.44 C +ATOM 1543 C SER L 80 32.791 10.356 41.092 1.00 36.69 C +ATOM 1544 O SER L 80 31.744 9.860 41.524 1.00 36.96 O +ATOM 1545 CB SER L 80 33.779 12.144 42.547 1.00 47.79 C +ATOM 1546 OG SER L 80 32.566 12.316 43.259 1.00 64.43 O +ATOM 1547 N GLY L 81 32.980 10.593 39.795 1.00 34.21 N +ATOM 1548 CA GLY L 81 31.956 10.298 38.811 1.00 28.15 C +ATOM 1549 C GLY L 81 31.761 8.829 38.506 1.00 36.60 C +ATOM 1550 O GLY L 81 30.850 8.489 37.745 1.00 37.61 O +ATOM 1551 N ASP L 82 32.586 7.948 39.071 1.00 31.86 N +ATOM 1552 CA ASP L 82 32.470 6.517 38.823 1.00 26.49 C +ATOM 1553 C ASP L 82 31.419 5.846 39.697 1.00 28.97 C +ATOM 1554 O ASP L 82 31.189 4.642 39.544 1.00 26.13 O +ATOM 1555 CB ASP L 82 33.825 5.841 39.033 1.00 27.22 C +ATOM 1556 CG ASP L 82 34.901 6.399 38.119 1.00 37.04 C +ATOM 1557 OD1 ASP L 82 34.550 6.986 37.072 1.00 33.04 O +ATOM 1558 OD2 ASP L 82 36.097 6.250 38.445 1.00 36.38 O +ATOM 1559 N LEU L 83 30.793 6.588 40.611 1.00 36.62 N +ATOM 1560 CA LEU L 83 29.679 6.083 41.403 1.00 39.30 C +ATOM 1561 C LEU L 83 28.589 5.549 40.482 1.00 35.55 C +ATOM 1562 O LEU L 83 27.867 6.332 39.857 1.00 38.03 O +ATOM 1563 CB LEU L 83 29.138 7.200 42.301 1.00 44.57 C +ATOM 1564 CG LEU L 83 28.013 6.885 43.286 1.00 45.70 C +ATOM 1565 CD1 LEU L 83 28.496 5.926 44.346 1.00 47.08 C +ATOM 1566 CD2 LEU L 83 27.498 8.170 43.922 1.00 42.39 C +ATOM 1567 N ALA L 84 28.461 4.228 40.378 1.00 28.13 N +ATOM 1568 CA ALA L 84 27.541 3.646 39.409 1.00 29.52 C +ATOM 1569 C ALA L 84 27.455 2.142 39.626 1.00 31.82 C +ATOM 1570 O ALA L 84 28.177 1.562 40.442 1.00 27.07 O +ATOM 1571 CB ALA L 84 27.987 3.949 37.975 1.00 34.40 C +ATOM 1572 N ASP L 85 26.547 1.521 38.879 1.00 26.07 N +ATOM 1573 CA ASP L 85 26.497 0.075 38.746 1.00 34.14 C +ATOM 1574 C ASP L 85 27.292 -0.353 37.519 1.00 31.39 C +ATOM 1575 O ASP L 85 27.358 0.363 36.516 1.00 24.67 O +ATOM 1576 CB ASP L 85 25.053 -0.416 38.621 1.00 43.34 C +ATOM 1577 CG ASP L 85 24.413 -0.703 39.964 1.00 52.65 C +ATOM 1578 OD1 ASP L 85 24.690 0.038 40.929 1.00 51.41 O +ATOM 1579 OD2 ASP L 85 23.635 -1.676 40.055 1.00 61.21 O +ATOM 1580 N TYR L 86 27.906 -1.530 37.611 1.00 26.29 N +ATOM 1581 CA TYR L 86 28.686 -2.092 36.519 1.00 23.41 C +ATOM 1582 C TYR L 86 28.264 -3.535 36.317 1.00 28.25 C +ATOM 1583 O TYR L 86 28.163 -4.295 37.286 1.00 26.36 O +ATOM 1584 CB TYR L 86 30.187 -2.005 36.808 1.00 28.12 C +ATOM 1585 CG TYR L 86 30.678 -0.587 36.987 1.00 23.18 C +ATOM 1586 CD1 TYR L 86 31.203 0.127 35.917 1.00 22.25 C +ATOM 1587 CD2 TYR L 86 30.603 0.043 38.220 1.00 22.60 C +ATOM 1588 CE1 TYR L 86 31.645 1.427 36.074 1.00 22.65 C +ATOM 1589 CE2 TYR L 86 31.045 1.344 38.386 1.00 19.55 C +ATOM 1590 CZ TYR L 86 31.564 2.030 37.311 1.00 17.91 C +ATOM 1591 OH TYR L 86 32.003 3.325 37.472 1.00 28.86 O +ATOM 1592 N PHE L 87 28.003 -3.907 35.066 1.00 21.67 N +ATOM 1593 CA PHE L 87 27.583 -5.263 34.751 1.00 23.06 C +ATOM 1594 C PHE L 87 28.197 -5.697 33.430 1.00 22.99 C +ATOM 1595 O PHE L 87 28.511 -4.871 32.568 1.00 20.21 O +ATOM 1596 CB PHE L 87 26.052 -5.388 34.696 1.00 22.41 C +ATOM 1597 CG PHE L 87 25.389 -4.442 33.736 1.00 23.75 C +ATOM 1598 CD1 PHE L 87 25.120 -4.831 32.435 1.00 30.57 C +ATOM 1599 CD2 PHE L 87 25.013 -3.172 34.141 1.00 28.16 C +ATOM 1600 CE1 PHE L 87 24.500 -3.967 31.550 1.00 27.51 C +ATOM 1601 CE2 PHE L 87 24.392 -2.303 33.260 1.00 29.36 C +ATOM 1602 CZ PHE L 87 24.136 -2.703 31.963 1.00 31.58 C +ATOM 1603 N CYS L 88 28.370 -7.007 33.288 1.00 20.92 N +ATOM 1604 CA CYS L 88 28.966 -7.601 32.102 1.00 24.54 C +ATOM 1605 C CYS L 88 27.883 -8.140 31.174 1.00 23.51 C +ATOM 1606 O CYS L 88 26.704 -8.225 31.524 1.00 27.63 O +ATOM 1607 CB CYS L 88 29.943 -8.718 32.493 1.00 31.82 C +ATOM 1608 SG CYS L 88 29.327 -9.870 33.754 1.00 30.99 S +ATOM 1609 N GLN L 89 28.306 -8.499 29.967 1.00 24.76 N +ATOM 1610 CA GLN L 89 27.416 -9.067 28.966 1.00 19.03 C +ATOM 1611 C GLN L 89 28.230 -10.014 28.104 1.00 26.25 C +ATOM 1612 O GLN L 89 29.314 -9.648 27.645 1.00 25.50 O +ATOM 1613 CB GLN L 89 26.784 -7.977 28.094 1.00 20.23 C +ATOM 1614 CG GLN L 89 25.844 -8.515 27.023 1.00 23.55 C +ATOM 1615 CD GLN L 89 26.127 -7.929 25.653 1.00 28.77 C +ATOM 1616 OE1 GLN L 89 26.515 -6.770 25.529 1.00 27.32 O +ATOM 1617 NE2 GLN L 89 25.945 -8.737 24.618 1.00 29.20 N +ATOM 1618 N GLN L 90 27.717 -11.222 27.897 1.00 21.38 N +ATOM 1619 CA GLN L 90 28.308 -12.164 26.961 1.00 15.47 C +ATOM 1620 C GLN L 90 27.473 -12.188 25.689 1.00 16.04 C +ATOM 1621 O GLN L 90 26.240 -12.142 25.745 1.00 21.65 O +ATOM 1622 CB GLN L 90 28.393 -13.568 27.568 1.00 19.21 C +ATOM 1623 CG GLN L 90 27.062 -14.310 27.676 1.00 21.73 C +ATOM 1624 CD GLN L 90 26.649 -14.998 26.382 1.00 29.13 C +ATOM 1625 OE1 GLN L 90 27.480 -15.269 25.515 1.00 30.56 O +ATOM 1626 NE2 GLN L 90 25.357 -15.278 26.245 1.00 24.31 N +ATOM 1627 N TYR L 91 28.152 -12.236 24.540 1.00 20.69 N +ATOM 1628 CA TYR L 91 27.484 -12.386 23.252 1.00 24.40 C +ATOM 1629 C TYR L 91 28.117 -13.512 22.443 1.00 23.04 C +ATOM 1630 O TYR L 91 28.136 -13.469 21.210 1.00 27.53 O +ATOM 1631 CB TYR L 91 27.493 -11.073 22.462 1.00 25.30 C +ATOM 1632 CG TYR L 91 28.826 -10.353 22.399 1.00 25.23 C +ATOM 1633 CD1 TYR L 91 29.157 -9.380 23.335 1.00 25.02 C +ATOM 1634 CD2 TYR L 91 29.742 -10.627 21.392 1.00 26.04 C +ATOM 1635 CE1 TYR L 91 30.369 -8.711 23.278 1.00 19.10 C +ATOM 1636 CE2 TYR L 91 30.958 -9.964 21.328 1.00 22.59 C +ATOM 1637 CZ TYR L 91 31.264 -9.007 22.271 1.00 21.86 C +ATOM 1638 OH TYR L 91 32.470 -8.346 22.207 1.00 34.68 O +ATOM 1639 N ASN L 92 28.636 -14.530 23.129 1.00 23.31 N +ATOM 1640 CA ASN L 92 29.125 -15.728 22.463 1.00 32.33 C +ATOM 1641 C ASN L 92 28.006 -16.710 22.142 1.00 30.65 C +ATOM 1642 O ASN L 92 28.152 -17.508 21.211 1.00 27.01 O +ATOM 1643 CB ASN L 92 30.176 -16.421 23.335 1.00 36.05 C +ATOM 1644 CG ASN L 92 30.814 -17.615 22.647 1.00 33.60 C +ATOM 1645 OD1 ASN L 92 30.616 -18.763 23.046 1.00 34.31 O +ATOM 1646 ND2 ASN L 92 31.580 -17.345 21.601 1.00 35.24 N +ATOM 1647 N ASN L 93 26.892 -16.654 22.872 1.00 32.56 N +ATOM 1648 CA ASN L 93 25.822 -17.633 22.740 1.00 31.76 C +ATOM 1649 C ASN L 93 24.467 -16.953 22.855 1.00 25.37 C +ATOM 1650 O ASN L 93 24.308 -15.957 23.566 1.00 29.33 O +ATOM 1651 CB ASN L 93 25.920 -18.726 23.813 1.00 38.19 C +ATOM 1652 CG ASN L 93 26.799 -19.885 23.393 1.00 57.56 C +ATOM 1653 OD1 ASN L 93 28.020 -19.841 23.540 1.00 63.56 O +ATOM 1654 ND2 ASN L 93 26.178 -20.937 22.868 1.00 59.69 N +ATOM 1655 N PHE L 94 23.487 -17.515 22.155 1.00 26.88 N +ATOM 1656 CA PHE L 94 22.099 -17.123 22.342 1.00 23.00 C +ATOM 1657 C PHE L 94 21.476 -17.939 23.480 1.00 28.27 C +ATOM 1658 O PHE L 94 21.728 -19.137 23.597 1.00 31.55 O +ATOM 1659 CB PHE L 94 21.291 -17.318 21.057 1.00 23.68 C +ATOM 1660 CG PHE L 94 21.591 -16.300 19.991 1.00 28.86 C +ATOM 1661 CD1 PHE L 94 21.240 -14.968 20.162 1.00 37.27 C +ATOM 1662 CD2 PHE L 94 22.218 -16.675 18.815 1.00 29.53 C +ATOM 1663 CE1 PHE L 94 21.519 -14.029 19.180 1.00 31.89 C +ATOM 1664 CE2 PHE L 94 22.498 -15.740 17.830 1.00 32.59 C +ATOM 1665 CZ PHE L 94 22.147 -14.419 18.012 1.00 29.22 C +ATOM 1666 N PRO L 95 20.664 -17.295 24.332 1.00 32.88 N +ATOM 1667 CA PRO L 95 20.374 -15.861 24.313 1.00 28.88 C +ATOM 1668 C PRO L 95 21.507 -15.047 24.922 1.00 30.13 C +ATOM 1669 O PRO L 95 22.248 -15.566 25.758 1.00 25.64 O +ATOM 1670 CB PRO L 95 19.113 -15.757 25.162 1.00 28.79 C +ATOM 1671 CG PRO L 95 19.291 -16.831 26.171 1.00 26.83 C +ATOM 1672 CD PRO L 95 19.926 -17.976 25.412 1.00 28.65 C +ATOM 1673 N LEU L 96 21.650 -13.795 24.497 1.00 25.88 N +ATOM 1674 CA LEU L 96 22.538 -12.880 25.198 1.00 27.75 C +ATOM 1675 C LEU L 96 22.137 -12.808 26.665 1.00 29.27 C +ATOM 1676 O LEU L 96 20.951 -12.857 27.004 1.00 22.34 O +ATOM 1677 CB LEU L 96 22.478 -11.489 24.563 1.00 32.89 C +ATOM 1678 CG LEU L 96 23.383 -11.198 23.362 1.00 35.93 C +ATOM 1679 CD1 LEU L 96 23.391 -12.336 22.350 1.00 29.22 C +ATOM 1680 CD2 LEU L 96 22.931 -9.905 22.701 1.00 34.35 C +ATOM 1681 N THR L 97 23.132 -12.702 27.543 1.00 22.46 N +ATOM 1682 CA THR L 97 22.877 -12.674 28.975 1.00 27.83 C +ATOM 1683 C THR L 97 23.796 -11.663 29.641 1.00 24.67 C +ATOM 1684 O THR L 97 24.912 -11.409 29.180 1.00 19.62 O +ATOM 1685 CB THR L 97 23.071 -14.056 29.621 1.00 19.24 C +ATOM 1686 OG1 THR L 97 24.381 -14.548 29.321 1.00 19.46 O +ATOM 1687 CG2 THR L 97 22.027 -15.037 29.110 1.00 22.31 C +ATOM 1688 N PHE L 98 23.307 -11.094 30.738 1.00 18.37 N +ATOM 1689 CA PHE L 98 24.014 -10.068 31.484 1.00 26.42 C +ATOM 1690 C PHE L 98 24.289 -10.554 32.899 1.00 25.63 C +ATOM 1691 O PHE L 98 23.570 -11.403 33.434 1.00 26.05 O +ATOM 1692 CB PHE L 98 23.200 -8.769 31.561 1.00 26.07 C +ATOM 1693 CG PHE L 98 22.827 -8.198 30.225 1.00 26.35 C +ATOM 1694 CD1 PHE L 98 23.598 -7.207 29.641 1.00 27.03 C +ATOM 1695 CD2 PHE L 98 21.694 -8.636 29.562 1.00 26.38 C +ATOM 1696 CE1 PHE L 98 23.249 -6.669 28.418 1.00 28.52 C +ATOM 1697 CE2 PHE L 98 21.341 -8.104 28.336 1.00 25.81 C +ATOM 1698 CZ PHE L 98 22.121 -7.122 27.763 1.00 28.94 C +ATOM 1699 N GLY L 99 25.342 -10.007 33.498 1.00 23.90 N +ATOM 1700 CA GLY L 99 25.522 -10.144 34.925 1.00 25.07 C +ATOM 1701 C GLY L 99 24.535 -9.285 35.691 1.00 23.61 C +ATOM 1702 O GLY L 99 23.958 -8.331 35.169 1.00 27.53 O +ATOM 1703 N ALA L 100 24.334 -9.638 36.960 1.00 25.80 N +ATOM 1704 CA ALA L 100 23.345 -8.952 37.781 1.00 24.31 C +ATOM 1705 C ALA L 100 23.812 -7.584 38.260 1.00 30.53 C +ATOM 1706 O ALA L 100 23.010 -6.845 38.842 1.00 30.53 O +ATOM 1707 CB ALA L 100 22.973 -9.818 38.987 1.00 29.89 C +ATOM 1708 N GLY L 101 25.068 -7.233 38.042 1.00 35.84 N +ATOM 1709 CA GLY L 101 25.541 -5.901 38.352 1.00 36.58 C +ATOM 1710 C GLY L 101 26.225 -5.821 39.703 1.00 35.39 C +ATOM 1711 O GLY L 101 25.872 -6.523 40.659 1.00 36.85 O +ATOM 1712 N THR L 102 27.230 -4.954 39.782 1.00 28.18 N +ATOM 1713 CA THR L 102 27.919 -4.634 41.024 1.00 30.12 C +ATOM 1714 C THR L 102 27.804 -3.136 41.260 1.00 29.29 C +ATOM 1715 O THR L 102 28.051 -2.341 40.347 1.00 28.88 O +ATOM 1716 CB THR L 102 29.395 -5.044 40.973 1.00 33.80 C +ATOM 1717 OG1 THR L 102 29.499 -6.451 40.723 1.00 37.29 O +ATOM 1718 CG2 THR L 102 30.099 -4.707 42.289 1.00 34.99 C +ATOM 1719 N LYS L 103 27.430 -2.754 42.476 1.00 29.80 N +ATOM 1720 CA LYS L 103 27.286 -1.348 42.828 1.00 31.78 C +ATOM 1721 C LYS L 103 28.588 -0.850 43.440 1.00 26.82 C +ATOM 1722 O LYS L 103 29.058 -1.395 44.443 1.00 26.12 O +ATOM 1723 CB LYS L 103 26.124 -1.147 43.800 1.00 39.52 C +ATOM 1724 CG LYS L 103 25.824 0.320 44.098 1.00 48.94 C +ATOM 1725 CD LYS L 103 24.671 0.483 45.079 1.00 57.79 C +ATOM 1726 CE LYS L 103 23.351 -0.029 44.511 1.00 61.94 C +ATOM 1727 NZ LYS L 103 22.976 0.668 43.248 1.00 66.20 N +ATOM 1728 N LEU L 104 29.170 0.178 42.830 1.00 29.12 N +ATOM 1729 CA LEU L 104 30.352 0.833 43.373 1.00 27.74 C +ATOM 1730 C LEU L 104 29.903 2.017 44.218 1.00 27.25 C +ATOM 1731 O LEU L 104 29.175 2.887 43.732 1.00 31.84 O +ATOM 1732 CB LEU L 104 31.285 1.295 42.256 1.00 23.71 C +ATOM 1733 CG LEU L 104 32.515 2.089 42.705 1.00 34.46 C +ATOM 1734 CD1 LEU L 104 33.380 1.263 43.645 1.00 38.78 C +ATOM 1735 CD2 LEU L 104 33.324 2.557 41.505 1.00 39.79 C +ATOM 1736 N GLU L 105 30.326 2.041 45.478 1.00 32.68 N +ATOM 1737 CA GLU L 105 30.012 3.125 46.397 1.00 43.38 C +ATOM 1738 C GLU L 105 31.307 3.743 46.902 1.00 35.25 C +ATOM 1739 O GLU L 105 32.264 3.032 47.220 1.00 35.48 O +ATOM 1740 CB GLU L 105 29.148 2.632 47.569 1.00 53.51 C +ATOM 1741 CG GLU L 105 29.596 1.314 48.197 1.00 73.13 C +ATOM 1742 CD GLU L 105 28.484 0.628 48.974 1.00 86.76 C +ATOM 1743 OE1 GLU L 105 27.310 1.028 48.820 1.00 88.30 O +ATOM 1744 OE2 GLU L 105 28.786 -0.316 49.735 1.00 91.38 O +ATOM 1745 N ILE L 106 31.337 5.069 46.955 1.00 33.24 N +ATOM 1746 CA ILE L 106 32.558 5.793 47.292 1.00 39.61 C +ATOM 1747 C ILE L 106 32.717 5.841 48.804 1.00 29.94 C +ATOM 1748 O ILE L 106 31.740 6.003 49.544 1.00 32.61 O +ATOM 1749 CB ILE L 106 32.529 7.208 46.685 1.00 56.58 C +ATOM 1750 CG1 ILE L 106 32.517 7.126 45.157 1.00 60.64 C +ATOM 1751 CG2 ILE L 106 33.736 8.020 47.148 1.00 71.09 C +ATOM 1752 CD1 ILE L 106 32.246 8.450 44.469 1.00 64.17 C +ATOM 1753 N LYS L 107 33.956 5.696 49.269 1.00 33.99 N +ATOM 1754 CA LYS L 107 34.247 5.819 50.688 1.00 38.90 C +ATOM 1755 C LYS L 107 34.337 7.290 51.082 1.00 39.02 C +ATOM 1756 O LYS L 107 34.555 8.176 50.251 1.00 33.21 O +ATOM 1757 CB LYS L 107 35.541 5.090 51.046 1.00 40.72 C +ATOM 1758 CG LYS L 107 35.376 3.579 51.144 1.00 46.13 C +ATOM 1759 CD LYS L 107 36.614 2.904 51.721 1.00 54.30 C +ATOM 1760 CE LYS L 107 37.645 2.586 50.650 1.00 63.50 C +ATOM 1761 NZ LYS L 107 38.994 3.109 50.996 1.00 70.55 N +TER 1762 LYS L 107 +END diff --git a/test/PDB/BondsRestoring/1vfb_ab_b.mae b/test/PDB/BondsRestoring/1vfb_ab_b.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/1vfb_ab_b.mae @@ -0,0 +1,6901 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 3.0 + /data/user/asadovnikov/git/abase/data/1vfb_B+A|C/prepared_schrod/1vfb_ab_b.pdb + 1 + 2 + m_atom[3400] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + r_m_pdb_tfactor + i_pdb_PDB_serial + i_pdb_seqres_index + ::: + 1 32 23.963000 -0.947000 -1.031000 1 D A 2 "ASP " " N " 7 1 0 1 37.52 1 1 + 2 3 25.119000 -0.797000 -1.881000 1 D A 2 "ASP " " CA " 6 0 0 1 32.56 2 1 + 3 2 25.715000 0.493000 -1.356000 1 D A 2 "ASP " " C " 6 0 0 1 29.72 3 1 + 4 15 24.964000 1.396000 -0.971000 1 D A 2 "ASP " " O " 8 0 0 1 28.87 4 1 + 5 3 24.721000 -0.606000 -3.341000 1 D A 2 "ASP " " CB " 6 0 0 1 34.71 5 1 + 6 2 24.061000 -1.777000 -4.067000 1 D A 2 "ASP " " CG " 6 0 0 1 35.11 6 1 + 7 15 23.841000 -2.849000 -3.496000 1 D A 2 "ASP " " OD1" 8 0 0 1 35.99 7 1 + 8 18 23.798000 -1.612000 -5.255000 1 D A 2 "ASP " " OD2" 8 -1 0 1 38.08 8 1 + 9 44 23.466000 -1.789000 -1.283000 1 D A 2 "ASP " " H1 " 1 0 0 1 37.52 9 1 + 10 44 24.259000 -1.007000 -0.067000 1 D A 2 "ASP " " H2 " 1 0 0 1 37.52 10 1 + 11 44 23.354000 -0.150000 -1.147000 1 D A 2 "ASP " " H3 " 1 0 0 1 37.52 11 1 + 12 41 25.810000 -1.631000 -1.763000 1 D A 2 "ASP " " HA " 1 0 0 1 32.56 12 1 + 13 41 25.592000 -0.280000 -3.909000 1 D A 2 "ASP " " HB3" 1 0 0 1 34.71 13 1 + 14 41 24.081000 0.272000 -3.424000 1 D A 2 "ASP " " HB2" 1 0 0 1 34.71 14 1 + 15 25 27.025000 0.577000 -1.277000 2 I A 2 "ILE " " N " 7 0 0 1 26.56 15 2 + 16 3 27.669000 1.808000 -0.873000 2 I A 2 "ILE " " CA " 6 0 0 1 25.29 16 2 + 17 2 27.740000 2.665000 -2.147000 2 I A 2 "ILE " " C " 6 0 0 1 26.5 17 2 + 18 15 28.123000 2.164000 -3.216000 2 I A 2 "ILE " " O " 8 0 0 1 26.25 18 2 + 19 3 29.055000 1.427000 -0.269000 2 I A 2 "ILE " " CB " 6 0 0 1 23.37 19 2 + 20 3 28.773000 0.662000 1.033000 2 I A 2 "ILE " " CG1" 6 0 0 1 21.2 20 2 + 21 3 29.938000 2.651000 -0.002000 2 I A 2 "ILE " " CG2" 6 0 0 1 21.27 21 2 + 22 3 29.941000 -0.070000 1.710000 2 I A 2 "ILE " " CD1" 6 0 0 1 19.49 22 2 + 23 43 27.597000 -0.225000 -1.500000 2 I A 2 "ILE " " H " 1 0 0 1 26.56 23 2 + 24 41 27.063000 2.313000 -0.120000 2 I A 2 "ILE " " HA " 1 0 0 1 25.29 24 2 + 25 41 29.572000 0.764000 -0.963000 2 I A 2 "ILE " " HB " 1 0 0 1 23.37 25 2 + 26 41 27.960000 -0.044000 0.863000 2 I A 2 "ILE " "HG13" 1 0 0 1 21.2 26 2 + 27 41 28.311000 1.339000 1.752000 2 I A 2 "ILE " "HG12" 1 0 0 1 21.2 27 2 + 28 41 30.891000 2.328000 0.418000 2 I A 2 "ILE " "HG21" 1 0 0 1 21.27 28 2 + 29 41 30.115000 3.183000 -0.937000 2 I A 2 "ILE " "HG22" 1 0 0 1 21.27 29 2 + 30 41 29.437000 3.314000 0.703000 2 I A 2 "ILE " "HG23" 1 0 0 1 21.27 30 2 + 31 41 29.586000 -0.562000 2.616000 2 I A 2 "ILE " "HD11" 1 0 0 1 19.49 31 2 + 32 41 30.347000 -0.816000 1.027000 2 I A 2 "ILE " "HD12" 1 0 0 1 19.49 32 2 + 33 41 30.720000 0.648000 1.968000 2 I A 2 "ILE " "HD13" 1 0 0 1 19.49 33 2 + 34 25 27.341000 3.933000 -2.058000 3 V A 2 "VAL " " N " 7 0 0 1 20.87 34 3 + 35 3 27.378000 4.863000 -3.168000 3 V A 2 "VAL " " CA " 6 0 0 1 18.69 35 3 + 36 2 28.520000 5.860000 -2.883000 3 V A 2 "VAL " " C " 6 0 0 1 16.41 36 3 + 37 15 28.799000 6.162000 -1.711000 3 V A 2 "VAL " " O " 8 0 0 1 14.99 37 3 + 38 3 25.960000 5.497000 -3.219000 3 V A 2 "VAL " " CB " 6 0 0 1 18.56 38 3 + 39 3 25.958000 6.840000 -3.959000 3 V A 2 "VAL " " CG1" 6 0 0 1 21.26 39 3 + 40 3 25.033000 4.512000 -3.911000 3 V A 2 "VAL " " CG2" 6 0 0 1 17.43 40 3 + 41 43 26.989000 4.291000 -1.182000 3 V A 2 "VAL " " H " 1 0 0 1 20.87 41 3 + 42 41 27.578000 4.326000 -4.095000 3 V A 2 "VAL " " HA " 1 0 0 1 18.69 42 3 + 43 41 25.608000 5.656000 -2.200000 3 V A 2 "VAL " " HB " 1 0 0 1 18.56 43 3 + 44 41 24.947000 7.247000 -3.971000 3 V A 2 "VAL " "HG11" 1 0 0 1 21.26 44 3 + 45 41 26.624000 7.537000 -3.450000 3 V A 2 "VAL " "HG12" 1 0 0 1 21.26 45 3 + 46 41 26.301000 6.692000 -4.983000 3 V A 2 "VAL " "HG13" 1 0 0 1 21.26 46 3 + 47 41 24.028000 4.932000 -3.961000 3 V A 2 "VAL " "HG21" 1 0 0 1 17.43 47 3 + 48 41 25.396000 4.318000 -4.920000 3 V A 2 "VAL " "HG22" 1 0 0 1 17.43 48 3 + 49 41 25.009000 3.579000 -3.349000 3 V A 2 "VAL " "HG23" 1 0 0 1 17.43 49 3 + 50 25 29.210000 6.380000 -3.898000 4 L A 2 "LEU " " N " 7 0 2 1 14.55 50 4 + 51 3 30.272000 7.355000 -3.716000 4 L A 2 "LEU " " CA " 6 0 2 1 14.24 51 4 + 52 2 29.846000 8.662000 -4.347000 4 L A 2 "LEU " " C " 6 0 2 1 12.62 52 4 + 53 15 29.410000 8.703000 -5.500000 4 L A 2 "LEU " " O " 8 0 2 1 15.43 53 4 + 54 3 31.579000 6.852000 -4.367000 4 L A 2 "LEU " " CB " 6 0 2 1 15.24 54 4 + 55 3 32.169000 5.537000 -3.756000 4 L A 2 "LEU " " CG " 6 0 2 1 18.25 55 4 + 56 3 33.058000 4.825000 -4.763000 4 L A 2 "LEU " " CD1" 6 0 2 1 19.25 56 4 + 57 3 32.972000 5.867000 -2.513000 4 L A 2 "LEU " " CD2" 6 0 2 1 19.25 57 4 + 58 43 29.003000 6.099000 -4.846000 4 L A 2 "LEU " " H " 1 0 2 1 14.55 58 4 + 59 41 30.439000 7.509000 -2.650000 4 L A 2 "LEU " " HA " 1 0 2 1 14.24 59 4 + 60 41 32.331000 7.640000 -4.321000 4 L A 2 "LEU " " HB3" 1 0 2 1 15.24 60 4 + 61 41 31.418000 6.712000 -5.436000 4 L A 2 "LEU " " HB2" 1 0 2 1 15.24 61 4 + 62 41 31.347000 4.876000 -3.481000 4 L A 2 "LEU " " HG " 1 0 2 1 18.25 62 4 + 63 41 33.457000 3.914000 -4.316000 4 L A 2 "LEU " "HD11" 1 0 2 1 19.25 63 4 + 64 41 32.474000 4.570000 -5.647000 4 L A 2 "LEU " "HD12" 1 0 2 1 19.25 64 4 + 65 41 33.881000 5.480000 -5.048000 4 L A 2 "LEU " "HD13" 1 0 2 1 19.25 65 4 + 66 41 33.381000 4.950000 -2.090000 4 L A 2 "LEU " "HD21" 1 0 2 1 19.25 66 4 + 67 41 33.787000 6.541000 -2.775000 4 L A 2 "LEU " "HD22" 1 0 2 1 19.25 67 4 + 68 41 32.325000 6.348000 -1.779000 4 L A 2 "LEU " "HD23" 1 0 2 1 19.25 68 4 + 69 25 29.953000 9.725000 -3.552000 5 T A 2 "THR " " N " 7 0 2 1 12.99 69 5 + 70 3 29.605000 11.071000 -3.975000 5 T A 2 "THR " " CA " 6 0 2 1 15.3 70 5 + 71 2 30.933000 11.764000 -4.252000 5 T A 2 "THR " " C " 6 0 2 1 14.54 71 5 + 72 15 31.714000 11.989000 -3.322000 5 T A 2 "THR " " O " 8 0 2 1 14.9 72 5 + 73 3 28.828000 11.779000 -2.835000 5 T A 2 "THR " " CB " 6 0 2 1 16.3 73 5 + 74 16 27.680000 10.993000 -2.516000 5 T A 2 "THR " " OG1" 8 0 2 1 16.67 74 5 + 75 3 28.408000 13.164000 -3.244000 5 T A 2 "THR " " CG2" 6 0 2 1 16.13 75 5 + 76 43 30.290000 9.616000 -2.606000 5 T A 2 "THR " " H " 1 0 2 1 12.99 76 5 + 77 41 29.000000 11.038000 -4.881000 5 T A 2 "THR " " HA " 1 0 2 1 15.3 77 5 + 78 41 29.469000 11.846000 -1.956000 5 T A 2 "THR " " HB " 1 0 2 1 16.3 78 5 + 79 42 27.959000 10.120000 -2.230000 5 T A 2 "THR " " HG1" 1 0 2 1 16.67 79 5 + 80 41 27.865000 13.636000 -2.425000 5 T A 2 "THR " "HG21" 1 0 2 1 16.13 80 5 + 81 41 29.291000 13.756000 -3.483000 5 T A 2 "THR " "HG22" 1 0 2 1 16.13 81 5 + 82 41 27.763000 13.105000 -4.120000 5 T A 2 "THR " "HG23" 1 0 2 1 16.13 82 5 + 83 25 31.225000 12.091000 -5.497000 6 Q A 2 "GLN " " N " 7 0 2 1 16.22 83 6 + 84 3 32.498000 12.711000 -5.868000 6 Q A 2 "GLN " " CA " 6 0 2 1 16.33 84 6 + 85 2 32.288000 14.199000 -6.157000 6 Q A 2 "GLN " " C " 6 0 2 1 14.81 85 6 + 86 15 31.236000 14.557000 -6.693000 6 Q A 2 "GLN " " O " 8 0 2 1 14.49 86 6 + 87 3 33.044000 11.990000 -7.098000 6 Q A 2 "GLN " " CB " 6 0 2 1 16.49 87 6 + 88 3 34.397000 12.505000 -7.590000 6 Q A 2 "GLN " " CG " 6 0 2 1 14.45 88 6 + 89 2 35.066000 11.533000 -8.550000 6 Q A 2 "GLN " " CD " 6 0 2 1 17.01 89 6 + 90 15 34.644000 10.389000 -8.771000 6 Q A 2 "GLN " " OE1" 8 0 2 1 16.39 90 6 + 91 25 36.113000 11.962000 -9.231000 6 Q A 2 "GLN " " NE2" 7 0 2 1 15.83 91 6 + 92 43 30.558000 11.915000 -6.235000 6 Q A 2 "GLN " " H " 1 0 2 1 16.22 92 6 + 93 41 33.204000 12.601000 -5.045000 6 Q A 2 "GLN " " HA " 1 0 2 1 16.33 93 6 + 94 41 32.317000 12.056000 -7.907000 6 Q A 2 "GLN " " HB3" 1 0 2 1 16.49 94 6 + 95 41 33.119000 10.923000 -6.887000 6 Q A 2 "GLN " " HB2" 1 0 2 1 16.49 95 6 + 96 41 35.051000 12.679000 -6.736000 6 Q A 2 "GLN " " HG3" 1 0 2 1 14.45 96 6 + 97 41 34.261000 13.467000 -8.084000 6 Q A 2 "GLN " " HG2" 1 0 2 1 14.45 97 6 + 98 43 36.583000 11.344000 -9.878000 6 Q A 2 "GLN " "HE22" 1 0 2 1 15.83 98 6 + 99 43 36.444000 12.908000 -9.105000 6 Q A 2 "GLN " "HE21" 1 0 2 1 15.83 99 6 + 100 25 33.183000 15.091000 -5.742000 7 S A 2 "SER " " N " 7 0 2 1 12.75 100 7 + 101 3 33.011000 16.468000 -6.111000 7 S A 2 "SER " " CA " 6 0 2 1 14.66 101 7 + 102 2 34.401000 17.073000 -6.190000 7 S A 2 "SER " " C " 6 0 2 1 14.22 102 7 + 103 15 35.353000 16.548000 -5.584000 7 S A 2 "SER " " O " 8 0 2 1 14.37 103 7 + 104 3 32.113000 17.247000 -5.084000 7 S A 2 "SER " " CB " 6 0 2 1 15.65 104 7 + 105 16 32.589000 17.220000 -3.760000 7 S A 2 "SER " " OG " 8 0 2 1 20.92 105 7 + 106 43 33.967000 14.795000 -5.178000 7 S A 2 "SER " " H " 1 0 2 1 12.75 106 7 + 107 41 32.547000 16.516000 -7.096000 7 S A 2 "SER " " HA " 1 0 2 1 14.66 107 7 + 108 41 31.100000 16.845000 -5.112000 7 S A 2 "SER " " HB3" 1 0 2 1 15.65 108 7 + 109 41 32.008000 18.282000 -5.409000 7 S A 2 "SER " " HB2" 1 0 2 1 15.65 109 7 + 110 42 33.463000 17.616000 -3.725000 7 S A 2 "SER " " HG " 1 0 2 1 20.92 110 7 + 111 25 34.608000 18.160000 -6.953000 8 P A 2 "PRO " " N " 7 0 0 1 16.38 111 8 + 112 3 33.586000 18.802000 -7.772000 8 P A 2 "PRO " " CA " 6 0 0 1 16.34 112 8 + 113 2 33.333000 18.052000 -9.077000 8 P A 2 "PRO " " C " 6 0 0 1 18.22 113 8 + 114 15 34.063000 17.103000 -9.384000 8 P A 2 "PRO " " O " 8 0 0 1 18.27 114 8 + 115 3 34.132000 20.209000 -7.934000 8 P A 2 "PRO " " CB " 6 0 0 1 14.63 115 8 + 116 3 35.617000 19.947000 -8.056000 8 P A 2 "PRO " " CG " 6 0 0 1 15.28 116 8 + 117 3 35.895000 18.853000 -7.046000 8 P A 2 "PRO " " CD " 6 0 0 1 15.29 117 8 + 118 41 32.656000 18.847000 -7.205000 8 P A 2 "PRO " " HA " 1 0 0 1 16.34 118 8 + 119 41 33.942000 20.774000 -7.021000 8 P A 2 "PRO " " HB3" 1 0 0 1 14.63 119 8 + 120 41 33.765000 20.630000 -8.870000 8 P A 2 "PRO " " HB2" 1 0 0 1 14.63 120 8 + 121 41 36.166000 20.846000 -7.775000 8 P A 2 "PRO " " HG3" 1 0 0 1 15.28 121 8 + 122 41 35.837000 19.578000 -9.058000 8 P A 2 "PRO " " HG2" 1 0 0 1 15.28 122 8 + 123 41 36.642000 18.171000 -7.452000 8 P A 2 "PRO " " HD2" 1 0 0 1 15.29 123 8 + 124 41 36.130000 19.305000 -6.082000 8 P A 2 "PRO " " HD3" 1 0 0 1 15.29 124 8 + 125 25 32.295000 18.437000 -9.822000 9 A A 2 "ALA " " N " 7 0 0 1 15.8 125 9 + 126 3 32.069000 17.859000 -11.133000 9 A A 2 "ALA " " CA " 6 0 0 1 17.01 126 9 + 127 2 33.140000 18.305000 -12.144000 9 A A 2 "ALA " " C " 6 0 0 1 18.11 127 9 + 128 15 33.539000 17.504000 -12.988000 9 A A 2 "ALA " " O " 8 0 0 1 17.83 128 9 + 129 3 30.680000 18.268000 -11.642000 9 A A 2 "ALA " " CB " 6 0 0 1 17.37 129 9 + 130 43 31.656000 19.138000 -9.474000 9 A A 2 "ALA " " H " 1 0 0 1 15.8 130 9 + 131 41 32.103000 16.773000 -11.046000 9 A A 2 "ALA " " HA " 1 0 0 1 17.01 131 9 + 132 41 30.511000 17.833000 -12.627000 9 A A 2 "ALA " " HB1" 1 0 0 1 17.37 132 9 + 133 41 29.918000 17.907000 -10.951000 9 A A 2 "ALA " " HB2" 1 0 0 1 17.37 133 9 + 134 41 30.623000 19.354000 -11.710000 9 A A 2 "ALA " " HB3" 1 0 0 1 17.37 134 9 + 135 25 33.619000 19.543000 -12.096000 10 S A 2 "SER " " N " 7 0 2 1 17.07 135 10 + 136 3 34.670000 20.102000 -12.958000 10 S A 2 "SER " " CA " 6 0 2 1 22.59 136 10 + 137 2 35.495000 21.048000 -12.106000 10 S A 2 "SER " " C " 6 0 2 1 22.44 137 10 + 138 15 34.988000 21.583000 -11.105000 10 S A 2 "SER " " O " 8 0 2 1 22.2 138 10 + 139 3 34.137000 20.950000 -14.082000 10 S A 2 "SER " " CB " 6 0 2 1 23.3 139 10 + 140 16 33.377000 20.134000 -14.946000 10 S A 2 "SER " " OG " 8 0 2 1 34.48 140 10 + 141 43 33.257000 20.199000 -11.419000 10 S A 2 "SER " " H " 1 0 2 1 17.07 141 10 + 142 41 35.299000 19.304000 -13.353000 10 S A 2 "SER " " HA " 1 0 2 1 22.59 142 10 + 143 41 34.970000 21.386000 -14.634000 10 S A 2 "SER " " HB3" 1 0 2 1 23.3 143 10 + 144 41 33.502000 21.737000 -13.674000 10 S A 2 "SER " " HB2" 1 0 2 1 23.3 144 10 + 145 42 33.934000 19.437000 -15.301000 10 S A 2 "SER " " HG " 1 0 2 1 34.48 145 10 + 146 25 36.746000 21.228000 -12.496000 11 L A 2 "LEU " " N " 7 0 2 1 21.59 146 11 + 147 3 37.717000 22.117000 -11.863000 11 L A 2 "LEU " " CA " 6 0 2 1 25.02 147 11 + 148 2 38.424000 22.801000 -13.026000 11 L A 2 "LEU " " C " 6 0 2 1 26.13 148 11 + 149 15 38.809000 22.081000 -13.962000 11 L A 2 "LEU " " O " 8 0 2 1 25.07 149 11 + 150 3 38.836000 21.392000 -11.122000 11 L A 2 "LEU " " CB " 6 0 2 1 26.03 150 11 + 151 3 38.795000 20.914000 -9.704000 11 L A 2 "LEU " " CG " 6 0 2 1 29.76 151 11 + 152 3 39.564000 19.619000 -9.589000 11 L A 2 "LEU " " CD1" 6 0 2 1 30.81 152 11 + 153 3 39.381000 21.988000 -8.795000 11 L A 2 "LEU " " CD2" 6 0 2 1 32.46 153 11 + 154 43 37.102000 20.727000 -13.297000 11 L A 2 "LEU " " H " 1 0 2 1 21.59 154 11 + 155 41 37.224000 22.845000 -11.218000 11 L A 2 "LEU " " HA " 1 0 2 1 25.02 155 11 + 156 41 39.758000 21.955000 -11.264000 11 L A 2 "LEU " " HB3" 1 0 2 1 26.03 156 11 + 157 41 39.181000 20.569000 -11.748000 11 L A 2 "LEU " " HB2" 1 0 2 1 26.03 157 11 + 158 41 37.758000 20.737000 -9.420000 11 L A 2 "LEU " " HG " 1 0 2 1 29.76 158 11 + 159 41 39.535000 19.269000 -8.557000 11 L A 2 "LEU " "HD11" 1 0 2 1 30.81 159 11 + 160 41 39.113000 18.869000 -10.239000 11 L A 2 "LEU " "HD12" 1 0 2 1 30.81 160 11 + 161 41 40.599000 19.783000 -9.888000 11 L A 2 "LEU " "HD13" 1 0 2 1 30.81 161 11 + 162 41 39.353000 21.644000 -7.761000 11 L A 2 "LEU " "HD21" 1 0 2 1 32.46 162 11 + 163 41 40.413000 22.186000 -9.084000 11 L A 2 "LEU " "HD22" 1 0 2 1 32.46 163 11 + 164 41 38.796000 22.903000 -8.889000 11 L A 2 "LEU " "HD23" 1 0 2 1 32.46 164 11 + 165 25 38.614000 24.122000 -13.031000 12 S A 2 "SER " " N " 7 0 2 1 25.29 165 12 + 166 3 39.432000 24.769000 -14.057000 12 S A 2 "SER " " CA " 6 0 2 1 27.68 166 12 + 167 2 40.728000 25.100000 -13.343000 12 S A 2 "SER " " C " 6 0 2 1 26.51 167 12 + 168 15 40.686000 25.642000 -12.230000 12 S A 2 "SER " " O " 8 0 2 1 28.64 168 12 + 169 3 38.805000 26.061000 -14.563000 12 S A 2 "SER " " CB " 6 0 2 1 29.48 169 12 + 170 16 37.558000 25.807000 -15.194000 12 S A 2 "SER " " OG " 8 0 2 1 37.49 170 12 + 171 43 38.189000 24.696000 -12.317000 12 S A 2 "SER " " H " 1 0 2 1 25.29 171 12 + 172 41 39.617000 24.085000 -14.885000 12 S A 2 "SER " " HA " 1 0 2 1 27.68 172 12 + 173 41 39.480000 26.538000 -15.273000 12 S A 2 "SER " " HB3" 1 0 2 1 29.48 173 12 + 174 41 38.656000 26.744000 -13.727000 12 S A 2 "SER " " HB2" 1 0 2 1 29.48 174 12 + 175 42 36.958000 25.399000 -14.565000 12 S A 2 "SER " " HG " 1 0 2 1 37.49 175 12 + 176 25 41.886000 24.788000 -13.909000 13 A A 2 "ALA " " N " 7 0 0 1 23.99 176 13 + 177 3 43.145000 25.018000 -13.235000 13 A A 2 "ALA " " CA " 6 0 0 1 24.32 177 13 + 178 2 44.257000 25.319000 -14.240000 13 A A 2 "ALA " " C " 6 0 0 1 25.54 178 13 + 179 15 44.225000 24.910000 -15.406000 13 A A 2 "ALA " " O " 8 0 0 1 24.72 179 13 + 180 3 43.561000 23.793000 -12.444000 13 A A 2 "ALA " " CB " 6 0 0 1 24.39 180 13 + 181 43 41.903000 24.379000 -14.833000 13 A A 2 "ALA " " H " 1 0 0 1 23.99 181 13 + 182 41 43.038000 25.864000 -12.556000 13 A A 2 "ALA " " HA " 1 0 0 1 24.32 182 13 + 183 41 44.510000 23.987000 -11.945000 13 A A 2 "ALA " " HB1" 1 0 0 1 24.39 183 13 + 184 41 42.799000 23.565000 -11.699000 13 A A 2 "ALA " " HB2" 1 0 0 1 24.39 184 13 + 185 41 43.673000 22.945000 -13.119000 13 A A 2 "ALA " " HB3" 1 0 0 1 24.39 185 13 + 186 25 45.248000 26.045000 -13.757000 14 S A 2 "SER " " N " 7 0 0 1 24.7 186 14 + 187 3 46.421000 26.350000 -14.529000 14 S A 2 "SER " " CA " 6 0 0 1 27.29 187 14 + 188 2 47.490000 25.349000 -14.125000 14 S A 2 "SER " " C " 6 0 0 1 24.4 188 14 + 189 15 47.445000 24.778000 -13.033000 14 S A 2 "SER " " O " 8 0 0 1 23.58 189 14 + 190 3 46.945000 27.761000 -14.217000 14 S A 2 "SER " " CB " 6 0 0 1 27.65 190 14 + 191 16 45.939000 28.736000 -14.421000 14 S A 2 "SER " " OG " 8 0 0 1 34.68 191 14 + 192 43 45.197000 26.406000 -12.815000 14 S A 2 "SER " " H " 1 0 0 1 24.7 192 14 + 193 41 46.204000 26.258000 -15.593000 14 S A 2 "SER " " HA " 1 0 0 1 27.29 193 14 + 194 41 47.799000 27.981000 -14.858000 14 S A 2 "SER " " HB3" 1 0 0 1 27.65 194 14 + 195 41 47.285000 27.801000 -13.182000 14 S A 2 "SER " " HB2" 1 0 0 1 27.65 195 14 + 196 42 45.650000 28.712000 -15.336000 14 S A 2 "SER " " HG " 1 0 0 1 34.68 196 14 + 197 25 48.473000 25.153000 -15.007000 15 V A 2 "VAL " " N " 7 0 0 1 24.33 197 15 + 198 3 49.668000 24.381000 -14.722000 15 V A 2 "VAL " " CA " 6 0 0 1 21.98 198 15 + 199 2 50.369000 25.048000 -13.549000 15 V A 2 "VAL " " C " 6 0 0 1 21.33 199 15 + 200 15 50.507000 26.277000 -13.425000 15 V A 2 "VAL " " O " 8 0 0 1 20.92 200 15 + 201 3 50.593000 24.342000 -15.986000 15 V A 2 "VAL " " CB " 6 0 0 1 23.23 201 15 + 202 3 51.955000 23.715000 -15.678000 15 V A 2 "VAL " " CG1" 6 0 0 1 20.34 202 15 + 203 3 49.890000 23.513000 -17.069000 15 V A 2 "VAL " " CG2" 6 0 0 1 23.33 203 15 + 204 43 48.408000 25.553000 -15.932000 15 V A 2 "VAL " " H " 1 0 0 1 24.33 204 15 + 205 41 49.387000 23.365000 -14.447000 15 V A 2 "VAL " " HA " 1 0 0 1 21.98 205 15 + 206 41 50.741000 25.358000 -16.353000 15 V A 2 "VAL " " HB " 1 0 0 1 23.23 206 15 + 207 41 52.565000 23.708000 -16.581000 15 V A 2 "VAL " "HG11" 1 0 0 1 20.34 207 15 + 208 41 52.457000 24.298000 -14.906000 15 V A 2 "VAL " "HG12" 1 0 0 1 20.34 208 15 + 209 41 51.814000 22.693000 -15.327000 15 V A 2 "VAL " "HG13" 1 0 0 1 20.34 209 15 + 210 41 50.517000 23.472000 -17.960000 15 V A 2 "VAL " "HG21" 1 0 0 1 23.33 210 15 + 211 41 49.718000 22.502000 -16.699000 15 V A 2 "VAL " "HG22" 1 0 0 1 23.33 211 15 + 212 41 48.935000 23.975000 -17.318000 15 V A 2 "VAL " "HG23" 1 0 0 1 23.33 212 15 + 213 25 50.737000 24.190000 -12.623000 16 G A 2 "GLY " " N " 7 0 0 1 20.44 213 16 + 214 3 51.480000 24.632000 -11.480000 16 G A 2 "GLY " " CA " 6 0 0 1 18.39 214 16 + 215 2 50.554000 24.780000 -10.295000 16 G A 2 "GLY " " C " 6 0 0 1 21.57 215 16 + 216 15 51.103000 24.854000 -9.198000 16 G A 2 "GLY " " O " 8 0 0 1 23.97 216 16 + 217 43 50.496000 23.213000 -12.715000 16 G A 2 "GLY " " H " 1 0 0 1 20.44 217 16 + 218 41 51.946000 25.593000 -11.699000 16 G A 2 "GLY " " HA3" 1 0 0 1 18.39 218 16 + 219 41 52.255000 23.902000 -11.246000 16 G A 2 "GLY " " HA2" 1 0 0 1 18.39 219 16 + 220 25 49.223000 24.861000 -10.441000 17 E A 2 "GLU " " N " 7 0 0 1 21.56 220 17 + 221 3 48.319000 24.857000 -9.304000 17 E A 2 "GLU " " CA " 6 0 0 1 24.54 221 17 + 222 2 48.240000 23.507000 -8.579000 17 E A 2 "GLU " " C " 6 0 0 1 21.95 222 17 + 223 15 48.578000 22.452000 -9.131000 17 E A 2 "GLU " " O " 8 0 0 1 20.26 223 17 + 224 3 46.935000 25.187000 -9.736000 17 E A 2 "GLU " " CB " 6 0 0 1 26.08 224 17 + 225 3 46.697000 26.649000 -9.999000 17 E A 2 "GLU " " CG " 6 0 0 1 34.67 225 17 + 226 2 45.260000 26.976000 -10.409000 17 E A 2 "GLU " " CD " 6 0 0 1 39.87 226 17 + 227 15 44.310000 26.428000 -9.835000 17 E A 2 "GLU " " OE1" 8 0 0 1 44.72 227 17 + 228 18 45.094000 27.792000 -11.316000 17 E A 2 "GLU " " OE2" 8 -1 0 1 42.79 228 17 + 229 43 48.819000 24.928000 -11.364000 17 E A 2 "GLU " " H " 1 0 0 1 21.56 229 17 + 230 41 48.651000 25.614000 -8.594000 17 E A 2 "GLU " " HA " 1 0 0 1 24.54 230 17 + 231 41 46.229000 24.836000 -8.984000 17 E A 2 "GLU " " HB3" 1 0 0 1 26.08 231 17 + 232 41 46.690000 24.615000 -10.631000 17 E A 2 "GLU " " HB2" 1 0 0 1 26.08 232 17 + 233 41 47.381000 26.993000 -10.774000 17 E A 2 "GLU " " HG3" 1 0 0 1 34.67 233 17 + 234 41 46.959000 27.224000 -9.111000 17 E A 2 "GLU " " HG2" 1 0 0 1 34.67 234 17 + 235 25 47.826000 23.507000 -7.318000 18 T A 2 "THR " " N " 7 0 0 1 23.7 235 18 + 236 3 47.508000 22.277000 -6.595000 18 T A 2 "THR " " CA " 6 0 0 1 22.44 236 18 + 237 2 45.977000 22.184000 -6.515000 18 T A 2 "THR " " C " 6 0 0 1 21.72 237 18 + 238 15 45.302000 23.199000 -6.298000 18 T A 2 "THR " " O " 8 0 0 1 23.89 238 18 + 239 3 48.142000 22.337000 -5.208000 18 T A 2 "THR " " CB " 6 0 0 1 22.56 239 18 + 240 16 49.544000 22.192000 -5.450000 18 T A 2 "THR " " OG1" 8 0 0 1 27.56 240 18 + 241 3 47.643000 21.275000 -4.242000 18 T A 2 "THR " " CG2" 6 0 0 1 19.16 241 18 + 242 43 47.720000 24.380000 -6.821000 18 T A 2 "THR " " H " 1 0 0 1 23.7 242 18 + 243 41 47.900000 21.419000 -7.141000 18 T A 2 "THR " " HA " 1 0 0 1 22.44 243 18 + 244 41 47.958000 23.321000 -4.777000 18 T A 2 "THR " " HB " 1 0 0 1 22.56 244 18 + 245 42 49.771000 21.259000 -5.469000 18 T A 2 "THR " " HG1" 1 0 0 1 27.56 245 18 + 246 41 48.146000 21.391000 -3.282000 18 T A 2 "THR " "HG21" 1 0 0 1 19.16 246 18 + 247 41 46.567000 21.385000 -4.104000 18 T A 2 "THR " "HG22" 1 0 0 1 19.16 247 18 + 248 41 47.858000 20.286000 -4.646000 18 T A 2 "THR " "HG23" 1 0 0 1 19.16 248 18 + 249 25 45.372000 21.010000 -6.706000 19 V A 2 "VAL " " N " 7 0 2 1 18.2 249 19 + 250 3 43.923000 20.850000 -6.658000 19 V A 2 "VAL " " CA " 6 0 2 1 18.07 250 19 + 251 2 43.600000 19.615000 -5.813000 19 V A 2 "VAL " " C " 6 0 2 1 18.34 251 19 + 252 15 44.481000 18.768000 -5.590000 19 V A 2 "VAL " " O " 8 0 2 1 18.98 252 19 + 253 3 43.284000 20.653000 -8.074000 19 V A 2 "VAL " " CB " 6 0 2 1 19.99 253 19 + 254 3 43.527000 21.923000 -8.891000 19 V A 2 "VAL " " CG1" 6 0 2 1 19.87 254 19 + 255 3 43.819000 19.389000 -8.766000 19 V A 2 "VAL " " CG2" 6 0 2 1 15.8 255 19 + 256 43 45.921000 20.183000 -6.893000 19 V A 2 "VAL " " H " 1 0 2 1 18.2 256 19 + 257 41 43.483000 21.729000 -6.187000 19 V A 2 "VAL " " HA " 1 0 2 1 18.07 257 19 + 258 41 42.208000 20.536000 -7.945000 19 V A 2 "VAL " " HB " 1 0 2 1 19.99 258 19 + 259 41 43.089000 21.807000 -9.883000 19 V A 2 "VAL " "HG11" 1 0 2 1 19.87 259 19 + 260 41 43.066000 22.773000 -8.388000 19 V A 2 "VAL " "HG12" 1 0 2 1 19.87 260 19 + 261 41 44.599000 22.095000 -8.986000 19 V A 2 "VAL " "HG13" 1 0 2 1 19.87 261 19 + 262 41 43.353000 19.286000 -9.746000 19 V A 2 "VAL " "HG21" 1 0 2 1 15.8 262 19 + 263 41 44.900000 19.469000 -8.885000 19 V A 2 "VAL " "HG22" 1 0 2 1 15.8 263 19 + 264 41 43.585000 18.515000 -8.159000 19 V A 2 "VAL " "HG23" 1 0 2 1 15.8 264 19 + 265 25 42.366000 19.471000 -5.346000 20 T A 2 "THR " " N " 7 0 2 1 20.2 265 20 + 266 3 41.955000 18.351000 -4.509000 20 T A 2 "THR " " CA " 6 0 2 1 20.89 266 20 + 267 2 40.623000 17.848000 -4.995000 20 T A 2 "THR " " C " 6 0 2 1 18.07 267 20 + 268 15 39.740000 18.666000 -5.271000 20 T A 2 "THR " " O " 8 0 2 1 21.67 268 20 + 269 3 41.807000 18.787000 -3.063000 20 T A 2 "THR " " CB " 6 0 2 1 24.4 269 20 + 270 16 43.033000 19.414000 -2.703000 20 T A 2 "THR " " OG1" 8 0 2 1 29.75 270 20 + 271 3 41.530000 17.616000 -2.129000 20 T A 2 "THR " " CG2" 6 0 2 1 26.48 271 20 + 272 43 41.659000 20.158000 -5.567000 20 T A 2 "THR " " H " 1 0 2 1 20.2 272 20 + 273 41 42.694000 17.553000 -4.577000 20 T A 2 "THR " " HA " 1 0 2 1 20.89 273 20 + 274 41 40.995000 19.510000 -2.985000 20 T A 2 "THR " " HB " 1 0 2 1 24.4 274 20 + 275 42 43.187000 20.169000 -3.275000 20 T A 2 "THR " " HG1" 1 0 2 1 29.75 275 20 + 276 41 41.432000 17.981000 -1.107000 20 T A 2 "THR " "HG21" 1 0 2 1 26.48 276 20 + 277 41 40.605000 17.123000 -2.428000 20 T A 2 "THR " "HG22" 1 0 2 1 26.48 277 20 + 278 41 42.354000 16.905000 -2.183000 20 T A 2 "THR " "HG23" 1 0 2 1 26.48 278 20 + 279 25 40.425000 16.535000 -5.093000 21 I A 2 "ILE " " N " 7 0 2 1 18.16 279 21 + 280 3 39.172000 15.954000 -5.571000 21 I A 2 "ILE " " CA " 6 0 2 1 17.85 280 21 + 281 2 38.669000 15.092000 -4.414000 21 I A 2 "ILE " " C " 6 0 2 1 17.38 281 21 + 282 15 39.515000 14.447000 -3.790000 21 I A 2 "ILE " " O " 8 0 2 1 16.75 282 21 + 283 3 39.423000 15.071000 -6.822000 21 I A 2 "ILE " " CB " 6 0 2 1 18.01 283 21 + 284 3 39.930000 15.947000 -7.969000 21 I A 2 "ILE " " CG1" 6 0 2 1 22.33 284 21 + 285 3 38.119000 14.363000 -7.239000 21 I A 2 "ILE " " CG2" 6 0 2 1 19.5 285 21 + 286 3 40.546000 15.172000 -9.175000 21 I A 2 "ILE " " CD1" 6 0 2 1 22.55 286 21 + 287 43 41.159000 15.893000 -4.831000 21 I A 2 "ILE " " H " 1 0 2 1 18.16 287 21 + 288 41 38.452000 16.740000 -5.800000 21 I A 2 "ILE " " HA " 1 0 2 1 17.85 288 21 + 289 41 40.177000 14.321000 -6.585000 21 I A 2 "ILE " " HB " 1 0 2 1 18.01 289 21 + 290 41 40.663000 16.656000 -7.584000 21 I A 2 "ILE " "HG13" 1 0 2 1 22.33 290 21 + 291 41 39.118000 16.581000 -8.325000 21 I A 2 "ILE " "HG12" 1 0 2 1 22.33 291 21 + 292 41 38.305000 13.746000 -8.118000 21 I A 2 "ILE " "HG21" 1 0 2 1 19.5 292 21 + 293 41 37.769000 13.733000 -6.421000 21 I A 2 "ILE " "HG22" 1 0 2 1 19.5 293 21 + 294 41 37.359000 15.108000 -7.474000 21 I A 2 "ILE " "HG23" 1 0 2 1 19.5 294 21 + 295 41 40.875000 15.882000 -9.934000 21 I A 2 "ILE " "HD11" 1 0 2 1 22.55 295 21 + 296 41 41.399000 14.585000 -8.833000 21 I A 2 "ILE " "HD12" 1 0 2 1 22.55 296 21 + 297 41 39.795000 14.507000 -9.602000 21 I A 2 "ILE " "HD13" 1 0 2 1 22.55 297 21 + 298 25 37.380000 15.035000 -4.059000 22 T A 2 "THR " " N " 7 0 2 1 17.91 298 22 + 299 3 36.939000 14.193000 -2.959000 22 T A 2 "THR " " CA " 6 0 2 1 18.36 299 22 + 300 2 35.891000 13.160000 -3.319000 22 T A 2 "THR " " C " 6 0 2 1 15.75 300 22 + 301 15 35.093000 13.345000 -4.242000 22 T A 2 "THR " " O " 8 0 2 1 15.52 301 22 + 302 3 36.415000 15.097000 -1.809000 22 T A 2 "THR " " CB " 6 0 2 1 20 302 22 + 303 16 35.269000 15.799000 -2.292000 22 T A 2 "THR " " OG1" 8 0 2 1 22.72 303 22 + 304 3 37.431000 16.139000 -1.385000 22 T A 2 "THR " " CG2" 6 0 2 1 19.97 304 22 + 305 43 36.694000 15.583000 -4.558000 22 T A 2 "THR " " H " 1 0 2 1 17.91 305 22 + 306 41 37.812000 13.658000 -2.584000 22 T A 2 "THR " " HA " 1 0 2 1 18.36 306 22 + 307 41 36.138000 14.482000 -0.953000 22 T A 2 "THR " " HB " 1 0 2 1 20 307 22 + 308 42 35.517000 16.334000 -3.049000 22 T A 2 "THR " " HG1" 1 0 2 1 22.72 308 22 + 309 41 37.016000 16.745000 -0.579000 22 T A 2 "THR " "HG21" 1 0 2 1 19.97 309 22 + 310 41 38.337000 15.643000 -1.037000 22 T A 2 "THR " "HG22" 1 0 2 1 19.97 310 22 + 311 41 37.671000 16.780000 -2.234000 22 T A 2 "THR " "HG23" 1 0 2 1 19.97 311 22 + 312 25 35.898000 12.048000 -2.629000 23 C A 2 "CYS " " N " 7 0 2 1 15.81 312 23 + 313 3 34.879000 11.041000 -2.764000 23 C A 2 "CYS " " CA " 6 0 2 1 17.76 313 23 + 314 2 34.402000 10.720000 -1.368000 23 C A 2 "CYS " " C " 6 0 2 1 15.4 314 23 + 315 15 35.216000 10.443000 -0.483000 23 C A 2 "CYS " " O " 8 0 2 1 18.23 315 23 + 316 3 35.421000 9.763000 -3.415000 23 C A 2 "CYS " " CB " 6 0 2 1 18.35 316 23 + 317 49 35.279000 9.926000 -5.224000 23 C A 2 "CYS " " SG " 16 0 2 1 24.36 317 23 + 318 43 36.640000 11.868000 -1.968000 23 C A 2 "CYS " " H " 1 0 2 1 15.81 318 23 + 319 41 34.051000 11.432000 -3.355000 23 C A 2 "CYS " " HA " 1 0 2 1 17.76 319 23 + 320 41 34.834000 8.908000 -3.080000 23 C A 2 "CYS " " HB3" 1 0 2 1 18.35 320 23 + 321 41 36.469000 9.633000 -3.143000 23 C A 2 "CYS " " HB2" 1 0 2 1 18.35 321 23 + 322 25 33.105000 10.798000 -1.127000 24 R A 2 "ARG " " N " 7 0 2 1 16.44 322 24 + 323 3 32.583000 10.439000 0.167000 24 R A 2 "ARG " " CA " 6 0 2 1 18.34 323 24 + 324 2 31.742000 9.192000 0.003000 24 R A 2 "ARG " " C " 6 0 2 1 15.89 324 24 + 325 15 30.869000 9.139000 -0.863000 24 R A 2 "ARG " " O " 8 0 2 1 18.71 325 24 + 326 3 31.788000 11.631000 0.699000 24 R A 2 "ARG " " CB " 6 0 2 1 19.2 326 24 + 327 3 30.884000 11.285000 1.890000 24 R A 2 "ARG " " CG " 6 0 2 1 25.12 327 24 + 328 3 30.165000 12.449000 2.578000 24 R A 2 "ARG " " CD " 6 0 2 1 29.73 328 24 + 329 25 29.498000 13.397000 1.692000 24 R A 2 "ARG " " NE " 7 0 2 1 34.02 329 24 + 330 2 28.340000 13.186000 1.055000 24 R A 2 "ARG " " CZ " 6 0 2 1 33.69 330 24 + 331 25 27.626000 12.068000 1.191000 24 R A 2 "ARG " " NH1" 7 0 2 1 35.29 331 24 + 332 31 27.876000 14.146000 0.255000 24 R A 2 "ARG " " NH2" 7 1 2 1 34.35 332 24 + 333 43 32.475000 11.110000 -1.852000 24 R A 2 "ARG " " H " 1 0 2 1 16.44 333 24 + 334 41 33.411000 10.228000 0.843000 24 R A 2 "ARG " " HA " 1 0 2 1 18.34 334 24 + 335 41 31.183000 12.050000 -0.105000 24 R A 2 "ARG " " HB3" 1 0 2 1 19.2 335 24 + 336 41 32.477000 12.426000 0.986000 24 R A 2 "ARG " " HB2" 1 0 2 1 19.2 336 24 + 337 41 31.463000 10.733000 2.631000 24 R A 2 "ARG " " HG3" 1 0 2 1 25.12 337 24 + 338 41 30.149000 10.543000 1.578000 24 R A 2 "ARG " " HG2" 1 0 2 1 25.12 338 24 + 339 41 30.872000 12.985000 3.211000 24 R A 2 "ARG " " HD3" 1 0 2 1 29.73 339 24 + 340 41 29.442000 12.054000 3.292000 24 R A 2 "ARG " " HD2" 1 0 2 1 29.73 340 24 + 341 43 29.985000 14.274000 1.577000 24 R A 2 "ARG " " HE " 1 0 2 1 34.02 341 24 + 342 43 26.758000 11.959000 0.687000 24 R A 2 "ARG " "HH12" 1 0 2 1 35.29 342 24 + 343 43 27.954000 11.330000 1.798000 24 R A 2 "ARG " "HH11" 1 0 2 1 35.29 343 24 + 344 44 27.005000 14.015000 -0.239000 24 R A 2 "ARG " "HH22" 1 0 2 1 34.35 344 24 + 345 44 28.396000 15.005000 0.142000 24 R A 2 "ARG " "HH21" 1 0 2 1 34.35 345 24 + 346 25 31.995000 8.163000 0.792000 25 A A 2 "ALA " " N " 7 0 2 1 15.98 346 25 + 347 3 31.231000 6.921000 0.754000 25 A A 2 "ALA " " CA " 6 0 2 1 16.09 347 25 + 348 2 30.002000 6.926000 1.673000 25 A A 2 "ALA " " C " 6 0 2 1 17.01 348 25 + 349 15 30.101000 7.449000 2.778000 25 A A 2 "ALA " " O " 8 0 2 1 16.56 349 25 + 350 3 32.124000 5.783000 1.180000 25 A A 2 "ALA " " CB " 6 0 2 1 13.41 350 25 + 351 43 32.749000 8.214000 1.462000 25 A A 2 "ALA " " H " 1 0 2 1 15.98 351 25 + 352 41 30.902000 6.744000 -0.270000 25 A A 2 "ALA " " HA " 1 0 2 1 16.09 352 25 + 353 41 31.561000 4.850000 1.155000 25 A A 2 "ALA " " HB1" 1 0 2 1 13.41 353 25 + 354 41 32.973000 5.713000 0.500000 25 A A 2 "ALA " " HB2" 1 0 2 1 13.41 354 25 + 355 41 32.484000 5.962000 2.193000 25 A A 2 "ALA " " HB3" 1 0 2 1 13.41 355 25 + 356 25 28.843000 6.362000 1.303000 26 S A 2 "SER " " N " 7 0 0 1 17.36 356 26 + 357 3 27.689000 6.308000 2.171000 26 S A 2 "SER " " CA " 6 0 0 1 18.79 357 26 + 358 2 27.872000 5.308000 3.319000 26 S A 2 "SER " " C " 6 0 0 1 20.22 358 26 + 359 15 27.055000 5.262000 4.249000 26 S A 2 "SER " " O " 8 0 0 1 24.64 359 26 + 360 3 26.456000 5.930000 1.359000 26 S A 2 "SER " " CB " 6 0 0 1 16.64 360 26 + 361 16 26.637000 4.678000 0.699000 26 S A 2 "SER " " OG " 8 0 0 1 17.82 361 26 + 362 43 28.751000 5.952000 0.384000 26 S A 2 "SER " " H " 1 0 0 1 17.36 362 26 + 363 41 27.531000 7.299000 2.598000 26 S A 2 "SER " " HA " 1 0 0 1 18.79 363 26 + 364 41 26.257000 6.705000 0.619000 26 S A 2 "SER " " HB3" 1 0 0 1 16.64 364 26 + 365 41 25.591000 5.870000 2.019000 26 S A 2 "SER " " HB2" 1 0 0 1 16.64 365 26 + 366 42 26.312000 3.970000 1.260000 26 S A 2 "SER " " HG " 1 0 0 1 17.82 366 26 + 367 25 28.923000 4.489000 3.314000 27 G A 2 "GLY " " N " 7 0 0 1 18.04 367 27 + 368 3 29.190000 3.577000 4.396000 27 G A 2 "GLY " " CA " 6 0 0 1 14.19 368 27 + 369 2 30.669000 3.343000 4.447000 27 G A 2 "GLY " " C " 6 0 0 1 16.77 369 27 + 370 15 31.370000 3.639000 3.467000 27 G A 2 "GLY " " O " 8 0 0 1 17.94 370 27 + 371 43 29.564000 4.495000 2.533000 27 G A 2 "GLY " " H " 1 0 0 1 18.04 371 27 + 372 41 28.679000 2.632000 4.209000 27 G A 2 "GLY " " HA3" 1 0 0 1 14.19 372 27 + 373 41 28.860000 4.022000 5.335000 27 G A 2 "GLY " " HA2" 1 0 0 1 14.19 373 27 + 374 25 31.177000 2.856000 5.583000 28 N A 2 "ASN " " N " 7 0 0 1 16.12 374 28 + 375 3 32.615000 2.654000 5.755000 28 N A 2 "ASN " " CA " 6 0 0 1 19.88 375 28 + 376 2 33.165000 1.646000 4.741000 28 N A 2 "ASN " " C " 6 0 0 1 19.16 376 28 + 377 15 32.667000 0.513000 4.629000 28 N A 2 "ASN " " O " 8 0 0 1 17.27 377 28 + 378 3 32.876000 2.157000 7.167000 28 N A 2 "ASN " " CB " 6 0 0 1 19.16 378 28 + 379 2 34.324000 2.099000 7.594000 28 N A 2 "ASN " " CG " 6 0 0 1 19.6 379 28 + 380 15 35.268000 2.367000 6.845000 28 N A 2 "ASN " " OD1" 8 0 0 1 19.73 380 28 + 381 25 34.584000 1.642000 8.811000 28 N A 2 "ASN " " ND2" 7 0 0 1 23.36 381 28 + 382 43 30.564000 2.618000 6.349000 28 N A 2 "ASN " " H " 1 0 0 1 16.12 382 28 + 383 41 33.124000 3.608000 5.617000 28 N A 2 "ASN " " HA " 1 0 0 1 19.88 383 28 + 384 41 32.425000 1.172000 7.291000 28 N A 2 "ASN " " HB3" 1 0 0 1 19.16 384 28 + 385 41 32.317000 2.771000 7.873000 28 N A 2 "ASN " " HB2" 1 0 0 1 19.16 385 28 + 386 43 35.539000 1.587000 9.136000 28 N A 2 "ASN " "HD22" 1 0 0 1 23.36 386 28 + 387 43 33.828000 1.349000 9.413000 28 N A 2 "ASN " "HD21" 1 0 0 1 23.36 387 28 + 388 25 34.120000 2.070000 3.922000 29 I A 2 "ILE " " N " 7 0 0 1 17.75 388 29 + 389 3 34.721000 1.156000 2.963000 29 I A 2 "ILE " " CA " 6 0 0 1 15.68 389 29 + 390 2 36.093000 0.678000 3.396000 29 I A 2 "ILE " " C " 6 0 0 1 15.4 390 29 + 391 15 36.791000 -0.020000 2.650000 29 I A 2 "ILE " " O " 8 0 0 1 14.35 391 29 + 392 3 34.797000 1.790000 1.536000 29 I A 2 "ILE " " CB " 6 0 0 1 13.45 392 29 + 393 3 35.465000 3.158000 1.508000 29 I A 2 "ILE " " CG1" 6 0 0 1 13.79 393 29 + 394 3 33.368000 1.872000 1.012000 29 I A 2 "ILE " " CG2" 6 0 0 1 11.35 394 29 + 395 3 35.661000 3.646000 0.049000 29 I A 2 "ILE " " CD1" 6 0 0 1 13.34 395 29 + 396 43 34.431000 3.030000 3.964000 29 I A 2 "ILE " " H " 1 0 0 1 17.75 396 29 + 397 41 34.075000 0.280000 2.897000 29 I A 2 "ILE " " HA " 1 0 0 1 15.68 397 29 + 398 41 35.362000 1.118000 0.890000 29 I A 2 "ILE " " HB " 1 0 0 1 13.45 398 29 + 399 41 36.434000 3.099000 2.004000 29 I A 2 "ILE " "HG13" 1 0 0 1 13.79 399 29 + 400 41 34.848000 3.874000 2.050000 29 I A 2 "ILE " "HG12" 1 0 0 1 13.79 400 29 + 401 41 33.371000 2.310000 0.014000 29 I A 2 "ILE " "HG21" 1 0 0 1 11.35 401 29 + 402 41 32.939000 0.871000 0.967000 29 I A 2 "ILE " "HG22" 1 0 0 1 11.35 402 29 + 403 41 32.771000 2.493000 1.679000 29 I A 2 "ILE " "HG23" 1 0 0 1 11.35 403 29 + 404 41 36.140000 4.625000 0.054000 29 I A 2 "ILE " "HD11" 1 0 0 1 13.34 404 29 + 405 41 36.290000 2.937000 -0.490000 29 I A 2 "ILE " "HD12" 1 0 0 1 13.34 405 29 + 406 41 34.691000 3.719000 -0.444000 29 I A 2 "ILE " "HD13" 1 0 0 1 13.34 406 29 + 407 25 36.509000 1.061000 4.616000 30 H A 2 "HIS " " N " 7 0 0 1 12.79 407 30 + 408 3 37.711000 0.535000 5.256000 30 H A 2 "HIS " " CA " 6 0 0 1 15 408 30 + 409 2 39.017000 0.678000 4.452000 30 H A 2 "HIS " " C " 6 0 0 1 16.87 409 30 + 410 15 39.825000 -0.259000 4.413000 30 H A 2 "HIS " " O " 8 0 0 1 13.64 410 30 + 411 3 37.499000 -0.963000 5.598000 30 H A 2 "HIS " " CB " 6 0 0 1 16.67 411 30 + 412 2 36.388000 -1.259000 6.588000 30 H A 2 "HIS " " CG " 6 0 0 1 18.81 412 30 + 413 25 35.062000 -1.379000 6.263000 30 H A 2 "HIS " " ND1" 7 0 0 1 20.31 413 30 + 414 2 36.498000 -1.384000 7.906000 30 H A 2 "HIS " " CD2" 6 0 0 1 19.39 414 30 + 415 2 34.450000 -1.568000 7.403000 30 H A 2 "HIS " " CE1" 6 0 0 1 18.5 415 30 + 416 25 35.302000 -1.572000 8.389000 30 H A 2 "HIS " " NE2" 7 0 0 1 20.73 416 30 + 417 43 35.981000 1.746000 5.138000 30 H A 2 "HIS " " H " 1 0 0 1 12.79 417 30 + 418 41 37.844000 1.071000 6.196000 30 H A 2 "HIS " " HA " 1 0 0 1 15 418 30 + 419 41 38.434000 -1.383000 5.970000 30 H A 2 "HIS " " HB3" 1 0 0 1 16.67 419 30 + 420 41 37.320000 -1.520000 4.679000 30 H A 2 "HIS " " HB2" 1 0 0 1 16.67 420 30 + 421 43 34.750000 -1.308000 5.231000 30 H A 2 "HIS " " HD1" 1 0 0 1 20.31 421 30 + 422 41 37.406000 -1.325000 8.345000 30 H A 2 "HIS " " HD2" 1 0 0 1 19.39 422 30 + 423 41 33.447000 -1.686000 7.424000 30 H A 2 "HIS " " HE1" 1 0 0 1 18.5 423 30 + 424 25 39.215000 1.822000 3.772000 31 N A 2 "ASN " " N " 7 0 0 1 17.62 424 31 + 425 3 40.395000 2.147000 2.962000 31 N A 2 "ASN " " CA " 6 0 0 1 17.82 425 31 + 426 2 40.501000 1.458000 1.616000 31 N A 2 "ASN " " C " 6 0 0 1 14.77 426 31 + 427 15 41.493000 1.670000 0.929000 31 N A 2 "ASN " " O " 8 0 0 1 14.71 427 31 + 428 3 41.727000 1.856000 3.683000 31 N A 2 "ASN " " CB " 6 0 0 1 24.78 428 31 + 429 2 42.229000 2.999000 4.528000 31 N A 2 "ASN " " CG " 6 0 0 1 31.57 429 31 + 430 15 41.567000 3.428000 5.462000 31 N A 2 "ASN " " OD1" 8 0 0 1 36.35 430 31 + 431 25 43.406000 3.569000 4.333000 31 N A 2 "ASN " " ND2" 7 0 0 1 38.99 431 31 + 432 43 38.515000 2.550000 3.793000 31 N A 2 "ASN " " H " 1 0 0 1 17.62 432 31 + 433 41 40.364000 3.219000 2.770000 31 N A 2 "ASN " " HA " 1 0 0 1 17.82 433 31 + 434 41 42.486000 1.590000 2.947000 31 N A 2 "ASN " " HB3" 1 0 0 1 24.78 434 31 + 435 41 41.615000 0.968000 4.306000 31 N A 2 "ASN " " HB2" 1 0 0 1 24.78 435 31 + 436 43 43.701000 4.333000 4.924000 31 N A 2 "ASN " "HD22" 1 0 0 1 38.99 436 31 + 437 43 44.010000 3.241000 3.593000 31 N A 2 "ASN " "HD21" 1 0 0 1 38.99 437 31 + 438 25 39.537000 0.643000 1.163000 32 Y A 2 "TYR " " N " 7 0 0 1 13.03 438 32 + 439 3 39.579000 -0.062000 -0.121000 32 Y A 2 "TYR " " CA " 6 0 0 1 12.51 439 32 + 440 2 39.026000 0.896000 -1.164000 32 Y A 2 "TYR " " C " 6 0 0 1 12.06 440 32 + 441 15 37.881000 0.792000 -1.602000 32 Y A 2 "TYR " " O " 8 0 0 1 10.17 441 32 + 442 3 38.711000 -1.359000 -0.103000 32 Y A 2 "TYR " " CB " 6 0 0 1 9.99 442 32 + 443 2 39.465000 -2.452000 0.614000 32 Y A 2 "TYR " " CG " 6 0 0 1 13.53 443 32 + 444 2 40.376000 -3.237000 -0.075000 32 Y A 2 "TYR " " CD1" 6 0 0 1 12.86 444 32 + 445 2 39.264000 -2.644000 1.969000 32 Y A 2 "TYR " " CD2" 6 0 0 1 13.11 445 32 + 446 2 41.086000 -4.213000 0.608000 32 Y A 2 "TYR " " CE1" 6 0 0 1 15.28 446 32 + 447 2 39.972000 -3.617000 2.663000 32 Y A 2 "TYR " " CE2" 6 0 0 1 12.5 447 32 + 448 2 40.878000 -4.405000 1.972000 32 Y A 2 "TYR " " CZ " 6 0 0 1 14.92 448 32 + 449 16 41.538000 -5.432000 2.642000 32 Y A 2 "TYR " " OH " 8 0 0 1 15.67 449 32 + 450 43 38.710000 0.481000 1.720000 32 Y A 2 "TYR " " H " 1 0 0 1 13.03 450 32 + 451 41 40.610000 -0.315000 -0.366000 32 Y A 2 "TYR " " HA " 1 0 0 1 12.51 451 32 + 452 41 38.504000 -1.672000 -1.126000 32 Y A 2 "TYR " " HB3" 1 0 0 1 9.99 452 32 + 453 41 37.774000 -1.162000 0.418000 32 Y A 2 "TYR " " HB2" 1 0 0 1 9.99 453 32 + 454 41 40.527000 -3.086000 -1.134000 32 Y A 2 "TYR " " HD1" 1 0 0 1 12.86 454 32 + 455 41 38.549000 -2.033000 2.501000 32 Y A 2 "TYR " " HD2" 1 0 0 1 13.11 455 32 + 456 41 41.803000 -4.827000 0.082000 32 Y A 2 "TYR " " HE1" 1 0 0 1 15.28 456 32 + 457 41 39.812000 -3.749000 3.723000 32 Y A 2 "TYR " " HE2" 1 0 0 1 12.5 457 32 + 458 42 42.089000 -5.916000 2.023000 32 Y A 2 "TYR " " HH " 1 0 0 1 15.67 458 32 + 459 25 39.835000 1.862000 -1.550000 33 L A 2 "LEU " " N " 7 0 2 1 11.48 459 33 + 460 3 39.384000 2.847000 -2.502000 33 L A 2 "LEU " " CA " 6 0 2 1 14.29 460 33 + 461 2 40.542000 3.086000 -3.476000 33 L A 2 "LEU " " C " 6 0 2 1 11.41 461 33 + 462 15 41.712000 3.166000 -3.082000 33 L A 2 "LEU " " O " 8 0 2 1 13.48 462 33 + 463 3 38.986000 4.167000 -1.771000 33 L A 2 "LEU " " CB " 6 0 2 1 14.2 463 33 + 464 3 38.504000 5.268000 -2.736000 33 L A 2 "LEU " " CG " 6 0 2 1 14.35 464 33 + 465 3 37.047000 5.522000 -2.562000 33 L A 2 "LEU " " CD1" 6 0 2 1 16.21 465 33 + 466 3 39.307000 6.527000 -2.503000 33 L A 2 "LEU " " CD2" 6 0 2 1 15.4 466 33 + 467 43 40.773000 1.914000 -1.179000 33 L A 2 "LEU " " H " 1 0 2 1 11.48 467 33 + 468 41 38.524000 2.459000 -3.047000 33 L A 2 "LEU " " HA " 1 0 2 1 14.29 468 33 + 469 41 39.838000 4.535000 -1.198000 33 L A 2 "LEU " " HB3" 1 0 2 1 14.2 469 33 + 470 41 38.203000 3.956000 -1.043000 33 L A 2 "LEU " " HB2" 1 0 2 1 14.2 470 33 + 471 41 38.677000 4.932000 -3.758000 33 L A 2 "LEU " " HG " 1 0 2 1 14.35 471 33 + 472 41 36.729000 6.303000 -3.253000 33 L A 2 "LEU " "HD11" 1 0 2 1 16.21 472 33 + 473 41 36.491000 4.607000 -2.767000 33 L A 2 "LEU " "HD12" 1 0 2 1 16.21 473 33 + 474 41 36.853000 5.843000 -1.538000 33 L A 2 "LEU " "HD13" 1 0 2 1 16.21 474 33 + 475 41 38.967000 7.307000 -3.185000 33 L A 2 "LEU " "HD21" 1 0 2 1 15.4 475 33 + 476 41 39.171000 6.860000 -1.474000 33 L A 2 "LEU " "HD22" 1 0 2 1 15.4 476 33 + 477 41 40.363000 6.323000 -2.682000 33 L A 2 "LEU " "HD23" 1 0 2 1 15.4 477 33 + 478 25 40.201000 3.212000 -4.744000 34 A A 2 "ALA " " N " 7 0 2 1 14.93 478 34 + 479 3 41.168000 3.434000 -5.807000 34 A A 2 "ALA " " CA " 6 0 2 1 15.63 479 34 + 480 2 40.785000 4.643000 -6.673000 34 A A 2 "ALA " " C " 6 0 2 1 15.07 480 34 + 481 15 39.610000 5.019000 -6.773000 34 A A 2 "ALA " " O " 8 0 2 1 14.7 481 34 + 482 3 41.252000 2.170000 -6.690000 34 A A 2 "ALA " " CB " 6 0 2 1 14.01 482 34 + 483 43 39.229000 3.155000 -5.014000 34 A A 2 "ALA " " H " 1 0 2 1 14.93 483 34 + 484 41 42.145000 3.617000 -5.361000 34 A A 2 "ALA " " HA " 1 0 2 1 15.63 484 34 + 485 41 41.976000 2.332000 -7.489000 34 A A 2 "ALA " " HB1" 1 0 2 1 14.01 485 34 + 486 41 41.566000 1.322000 -6.082000 34 A A 2 "ALA " " HB2" 1 0 2 1 14.01 486 34 + 487 41 40.274000 1.963000 -7.124000 34 A A 2 "ALA " " HB3" 1 0 2 1 14.01 487 34 + 488 25 41.767000 5.294000 -7.288000 35 W A 2 "TRP " " N " 7 0 2 1 13.2 488 35 + 489 3 41.554000 6.430000 -8.161000 35 W A 2 "TRP " " CA " 6 0 2 1 14.47 489 35 + 490 2 42.120000 6.110000 -9.534000 35 W A 2 "TRP " " C " 6 0 2 1 12.69 490 35 + 491 15 43.174000 5.479000 -9.660000 35 W A 2 "TRP " " O " 8 0 2 1 12.57 491 35 + 492 3 42.250000 7.684000 -7.613000 35 W A 2 "TRP " " CB " 6 0 2 1 12.42 492 35 + 493 2 41.632000 8.266000 -6.337000 35 W A 2 "TRP " " CG " 6 0 2 1 11.61 493 35 + 494 2 42.118000 7.933000 -5.097000 35 W A 2 "TRP " " CD1" 6 0 2 1 11.1 494 35 + 495 2 40.624000 9.192000 -6.271000 35 W A 2 "TRP " " CD2" 6 0 2 1 11.48 495 35 + 496 25 41.426000 8.648000 -4.235000 35 W A 2 "TRP " " NE1" 7 0 2 1 13.94 496 35 + 497 2 40.516000 9.408000 -4.887000 35 W A 2 "TRP " " CE2" 6 0 2 1 14.81 497 35 + 498 2 39.801000 9.854000 -7.162000 35 W A 2 "TRP " " CE3" 6 0 2 1 9.88 498 35 + 499 2 39.598000 10.321000 -4.377000 35 W A 2 "TRP " " CZ2" 6 0 2 1 11.68 499 35 + 500 2 38.881000 10.760000 -6.640000 35 W A 2 "TRP " " CZ3" 6 0 2 1 13.73 500 35 + 501 2 38.774000 10.990000 -5.265000 35 W A 2 "TRP " " CH2" 6 0 2 1 9.44 501 35 + 502 43 42.725000 5.002000 -7.158000 35 W A 2 "TRP " " H " 1 0 2 1 13.2 502 35 + 503 41 40.484000 6.621000 -8.248000 35 W A 2 "TRP " " HA " 1 0 2 1 14.47 503 35 + 504 41 42.270000 8.452000 -8.386000 35 W A 2 "TRP " " HB3" 1 0 2 1 12.42 504 35 + 505 41 43.303000 7.464000 -7.436000 35 W A 2 "TRP " " HB2" 1 0 2 1 12.42 505 35 + 506 41 42.914000 7.209000 -5.006000 35 W A 2 "TRP " " HD1" 1 0 2 1 11.1 506 35 + 507 43 41.619000 8.573000 -3.246000 35 W A 2 "TRP " " HE1" 1 0 2 1 13.94 507 35 + 508 41 39.885000 9.660000 -8.221000 35 W A 2 "TRP " " HE3" 1 0 2 1 9.88 508 35 + 509 41 39.542000 10.493000 -3.312000 35 W A 2 "TRP " " HZ2" 1 0 2 1 11.68 509 35 + 510 41 38.226000 11.307000 -7.302000 35 W A 2 "TRP " " HZ3" 1 0 2 1 13.73 510 35 + 511 41 38.043000 11.695000 -4.897000 35 W A 2 "TRP " " HH2" 1 0 2 1 9.44 511 35 + 512 25 41.421000 6.520000 -10.561000 36 Y A 2 "TYR " " N " 7 0 2 1 12.32 512 36 + 513 3 41.810000 6.323000 -11.956000 36 Y A 2 "TYR " " CA " 6 0 2 1 14.74 513 36 + 514 2 41.815000 7.671000 -12.683000 36 Y A 2 "TYR " " C " 6 0 2 1 14.27 514 36 + 515 15 41.010000 8.561000 -12.358000 36 Y A 2 "TYR " " O " 8 0 2 1 14.76 515 36 + 516 3 40.818000 5.378000 -12.732000 36 Y A 2 "TYR " " CB " 6 0 2 1 12.87 516 36 + 517 2 40.637000 4.020000 -12.092000 36 Y A 2 "TYR " " CG " 6 0 2 1 15.3 517 36 + 518 2 41.478000 2.968000 -12.407000 36 Y A 2 "TYR " " CD1" 6 0 2 1 14.71 518 36 + 519 2 39.628000 3.862000 -11.146000 36 Y A 2 "TYR " " CD2" 6 0 2 1 16.62 519 36 + 520 2 41.325000 1.761000 -11.749000 36 Y A 2 "TYR " " CE1" 6 0 2 1 15.69 520 36 + 521 2 39.472000 2.655000 -10.482000 36 Y A 2 "TYR " " CE2" 6 0 2 1 15.63 521 36 + 522 2 40.325000 1.617000 -10.799000 36 Y A 2 "TYR " " CZ " 6 0 2 1 16.15 522 36 + 523 16 40.213000 0.426000 -10.129000 36 Y A 2 "TYR " " OH " 8 0 2 1 14.33 523 36 + 524 43 40.549000 7.009000 -10.416000 36 Y A 2 "TYR " " H " 1 0 2 1 12.32 524 36 + 525 41 42.812000 5.895000 -11.990000 36 Y A 2 "TYR " " HA " 1 0 2 1 14.74 525 36 + 526 41 41.167000 5.251000 -13.757000 36 Y A 2 "TYR " " HB3" 1 0 2 1 12.87 526 36 + 527 41 39.848000 5.867000 -12.822000 36 Y A 2 "TYR " " HB2" 1 0 2 1 12.87 527 36 + 528 41 42.243000 3.095000 -13.159000 36 Y A 2 "TYR " " HD1" 1 0 2 1 14.71 528 36 + 529 41 38.961000 4.682000 -10.926000 36 Y A 2 "TYR " " HD2" 1 0 2 1 16.62 529 36 + 530 41 41.983000 0.935000 -11.976000 36 Y A 2 "TYR " " HE1" 1 0 2 1 15.69 530 36 + 531 41 38.698000 2.544000 -9.737000 36 Y A 2 "TYR " " HE2" 1 0 2 1 15.63 531 36 + 532 42 39.295000 0.278000 -9.890000 36 Y A 2 "TYR " " HH " 1 0 2 1 14.33 532 36 + 533 25 42.701000 7.787000 -13.675000 37 Q A 2 "GLN " " N " 7 0 2 1 14.45 533 37 + 534 3 42.723000 8.919000 -14.582000 37 Q A 2 "GLN " " CA " 6 0 2 1 15.04 534 37 + 535 2 42.252000 8.422000 -15.943000 37 Q A 2 "GLN " " C " 6 0 2 1 14.89 535 37 + 536 15 42.637000 7.325000 -16.368000 37 Q A 2 "GLN " " O " 8 0 2 1 16.25 536 37 + 537 3 44.134000 9.471000 -14.712000 37 Q A 2 "GLN " " CB " 6 0 2 1 15.49 537 37 + 538 3 44.341000 10.662000 -15.642000 37 Q A 2 "GLN " " CG " 6 0 2 1 17.74 538 37 + 539 2 45.847000 10.881000 -15.762000 37 Q A 2 "GLN " " CD " 6 0 2 1 21.79 539 37 + 540 15 46.607000 9.944000 -16.309000 37 Q A 2 "GLN " " OE1" 8 0 2 1 26.08 540 37 + 541 25 46.418000 11.857000 -15.278000 37 Q A 2 "GLN " " NE2" 7 0 2 1 22.44 541 37 + 542 43 43.395000 7.068000 -13.819000 37 Q A 2 "GLN " " H " 1 0 2 1 14.45 542 37 + 543 41 42.052000 9.698000 -14.219000 37 Q A 2 "GLN " " HA " 1 0 2 1 15.04 543 37 + 544 41 44.807000 8.666000 -15.006000 37 Q A 2 "GLN " " HB3" 1 0 2 1 15.49 544 37 + 545 41 44.513000 9.721000 -13.721000 37 Q A 2 "GLN " " HB2" 1 0 2 1 15.49 545 37 + 546 41 43.879000 11.548000 -15.205000 37 Q A 2 "GLN " " HG3" 1 0 2 1 17.74 546 37 + 547 41 43.929000 10.431000 -16.624000 37 Q A 2 "GLN " " HG2" 1 0 2 1 17.74 547 37 + 548 43 47.417000 11.961000 -15.382000 37 Q A 2 "GLN " "HE22" 1 0 2 1 22.44 548 37 + 549 43 45.888000 12.555000 -14.776000 37 Q A 2 "GLN " "HE21" 1 0 2 1 22.44 549 37 + 550 25 41.428000 9.184000 -16.654000 38 Q A 2 "GLN " " N " 7 0 2 1 14.65 550 38 + 551 3 41.033000 8.822000 -17.996000 38 Q A 2 "GLN " " CA " 6 0 2 1 16.47 551 38 + 552 2 41.270000 10.038000 -18.876000 38 Q A 2 "GLN " " C " 6 0 2 1 18.72 552 38 + 553 15 40.699000 11.112000 -18.645000 38 Q A 2 "GLN " " O " 8 0 2 1 16.72 553 38 + 554 3 39.577000 8.441000 -18.054000 38 Q A 2 "GLN " " CB " 6 0 2 1 15.88 554 38 + 555 3 39.219000 7.945000 -19.456000 38 Q A 2 "GLN " " CG " 6 0 2 1 16.45 555 38 + 556 2 37.801000 7.411000 -19.533000 38 Q A 2 "GLN " " CD " 6 0 2 1 21.22 556 38 + 557 15 36.888000 7.927000 -18.870000 38 Q A 2 "GLN " " OE1" 8 0 2 1 23.12 557 38 + 558 25 37.579000 6.368000 -20.314000 38 Q A 2 "GLN " " NE2" 7 0 2 1 18.15 558 38 + 559 43 41.063000 10.038000 -16.258000 38 Q A 2 "GLN " " H " 1 0 2 1 14.65 559 38 + 560 41 41.644000 7.990000 -18.347000 38 Q A 2 "GLN " " HA " 1 0 2 1 16.47 560 38 + 561 41 38.965000 9.309000 -17.808000 38 Q A 2 "GLN " " HB3" 1 0 2 1 15.88 561 38 + 562 41 39.379000 7.652000 -17.328000 38 Q A 2 "GLN " " HB2" 1 0 2 1 15.88 562 38 + 563 41 39.918000 7.163000 -19.753000 38 Q A 2 "GLN " " HG3" 1 0 2 1 16.45 563 38 + 564 41 39.339000 8.760000 -20.170000 38 Q A 2 "GLN " " HG2" 1 0 2 1 16.45 564 38 + 565 43 36.648000 5.984000 -20.391000 38 Q A 2 "GLN " "HE22" 1 0 2 1 18.15 565 38 + 566 43 38.340000 5.955000 -20.833000 38 Q A 2 "GLN " "HE21" 1 0 2 1 18.15 566 38 + 567 25 42.199000 9.897000 -19.810000 39 K A 2 "LYS " " N " 7 0 0 1 23.27 567 39 + 568 3 42.503000 10.916000 -20.821000 39 K A 2 "LYS " " CA " 6 0 0 1 28.56 568 39 + 569 2 41.472000 10.831000 -21.918000 39 K A 2 "LYS " " C " 6 0 0 1 30.02 569 39 + 570 15 40.882000 9.756000 -22.129000 39 K A 2 "LYS " " O " 8 0 0 1 28.19 570 39 + 571 3 43.840000 10.690000 -21.509000 39 K A 2 "LYS " " CB " 6 0 0 1 31.26 571 39 + 572 3 45.078000 10.698000 -20.659000 39 K A 2 "LYS " " CG " 6 0 0 1 34.02 572 39 + 573 3 45.328000 12.135000 -20.276000 39 K A 2 "LYS " " CD " 6 0 0 1 38.36 573 39 + 574 3 46.537000 12.186000 -19.392000 39 K A 2 "LYS " " CE " 6 0 0 1 41.63 574 39 + 575 32 47.777000 12.058000 -20.130000 39 K A 2 "LYS " " NZ " 7 1 0 1 43.61 575 39 + 576 43 42.746000 9.049000 -19.854000 39 K A 2 "LYS " " H " 1 0 0 1 23.27 576 39 + 577 41 42.482000 11.907000 -20.367000 39 K A 2 "LYS " " HA " 1 0 0 1 28.56 577 39 + 578 41 43.955000 11.416000 -22.314000 39 K A 2 "LYS " " HB3" 1 0 0 1 31.26 578 39 + 579 41 43.799000 9.757000 -22.072000 39 K A 2 "LYS " " HB2" 1 0 0 1 31.26 579 39 + 580 41 45.921000 10.327000 -21.242000 39 K A 2 "LYS " " HG3" 1 0 0 1 34.02 580 39 + 581 41 44.904000 10.108000 -19.759000 39 K A 2 "LYS " " HG2" 1 0 0 1 34.02 581 39 + 582 41 44.465000 12.521000 -19.734000 39 K A 2 "LYS " " HD3" 1 0 0 1 38.36 582 39 + 583 41 45.511000 12.724000 -21.175000 39 K A 2 "LYS " " HD2" 1 0 0 1 38.36 583 39 + 584 41 46.475000 11.392000 -18.647000 39 K A 2 "LYS " " HE3" 1 0 0 1 41.63 584 39 + 585 41 46.541000 13.124000 -18.837000 39 K A 2 "LYS " " HE2" 1 0 0 1 41.63 585 39 + 586 44 48.530000 12.472000 -19.599000 39 K A 2 "LYS " " HZ1" 1 0 0 1 43.61 586 39 + 587 44 47.976000 11.081000 -20.289000 39 K A 2 "LYS " " HZ2" 1 0 0 1 43.61 587 39 + 588 44 47.691000 12.532000 -21.018000 39 K A 2 "LYS " " HZ3" 1 0 0 1 43.61 588 39 + 589 25 41.254000 11.949000 -22.612000 40 Q A 2 "GLN " " N " 7 0 0 1 34.74 589 40 + 590 3 40.332000 11.995000 -23.757000 40 Q A 2 "GLN " " CA " 6 0 0 1 42.86 590 40 + 591 2 40.583000 10.827000 -24.715000 40 Q A 2 "GLN " " C " 6 0 0 1 41.15 591 40 + 592 15 41.697000 10.625000 -25.218000 40 Q A 2 "GLN " " O " 8 0 0 1 41.37 592 40 + 593 3 40.486000 13.272000 -24.592000 40 Q A 2 "GLN " " CB " 6 0 0 1 49.17 593 40 + 594 3 39.988000 14.591000 -23.996000 40 Q A 2 "GLN " " CG " 6 0 0 1 58.66 594 40 + 595 2 40.699000 15.818000 -24.574000 40 Q A 2 "GLN " " CD " 6 0 0 1 62.44 595 40 + 596 15 40.508000 16.246000 -25.720000 40 Q A 2 "GLN " " OE1" 8 0 0 1 63.13 596 40 + 597 25 41.609000 16.409000 -23.814000 40 Q A 2 "GLN " " NE2" 7 0 0 1 64.32 597 40 + 598 43 41.730000 12.803000 -22.357000 40 Q A 2 "GLN " " H " 1 0 0 1 34.74 598 40 + 599 41 39.308000 11.936000 -23.388000 40 Q A 2 "GLN " " HA " 1 0 0 1 42.86 599 40 + 600 41 40.018000 13.121000 -25.565000 40 Q A 2 "GLN " " HB3" 1 0 0 1 49.17 600 40 + 601 41 41.530000 13.384000 -24.883000 40 Q A 2 "GLN " " HB2" 1 0 0 1 49.17 601 40 + 602 41 40.120000 14.572000 -22.914000 40 Q A 2 "GLN " " HG3" 1 0 0 1 58.66 602 40 + 603 41 38.915000 14.682000 -24.164000 40 Q A 2 "GLN " " HG2" 1 0 0 1 58.66 603 40 + 604 43 42.102000 17.221000 -24.156000 40 Q A 2 "GLN " "HE22" 1 0 0 1 64.32 604 40 + 605 43 41.810000 16.047000 -22.893000 40 Q A 2 "GLN " "HE21" 1 0 0 1 64.32 605 40 + 606 25 39.529000 10.013000 -24.833000 41 G A 2 "GLY " " N " 7 0 0 1 40.07 606 41 + 607 3 39.497000 8.856000 -25.712000 41 G A 2 "GLY " " CA " 6 0 0 1 37.47 607 41 + 608 2 40.409000 7.699000 -25.299000 41 G A 2 "GLY " " C " 6 0 0 1 37.2 608 41 + 609 15 40.790000 6.912000 -26.171000 41 G A 2 "GLY " " O " 8 0 0 1 38.47 609 41 + 610 43 38.693000 10.187000 -24.293000 41 G A 2 "GLY " " H " 1 0 0 1 40.07 610 41 + 611 41 39.746000 9.167000 -26.726000 41 G A 2 "GLY " " HA3" 1 0 0 1 37.47 611 41 + 612 41 38.472000 8.495000 -25.795000 41 G A 2 "GLY " " HA2" 1 0 0 1 37.47 612 41 + 613 25 40.797000 7.525000 -24.035000 42 K A 2 "LYS " " N " 7 0 0 1 33.21 613 42 + 614 3 41.679000 6.434000 -23.663000 42 K A 2 "LYS " " CA " 6 0 0 1 30.07 614 42 + 615 2 40.976000 5.643000 -22.590000 42 K A 2 "LYS " " C " 6 0 0 1 25.13 615 42 + 616 15 39.945000 6.077000 -22.060000 42 K A 2 "LYS " " O " 8 0 0 1 21.88 616 42 + 617 3 43.006000 6.944000 -23.089000 42 K A 2 "LYS " " CB " 6 0 0 1 32.92 617 42 + 618 3 43.806000 7.902000 -23.963000 42 K A 2 "LYS " " CG " 6 0 0 1 37.78 618 42 + 619 3 44.140000 7.250000 -25.286000 42 K A 2 "LYS " " CD " 6 0 0 1 42.17 619 42 + 620 3 44.930000 8.213000 -26.144000 42 K A 2 "LYS " " CE " 6 0 0 1 45.98 620 42 + 621 32 45.584000 7.458000 -27.200000 42 K A 2 "LYS " " NZ " 7 1 0 1 48.93 621 42 + 622 43 40.477000 8.159000 -23.317000 42 K A 2 "LYS " " H " 1 0 0 1 33.21 622 42 + 623 41 41.869000 5.799000 -24.528000 42 K A 2 "LYS " " HA " 1 0 0 1 30.07 623 42 + 624 41 43.633000 6.093000 -22.823000 42 K A 2 "LYS " " HB3" 1 0 0 1 32.92 624 42 + 625 41 42.823000 7.410000 -22.121000 42 K A 2 "LYS " " HB2" 1 0 0 1 32.92 625 42 + 626 41 44.728000 8.177000 -23.451000 42 K A 2 "LYS " " HG3" 1 0 0 1 37.78 626 42 + 627 41 43.222000 8.805000 -24.141000 42 K A 2 "LYS " " HG2" 1 0 0 1 37.78 627 42 + 628 41 43.218000 6.978000 -25.800000 42 K A 2 "LYS " " HD3" 1 0 0 1 42.17 628 42 + 629 41 44.732000 6.352000 -25.109000 42 K A 2 "LYS " " HD2" 1 0 0 1 42.17 629 42 + 630 41 45.684000 8.710000 -25.533000 42 K A 2 "LYS " " HE3" 1 0 0 1 45.98 630 42 + 631 41 44.253000 8.944000 -26.586000 42 K A 2 "LYS " " HE2" 1 0 0 1 45.98 631 42 + 632 44 44.965000 6.730000 -27.527000 42 K A 2 "LYS " " HZ1" 1 0 0 1 48.93 632 42 + 633 44 45.810000 8.076000 -27.966000 42 K A 2 "LYS " " HZ2" 1 0 0 1 48.93 633 42 + 634 44 46.432000 7.042000 -26.842000 42 K A 2 "LYS " " HZ3" 1 0 0 1 48.93 634 42 + 635 25 41.541000 4.477000 -22.268000 43 S A 2 "SER " " N " 7 0 0 1 23.91 635 43 + 636 3 41.073000 3.632000 -21.164000 43 S A 2 "SER " " CA " 6 0 0 1 21.48 636 43 + 637 2 41.422000 4.311000 -19.840000 43 S A 2 "SER " " C " 6 0 0 1 19.2 637 43 + 638 15 42.410000 5.061000 -19.757000 43 S A 2 "SER " " O " 8 0 0 1 16.98 638 43 + 639 3 41.755000 2.263000 -21.179000 43 S A 2 "SER " " CB " 6 0 0 1 20 639 43 + 640 16 41.567000 1.654000 -22.435000 43 S A 2 "SER " " OG " 8 0 0 1 24.38 640 43 + 641 43 42.332000 4.137000 -22.795000 43 S A 2 "SER " " H " 1 0 0 1 23.91 641 43 + 642 41 39.993000 3.503000 -21.235000 43 S A 2 "SER " " HA " 1 0 0 1 21.48 642 43 + 643 41 41.322000 1.633000 -20.402000 43 S A 2 "SER " " HB3" 1 0 0 1 20 643 43 + 644 41 42.822000 2.387000 -20.991000 43 S A 2 "SER " " HB2" 1 0 0 1 20 644 43 + 645 42 41.276000 0.748000 -22.311000 43 S A 2 "SER " " HG " 1 0 0 1 24.38 645 43 + 646 25 40.660000 4.066000 -18.763000 44 P A 2 "PRO " " N " 7 0 0 1 16.63 646 44 + 647 3 41.038000 4.472000 -17.435000 44 P A 2 "PRO " " CA " 6 0 0 1 15.48 647 44 + 648 2 42.398000 3.854000 -17.102000 44 P A 2 "PRO " " C " 6 0 0 1 16.49 648 44 + 649 15 42.766000 2.787000 -17.618000 44 P A 2 "PRO " " O " 8 0 0 1 16.52 649 44 + 650 3 39.893000 3.984000 -16.552000 44 P A 2 "PRO " " CB " 6 0 0 1 15.25 650 44 + 651 3 38.722000 3.988000 -17.492000 44 P A 2 "PRO " " CG " 6 0 0 1 18.29 651 44 + 652 3 39.356000 3.412000 -18.765000 44 P A 2 "PRO " " CD " 6 0 0 1 15.3 652 44 + 653 41 41.104000 5.559000 -17.386000 44 P A 2 "PRO " " HA " 1 0 0 1 15.48 653 44 + 654 41 39.718000 4.709000 -15.757000 44 P A 2 "PRO " " HB3" 1 0 0 1 15.25 654 44 + 655 41 40.095000 2.961000 -16.234000 44 P A 2 "PRO " " HB2" 1 0 0 1 15.25 655 44 + 656 41 38.417000 5.018000 -17.679000 44 P A 2 "PRO " " HG3" 1 0 0 1 18.29 656 44 + 657 41 37.966000 3.295000 -17.124000 44 P A 2 "PRO " " HG2" 1 0 0 1 18.29 657 44 + 658 41 39.494000 2.338000 -18.641000 44 P A 2 "PRO " " HD2" 1 0 0 1 15.3 658 44 + 659 41 38.788000 3.749000 -19.632000 44 P A 2 "PRO " " HD3" 1 0 0 1 15.3 659 44 + 660 25 43.172000 4.547000 -16.282000 45 Q A 2 "GLN " " N " 7 0 0 1 14.56 660 45 + 661 3 44.462000 4.071000 -15.865000 45 Q A 2 "GLN " " CA " 6 0 0 1 19.84 661 45 + 662 2 44.526000 4.195000 -14.343000 45 Q A 2 "GLN " " C " 6 0 0 1 17.02 662 45 + 663 15 44.213000 5.262000 -13.779000 45 Q A 2 "GLN " " O " 8 0 0 1 15.74 663 45 + 664 3 45.510000 4.941000 -16.519000 45 Q A 2 "GLN " " CB " 6 0 0 1 24.97 664 45 + 665 3 46.903000 4.486000 -16.236000 45 Q A 2 "GLN " " CG " 6 0 0 1 36.97 665 45 + 666 2 47.870000 5.658000 -16.274000 45 Q A 2 "GLN " " CD " 6 0 0 1 44.8 666 45 + 667 15 48.189000 6.193000 -17.345000 45 Q A 2 "GLN " " OE1" 8 0 0 1 47.37 667 45 + 668 25 48.338000 6.103000 -15.102000 45 Q A 2 "GLN " " NE2" 7 0 0 1 47.18 668 45 + 669 43 42.861000 5.441000 -15.929000 45 Q A 2 "GLN " " H " 1 0 0 1 14.56 669 45 + 670 41 44.595000 3.031000 -16.164000 45 Q A 2 "GLN " " HA " 1 0 0 1 19.84 670 45 + 671 41 45.389000 5.970000 -16.180000 45 Q A 2 "GLN " " HB3" 1 0 0 1 24.97 671 45 + 672 41 45.346000 4.957000 -17.597000 45 Q A 2 "GLN " " HB2" 1 0 0 1 24.97 672 45 + 673 41 47.201000 3.746000 -16.978000 45 Q A 2 "GLN " " HG3" 1 0 0 1 36.97 673 45 + 674 41 46.939000 4.017000 -15.252000 45 Q A 2 "GLN " " HG2" 1 0 0 1 36.97 674 45 + 675 43 48.983000 6.880000 -15.078000 45 Q A 2 "GLN " "HE22" 1 0 0 1 47.18 675 45 + 676 43 48.046000 5.662000 -14.241000 45 Q A 2 "GLN " "HE21" 1 0 0 1 47.18 676 45 + 677 25 44.922000 3.120000 -13.667000 46 L A 2 "LEU " " N " 7 0 2 1 13.41 677 46 + 678 3 45.080000 3.146000 -12.237000 46 L A 2 "LEU " " CA " 6 0 2 1 14.36 678 46 + 679 2 46.141000 4.136000 -11.774000 46 L A 2 "LEU " " C " 6 0 2 1 15.94 679 46 + 680 15 47.288000 4.147000 -12.246000 46 L A 2 "LEU " " O " 8 0 2 1 13.52 680 46 + 681 3 45.450000 1.738000 -11.722000 46 L A 2 "LEU " " CB " 6 0 2 1 16.88 681 46 + 682 3 45.633000 1.562000 -10.211000 46 L A 2 "LEU " " CG " 6 0 2 1 16.84 682 46 + 683 3 44.303000 1.758000 -9.495000 46 L A 2 "LEU " " CD1" 6 0 2 1 13.36 683 46 + 684 3 46.184000 0.177000 -9.941000 46 L A 2 "LEU " " CD2" 6 0 2 1 17.28 684 46 + 685 43 45.119000 2.259000 -14.157000 46 L A 2 "LEU " " H " 1 0 2 1 13.41 685 46 + 686 41 44.127000 3.433000 -11.793000 46 L A 2 "LEU " " HA " 1 0 2 1 14.36 686 46 + 687 41 46.349000 1.395000 -12.234000 46 L A 2 "LEU " " HB3" 1 0 2 1 16.88 687 46 + 688 41 44.711000 1.021000 -12.079000 46 L A 2 "LEU " " HB2" 1 0 2 1 16.88 688 46 + 689 41 46.344000 2.305000 -9.850000 46 L A 2 "LEU " " HG " 1 0 2 1 16.84 689 46 + 690 41 44.445000 1.631000 -8.422000 46 L A 2 "LEU " "HD11" 1 0 2 1 13.36 690 46 + 691 41 43.927000 2.761000 -9.695000 46 L A 2 "LEU " "HD12" 1 0 2 1 13.36 691 46 + 692 41 43.584000 1.023000 -9.856000 46 L A 2 "LEU " "HD13" 1 0 2 1 13.36 692 46 + 693 41 46.318000 0.042000 -8.868000 46 L A 2 "LEU " "HD21" 1 0 2 1 17.28 693 46 + 694 41 45.487000 -0.572000 -10.317000 46 L A 2 "LEU " "HD22" 1 0 2 1 17.28 694 46 + 695 41 47.144000 0.063000 -10.444000 46 L A 2 "LEU " "HD23" 1 0 2 1 17.28 695 46 + 696 25 45.739000 5.015000 -10.858000 47 L A 2 "LEU " " N " 7 0 2 1 13.43 696 47 + 697 3 46.668000 5.905000 -10.194000 47 L A 2 "LEU " " CA " 6 0 2 1 14.98 697 47 + 698 2 47.054000 5.522000 -8.750000 47 L A 2 "LEU " " C " 6 0 2 1 15.38 698 47 + 699 15 48.250000 5.454000 -8.412000 47 L A 2 "LEU " " O " 8 0 2 1 16.89 699 47 + 700 3 46.096000 7.312000 -10.154000 47 L A 2 "LEU " " CB " 6 0 2 1 14.28 700 47 + 701 3 45.757000 8.053000 -11.423000 47 L A 2 "LEU " " CG " 6 0 2 1 19.14 701 47 + 702 3 45.388000 9.467000 -11.011000 47 L A 2 "LEU " " CD1" 6 0 2 1 21.12 702 47 + 703 3 46.920000 8.148000 -12.365000 47 L A 2 "LEU " " CD2" 6 0 2 1 16.52 703 47 + 704 43 44.762000 5.074000 -10.609000 47 L A 2 "LEU " " H " 1 0 2 1 13.43 704 47 + 705 41 47.582000 5.934000 -10.786000 47 L A 2 "LEU " " HA " 1 0 2 1 14.98 705 47 + 706 41 46.746000 7.939000 -9.544000 47 L A 2 "LEU " " HB3" 1 0 2 1 14.28 706 47 + 707 41 45.225000 7.319000 -9.499000 47 L A 2 "LEU " " HB2" 1 0 2 1 14.28 707 47 + 708 41 44.912000 7.576000 -11.920000 47 L A 2 "LEU " " HG " 1 0 2 1 19.14 708 47 + 709 41 45.133000 10.049000 -11.896000 47 L A 2 "LEU " "HD11" 1 0 2 1 21.12 709 47 + 710 41 44.532000 9.438000 -10.337000 47 L A 2 "LEU " "HD12" 1 0 2 1 21.12 710 47 + 711 41 46.234000 9.931000 -10.504000 47 L A 2 "LEU " "HD13" 1 0 2 1 21.12 711 47 + 712 41 46.619000 8.691000 -13.261000 47 L A 2 "LEU " "HD21" 1 0 2 1 16.52 712 47 + 713 41 47.740000 8.677000 -11.879000 47 L A 2 "LEU " "HD22" 1 0 2 1 16.52 713 47 + 714 41 47.247000 7.146000 -12.641000 47 L A 2 "LEU " "HD23" 1 0 2 1 16.52 714 47 + 715 25 46.037000 5.261000 -7.907000 48 V A 2 "VAL " " N " 7 0 2 1 13.04 715 48 + 716 3 46.187000 5.084000 -6.466000 48 V A 2 "VAL " " CA " 6 0 2 1 15.22 716 48 + 717 2 45.303000 3.922000 -6.064000 48 V A 2 "VAL " " C " 6 0 2 1 11.7 717 48 + 718 15 44.176000 3.857000 -6.554000 48 V A 2 "VAL " " O " 8 0 2 1 12.69 718 48 + 719 3 45.711000 6.369000 -5.642000 48 V A 2 "VAL " " CB " 6 0 2 1 15.2 719 48 + 720 3 45.861000 6.129000 -4.151000 48 V A 2 "VAL " " CG1" 6 0 2 1 13.9 720 48 + 721 3 46.532000 7.598000 -6.009000 48 V A 2 "VAL " " CG2" 6 0 2 1 15.53 721 48 + 722 43 45.096000 5.176000 -8.263000 48 V A 2 "VAL " " H " 1 0 2 1 13.04 722 48 + 723 41 47.226000 4.857000 -6.228000 48 V A 2 "VAL " " HA " 1 0 2 1 15.22 723 48 + 724 41 44.662000 6.564000 -5.865000 48 V A 2 "VAL " " HB " 1 0 2 1 15.2 724 48 + 725 41 45.533000 7.014000 -3.605000 48 V A 2 "VAL " "HG11" 1 0 2 1 13.9 725 48 + 726 41 45.252000 5.274000 -3.857000 48 V A 2 "VAL " "HG12" 1 0 2 1 13.9 726 48 + 727 41 46.906000 5.927000 -3.918000 48 V A 2 "VAL " "HG13" 1 0 2 1 13.9 727 48 + 728 41 46.183000 8.454000 -5.432000 48 V A 2 "VAL " "HG21" 1 0 2 1 15.53 728 48 + 729 41 47.583000 7.413000 -5.786000 48 V A 2 "VAL " "HG22" 1 0 2 1 15.53 729 48 + 730 41 46.418000 7.807000 -7.073000 48 V A 2 "VAL " "HG23" 1 0 2 1 15.53 730 48 + 731 25 45.763000 3.030000 -5.205000 49 Y A 2 "TYR " " N " 7 0 2 1 14.5 731 49 + 732 3 44.909000 1.972000 -4.669000 49 Y A 2 "TYR " " CA " 6 0 2 1 13.53 732 49 + 733 2 45.096000 1.958000 -3.146000 49 Y A 2 "TYR " " C " 6 0 2 1 14.26 733 49 + 734 15 46.075000 2.554000 -2.632000 49 Y A 2 "TYR " " O " 8 0 2 1 13.06 734 49 + 735 3 45.284000 0.615000 -5.291000 49 Y A 2 "TYR " " CB " 6 0 2 1 12.84 735 49 + 736 2 46.704000 0.108000 -5.065000 49 Y A 2 "TYR " " CG " 6 0 2 1 16.1 736 49 + 737 2 47.725000 0.416000 -5.959000 49 Y A 2 "TYR " " CD1" 6 0 2 1 16.12 737 49 + 738 2 46.954000 -0.690000 -3.964000 49 Y A 2 "TYR " " CD2" 6 0 2 1 16.09 738 49 + 739 2 48.993000 -0.097000 -5.745000 49 Y A 2 "TYR " " CE1" 6 0 2 1 18.32 739 49 + 740 2 48.215000 -1.188000 -3.746000 49 Y A 2 "TYR " " CE2" 6 0 2 1 19.07 740 49 + 741 2 49.223000 -0.893000 -4.638000 49 Y A 2 "TYR " " CZ " 6 0 2 1 21.31 741 49 + 742 16 50.483000 -1.399000 -4.366000 49 Y A 2 "TYR " " OH " 8 0 2 1 24.31 742 49 + 743 43 46.726000 3.069000 -4.903000 49 Y A 2 "TYR " " H " 1 0 2 1 14.5 743 49 + 744 41 43.868000 2.198000 -4.901000 49 Y A 2 "TYR " " HA " 1 0 2 1 13.53 744 49 + 745 41 45.080000 0.643000 -6.361000 49 Y A 2 "TYR " " HB3" 1 0 2 1 12.84 745 49 + 746 41 44.576000 -0.142000 -4.953000 49 Y A 2 "TYR " " HB2" 1 0 2 1 12.84 746 49 + 747 41 47.525000 1.050000 -6.810000 49 Y A 2 "TYR " " HD1" 1 0 2 1 16.12 747 49 + 748 41 46.157000 -0.923000 -3.274000 49 Y A 2 "TYR " " HD2" 1 0 2 1 16.09 748 49 + 749 41 49.790000 0.126000 -6.439000 49 Y A 2 "TYR " " HE1" 1 0 2 1 18.32 749 49 + 750 41 48.410000 -1.805000 -2.881000 49 Y A 2 "TYR " " HE2" 1 0 2 1 19.07 750 49 + 751 42 51.136000 -0.933000 -4.894000 49 Y A 2 "TYR " " HH " 1 0 2 1 24.31 751 49 + 752 25 44.184000 1.281000 -2.421000 50 Y A 2 "TYR " " N " 7 0 0 1 11.75 752 50 + 753 3 44.110000 1.219000 -0.969000 50 Y A 2 "TYR " " CA " 6 0 0 1 12.12 753 50 + 754 2 44.398000 2.576000 -0.326000 50 Y A 2 "TYR " " C " 6 0 0 1 11.46 754 50 + 755 15 45.288000 2.754000 0.521000 50 Y A 2 "TYR " " O " 8 0 0 1 14.44 755 50 + 756 3 45.089000 0.171000 -0.428000 50 Y A 2 "TYR " " CB " 6 0 0 1 13.9 756 50 + 757 2 44.695000 -0.322000 0.961000 50 Y A 2 "TYR " " CG " 6 0 0 1 13.86 757 50 + 758 2 43.463000 -0.922000 1.148000 50 Y A 2 "TYR " " CD1" 6 0 0 1 16.04 758 50 + 759 2 45.540000 -0.119000 2.030000 50 Y A 2 "TYR " " CD2" 6 0 0 1 13.55 759 50 + 760 2 43.061000 -1.316000 2.413000 50 Y A 2 "TYR " " CE1" 6 0 0 1 15.76 760 50 + 761 2 45.153000 -0.510000 3.299000 50 Y A 2 "TYR " " CE2" 6 0 0 1 18.2 761 50 + 762 2 43.918000 -1.100000 3.477000 50 Y A 2 "TYR " " CZ " 6 0 0 1 18.35 762 50 + 763 16 43.540000 -1.464000 4.751000 50 Y A 2 "TYR " " OH " 8 0 0 1 20.02 763 50 + 764 43 43.462000 0.750000 -2.887000 50 Y A 2 "TYR " " H " 1 0 0 1 11.75 764 50 + 765 41 43.100000 0.918000 -0.692000 50 Y A 2 "TYR " " HA " 1 0 0 1 12.12 765 50 + 766 41 46.092000 0.597000 -0.391000 50 Y A 2 "TYR " " HB3" 1 0 0 1 13.9 766 50 + 767 41 45.131000 -0.675000 -1.114000 50 Y A 2 "TYR " " HB2" 1 0 0 1 13.9 767 50 + 768 41 42.808000 -1.086000 0.305000 50 Y A 2 "TYR " " HD1" 1 0 0 1 16.04 768 50 + 769 41 46.503000 0.345000 1.877000 50 Y A 2 "TYR " " HD2" 1 0 0 1 13.55 769 50 + 770 41 42.096000 -1.781000 2.553000 50 Y A 2 "TYR " " HE1" 1 0 0 1 15.76 770 50 + 771 41 45.815000 -0.353000 4.138000 50 Y A 2 "TYR " " HE2" 1 0 0 1 18.2 771 50 + 772 42 44.319000 -1.697000 5.262000 50 Y A 2 "TYR " " HH " 1 0 0 1 20.02 772 50 + 773 25 43.634000 3.551000 -0.810000 51 T A 2 "THR " " N " 7 0 0 1 11.83 773 51 + 774 3 43.632000 4.957000 -0.398000 51 T A 2 "THR " " CA " 6 0 0 1 14.38 774 51 + 775 2 44.899000 5.791000 -0.672000 51 T A 2 "THR " " C " 6 0 0 1 13.46 775 51 + 776 15 44.758000 6.922000 -1.138000 51 T A 2 "THR " " O " 8 0 0 1 14.48 776 51 + 777 3 43.291000 5.077000 1.150000 51 T A 2 "THR " " CB " 6 0 0 1 15.04 777 51 + 778 16 42.053000 4.401000 1.395000 51 T A 2 "THR " " OG1" 8 0 0 1 15.78 778 51 + 779 3 43.115000 6.520000 1.590000 51 T A 2 "THR " " CG2" 6 0 0 1 9.97 779 51 + 780 43 42.967000 3.353000 -1.542000 51 T A 2 "THR " " H " 1 0 0 1 11.83 780 51 + 781 41 42.817000 5.440000 -0.937000 51 T A 2 "THR " " HA " 1 0 0 1 14.38 781 51 + 782 41 44.083000 4.611000 1.736000 51 T A 2 "THR " " HB " 1 0 0 1 15.04 782 51 + 783 42 42.138000 3.477000 1.148000 51 T A 2 "THR " " HG1" 1 0 0 1 15.78 783 51 + 784 41 42.883000 6.550000 2.655000 51 T A 2 "THR " "HG21" 1 0 0 1 9.97 784 51 + 785 41 44.036000 7.072000 1.403000 51 T A 2 "THR " "HG22" 1 0 0 1 9.97 785 51 + 786 41 42.299000 6.975000 1.028000 51 T A 2 "THR " "HG23" 1 0 0 1 9.97 786 51 + 787 25 46.116000 5.288000 -0.505000 52 T A 2 "THR " " N " 7 0 0 1 13.99 787 52 + 788 3 47.317000 6.079000 -0.485000 52 T A 2 "THR " " CA " 6 0 0 1 14.93 788 52 + 789 2 48.429000 5.539000 -1.377000 52 T A 2 "THR " " C " 6 0 0 1 18.36 789 52 + 790 15 49.440000 6.227000 -1.599000 52 T A 2 "THR " " O " 8 0 0 1 18.54 790 52 + 791 3 47.878000 6.171000 0.995000 52 T A 2 "THR " " CB " 6 0 0 1 18.78 791 52 + 792 16 48.136000 4.817000 1.405000 52 T A 2 "THR " " OG1" 8 0 0 1 22.45 792 52 + 793 3 46.936000 6.811000 2.020000 52 T A 2 "THR " " CG2" 6 0 0 1 14.49 793 52 + 794 43 46.239000 4.293000 -0.382000 52 T A 2 "THR " " H " 1 0 0 1 13.99 794 52 + 795 41 47.069000 7.086000 -0.820000 52 T A 2 "THR " " HA " 1 0 0 1 14.93 795 52 + 796 41 48.818000 6.723000 0.984000 52 T A 2 "THR " " HB " 1 0 0 1 18.78 796 52 + 797 42 48.780000 4.420000 0.814000 52 T A 2 "THR " " HG1" 1 0 0 1 22.45 797 52 + 798 41 47.417000 6.824000 2.998000 52 T A 2 "THR " "HG21" 1 0 0 1 14.49 798 52 + 799 41 46.706000 7.832000 1.715000 52 T A 2 "THR " "HG22" 1 0 0 1 14.49 799 52 + 800 41 46.014000 6.233000 2.077000 52 T A 2 "THR " "HG23" 1 0 0 1 14.49 800 52 + 801 25 48.340000 4.300000 -1.859000 53 T A 2 "THR " " N " 7 0 2 1 17.51 801 53 + 802 3 49.488000 3.702000 -2.517000 53 T A 2 "THR " " CA " 6 0 2 1 21.41 802 53 + 803 2 49.481000 4.003000 -4.003000 53 T A 2 "THR " " C " 6 0 2 1 20.48 803 53 + 804 15 48.522000 3.700000 -4.729000 53 T A 2 "THR " " O " 8 0 2 1 20.33 804 53 + 805 3 49.489000 2.181000 -2.285000 53 T A 2 "THR " " CB " 6 0 2 1 21.12 805 53 + 806 16 49.285000 1.943000 -0.898000 53 T A 2 "THR " " OG1" 8 0 2 1 24.75 806 53 + 807 3 50.810000 1.564000 -2.701000 53 T A 2 "THR " " CG2" 6 0 2 1 22.51 807 53 + 808 43 47.478000 3.783000 -1.766000 53 T A 2 "THR " " H " 1 0 2 1 17.51 808 53 + 809 41 50.395000 4.121000 -2.082000 53 T A 2 "THR " " HA " 1 0 2 1 21.41 809 53 + 810 41 48.679000 1.726000 -2.855000 53 T A 2 "THR " " HB " 1 0 2 1 21.12 810 53 + 811 42 49.257000 0.997000 -0.736000 53 T A 2 "THR " " HG1" 1 0 2 1 24.75 811 53 + 812 41 50.781000 0.489000 -2.525000 53 T A 2 "THR " "HG21" 1 0 2 1 22.51 812 53 + 813 41 50.983000 1.754000 -3.760000 53 T A 2 "THR " "HG22" 1 0 2 1 22.51 813 53 + 814 41 51.618000 2.005000 -2.117000 53 T A 2 "THR " "HG23" 1 0 2 1 22.51 814 53 + 815 25 50.565000 4.641000 -4.426000 54 L A 2 "LEU " " N " 7 0 2 1 20.21 815 54 + 816 3 50.749000 4.961000 -5.828000 54 L A 2 "LEU " " CA " 6 0 2 1 18.78 816 54 + 817 2 51.016000 3.720000 -6.649000 54 L A 2 "LEU " " C " 6 0 2 1 18.12 817 54 + 818 15 51.720000 2.783000 -6.237000 54 L A 2 "LEU " " O " 8 0 2 1 17.1 818 54 + 819 3 51.899000 5.926000 -5.966000 54 L A 2 "LEU " " CB " 6 0 2 1 20.24 819 54 + 820 3 51.594000 7.413000 -6.064000 54 L A 2 "LEU " " CG " 6 0 2 1 22.05 820 54 + 821 3 50.676000 7.896000 -4.967000 54 L A 2 "LEU " " CD1" 6 0 2 1 25.64 821 54 + 822 3 52.901000 8.132000 -5.943000 54 L A 2 "LEU " " CD2" 6 0 2 1 23.33 822 54 + 823 43 51.280000 4.913000 -3.767000 54 L A 2 "LEU " " H " 1 0 2 1 20.21 823 54 + 824 41 49.843000 5.440000 -6.200000 54 L A 2 "LEU " " HA " 1 0 2 1 18.78 824 54 + 825 41 52.511000 5.631000 -6.818000 54 L A 2 "LEU " " HB3" 1 0 2 1 20.24 825 54 + 826 41 52.603000 5.760000 -5.151000 54 L A 2 "LEU " " HB2" 1 0 2 1 20.24 826 54 + 827 41 51.147000 7.630000 -7.034000 54 L A 2 "LEU " " HG " 1 0 2 1 22.05 827 54 + 828 41 50.494000 8.964000 -5.089000 54 L A 2 "LEU " "HD11" 1 0 2 1 25.64 828 54 + 829 41 49.729000 7.358000 -5.022000 54 L A 2 "LEU " "HD12" 1 0 2 1 25.64 829 54 + 830 41 51.141000 7.715000 -3.998000 54 L A 2 "LEU " "HD13" 1 0 2 1 25.64 830 54 + 831 41 52.732000 9.207000 -6.008000 54 L A 2 "LEU " "HD21" 1 0 2 1 23.33 831 54 + 832 41 53.360000 7.894000 -4.983000 54 L A 2 "LEU " "HD22" 1 0 2 1 23.33 832 54 + 833 41 53.564000 7.820000 -6.750000 54 L A 2 "LEU " "HD23" 1 0 2 1 23.33 833 54 + 834 25 50.381000 3.676000 -7.800000 55 A A 2 "ALA " " N " 7 0 0 1 21.22 834 55 + 835 3 50.622000 2.569000 -8.705000 55 A A 2 "ALA " " CA " 6 0 0 1 25.35 835 55 + 836 2 52.008000 2.774000 -9.322000 55 A A 2 "ALA " " C " 6 0 0 1 26.38 836 55 + 837 15 52.571000 3.879000 -9.324000 55 A A 2 "ALA " " O " 8 0 0 1 23.35 837 55 + 838 3 49.598000 2.561000 -9.824000 55 A A 2 "ALA " " CB " 6 0 0 1 24.22 838 55 + 839 43 49.732000 4.409000 -8.047000 55 A A 2 "ALA " " H " 1 0 0 1 21.22 839 55 + 840 41 50.590000 1.625000 -8.160000 55 A A 2 "ALA " " HA " 1 0 0 1 25.35 840 55 + 841 41 49.796000 1.723000 -10.492000 55 A A 2 "ALA " " HB1" 1 0 0 1 24.22 841 55 + 842 41 48.598000 2.460000 -9.402000 55 A A 2 "ALA " " HB2" 1 0 0 1 24.22 842 55 + 843 41 49.663000 3.494000 -10.383000 55 A A 2 "ALA " " HB3" 1 0 0 1 24.22 843 55 + 844 25 52.596000 1.709000 -9.855000 56 D A 2 "ASP " " N " 7 0 0 1 31.28 844 56 + 845 3 53.896000 1.798000 -10.495000 56 D A 2 "ASP " " CA " 6 0 0 1 34.34 845 56 + 846 2 53.881000 2.765000 -11.649000 56 D A 2 "ASP " " C " 6 0 0 1 32.17 846 56 + 847 15 52.988000 2.783000 -12.497000 56 D A 2 "ASP " " O " 8 0 0 1 32.66 847 56 + 848 3 54.354000 0.462000 -11.047000 56 D A 2 "ASP " " CB " 6 0 0 1 40.31 848 56 + 849 2 54.509000 -0.610000 -9.987000 56 D A 2 "ASP " " CG " 6 0 0 1 44.53 849 56 + 850 15 55.154000 -0.370000 -8.962000 56 D A 2 "ASP " " OD1" 8 0 0 1 45.66 850 56 + 851 18 53.957000 -1.689000 -10.206000 56 D A 2 "ASP " " OD2" 8 -1 0 1 50.2 851 56 + 852 43 52.138000 0.809000 -9.821000 56 D A 2 "ASP " " H " 1 0 0 1 31.28 852 56 + 853 41 54.625000 2.141000 -9.761000 56 D A 2 "ASP " " HA " 1 0 0 1 34.34 853 56 + 854 41 55.301000 0.592000 -11.571000 56 D A 2 "ASP " " HB3" 1 0 0 1 40.31 854 56 + 855 41 53.648000 0.122000 -11.804000 56 D A 2 "ASP " " HB2" 1 0 0 1 40.31 855 56 + 856 25 54.841000 3.664000 -11.546000 57 G A 2 "GLY " " N " 7 0 0 1 33.01 856 57 + 857 3 55.022000 4.636000 -12.594000 57 G A 2 "GLY " " CA " 6 0 0 1 32.92 857 57 + 858 2 54.224000 5.897000 -12.358000 57 G A 2 "GLY " " C " 6 0 0 1 31.87 858 57 + 859 15 54.456000 6.832000 -13.118000 57 G A 2 "GLY " " O " 8 0 0 1 36.41 859 57 + 860 43 55.444000 3.668000 -10.736000 57 G A 2 "GLY " " H " 1 0 0 1 33.01 860 57 + 861 41 54.732000 4.197000 -13.549000 57 G A 2 "GLY " " HA3" 1 0 0 1 32.92 861 57 + 862 41 56.080000 4.887000 -12.677000 57 G A 2 "GLY " " HA2" 1 0 0 1 32.92 862 57 + 863 25 53.322000 6.024000 -11.373000 58 V A 2 "VAL " " N " 7 0 0 1 29.73 863 58 + 864 3 52.590000 7.277000 -11.191000 58 V A 2 "VAL " " CA " 6 0 0 1 26.19 864 58 + 865 2 53.529000 8.268000 -10.503000 58 V A 2 "VAL " " C " 6 0 0 1 26.2 865 58 + 866 15 54.196000 7.909000 -9.527000 58 V A 2 "VAL " " O " 8 0 0 1 28.24 866 58 + 867 3 51.322000 7.027000 -10.341000 58 V A 2 "VAL " " CB " 6 0 0 1 24.21 867 58 + 868 3 50.587000 8.323000 -10.026000 58 V A 2 "VAL " " CG1" 6 0 0 1 21.05 868 58 + 869 3 50.441000 6.071000 -11.110000 58 V A 2 "VAL " " CG2" 6 0 0 1 22.34 869 58 + 870 43 53.143000 5.250000 -10.749000 58 V A 2 "VAL " " H " 1 0 0 1 29.73 870 58 + 871 41 52.300000 7.671000 -12.165000 58 V A 2 "VAL " " HA " 1 0 0 1 26.19 871 58 + 872 41 51.616000 6.555000 -9.404000 58 V A 2 "VAL " " HB " 1 0 0 1 24.21 872 58 + 873 41 49.703000 8.104000 -9.428000 58 V A 2 "VAL " "HG11" 1 0 0 1 21.05 873 58 + 874 41 51.246000 8.989000 -9.469000 58 V A 2 "VAL " "HG12" 1 0 0 1 21.05 874 58 + 875 41 50.285000 8.805000 -10.956000 58 V A 2 "VAL " "HG13" 1 0 0 1 21.05 875 58 + 876 41 49.535000 5.872000 -10.538000 58 V A 2 "VAL " "HG21" 1 0 0 1 22.34 876 58 + 877 41 50.175000 6.514000 -12.070000 58 V A 2 "VAL " "HG22" 1 0 0 1 22.34 877 58 + 878 41 50.977000 5.137000 -11.278000 58 V A 2 "VAL " "HG23" 1 0 0 1 22.34 878 58 + 879 25 53.691000 9.511000 -10.969000 59 P A 2 "PRO " " N " 7 0 0 1 26.41 879 59 + 880 3 54.537000 10.507000 -10.317000 59 P A 2 "PRO " " CA " 6 0 0 1 25.68 880 59 + 881 2 54.057000 10.883000 -8.929000 59 P A 2 "PRO " " C " 6 0 0 1 25.48 881 59 + 882 15 52.854000 10.972000 -8.664000 59 P A 2 "PRO " " O " 8 0 0 1 25.36 882 59 + 883 3 54.543000 11.657000 -11.295000 59 P A 2 "PRO " " CB " 6 0 0 1 27.13 883 59 + 884 3 53.234000 11.513000 -12.036000 59 P A 2 "PRO " " CG " 6 0 0 1 26.04 884 59 + 885 3 53.135000 10.006000 -12.223000 59 P A 2 "PRO " " CD " 6 0 0 1 26.42 885 59 + 886 41 55.549000 10.109000 -10.240000 59 P A 2 "PRO " " HA " 1 0 0 1 25.68 886 59 + 887 41 55.369000 11.531000 -11.995000 59 P A 2 "PRO " " HB3" 1 0 0 1 27.13 887 59 + 888 41 54.544000 12.598000 -10.745000 59 P A 2 "PRO " " HB2" 1 0 0 1 27.13 888 59 + 889 41 53.320000 11.991000 -13.012000 59 P A 2 "PRO " " HG3" 1 0 0 1 26.04 889 59 + 890 41 52.420000 11.849000 -11.394000 59 P A 2 "PRO " " HG2" 1 0 0 1 26.04 890 59 + 891 41 52.085000 9.721000 -12.286000 59 P A 2 "PRO " " HD2" 1 0 0 1 26.42 891 59 + 892 41 53.783000 9.704000 -13.046000 59 P A 2 "PRO " " HD3" 1 0 0 1 26.42 892 59 + 893 25 55.000000 11.252000 -8.078000 60 S A 2 "SER " " N " 7 0 0 1 25.05 893 60 + 894 3 54.732000 11.524000 -6.683000 60 S A 2 "SER " " CA " 6 0 0 1 29.16 894 60 + 895 2 53.931000 12.776000 -6.429000 60 S A 2 "SER " " C " 6 0 0 1 28.02 895 60 + 896 15 53.564000 13.050000 -5.283000 60 S A 2 "SER " " O " 8 0 0 1 29.44 896 60 + 897 3 56.033000 11.634000 -5.935000 60 S A 2 "SER " " CB " 6 0 0 1 32 897 60 + 898 16 56.889000 12.562000 -6.605000 60 S A 2 "SER " " OG " 8 0 0 1 38.54 898 60 + 899 43 55.954000 11.354000 -8.394000 60 S A 2 "SER " " H " 1 0 0 1 25.05 899 60 + 900 41 54.178000 10.679000 -6.274000 60 S A 2 "SER " " HA " 1 0 0 1 29.16 900 60 + 901 41 56.515000 10.657000 -5.899000 60 S A 2 "SER " " HB3" 1 0 0 1 32 901 60 + 902 41 55.840000 11.985000 -4.921000 60 S A 2 "SER " " HB2" 1 0 0 1 32 902 60 + 903 42 57.425000 13.028000 -5.959000 60 S A 2 "SER " " HG " 1 0 0 1 38.54 903 60 + 904 25 53.664000 13.582000 -7.461000 61 R A 2 "ARG " " N " 7 0 0 1 25.65 904 61 + 905 3 52.830000 14.741000 -7.245000 61 R A 2 "ARG " " CA " 6 0 0 1 25.42 905 61 + 906 2 51.379000 14.332000 -6.951000 61 R A 2 "ARG " " C " 6 0 0 1 24.58 906 61 + 907 15 50.608000 15.184000 -6.518000 61 R A 2 "ARG " " O " 8 0 0 1 24.96 907 61 + 908 3 52.933000 15.671000 -8.478000 61 R A 2 "ARG " " CB " 6 0 0 1 26.13 908 61 + 909 3 52.361000 15.245000 -9.812000 61 R A 2 "ARG " " CG " 6 0 0 1 25.2 909 61 + 910 3 52.591000 16.347000 -10.844000 61 R A 2 "ARG " " CD " 6 0 0 1 23.24 910 61 + 911 25 52.044000 15.872000 -12.099000 61 R A 2 "ARG " " NE " 7 0 0 1 22.46 911 61 + 912 2 52.795000 15.182000 -12.949000 61 R A 2 "ARG " " CZ " 6 0 0 1 22.97 912 61 + 913 25 54.106000 15.046000 -12.763000 61 R A 2 "ARG " " NH1" 7 0 0 1 25.31 913 61 + 914 31 52.273000 14.691000 -14.055000 61 R A 2 "ARG " " NH2" 7 1 0 1 21.85 914 61 + 915 43 54.044000 13.376000 -8.374000 61 R A 2 "ARG " " H " 1 0 0 1 25.65 915 61 + 916 41 53.214000 15.280000 -6.379000 61 R A 2 "ARG " " HA " 1 0 0 1 25.42 916 61 + 917 41 53.975000 15.959000 -8.617000 61 R A 2 "ARG " " HB3" 1 0 0 1 26.13 917 61 + 918 41 52.529000 16.649000 -8.217000 61 R A 2 "ARG " " HB2" 1 0 0 1 26.13 918 61 + 919 41 51.291000 15.063000 -9.707000 61 R A 2 "ARG " " HG3" 1 0 0 1 25.2 919 61 + 920 41 52.853000 14.330000 -10.142000 61 R A 2 "ARG " " HG2" 1 0 0 1 25.2 920 61 + 921 41 53.661000 16.520000 -10.957000 61 R A 2 "ARG " " HD3" 1 0 0 1 23.24 921 61 + 922 41 52.062000 17.249000 -10.536000 61 R A 2 "ARG " " HD2" 1 0 0 1 23.24 922 61 + 923 43 51.080000 16.071000 -12.324000 61 R A 2 "ARG " " HE " 1 0 0 1 22.46 923 61 + 924 43 54.657000 14.516000 -13.423000 61 R A 2 "ARG " "HH12" 1 0 0 1 25.31 924 61 + 925 43 54.549000 15.472000 -11.962000 61 R A 2 "ARG " "HH11" 1 0 0 1 25.31 925 61 + 926 44 52.851000 14.167000 -14.697000 61 R A 2 "ARG " "HH22" 1 0 0 1 21.85 926 61 + 927 44 51.295000 14.839000 -14.261000 61 R A 2 "ARG " "HH21" 1 0 0 1 21.85 927 61 + 928 25 50.960000 13.080000 -7.189000 62 F A 2 "PHE " " N " 7 0 2 1 24.24 928 62 + 929 3 49.635000 12.593000 -6.814000 62 F A 2 "PHE " " CA " 6 0 2 1 24.53 929 62 + 930 2 49.649000 12.048000 -5.394000 62 F A 2 "PHE " " C " 6 0 2 1 22.86 930 62 + 931 15 50.552000 11.269000 -5.053000 62 F A 2 "PHE " " O " 8 0 2 1 21.06 931 62 + 932 3 49.175000 11.466000 -7.738000 62 F A 2 "PHE " " CB " 6 0 2 1 22.18 932 62 + 933 2 48.879000 11.940000 -9.150000 62 F A 2 "PHE " " CG " 6 0 2 1 23.56 933 62 + 934 2 49.888000 11.973000 -10.103000 62 F A 2 "PHE " " CD1" 6 0 2 1 23.95 934 62 + 935 2 47.602000 12.340000 -9.485000 62 F A 2 "PHE " " CD2" 6 0 2 1 22.5 935 62 + 936 2 49.615000 12.407000 -11.389000 62 F A 2 "PHE " " CE1" 6 0 2 1 23.49 936 62 + 937 2 47.333000 12.773000 -10.779000 62 F A 2 "PHE " " CE2" 6 0 2 1 23.69 937 62 + 938 2 48.336000 12.807000 -11.732000 62 F A 2 "PHE " " CZ " 6 0 2 1 23.75 938 62 + 939 43 51.572000 12.422000 -7.649000 62 F A 2 "PHE " " H " 1 0 2 1 24.24 939 62 + 940 41 48.923000 13.416000 -6.873000 62 F A 2 "PHE " " HA " 1 0 2 1 24.53 940 62 + 941 41 48.285000 10.996000 -7.320000 62 F A 2 "PHE " " HB3" 1 0 2 1 22.18 941 62 + 942 41 49.939000 10.689000 -7.770000 62 F A 2 "PHE " " HB2" 1 0 2 1 22.18 942 62 + 943 41 50.888000 11.660000 -9.842000 62 F A 2 "PHE " " HD1" 1 0 2 1 23.95 943 62 + 944 41 46.817000 12.316000 -8.744000 62 F A 2 "PHE " " HD2" 1 0 2 1 22.5 944 62 + 945 41 50.402000 12.434000 -12.128000 62 F A 2 "PHE " " HE1" 1 0 2 1 23.49 945 62 + 946 41 46.335000 13.086000 -11.047000 62 F A 2 "PHE " " HE2" 1 0 2 1 23.69 946 62 + 947 41 48.126000 13.142000 -12.737000 62 F A 2 "PHE " " HZ " 1 0 2 1 23.75 947 62 + 948 25 48.756000 12.467000 -4.500000 63 S A 2 "SER " " N " 7 0 2 1 20 948 63 + 949 3 48.712000 11.801000 -3.214000 63 S A 2 "SER " " CA " 6 0 2 1 21.99 949 63 + 950 2 47.282000 11.556000 -2.770000 63 S A 2 "SER " " C " 6 0 2 1 20.98 950 63 + 951 15 46.380000 12.370000 -3.008000 63 S A 2 "SER " " O " 8 0 2 1 21.23 951 63 + 952 3 49.434000 12.627000 -2.159000 63 S A 2 "SER " " CB " 6 0 2 1 22.73 952 63 + 953 16 48.798000 13.862000 -1.914000 63 S A 2 "SER " " OG " 8 0 2 1 24.64 953 63 + 954 43 48.133000 13.229000 -4.727000 63 S A 2 "SER " " H " 1 0 2 1 20 954 63 + 955 41 49.216000 10.839000 -3.305000 63 S A 2 "SER " " HA " 1 0 2 1 21.99 955 63 + 956 41 50.461000 12.805000 -2.478000 63 S A 2 "SER " " HB3" 1 0 2 1 22.73 956 63 + 957 41 49.492000 12.059000 -1.231000 63 S A 2 "SER " " HB2" 1 0 2 1 22.73 957 63 + 958 42 47.902000 13.706000 -1.606000 63 S A 2 "SER " " HG " 1 0 2 1 24.64 958 63 + 959 25 47.033000 10.412000 -2.172000 64 G A 2 "GLY " " N " 7 0 2 1 19.61 959 64 + 960 3 45.697000 10.112000 -1.714000 64 G A 2 "GLY " " CA " 6 0 2 1 20.62 960 64 + 961 2 45.684000 10.082000 -0.202000 64 G A 2 "GLY " " C " 6 0 2 1 16.43 961 64 + 962 15 46.710000 9.777000 0.409000 64 G A 2 "GLY " " O " 8 0 2 1 15.66 962 64 + 963 43 47.776000 9.743000 -2.033000 64 G A 2 "GLY " " H " 1 0 2 1 19.61 963 64 + 964 41 45.391000 9.139000 -2.099000 64 G A 2 "GLY " " HA3" 1 0 2 1 20.62 964 64 + 965 41 45.011000 10.881000 -2.068000 64 G A 2 "GLY " " HA2" 1 0 2 1 20.62 965 64 + 966 25 44.548000 10.405000 0.390000 65 S A 2 "SER " " N " 7 0 2 1 17.93 966 65 + 967 3 44.385000 10.340000 1.829000 65 S A 2 "SER " " CA " 6 0 2 1 17.39 967 65 + 968 2 42.905000 10.031000 2.109000 65 S A 2 "SER " " C " 6 0 2 1 18.81 968 65 + 969 15 42.085000 9.995000 1.175000 65 S A 2 "SER " " O " 8 0 2 1 15.83 969 65 + 970 3 44.820000 11.684000 2.432000 65 S A 2 "SER " " CB " 6 0 2 1 18.88 970 65 + 971 16 43.880000 12.693000 2.064000 65 S A 2 "SER " " OG " 8 0 2 1 23.15 971 65 + 972 43 43.759000 10.709000 -0.163000 65 S A 2 "SER " " H " 1 0 2 1 17.93 972 65 + 973 41 45.007000 9.541000 2.231000 65 S A 2 "SER " " HA " 1 0 2 1 17.39 973 65 + 974 41 45.806000 11.950000 2.052000 65 S A 2 "SER " " HB3" 1 0 2 1 18.88 974 65 + 975 41 44.856000 11.600000 3.518000 65 S A 2 "SER " " HB2" 1 0 2 1 18.88 975 65 + 976 42 43.011000 12.458000 2.397000 65 S A 2 "SER " " HG " 1 0 2 1 23.15 976 65 + 977 25 42.539000 9.763000 3.368000 66 G A 2 "GLY " " N " 7 0 2 1 20.23 977 66 + 978 3 41.181000 9.458000 3.760000 66 G A 2 "GLY " " CA " 6 0 2 1 22.49 978 66 + 979 2 41.152000 8.249000 4.685000 66 G A 2 "GLY " " C " 6 0 2 1 28.22 979 66 + 980 15 42.145000 7.512000 4.854000 66 G A 2 "GLY " " O " 8 0 2 1 28.22 980 66 + 981 43 43.228000 9.767000 4.106000 66 G A 2 "GLY " " H " 1 0 2 1 20.23 981 66 + 982 41 40.585000 9.250000 2.872000 66 G A 2 "GLY " " HA3" 1 0 2 1 22.49 982 66 + 983 41 40.749000 10.318000 4.273000 66 G A 2 "GLY " " HA2" 1 0 2 1 22.49 983 66 + 984 25 39.996000 8.053000 5.314000 67 S A 2 "SER " " N " 7 0 2 1 30.16 984 67 + 985 3 39.734000 6.943000 6.229000 67 S A 2 "SER " " CA " 6 0 2 1 30.07 985 67 + 986 2 38.235000 6.846000 6.355000 67 S A 2 "SER " " C " 6 0 2 1 29.63 986 67 + 987 15 37.540000 7.851000 6.124000 67 S A 2 "SER " " O " 8 0 2 1 29 987 67 + 988 3 40.234000 7.181000 7.652000 67 S A 2 "SER " " CB " 6 0 2 1 32.93 988 67 + 989 16 41.638000 7.348000 7.764000 67 S A 2 "SER " " OG " 8 0 2 1 41.97 989 67 + 990 43 39.229000 8.694000 5.172000 67 S A 2 "SER " " H " 1 0 2 1 30.16 990 67 + 991 41 40.144000 6.015000 5.831000 67 S A 2 "SER " " HA " 1 0 2 1 30.07 991 67 + 992 41 39.917000 6.355000 8.289000 67 S A 2 "SER " " HB3" 1 0 2 1 32.93 992 67 + 993 41 39.732000 8.054000 8.070000 67 S A 2 "SER " " HB2" 1 0 2 1 32.93 993 67 + 994 42 41.913000 8.105000 7.242000 67 S A 2 "SER " " HG " 1 0 2 1 41.97 994 67 + 995 25 37.727000 5.682000 6.756000 68 G A 2 "GLY " " N " 7 0 0 1 28.45 995 68 + 996 3 36.305000 5.548000 7.014000 68 G A 2 "GLY " " CA " 6 0 0 1 27.09 996 68 + 997 2 35.470000 5.845000 5.789000 68 G A 2 "GLY " " C " 6 0 0 1 24.24 997 68 + 998 15 35.368000 4.982000 4.904000 68 G A 2 "GLY " " O " 8 0 0 1 19.45 998 68 + 999 43 38.332000 4.884000 6.883000 68 G A 2 "GLY " " H " 1 0 0 1 28.45 999 68 + 1000 41 36.018000 6.223000 7.821000 68 G A 2 "GLY " " HA3" 1 0 0 1 27.09 1000 68 + 1001 41 36.093000 4.536000 7.360000 68 G A 2 "GLY " " HA2" 1 0 0 1 27.09 1001 68 + 1002 25 34.939000 7.075000 5.731000 69 T A 2 "THR " " N " 7 0 0 1 23.38 1002 69 + 1003 3 34.056000 7.478000 4.630000 69 T A 2 "THR " " CA " 6 0 0 1 21.76 1003 69 + 1004 2 34.433000 8.720000 3.827000 69 T A 2 "THR " " C " 6 0 0 1 20.29 1004 69 + 1005 15 33.772000 8.922000 2.815000 69 T A 2 "THR " " O " 8 0 0 1 18.12 1005 69 + 1006 3 32.598000 7.655000 5.147000 69 T A 2 "THR " " CB " 6 0 0 1 23.2 1006 69 + 1007 16 32.662000 8.632000 6.178000 69 T A 2 "THR " " OG1" 8 0 0 1 30.93 1007 69 + 1008 3 31.992000 6.392000 5.738000 69 T A 2 "THR " " CG2" 6 0 0 1 19.83 1008 69 + 1009 43 35.144000 7.748000 6.456000 69 T A 2 "THR " " H " 1 0 0 1 23.38 1009 69 + 1010 41 34.037000 6.646000 3.926000 69 T A 2 "THR " " HA " 1 0 0 1 21.76 1010 69 + 1011 41 31.965000 8.019000 4.338000 69 T A 2 "THR " " HB " 1 0 0 1 23.2 1011 69 + 1012 42 31.783000 8.780000 6.534000 69 T A 2 "THR " " HG1" 1 0 0 1 30.93 1012 69 + 1013 41 30.976000 6.599000 6.075000 69 T A 2 "THR " "HG21" 1 0 0 1 19.83 1013 69 + 1014 41 31.971000 5.609000 4.980000 69 T A 2 "THR " "HG22" 1 0 0 1 19.83 1014 69 + 1015 41 32.594000 6.061000 6.584000 69 T A 2 "THR " "HG23" 1 0 0 1 19.83 1015 69 + 1016 25 35.382000 9.622000 4.141000 70 Q A 2 "GLN " " N " 7 0 2 1 24.85 1016 70 + 1017 3 35.732000 10.690000 3.200000 70 Q A 2 "GLN " " CA " 6 0 2 1 28.23 1017 70 + 1018 2 37.178000 10.440000 2.735000 70 Q A 2 "GLN " " C " 6 0 2 1 25.17 1018 70 + 1019 15 38.049000 9.955000 3.488000 70 Q A 2 "GLN " " O " 8 0 2 1 23.71 1019 70 + 1020 3 35.589000 12.073000 3.873000 70 Q A 2 "GLN " " CB " 6 0 2 1 34.15 1020 70 + 1021 3 35.479000 13.217000 2.843000 70 Q A 2 "GLN " " CG " 6 0 2 1 41.9 1021 70 + 1022 2 34.252000 14.143000 2.943000 70 Q A 2 "GLN " " CD " 6 0 2 1 46.67 1022 70 + 1023 15 33.148000 13.820000 2.504000 70 Q A 2 "GLN " " OE1" 8 0 2 1 47.96 1023 70 + 1024 25 34.303000 15.342000 3.513000 70 Q A 2 "GLN " " NE2" 7 0 2 1 49.29 1024 70 + 1025 43 35.858000 9.565000 5.030000 70 Q A 2 "GLN " " H " 1 0 2 1 24.85 1025 70 + 1026 41 35.066000 10.641000 2.339000 70 Q A 2 "GLN " " HA " 1 0 2 1 28.23 1026 70 + 1027 41 36.447000 12.251000 4.522000 70 Q A 2 "GLN " " HB3" 1 0 2 1 34.15 1027 70 + 1028 41 34.706000 12.075000 4.513000 70 Q A 2 "GLN " " HB2" 1 0 2 1 34.15 1028 70 + 1029 41 35.532000 12.800000 1.837000 70 Q A 2 "GLN " " HG3" 1 0 2 1 41.9 1029 70 + 1030 41 36.386000 13.820000 2.879000 70 Q A 2 "GLN " " HG2" 1 0 2 1 41.9 1030 70 + 1031 43 33.473000 15.916000 3.556000 70 Q A 2 "GLN " "HE22" 1 0 2 1 49.29 1031 70 + 1032 43 35.172000 15.679000 3.903000 70 Q A 2 "GLN " "HE21" 1 0 2 1 49.29 1032 70 + 1033 25 37.387000 10.587000 1.427000 71 Y A 2 "TYR " " N " 7 0 2 1 20.47 1033 71 + 1034 3 38.677000 10.307000 0.810000 71 Y A 2 "TYR " " CA " 6 0 2 1 20.1 1034 71 + 1035 2 39.035000 11.419000 -0.177000 71 Y A 2 "TYR " " C " 6 0 2 1 19.88 1035 71 + 1036 15 38.129000 11.992000 -0.787000 71 Y A 2 "TYR " " O " 8 0 2 1 21.04 1036 71 + 1037 3 38.593000 8.935000 0.094000 71 Y A 2 "TYR " " CB " 6 0 2 1 17.92 1037 71 + 1038 2 38.367000 7.738000 1.034000 71 Y A 2 "TYR " " CG " 6 0 2 1 18.91 1038 71 + 1039 2 37.096000 7.388000 1.465000 71 Y A 2 "TYR " " CD1" 6 0 2 1 15.2 1039 71 + 1040 2 39.465000 7.030000 1.509000 71 Y A 2 "TYR " " CD2" 6 0 2 1 17.78 1040 71 + 1041 2 36.945000 6.338000 2.365000 71 Y A 2 "TYR " " CE1" 6 0 2 1 14.87 1041 71 + 1042 2 39.309000 5.985000 2.400000 71 Y A 2 "TYR " " CE2" 6 0 2 1 16.85 1042 71 + 1043 2 38.047000 5.652000 2.825000 71 Y A 2 "TYR " " CZ " 6 0 2 1 14.47 1043 71 + 1044 16 37.909000 4.606000 3.715000 71 Y A 2 "TYR " " OH " 8 0 2 1 13.37 1044 71 + 1045 43 36.637000 10.902000 0.828000 71 Y A 2 "TYR " " H " 1 0 2 1 20.47 1045 71 + 1046 41 39.441000 10.259000 1.586000 71 Y A 2 "TYR " " HA " 1 0 2 1 20.1 1046 71 + 1047 41 39.503000 8.773000 -0.484000 71 Y A 2 "TYR " " HB3" 1 0 2 1 17.92 1047 71 + 1048 41 37.798000 8.964000 -0.651000 71 Y A 2 "TYR " " HB2" 1 0 2 1 17.92 1048 71 + 1049 41 36.235000 7.929000 1.102000 71 Y A 2 "TYR " " HD1" 1 0 2 1 15.2 1049 71 + 1050 41 40.460000 7.294000 1.182000 71 Y A 2 "TYR " " HD2" 1 0 2 1 17.78 1050 71 + 1051 41 35.960000 6.057000 2.707000 71 Y A 2 "TYR " " HE1" 1 0 2 1 14.87 1051 71 + 1052 41 40.174000 5.442000 2.753000 71 Y A 2 "TYR " " HE2" 1 0 2 1 16.85 1052 71 + 1053 42 37.060000 4.672000 4.158000 71 Y A 2 "TYR " " HH " 1 0 2 1 13.37 1053 71 + 1054 25 40.316000 11.757000 -0.355000 72 S A 2 "SER " " N " 7 0 2 1 18.65 1054 72 + 1055 3 40.789000 12.799000 -1.277000 72 S A 2 "SER " " CA " 6 0 2 1 20.16 1055 72 + 1056 2 41.982000 12.393000 -2.136000 72 S A 2 "SER " " C " 6 0 2 1 17.13 1056 72 + 1057 15 42.869000 11.635000 -1.709000 72 S A 2 "SER " " O " 8 0 2 1 15.08 1057 72 + 1058 3 41.257000 14.031000 -0.541000 72 S A 2 "SER " " CB " 6 0 2 1 18.85 1058 72 + 1059 16 40.221000 14.371000 0.325000 72 S A 2 "SER " " OG " 8 0 2 1 28.48 1059 72 + 1060 43 41.040000 11.283000 0.165000 72 S A 2 "SER " " H " 1 0 2 1 18.65 1060 72 + 1061 41 39.967000 13.079000 -1.935000 72 S A 2 "SER " " HA " 1 0 2 1 20.16 1061 72 + 1062 41 41.413000 14.841000 -1.254000 72 S A 2 "SER " " HB3" 1 0 2 1 18.85 1062 72 + 1063 41 42.148000 13.790000 0.038000 72 S A 2 "SER " " HB2" 1 0 2 1 18.85 1063 72 + 1064 42 40.058000 13.644000 0.931000 72 S A 2 "SER " " HG " 1 0 2 1 28.48 1064 72 + 1065 25 41.992000 12.942000 -3.345000 73 L A 2 "LEU " " N " 7 0 2 1 15.31 1065 73 + 1066 3 43.145000 12.834000 -4.211000 73 L A 2 "LEU " " CA " 6 0 2 1 15.05 1066 73 + 1067 2 43.669000 14.253000 -4.315000 73 L A 2 "LEU " " C " 6 0 2 1 16.36 1067 73 + 1068 15 42.879000 15.151000 -4.651000 73 L A 2 "LEU " " O " 8 0 2 1 16.33 1068 73 + 1069 3 42.752000 12.328000 -5.606000 73 L A 2 "LEU " " CB " 6 0 2 1 16.54 1069 73 + 1070 3 43.846000 12.135000 -6.680000 73 L A 2 "LEU " " CG " 6 0 2 1 19.81 1070 73 + 1071 3 44.737000 10.951000 -6.355000 73 L A 2 "LEU " " CD1" 6 0 2 1 19.97 1071 73 + 1072 3 43.177000 11.911000 -8.010000 73 L A 2 "LEU " " CD2" 6 0 2 1 17.25 1072 73 + 1073 43 41.183000 13.448000 -3.677000 73 L A 2 "LEU " " H " 1 0 2 1 15.31 1073 73 + 1074 41 43.896000 12.182000 -3.766000 73 L A 2 "LEU " " HA " 1 0 2 1 15.05 1074 73 + 1075 41 41.969000 12.970000 -6.009000 73 L A 2 "LEU " " HB3" 1 0 2 1 16.54 1075 73 + 1076 41 42.190000 11.400000 -5.502000 73 L A 2 "LEU " " HB2" 1 0 2 1 16.54 1076 73 + 1077 41 44.456000 13.037000 -6.734000 73 L A 2 "LEU " " HG " 1 0 2 1 19.81 1077 73 + 1078 41 45.496000 10.843000 -7.130000 73 L A 2 "LEU " "HD11" 1 0 2 1 19.97 1078 73 + 1079 41 45.222000 11.114000 -5.393000 73 L A 2 "LEU " "HD12" 1 0 2 1 19.97 1079 73 + 1080 41 44.134000 10.044000 -6.308000 73 L A 2 "LEU " "HD13" 1 0 2 1 19.97 1080 73 + 1081 41 43.936000 11.773000 -8.780000 73 L A 2 "LEU " "HD21" 1 0 2 1 17.25 1081 73 + 1082 41 42.549000 11.022000 -7.956000 73 L A 2 "LEU " "HD22" 1 0 2 1 17.25 1082 73 + 1083 41 42.562000 12.776000 -8.258000 73 L A 2 "LEU " "HD23" 1 0 2 1 17.25 1083 73 + 1084 25 44.944000 14.507000 -4.052000 74 K A 2 "LYS " " N " 7 0 2 1 18.46 1084 74 + 1085 3 45.509000 15.841000 -4.205000 74 K A 2 "LYS " " CA " 6 0 2 1 21.24 1085 74 + 1086 2 46.557000 15.747000 -5.321000 74 K A 2 "LYS " " C " 6 0 2 1 20.16 1086 74 + 1087 15 47.283000 14.753000 -5.448000 74 K A 2 "LYS " " O " 8 0 2 1 15.72 1087 74 + 1088 3 46.155000 16.284000 -2.907000 74 K A 2 "LYS " " CB " 6 0 2 1 23.35 1088 74 + 1089 3 46.435000 17.788000 -2.961000 74 K A 2 "LYS " " CG " 6 0 2 1 32.39 1089 74 + 1090 3 47.103000 18.382000 -1.724000 74 K A 2 "LYS " " CD " 6 0 2 1 36.22 1090 74 + 1091 3 48.414000 17.632000 -1.468000 74 K A 2 "LYS " " CE " 6 0 2 1 43.62 1091 74 + 1092 32 49.353000 18.358000 -0.626000 74 K A 2 "LYS " " NZ " 7 1 2 1 46.47 1092 74 + 1093 43 45.552000 13.765000 -3.736000 74 K A 2 "LYS " " H " 1 0 2 1 18.46 1093 74 + 1094 41 44.727000 16.545000 -4.489000 74 K A 2 "LYS " " HA " 1 0 2 1 21.24 1094 74 + 1095 41 47.092000 15.745000 -2.765000 74 K A 2 "LYS " " HB3" 1 0 2 1 23.35 1095 74 + 1096 41 45.484000 16.069000 -2.076000 74 K A 2 "LYS " " HB2" 1 0 2 1 23.35 1096 74 + 1097 41 45.505000 18.320000 -3.158000 74 K A 2 "LYS " " HG3" 1 0 2 1 32.39 1097 74 + 1098 41 47.042000 18.010000 -3.839000 74 K A 2 "LYS " " HG2" 1 0 2 1 32.39 1098 74 + 1099 41 46.444000 18.265000 -0.864000 74 K A 2 "LYS " " HD3" 1 0 2 1 36.22 1099 74 + 1100 41 47.316000 19.437000 -1.898000 74 K A 2 "LYS " " HD2" 1 0 2 1 36.22 1100 74 + 1101 41 48.889000 17.398000 -2.421000 74 K A 2 "LYS " " HE3" 1 0 2 1 43.62 1101 74 + 1102 41 48.195000 16.665000 -1.015000 74 K A 2 "LYS " " HE2" 1 0 2 1 43.62 1102 74 + 1103 44 48.930000 18.537000 0.274000 74 K A 2 "LYS " " HZ1" 1 0 2 1 46.47 1103 74 + 1104 44 50.190000 17.806000 -0.501000 74 K A 2 "LYS " " HZ2" 1 0 2 1 46.47 1104 74 + 1105 44 49.592000 19.235000 -1.066000 74 K A 2 "LYS " " HZ3" 1 0 2 1 46.47 1105 74 + 1106 25 46.615000 16.753000 -6.192000 75 I A 2 "ILE " " N " 7 0 2 1 21.74 1106 75 + 1107 3 47.587000 16.777000 -7.284000 75 I A 2 "ILE " " CA " 6 0 2 1 21.75 1107 75 + 1108 2 48.331000 18.073000 -7.058000 75 I A 2 "ILE " " C " 6 0 2 1 20.37 1108 75 + 1109 15 47.741000 19.156000 -7.133000 75 I A 2 "ILE " " O " 8 0 2 1 20.19 1109 75 + 1110 3 46.924000 16.816000 -8.684000 75 I A 2 "ILE " " CB " 6 0 2 1 21.33 1110 75 + 1111 3 45.858000 15.729000 -8.844000 75 I A 2 "ILE " " CG1" 6 0 2 1 21.6 1111 75 + 1112 3 48.024000 16.572000 -9.723000 75 I A 2 "ILE " " CG2" 6 0 2 1 23.2 1112 75 + 1113 3 44.995000 15.877000 -10.092000 75 I A 2 "ILE " " CD1" 6 0 2 1 21.63 1113 75 + 1114 43 45.975000 17.530000 -6.109000 75 I A 2 "ILE " " H " 1 0 2 1 21.74 1114 75 + 1115 41 48.267000 15.929000 -7.208000 75 I A 2 "ILE " " HA " 1 0 2 1 21.75 1115 75 + 1116 41 46.475000 17.796000 -8.849000 75 I A 2 "ILE " " HB " 1 0 2 1 21.33 1116 75 + 1117 41 45.218000 15.718000 -7.962000 75 I A 2 "ILE " "HG13" 1 0 2 1 21.6 1117 75 + 1118 41 46.338000 14.750000 -8.851000 75 I A 2 "ILE " "HG12" 1 0 2 1 21.6 1118 75 + 1119 41 47.591000 16.593000 -10.723000 75 I A 2 "ILE " "HG21" 1 0 2 1 23.2 1119 75 + 1120 41 48.782000 17.350000 -9.640000 75 I A 2 "ILE " "HG22" 1 0 2 1 23.2 1120 75 + 1121 41 48.482000 15.599000 -9.546000 75 I A 2 "ILE " "HG23" 1 0 2 1 23.2 1121 75 + 1122 41 44.266000 15.067000 -10.129000 75 I A 2 "ILE " "HD11" 1 0 2 1 21.63 1122 75 + 1123 41 44.473000 16.834000 -10.062000 75 I A 2 "ILE " "HD12" 1 0 2 1 21.63 1123 75 + 1124 41 45.628000 15.836000 -10.979000 75 I A 2 "ILE " "HD13" 1 0 2 1 21.63 1124 75 + 1125 25 49.595000 17.940000 -6.709000 76 N A 2 "ASN " " N " 7 0 0 1 19.47 1125 76 + 1126 3 50.425000 19.092000 -6.461000 76 N A 2 "ASN " " CA " 6 0 0 1 27.44 1126 76 + 1127 2 51.153000 19.528000 -7.700000 76 N A 2 "ASN " " C " 6 0 0 1 27.44 1127 76 + 1128 15 51.701000 18.660000 -8.374000 76 N A 2 "ASN " " O " 8 0 0 1 27.99 1128 76 + 1129 3 51.458000 18.804000 -5.435000 76 N A 2 "ASN " " CB " 6 0 0 1 32.79 1129 76 + 1130 2 50.820000 18.815000 -4.073000 76 N A 2 "ASN " " CG " 6 0 0 1 40.51 1130 76 + 1131 15 50.267000 19.921000 -3.589000 76 N A 2 "ASN " " OD1" 8 0 0 1 43.74 1131 76 + 1132 25 50.803000 17.786000 -3.414000 76 N A 2 "ASN " " ND2" 7 0 0 1 43.21 1132 76 + 1133 43 49.998000 17.019000 -6.611000 76 N A 2 "ASN " " H " 1 0 0 1 19.47 1133 76 + 1134 41 49.798000 19.912000 -6.112000 76 N A 2 "ASN " " HA " 1 0 0 1 27.44 1134 76 + 1135 41 52.235000 19.567000 -5.478000 76 N A 2 "ASN " " HB3" 1 0 0 1 32.79 1135 76 + 1136 41 51.894000 17.823000 -5.624000 76 N A 2 "ASN " " HB2" 1 0 0 1 32.79 1136 76 + 1137 43 50.378000 17.780000 -2.498000 76 N A 2 "ASN " "HD22" 1 0 0 1 43.21 1137 76 + 1138 43 51.214000 16.942000 -3.785000 76 N A 2 "ASN " "HD21" 1 0 0 1 43.21 1138 76 + 1139 25 51.154000 20.826000 -8.011000 77 S A 2 "SER " " N " 7 0 0 1 27.81 1139 77 + 1140 3 51.884000 21.367000 -9.158000 77 S A 2 "SER " " CA " 6 0 0 1 28.36 1140 77 + 1141 2 51.572000 20.605000 -10.448000 77 S A 2 "SER " " C " 6 0 0 1 25.09 1141 77 + 1142 15 52.413000 19.996000 -11.122000 77 S A 2 "SER " " O " 8 0 0 1 25.03 1142 77 + 1143 3 53.382000 21.326000 -8.869000 77 S A 2 "SER " " CB " 6 0 0 1 27.15 1143 77 + 1144 16 53.645000 22.025000 -7.659000 77 S A 2 "SER " " OG " 8 0 0 1 37.3 1144 77 + 1145 43 50.635000 21.482000 -7.444000 77 S A 2 "SER " " H " 1 0 0 1 27.81 1145 77 + 1146 41 51.589000 22.407000 -9.294000 77 S A 2 "SER " " HA " 1 0 0 1 28.36 1146 77 + 1147 41 53.923000 21.801000 -9.688000 77 S A 2 "SER " " HB3" 1 0 0 1 27.15 1147 77 + 1148 41 53.704000 20.290000 -8.767000 77 S A 2 "SER " " HB2" 1 0 0 1 27.15 1148 77 + 1149 42 53.167000 21.609000 -6.938000 77 S A 2 "SER " " HG " 1 0 0 1 37.3 1149 77 + 1150 25 50.293000 20.670000 -10.795000 78 L A 2 "LEU " " N " 7 0 0 1 23.18 1150 78 + 1151 3 49.834000 19.923000 -11.925000 78 L A 2 "LEU " " CA " 6 0 0 1 22.72 1151 78 + 1152 2 50.463000 20.368000 -13.250000 78 L A 2 "LEU " " C " 6 0 0 1 20.4 1152 78 + 1153 15 50.844000 21.513000 -13.487000 78 L A 2 "LEU " " O " 8 0 0 1 18.88 1153 78 + 1154 3 48.314000 20.002000 -11.847000 78 L A 2 "LEU " " CB " 6 0 0 1 25.33 1154 78 + 1155 3 47.543000 21.205000 -12.247000 78 L A 2 "LEU " " CG " 6 0 0 1 27.01 1155 78 + 1156 3 47.161000 21.058000 -13.696000 78 L A 2 "LEU " " CD1" 6 0 0 1 29.81 1156 78 + 1157 3 46.261000 21.284000 -11.481000 78 L A 2 "LEU " " CD2" 6 0 0 1 27.55 1157 78 + 1158 43 49.654000 21.243000 -10.263000 78 L A 2 "LEU " " H " 1 0 0 1 23.18 1158 78 + 1159 41 50.115000 18.882000 -11.764000 78 L A 2 "LEU " " HA " 1 0 0 1 22.72 1159 78 + 1160 41 48.001000 19.706000 -10.846000 78 L A 2 "LEU " " HB3" 1 0 0 1 25.33 1160 78 + 1161 41 47.894000 19.135000 -12.356000 78 L A 2 "LEU " " HB2" 1 0 0 1 25.33 1161 78 + 1162 41 48.136000 22.107000 -12.097000 78 L A 2 "LEU " " HG " 1 0 0 1 27.01 1162 78 + 1163 41 46.592000 21.932000 -14.013000 78 L A 2 "LEU " "HD11" 1 0 0 1 29.81 1163 78 + 1164 41 48.062000 20.972000 -14.303000 78 L A 2 "LEU " "HD12" 1 0 0 1 29.81 1164 78 + 1165 41 46.551000 20.163000 -13.823000 78 L A 2 "LEU " "HD13" 1 0 0 1 29.81 1165 78 + 1166 41 45.708000 22.172000 -11.787000 78 L A 2 "LEU " "HD21" 1 0 0 1 27.55 1166 78 + 1167 41 45.661000 20.396000 -11.683000 78 L A 2 "LEU " "HD22" 1 0 0 1 27.55 1167 78 + 1168 41 46.477000 21.341000 -10.414000 78 L A 2 "LEU " "HD23" 1 0 0 1 27.55 1168 78 + 1169 25 50.597000 19.388000 -14.112000 79 Q A 2 "GLN " " N " 7 0 0 1 20.86 1169 79 + 1170 3 51.378000 19.454000 -15.334000 79 Q A 2 "GLN " " CA " 6 0 0 1 19.89 1170 79 + 1171 2 50.440000 19.310000 -16.511000 79 Q A 2 "GLN " " C " 6 0 0 1 20.91 1171 79 + 1172 15 49.352000 18.762000 -16.277000 79 Q A 2 "GLN " " O " 8 0 0 1 18.92 1172 79 + 1173 3 52.394000 18.317000 -15.313000 79 Q A 2 "GLN " " CB " 6 0 0 1 22.63 1173 79 + 1174 3 53.506000 18.589000 -14.317000 79 Q A 2 "GLN " " CG " 6 0 0 1 29.11 1174 79 + 1175 2 54.229000 19.911000 -14.586000 79 Q A 2 "GLN " " CD " 6 0 0 1 34.41 1175 79 + 1176 15 54.900000 20.069000 -15.610000 79 Q A 2 "GLN " " OE1" 8 0 0 1 37.29 1176 79 + 1177 25 54.133000 20.889000 -13.687000 79 Q A 2 "GLN " " NE2" 7 0 0 1 35.28 1177 79 + 1178 43 50.137000 18.504000 -13.947000 79 Q A 2 "GLN " " H " 1 0 0 1 20.86 1178 79 + 1179 41 51.896000 20.411000 -15.390000 79 Q A 2 "GLN " " HA " 1 0 0 1 19.89 1179 79 + 1180 41 52.821000 18.193000 -16.308000 79 Q A 2 "GLN " " HB3" 1 0 0 1 22.63 1180 79 + 1181 41 51.891000 17.386000 -15.050000 79 Q A 2 "GLN " " HB2" 1 0 0 1 22.63 1181 79 + 1182 41 54.225000 17.771000 -14.345000 79 Q A 2 "GLN " " HG3" 1 0 0 1 29.11 1182 79 + 1183 41 53.094000 18.600000 -13.308000 79 Q A 2 "GLN " " HG2" 1 0 0 1 29.11 1183 79 + 1184 43 54.603000 21.769000 -13.846000 79 Q A 2 "GLN " "HE22" 1 0 0 1 35.28 1184 79 + 1185 43 53.591000 20.751000 -12.846000 79 Q A 2 "GLN " "HE21" 1 0 0 1 35.28 1185 79 + 1186 25 50.792000 19.697000 -17.765000 80 P A 2 "PRO " " N " 7 0 0 1 20.67 1186 80 + 1187 3 49.943000 19.572000 -18.947000 80 P A 2 "PRO " " CA " 6 0 0 1 18.68 1187 80 + 1188 2 49.290000 18.219000 -19.126000 80 P A 2 "PRO " " C " 6 0 0 1 16.92 1188 80 + 1189 15 48.126000 18.131000 -19.481000 80 P A 2 "PRO " " O " 8 0 0 1 20.1 1189 80 + 1190 3 50.854000 19.917000 -20.097000 80 P A 2 "PRO " " CB " 6 0 0 1 17.94 1190 80 + 1191 3 51.757000 20.933000 -19.465000 80 P A 2 "PRO " " CG " 6 0 0 1 17.04 1191 80 + 1192 3 52.081000 20.288000 -18.130000 80 P A 2 "PRO " " CD " 6 0 0 1 17.88 1192 80 + 1193 41 49.160000 20.328000 -18.890000 80 P A 2 "PRO " " HA " 1 0 0 1 18.68 1193 80 + 1194 41 50.271000 20.397000 -20.883000 80 P A 2 "PRO " " HB3" 1 0 0 1 17.94 1194 80 + 1195 41 51.439000 19.037000 -20.366000 80 P A 2 "PRO " " HB2" 1 0 0 1 17.94 1195 80 + 1196 41 51.197000 21.852000 -19.293000 80 P A 2 "PRO " " HG3" 1 0 0 1 17.04 1196 80 + 1197 41 52.670000 21.017000 -20.054000 80 P A 2 "PRO " " HG2" 1 0 0 1 17.04 1197 80 + 1198 41 52.809000 19.492000 -18.284000 80 P A 2 "PRO " " HD2" 1 0 0 1 17.88 1198 80 + 1199 41 52.335000 21.065000 -17.409000 80 P A 2 "PRO " " HD3" 1 0 0 1 17.88 1199 80 + 1200 25 49.961000 17.114000 -18.861000 81 E A 2 "GLU " " N " 7 0 0 1 21.16 1200 81 + 1201 3 49.359000 15.798000 -19.031000 81 E A 2 "GLU " " CA " 6 0 0 1 22.72 1201 81 + 1202 2 48.428000 15.364000 -17.904000 81 E A 2 "GLU " " C " 6 0 0 1 21.74 1202 81 + 1203 15 47.943000 14.241000 -17.937000 81 E A 2 "GLU " " O " 8 0 0 1 19.48 1203 81 + 1204 3 50.459000 14.744000 -19.214000 81 E A 2 "GLU " " CB " 6 0 0 1 24.49 1204 81 + 1205 3 51.320000 14.418000 -18.009000 81 E A 2 "GLU " " CG " 6 0 0 1 30.75 1205 81 + 1206 2 52.656000 15.144000 -17.931000 81 E A 2 "GLU " " CD " 6 0 0 1 37.51 1206 81 + 1207 15 52.737000 16.329000 -18.265000 81 E A 2 "GLU " " OE1" 8 0 0 1 38.55 1207 81 + 1208 18 53.636000 14.511000 -17.529000 81 E A 2 "GLU " " OE2" 8 -1 0 1 40.74 1208 81 + 1209 43 50.914000 17.169000 -18.532000 81 E A 2 "GLU " " H " 1 0 0 1 21.16 1209 81 + 1210 41 48.772000 15.822000 -19.949000 81 E A 2 "GLU " " HA " 1 0 0 1 22.72 1210 81 + 1211 41 51.102000 15.038000 -20.044000 81 E A 2 "GLU " " HB3" 1 0 0 1 24.49 1211 81 + 1212 41 50.014000 13.825000 -19.595000 81 E A 2 "GLU " " HB2" 1 0 0 1 24.49 1212 81 + 1213 41 51.492000 13.342000 -17.970000 81 E A 2 "GLU " " HG3" 1 0 0 1 30.75 1213 81 + 1214 41 50.752000 14.611000 -17.099000 81 E A 2 "GLU " " HG2" 1 0 0 1 30.75 1214 81 + 1215 25 48.178000 16.180000 -16.881000 82 D A 2 "ASP " " N " 7 0 0 1 21.43 1215 82 + 1216 3 47.238000 15.798000 -15.832000 82 D A 2 "ASP " " CA " 6 0 0 1 19.9 1216 82 + 1217 2 45.808000 16.176000 -16.173000 82 D A 2 "ASP " " C " 6 0 0 1 19.64 1217 82 + 1218 15 44.875000 15.738000 -15.490000 82 D A 2 "ASP " " O " 8 0 0 1 21.79 1218 82 + 1219 3 47.605000 16.449000 -14.482000 82 D A 2 "ASP " " CB " 6 0 0 1 18.78 1219 82 + 1220 2 48.958000 16.022000 -13.960000 82 D A 2 "ASP " " CG " 6 0 0 1 18.75 1220 82 + 1221 15 49.454000 14.958000 -14.341000 82 D A 2 "ASP " " OD1" 8 0 0 1 20.67 1221 82 + 1222 18 49.525000 16.762000 -13.168000 82 D A 2 "ASP " " OD2" 8 -1 0 1 17.23 1222 82 + 1223 43 48.641000 17.076000 -16.825000 82 D A 2 "ASP " " H " 1 0 0 1 21.43 1223 82 + 1224 41 47.284000 14.716000 -15.711000 82 D A 2 "ASP " " HA " 1 0 0 1 19.9 1224 82 + 1225 41 46.840000 16.208000 -13.744000 82 D A 2 "ASP " " HB3" 1 0 0 1 18.78 1225 82 + 1226 41 47.583000 17.534000 -14.586000 82 D A 2 "ASP " " HB2" 1 0 0 1 18.78 1226 82 + 1227 25 45.545000 16.975000 -17.210000 83 F A 2 "PHE " " N " 7 0 0 1 19.99 1227 83 + 1228 3 44.168000 17.306000 -17.517000 83 F A 2 "PHE " " CA " 6 0 0 1 22.58 1228 83 + 1229 2 43.470000 16.061000 -18.086000 83 F A 2 "PHE " " C " 6 0 0 1 23.64 1229 83 + 1230 15 44.066000 15.294000 -18.858000 83 F A 2 "PHE " " O " 8 0 0 1 23.92 1230 83 + 1231 3 44.187000 18.479000 -18.486000 83 F A 2 "PHE " " CB " 6 0 0 1 21.64 1231 83 + 1232 2 44.786000 19.736000 -17.851000 83 F A 2 "PHE " " CG " 6 0 0 1 24.98 1232 83 + 1233 2 44.014000 20.547000 -17.046000 83 F A 2 "PHE " " CD1" 6 0 0 1 25.65 1233 83 + 1234 2 46.106000 20.076000 -18.074000 83 F A 2 "PHE " " CD2" 6 0 0 1 24.85 1234 83 + 1235 2 44.558000 21.681000 -16.481000 83 F A 2 "PHE " " CE1" 6 0 0 1 26.02 1235 83 + 1236 2 46.643000 21.202000 -17.506000 83 F A 2 "PHE " " CE2" 6 0 0 1 25.75 1236 83 + 1237 2 45.869000 22.008000 -16.712000 83 F A 2 "PHE " " CZ " 6 0 0 1 26.79 1237 83 + 1238 43 46.302000 17.341000 -17.770000 83 F A 2 "PHE " " H " 1 0 0 1 19.99 1238 83 + 1239 41 43.662000 17.610000 -16.600000 83 F A 2 "PHE " " HA " 1 0 0 1 22.58 1239 83 + 1240 41 43.171000 18.690000 -18.820000 83 F A 2 "PHE " " HB3" 1 0 0 1 21.64 1240 83 + 1241 41 44.764000 18.209000 -19.370000 83 F A 2 "PHE " " HB2" 1 0 0 1 21.64 1241 83 + 1242 41 42.981000 20.294000 -16.857000 83 F A 2 "PHE " " HD1" 1 0 0 1 25.65 1242 83 + 1243 41 46.726000 19.452000 -18.701000 83 F A 2 "PHE " " HD2" 1 0 0 1 24.85 1243 83 + 1244 41 43.951000 22.316000 -15.853000 83 F A 2 "PHE " " HE1" 1 0 0 1 26.02 1244 83 + 1245 41 47.678000 21.456000 -17.684000 83 F A 2 "PHE " " HE2" 1 0 0 1 25.75 1245 83 + 1246 41 46.290000 22.899000 -16.269000 83 F A 2 "PHE " " HZ " 1 0 0 1 26.79 1246 83 + 1247 25 42.226000 15.830000 -17.660000 84 G A 2 "GLY " " N " 7 0 2 1 18.74 1247 84 + 1248 3 41.434000 14.678000 -18.044000 84 G A 2 "GLY " " CA " 6 0 2 1 17.98 1248 84 + 1249 2 40.392000 14.435000 -16.950000 84 G A 2 "GLY " " C " 6 0 2 1 20.72 1249 84 + 1250 15 40.108000 15.344000 -16.148000 84 G A 2 "GLY " " O " 8 0 2 1 18.19 1250 84 + 1251 43 41.779000 16.480000 -17.029000 84 G A 2 "GLY " " H " 1 0 2 1 18.74 1251 84 + 1252 41 42.081000 13.805000 -18.129000 84 G A 2 "GLY " " HA3" 1 0 2 1 17.98 1252 84 + 1253 41 40.928000 14.883000 -18.988000 84 G A 2 "GLY " " HA2" 1 0 2 1 17.98 1253 84 + 1254 25 39.752000 13.275000 -16.923000 85 S A 2 "SER " " N " 7 0 2 1 19.26 1254 85 + 1255 3 38.772000 12.941000 -15.907000 85 S A 2 "SER " " CA " 6 0 2 1 16.22 1255 85 + 1256 2 39.395000 11.998000 -14.912000 85 S A 2 "SER " " C " 6 0 2 1 16.49 1256 85 + 1257 15 40.375000 11.281000 -15.167000 85 S A 2 "SER " " O " 8 0 2 1 15.27 1257 85 + 1258 3 37.589000 12.270000 -16.504000 85 S A 2 "SER " " CB " 6 0 2 1 16.67 1258 85 + 1259 16 37.015000 13.093000 -17.485000 85 S A 2 "SER " " OG " 8 0 2 1 22.39 1259 85 + 1260 43 39.939000 12.579000 -17.630000 85 S A 2 "SER " " H " 1 0 2 1 19.26 1260 85 + 1261 41 38.454000 13.850000 -15.396000 85 S A 2 "SER " " HA " 1 0 2 1 16.22 1261 85 + 1262 41 36.854000 12.068000 -15.724000 85 S A 2 "SER " " HB3" 1 0 2 1 16.67 1262 85 + 1263 41 37.896000 11.327000 -16.956000 85 S A 2 "SER " " HB2" 1 0 2 1 16.67 1263 85 + 1264 42 36.740000 13.922000 -17.087000 85 S A 2 "SER " " HG " 1 0 2 1 22.39 1264 85 + 1265 25 38.843000 12.045000 -13.729000 86 Y A 2 "TYR " " N " 7 0 2 1 13.67 1265 86 + 1266 3 39.315000 11.279000 -12.597000 86 Y A 2 "TYR " " CA " 6 0 2 1 13.85 1266 86 + 1267 2 38.079000 10.637000 -11.949000 86 Y A 2 "TYR " " C " 6 0 2 1 15.29 1267 86 + 1268 15 36.997000 11.262000 -11.875000 86 Y A 2 "TYR " " O " 8 0 2 1 11.89 1268 86 + 1269 3 40.017000 12.201000 -11.586000 86 Y A 2 "TYR " " CB " 6 0 2 1 16.31 1269 86 + 1270 2 41.354000 12.735000 -12.087000 86 Y A 2 "TYR " " CG " 6 0 2 1 14.93 1270 86 + 1271 2 41.430000 13.890000 -12.867000 86 Y A 2 "TYR " " CD1" 6 0 2 1 15.53 1271 86 + 1272 2 42.486000 12.008000 -11.780000 86 Y A 2 "TYR " " CD2" 6 0 2 1 15.95 1272 86 + 1273 2 42.659000 14.320000 -13.360000 86 Y A 2 "TYR " " CE1" 6 0 2 1 16.19 1273 86 + 1274 2 43.709000 12.432000 -12.258000 86 Y A 2 "TYR " " CE2" 6 0 2 1 16.73 1274 86 + 1275 2 43.784000 13.571000 -13.041000 86 Y A 2 "TYR " " CZ " 6 0 2 1 17.54 1275 86 + 1276 16 45.033000 13.928000 -13.493000 86 Y A 2 "TYR " " OH " 8 0 2 1 18.46 1276 86 + 1277 43 38.043000 12.640000 -13.568000 86 Y A 2 "TYR " " H " 1 0 2 1 13.67 1277 86 + 1278 41 40.003000 10.504000 -12.934000 86 Y A 2 "TYR " " HA " 1 0 2 1 13.85 1278 86 + 1279 41 40.170000 11.663000 -10.651000 86 Y A 2 "TYR " " HB3" 1 0 2 1 16.31 1279 86 + 1280 41 39.361000 13.037000 -11.343000 86 Y A 2 "TYR " " HB2" 1 0 2 1 16.31 1280 86 + 1281 41 40.535000 14.452000 -13.089000 86 Y A 2 "TYR " " HD1" 1 0 2 1 15.53 1281 86 + 1282 41 42.408000 11.119000 -11.172000 86 Y A 2 "TYR " " HD2" 1 0 2 1 15.95 1282 86 + 1283 41 42.715000 15.210000 -13.969000 86 Y A 2 "TYR " " HE1" 1 0 2 1 16.19 1283 86 + 1284 41 44.604000 11.876000 -12.021000 86 Y A 2 "TYR " " HE2" 1 0 2 1 16.73 1284 86 + 1285 42 44.968000 14.734000 -14.010000 86 Y A 2 "TYR " " HH " 1 0 2 1 18.46 1285 86 + 1286 25 38.239000 9.397000 -11.508000 87 Y A 2 "TYR " " N " 7 0 2 1 13.15 1286 87 + 1287 3 37.171000 8.582000 -10.940000 87 Y A 2 "TYR " " CA " 6 0 2 1 15.32 1287 87 + 1288 2 37.646000 7.865000 -9.689000 87 Y A 2 "TYR " " C " 6 0 2 1 15.89 1288 87 + 1289 15 38.809000 7.426000 -9.670000 87 Y A 2 "TYR " " O " 8 0 2 1 15.83 1289 87 + 1290 3 36.684000 7.505000 -11.918000 87 Y A 2 "TYR " " CB " 6 0 2 1 12.36 1290 87 + 1291 2 36.002000 8.081000 -13.131000 87 Y A 2 "TYR " " CG " 6 0 2 1 14.56 1291 87 + 1292 2 34.654000 8.376000 -13.060000 87 Y A 2 "TYR " " CD1" 6 0 2 1 14.48 1292 87 + 1293 2 36.744000 8.332000 -14.277000 87 Y A 2 "TYR " " CD2" 6 0 2 1 15.31 1293 87 + 1294 2 34.026000 8.947000 -14.146000 87 Y A 2 "TYR " " CE1" 6 0 2 1 16.6 1294 87 + 1295 2 36.125000 8.912000 -15.369000 87 Y A 2 "TYR " " CE2" 6 0 2 1 17.03 1295 87 + 1296 2 34.768000 9.214000 -15.294000 87 Y A 2 "TYR " " CZ " 6 0 2 1 18.15 1296 87 + 1297 16 34.134000 9.799000 -16.370000 87 Y A 2 "TYR " " OH " 8 0 2 1 19.98 1297 87 + 1298 43 39.147000 8.958000 -11.554000 87 Y A 2 "TYR " " H " 1 0 2 1 13.15 1298 87 + 1299 41 36.333000 9.229000 -10.680000 87 Y A 2 "TYR " " HA " 1 0 2 1 15.32 1299 87 + 1300 41 35.999000 6.831000 -11.403000 87 Y A 2 "TYR " " HB3" 1 0 2 1 12.36 1300 87 + 1301 41 37.529000 6.894000 -12.234000 87 Y A 2 "TYR " " HB2" 1 0 2 1 12.36 1301 87 + 1302 41 34.101000 8.159000 -12.158000 87 Y A 2 "TYR " " HD1" 1 0 2 1 14.48 1302 87 + 1303 41 37.792000 8.075000 -14.309000 87 Y A 2 "TYR " " HD2" 1 0 2 1 15.31 1303 87 + 1304 41 32.973000 9.181000 -14.099000 87 Y A 2 "TYR " " HE1" 1 0 2 1 16.6 1304 87 + 1305 41 36.694000 9.124000 -16.262000 87 Y A 2 "TYR " " HE2" 1 0 2 1 17.03 1305 87 + 1306 42 33.240000 10.044000 -16.121000 87 Y A 2 "TYR " " HH " 1 0 2 1 19.98 1306 87 + 1307 25 36.802000 7.700000 -8.669000 88 C A 2 "CYS " " N " 7 0 2 1 13.37 1307 88 + 1308 3 37.168000 6.888000 -7.524000 88 C A 2 "CYS " " CA " 6 0 2 1 13.51 1308 88 + 1309 2 36.285000 5.661000 -7.609000 88 C A 2 "CYS " " C " 6 0 2 1 10.82 1309 88 + 1310 15 35.213000 5.682000 -8.221000 88 C A 2 "CYS " " O " 8 0 2 1 10.64 1310 88 + 1311 3 36.918000 7.556000 -6.150000 88 C A 2 "CYS " " CB " 6 0 2 1 15.02 1311 88 + 1312 49 35.177000 8.040000 -5.867000 88 C A 2 "CYS " " SG " 16 0 2 1 16.79 1312 88 + 1313 43 35.895000 8.143000 -8.688000 88 C A 2 "CYS " " H " 1 0 2 1 13.37 1313 88 + 1314 41 38.214000 6.593000 -7.603000 88 C A 2 "CYS " " HA " 1 0 2 1 13.51 1314 88 + 1315 41 37.557000 8.433000 -6.053000 88 C A 2 "CYS " " HB3" 1 0 2 1 15.02 1315 88 + 1316 41 37.239000 6.881000 -5.356000 88 C A 2 "CYS " " HB2" 1 0 2 1 15.02 1316 88 + 1317 25 36.770000 4.575000 -7.037000 89 Q A 2 "GLN " " N " 7 0 2 1 13.34 1317 89 + 1318 3 36.045000 3.315000 -7.018000 89 Q A 2 "GLN " " CA " 6 0 2 1 12.37 1318 89 + 1319 2 36.289000 2.622000 -5.655000 89 Q A 2 "GLN " " C " 6 0 2 1 12.55 1319 89 + 1320 15 37.449000 2.588000 -5.198000 89 Q A 2 "GLN " " O " 8 0 2 1 13.1 1320 89 + 1321 3 36.536000 2.370000 -8.126000 89 Q A 2 "GLN " " CB " 6 0 2 1 12.68 1321 89 + 1322 3 35.683000 1.098000 -8.212000 89 Q A 2 "GLN " " CG " 6 0 2 1 12.35 1322 89 + 1323 2 36.367000 -0.029000 -8.966000 89 Q A 2 "GLN " " CD " 6 0 2 1 18.13 1323 89 + 1324 15 37.463000 0.119000 -9.507000 89 Q A 2 "GLN " " OE1" 8 0 2 1 17.4 1324 89 + 1325 25 35.739000 -1.199000 -9.049000 89 Q A 2 "GLN " " NE2" 7 0 2 1 19.4 1325 89 + 1326 43 37.676000 4.601000 -6.591000 89 Q A 2 "GLN " " H " 1 0 2 1 13.34 1326 89 + 1327 41 34.979000 3.505000 -7.146000 89 Q A 2 "GLN " " HA " 1 0 2 1 12.37 1327 89 + 1328 41 37.574000 2.098000 -7.937000 89 Q A 2 "GLN " " HB3" 1 0 2 1 12.68 1328 89 + 1329 41 36.510000 2.890000 -9.084000 89 Q A 2 "GLN " " HB2" 1 0 2 1 12.68 1329 89 + 1330 41 34.733000 1.331000 -8.693000 89 Q A 2 "GLN " " HG3" 1 0 2 1 12.35 1330 89 + 1331 41 35.433000 0.761000 -7.206000 89 Q A 2 "GLN " " HG2" 1 0 2 1 12.35 1331 89 + 1332 43 36.168000 -1.968000 -9.544000 89 Q A 2 "GLN " "HE22" 1 0 2 1 19.4 1332 89 + 1333 43 34.834000 -1.318000 -8.617000 89 Q A 2 "GLN " "HE21" 1 0 2 1 19.4 1333 89 + 1334 25 35.277000 1.987000 -5.024000 90 H A 2 "HIS " " N " 7 0 2 1 9.66 1334 90 + 1335 3 35.541000 1.301000 -3.759000 90 H A 2 "HIS " " CA " 6 0 2 1 10.36 1335 90 + 1336 2 35.625000 -0.207000 -4.036000 90 H A 2 "HIS " " C " 6 0 2 1 11.31 1336 90 + 1337 15 34.995000 -0.702000 -4.987000 90 H A 2 "HIS " " O " 8 0 2 1 11.36 1337 90 + 1338 3 34.416000 1.589000 -2.688000 90 H A 2 "HIS " " CB " 6 0 2 1 10.1 1338 90 + 1339 2 33.073000 0.850000 -2.790000 90 H A 2 "HIS " " CG " 6 0 2 1 12.67 1339 90 + 1340 25 32.886000 -0.423000 -2.272000 90 H A 2 "HIS " " ND1" 7 0 2 1 14.26 1340 90 + 1341 2 31.914000 1.179000 -3.383000 90 H A 2 "HIS " " CD2" 6 0 2 1 9.23 1341 90 + 1342 2 31.669000 -0.785000 -2.581000 90 H A 2 "HIS " " CE1" 6 0 2 1 11.68 1342 90 + 1343 25 31.078000 0.174000 -3.247000 90 H A 2 "HIS " " NE2" 7 0 2 1 15.43 1343 90 + 1344 43 34.351000 1.989000 -5.426000 90 H A 2 "HIS " " H " 1 0 2 1 9.66 1344 90 + 1345 41 36.499000 1.642000 -3.366000 90 H A 2 "HIS " " HA " 1 0 2 1 10.36 1345 90 + 1346 41 34.229000 2.662000 -2.650000 90 H A 2 "HIS " " HB3" 1 0 2 1 10.1 1346 90 + 1347 41 34.829000 1.439000 -1.690000 90 H A 2 "HIS " " HB2" 1 0 2 1 10.1 1347 90 + 1348 41 31.813000 2.079000 -3.830000 90 H A 2 "HIS " " HD2" 1 0 2 1 9.23 1348 90 + 1349 41 31.326000 -1.693000 -2.302000 90 H A 2 "HIS " " HE1" 1 0 2 1 11.68 1349 90 + 1350 43 30.083000 0.240000 -3.661000 90 H A 2 "HIS " " HE2" 1 0 2 1 15.43 1350 90 + 1351 25 36.284000 -0.951000 -3.143000 91 F A 2 "PHE " " N " 7 0 0 1 9.91 1351 91 + 1352 3 36.400000 -2.398000 -3.250000 91 F A 2 "PHE " " CA " 6 0 0 1 12.51 1352 91 + 1353 2 36.005000 -3.111000 -1.936000 91 F A 2 "PHE " " C " 6 0 0 1 14.83 1353 91 + 1354 15 36.598000 -4.132000 -1.560000 91 F A 2 "PHE " " O " 8 0 0 1 10.52 1354 91 + 1355 3 37.854000 -2.755000 -3.627000 91 F A 2 "PHE " " CB " 6 0 0 1 13.75 1355 91 + 1356 2 38.199000 -2.498000 -5.090000 91 F A 2 "PHE " " CG " 6 0 0 1 14.48 1356 91 + 1357 2 38.637000 -1.255000 -5.522000 91 F A 2 "PHE " " CD1" 6 0 0 1 14.79 1357 91 + 1358 2 38.115000 -3.541000 -5.984000 91 F A 2 "PHE " " CD2" 6 0 0 1 14.07 1358 91 + 1359 2 38.982000 -1.064000 -6.850000 91 F A 2 "PHE " " CE1" 6 0 0 1 16.35 1359 91 + 1360 2 38.460000 -3.346000 -7.303000 91 F A 2 "PHE " " CE2" 6 0 0 1 15.81 1360 91 + 1361 2 38.898000 -2.116000 -7.746000 91 F A 2 "PHE " " CZ " 6 0 0 1 14.87 1361 91 + 1362 43 36.730000 -0.512000 -2.350000 91 F A 2 "PHE " " H " 1 0 0 1 9.91 1362 91 + 1363 41 35.739000 -2.743000 -4.045000 91 F A 2 "PHE " " HA " 1 0 0 1 12.51 1363 91 + 1364 41 38.042000 -3.802000 -3.390000 91 F A 2 "PHE " " HB3" 1 0 0 1 13.75 1364 91 + 1365 41 38.540000 -2.196000 -2.990000 91 F A 2 "PHE " " HB2" 1 0 0 1 13.75 1365 91 + 1366 41 38.709000 -0.435000 -4.823000 91 F A 2 "PHE " " HD1" 1 0 0 1 14.79 1366 91 + 1367 41 37.779000 -4.512000 -5.651000 91 F A 2 "PHE " " HD2" 1 0 0 1 14.07 1367 91 + 1368 41 39.317000 -0.094000 -7.187000 91 F A 2 "PHE " " HE1" 1 0 0 1 16.35 1368 91 + 1369 41 38.389000 -4.163000 -8.006000 91 F A 2 "PHE " " HE2" 1 0 0 1 15.81 1369 91 + 1370 41 39.174000 -1.968000 -8.780000 91 F A 2 "PHE " " HZ " 1 0 0 1 14.87 1370 91 + 1371 25 34.975000 -2.625000 -1.231000 92 W A 2 "TRP " " N " 7 0 0 1 12.83 1371 92 + 1372 3 34.588000 -3.248000 0.032000 92 W A 2 "TRP " " CA " 6 0 0 1 13.64 1372 92 + 1373 2 33.392000 -4.122000 -0.328000 92 W A 2 "TRP " " C " 6 0 0 1 12.38 1373 92 + 1374 15 32.313000 -3.612000 -0.661000 92 W A 2 "TRP " " O " 8 0 0 1 12.61 1374 92 + 1375 3 34.196000 -2.197000 1.072000 92 W A 2 "TRP " " CB " 6 0 0 1 14.42 1375 92 + 1376 2 33.865000 -2.861000 2.409000 92 W A 2 "TRP " " CG " 6 0 0 1 15.78 1376 92 + 1377 2 32.575000 -2.895000 2.876000 92 W A 2 "TRP " " CD1" 6 0 0 1 16.68 1377 92 + 1378 2 34.753000 -3.495000 3.256000 92 W A 2 "TRP " " CD2" 6 0 0 1 15.65 1378 92 + 1379 25 32.639000 -3.548000 4.017000 92 W A 2 "TRP " " NE1" 7 0 0 1 16.81 1379 92 + 1380 2 33.902000 -3.920000 4.276000 92 W A 2 "TRP " " CE2" 6 0 0 1 16.56 1380 92 + 1381 2 36.112000 -3.766000 3.319000 92 W A 2 "TRP " " CE3" 6 0 0 1 14.23 1381 92 + 1382 2 34.397000 -4.616000 5.367000 92 W A 2 "TRP " " CZ2" 6 0 0 1 13.14 1382 92 + 1383 2 36.604000 -4.459000 4.408000 92 W A 2 "TRP " " CZ3" 6 0 0 1 16.62 1383 92 + 1384 2 35.762000 -4.884000 5.428000 92 W A 2 "TRP " " CH2" 6 0 0 1 14.42 1384 92 + 1385 43 34.462000 -1.824000 -1.572000 92 W A 2 "TRP " " H " 1 0 0 1 12.83 1385 92 + 1386 41 35.403000 -3.865000 0.411000 92 W A 2 "TRP " " HA " 1 0 0 1 13.64 1386 92 + 1387 41 33.327000 -1.642000 0.718000 92 W A 2 "TRP " " HB3" 1 0 0 1 14.42 1387 92 + 1388 41 35.020000 -1.497000 1.209000 92 W A 2 "TRP " " HB2" 1 0 0 1 14.42 1388 92 + 1389 41 31.782000 -2.434000 2.306000 92 W A 2 "TRP " " HD1" 1 0 0 1 16.68 1389 92 + 1390 43 31.800000 -3.702000 4.558000 92 W A 2 "TRP " " HE1" 1 0 0 1 16.81 1390 92 + 1391 41 36.766000 -3.436000 2.525000 92 W A 2 "TRP " " HE3" 1 0 0 1 14.23 1391 92 + 1392 41 33.727000 -4.940000 6.150000 92 W A 2 "TRP " " HZ2" 1 0 0 1 13.14 1392 92 + 1393 41 37.659000 -4.679000 4.476000 92 W A 2 "TRP " " HZ3" 1 0 0 1 16.62 1393 92 + 1394 41 36.169000 -5.424000 6.270000 92 W A 2 "TRP " " HH2" 1 0 0 1 14.42 1394 92 + 1395 25 33.613000 -5.441000 -0.246000 93 S A 2 "SER " " N " 7 0 0 1 11.08 1395 93 + 1396 3 32.671000 -6.448000 -0.662000 93 S A 2 "SER " " CA " 6 0 0 1 12.18 1396 93 + 1397 2 32.116000 -6.174000 -2.056000 93 S A 2 "SER " " C " 6 0 0 1 12.93 1397 93 + 1398 15 32.818000 -5.561000 -2.881000 93 S A 2 "SER " " O " 8 0 0 1 17 1398 93 + 1399 3 31.596000 -6.502000 0.427000 93 S A 2 "SER " " CB " 6 0 0 1 14.32 1399 93 + 1400 16 30.814000 -7.660000 0.237000 93 S A 2 "SER " " OG " 8 0 0 1 17.58 1400 93 + 1401 43 34.487000 -5.784000 0.127000 93 S A 2 "SER " " H " 1 0 0 1 11.08 1401 93 + 1402 41 33.185000 -7.409000 -0.682000 93 S A 2 "SER " " HA " 1 0 0 1 12.18 1402 93 + 1403 41 30.961000 -5.619000 0.354000 93 S A 2 "SER " " HB3" 1 0 0 1 14.32 1403 93 + 1404 41 32.073000 -6.543000 1.406000 93 S A 2 "SER " " HB2" 1 0 0 1 14.32 1404 93 + 1405 42 30.136000 -7.704000 0.915000 93 S A 2 "SER " " HG " 1 0 0 1 17.58 1405 93 + 1406 25 30.898000 -6.583000 -2.384000 94 T A 2 "THR " " N " 7 0 0 1 12.42 1406 94 + 1407 3 30.324000 -6.341000 -3.696000 94 T A 2 "THR " " CA " 6 0 0 1 17.88 1407 94 + 1408 2 28.883000 -5.856000 -3.505000 94 T A 2 "THR " " C " 6 0 0 1 18.49 1408 94 + 1409 15 28.318000 -6.113000 -2.442000 94 T A 2 "THR " " O " 8 0 0 1 16.85 1409 94 + 1410 3 30.345000 -7.628000 -4.610000 94 T A 2 "THR " " CB " 6 0 0 1 18.13 1410 94 + 1411 16 29.720000 -8.697000 -3.904000 94 T A 2 "THR " " OG1" 8 0 0 1 24.31 1411 94 + 1412 3 31.765000 -8.021000 -5.027000 94 T A 2 "THR " " CG2" 6 0 0 1 20.85 1412 94 + 1413 43 30.334000 -7.082000 -1.711000 94 T A 2 "THR " " H " 1 0 0 1 12.42 1413 94 + 1414 41 30.895000 -5.554000 -4.188000 94 T A 2 "THR " " HA " 1 0 0 1 17.88 1414 94 + 1415 41 29.765000 -7.422000 -5.510000 94 T A 2 "THR " " HB " 1 0 0 1 18.13 1415 94 + 1416 42 29.726000 -9.487000 -4.449000 94 T A 2 "THR " " HG1" 1 0 0 1 24.31 1416 94 + 1417 41 31.727000 -8.912000 -5.654000 94 T A 2 "THR " "HG21" 1 0 0 1 20.85 1417 94 + 1418 41 32.220000 -7.203000 -5.586000 94 T A 2 "THR " "HG22" 1 0 0 1 20.85 1418 94 + 1419 41 32.361000 -8.229000 -4.138000 94 T A 2 "THR " "HG23" 1 0 0 1 20.85 1419 94 + 1420 25 28.206000 -5.134000 -4.404000 95 P A 2 "PRO " " N " 7 0 0 1 19.73 1420 95 + 1421 3 28.733000 -4.610000 -5.654000 95 P A 2 "PRO " " CA " 6 0 0 1 17.6 1421 95 + 1422 2 29.727000 -3.487000 -5.464000 95 P A 2 "PRO " " C " 6 0 0 1 17.28 1422 95 + 1423 15 29.634000 -2.740000 -4.485000 95 P A 2 "PRO " " O " 8 0 0 1 17.88 1423 95 + 1424 3 27.508000 -4.183000 -6.397000 95 P A 2 "PRO " " CB " 6 0 0 1 20.09 1424 95 + 1425 3 26.656000 -3.650000 -5.267000 95 P A 2 "PRO " " CG " 6 0 0 1 19.84 1425 95 + 1426 3 26.838000 -4.663000 -4.175000 95 P A 2 "PRO " " CD " 6 0 0 1 17.93 1426 95 + 1427 41 29.215000 -5.420000 -6.202000 95 P A 2 "PRO " " HA " 1 0 0 1 17.6 1427 95 + 1428 41 27.025000 -5.062000 -6.824000 95 P A 2 "PRO " " HB3" 1 0 0 1 20.09 1428 95 + 1429 41 27.765000 -3.363000 -7.068000 95 P A 2 "PRO " " HB2" 1 0 0 1 20.09 1429 95 + 1430 41 25.611000 -3.639000 -5.578000 95 P A 2 "PRO " " HG3" 1 0 0 1 19.84 1430 95 + 1431 41 27.054000 -2.690000 -4.938000 95 P A 2 "PRO " " HG2" 1 0 0 1 19.84 1431 95 + 1432 41 26.788000 -4.162000 -3.208000 95 P A 2 "PRO " " HD2" 1 0 0 1 17.93 1432 95 + 1433 41 26.143000 -5.488000 -4.331000 95 P A 2 "PRO " " HD3" 1 0 0 1 17.93 1433 95 + 1434 25 30.705000 -3.377000 -6.370000 96 R A 2 "ARG " " N " 7 0 0 1 16.51 1434 96 + 1435 3 31.615000 -2.235000 -6.369000 96 R A 2 "ARG " " CA " 6 0 0 1 15.6 1435 96 + 1436 2 30.924000 -1.065000 -7.064000 96 R A 2 "ARG " " C " 6 0 0 1 14.38 1436 96 + 1437 15 30.040000 -1.298000 -7.887000 96 R A 2 "ARG " " O " 8 0 0 1 12.49 1437 96 + 1438 3 32.892000 -2.535000 -7.123000 96 R A 2 "ARG " " CB " 6 0 0 1 13.13 1438 96 + 1439 3 33.863000 -3.383000 -6.337000 96 R A 2 "ARG " " CG " 6 0 0 1 14.12 1439 96 + 1440 3 33.463000 -4.858000 -6.281000 96 R A 2 "ARG " " CD " 6 0 0 1 15.02 1440 96 + 1441 25 34.500000 -5.631000 -5.616000 96 R A 2 "ARG " " NE " 7 0 0 1 14.62 1441 96 + 1442 2 35.581000 -6.057000 -6.297000 96 R A 2 "ARG " " CZ " 6 0 0 1 13.4 1442 96 + 1443 25 35.796000 -5.711000 -7.573000 96 R A 2 "ARG " " NH1" 7 0 0 1 12.29 1443 96 + 1444 31 36.507000 -6.761000 -5.663000 96 R A 2 "ARG " " NH2" 7 1 0 1 11.8 1444 96 + 1445 43 30.825000 -4.092000 -7.073000 96 R A 2 "ARG " " H " 1 0 0 1 16.51 1445 96 + 1446 41 31.854000 -1.960000 -5.342000 96 R A 2 "ARG " " HA " 1 0 0 1 15.6 1446 96 + 1447 41 33.374000 -1.599000 -7.404000 96 R A 2 "ARG " " HB3" 1 0 0 1 13.13 1447 96 + 1448 41 32.650000 -3.036000 -8.060000 96 R A 2 "ARG " " HB2" 1 0 0 1 13.13 1448 96 + 1449 41 33.947000 -2.992000 -5.323000 96 R A 2 "ARG " " HG3" 1 0 0 1 14.12 1449 96 + 1450 41 34.858000 -3.294000 -6.774000 96 R A 2 "ARG " " HG2" 1 0 0 1 14.12 1450 96 + 1451 41 33.323000 -5.235000 -7.294000 96 R A 2 "ARG " " HD3" 1 0 0 1 15.02 1451 96 + 1452 41 32.526000 -4.960000 -5.733000 96 R A 2 "ARG " " HD2" 1 0 0 1 15.02 1452 96 + 1453 43 34.404000 -5.848000 -4.634000 96 R A 2 "ARG " " HE " 1 0 0 1 14.62 1453 96 + 1454 43 36.617000 -6.047000 -8.056000 96 R A 2 "ARG " "HH12" 1 0 0 1 12.29 1454 96 + 1455 43 35.137000 -5.114000 -8.052000 96 R A 2 "ARG " "HH11" 1 0 0 1 12.29 1455 96 + 1456 44 37.323000 -7.087000 -6.161000 96 R A 2 "ARG " "HH22" 1 0 0 1 11.8 1456 96 + 1457 44 36.397000 -6.972000 -4.681000 96 R A 2 "ARG " "HH21" 1 0 0 1 11.8 1457 96 + 1458 25 31.205000 0.194000 -6.726000 97 T A 2 "THR " " N " 7 0 0 1 13.54 1458 97 + 1459 3 30.623000 1.324000 -7.439000 97 T A 2 "THR " " CA " 6 0 0 1 14.54 1459 97 + 1460 2 31.735000 2.341000 -7.674000 97 T A 2 "THR " " C " 6 0 0 1 11.63 1460 97 + 1461 15 32.801000 2.238000 -7.053000 97 T A 2 "THR " " O " 8 0 0 1 12.31 1461 97 + 1462 3 29.462000 2.028000 -6.641000 97 T A 2 "THR " " CB " 6 0 0 1 12.67 1462 97 + 1463 16 29.994000 2.482000 -5.392000 97 T A 2 "THR " " OG1" 8 0 0 1 14.77 1463 97 + 1464 3 28.285000 1.101000 -6.420000 97 T A 2 "THR " " CG2" 6 0 0 1 13.14 1464 97 + 1465 43 31.835000 0.382000 -5.959000 97 T A 2 "THR " " H " 1 0 0 1 13.54 1465 97 + 1466 41 30.241000 0.982000 -8.401000 97 T A 2 "THR " " HA " 1 0 0 1 14.54 1466 97 + 1467 41 29.122000 2.893000 -7.210000 97 T A 2 "THR " " HB " 1 0 0 1 12.67 1467 97 + 1468 42 29.274000 2.652000 -4.780000 97 T A 2 "THR " " HG1" 1 0 0 1 14.77 1468 97 + 1469 41 27.507000 1.626000 -5.866000 97 T A 2 "THR " "HG21" 1 0 0 1 13.14 1469 97 + 1470 41 27.890000 0.779000 -7.383000 97 T A 2 "THR " "HG22" 1 0 0 1 13.14 1470 97 + 1471 41 28.610000 0.230000 -5.851000 97 T A 2 "THR " "HG23" 1 0 0 1 13.14 1471 97 + 1472 25 31.452000 3.293000 -8.569000 98 F A 2 "PHE " " N " 7 0 0 1 12.86 1472 98 + 1473 3 32.344000 4.385000 -8.926000 98 F A 2 "PHE " " CA " 6 0 0 1 14.05 1473 98 + 1474 2 31.744000 5.710000 -8.486000 98 F A 2 "PHE " " C " 6 0 0 1 13.23 1474 98 + 1475 15 30.514000 5.869000 -8.472000 98 F A 2 "PHE " " O " 8 0 0 1 14.2 1475 98 + 1476 3 32.544000 4.479000 -10.455000 98 F A 2 "PHE " " CB " 6 0 0 1 12.75 1476 98 + 1477 2 33.402000 3.376000 -11.039000 98 F A 2 "PHE " " CG " 6 0 0 1 13.11 1477 98 + 1478 2 32.801000 2.209000 -11.465000 98 F A 2 "PHE " " CD1" 6 0 0 1 13.4 1478 98 + 1479 2 34.767000 3.552000 -11.133000 98 F A 2 "PHE " " CD2" 6 0 0 1 12.68 1479 98 + 1480 2 33.572000 1.198000 -11.999000 98 F A 2 "PHE " " CE1" 6 0 0 1 13.55 1480 98 + 1481 2 35.530000 2.534000 -11.668000 98 F A 2 "PHE " " CE2" 6 0 0 1 13.43 1481 98 + 1482 2 34.936000 1.363000 -12.095000 98 F A 2 "PHE " " CZ " 6 0 0 1 11.05 1482 98 + 1483 43 30.565000 3.285000 -9.051000 98 F A 2 "PHE " " H " 1 0 0 1 12.86 1483 98 + 1484 41 33.309000 4.242000 -8.440000 98 F A 2 "PHE " " HA " 1 0 0 1 14.05 1484 98 + 1485 41 32.981000 5.446000 -10.703000 98 F A 2 "PHE " " HB3" 1 0 0 1 12.75 1485 98 + 1486 41 31.571000 4.479000 -10.947000 98 F A 2 "PHE " " HB2" 1 0 0 1 12.75 1486 98 + 1487 41 31.731000 2.090000 -11.380000 98 F A 2 "PHE " " HD1" 1 0 0 1 13.4 1487 98 + 1488 41 35.218000 4.472000 -10.791000 98 F A 2 "PHE " " HD2" 1 0 0 1 12.68 1488 98 + 1489 41 33.106000 0.285000 -12.338000 98 F A 2 "PHE " " HE1" 1 0 0 1 13.55 1489 98 + 1490 41 36.600000 2.650000 -11.755000 98 F A 2 "PHE " " HE2" 1 0 0 1 13.43 1490 98 + 1491 41 35.548000 0.574000 -12.506000 98 F A 2 "PHE " " HZ " 1 0 0 1 11.05 1491 98 + 1492 25 32.617000 6.680000 -8.270000 99 G A 2 "GLY " " N " 7 0 0 1 11.97 1492 99 + 1493 3 32.220000 8.052000 -8.032000 99 G A 2 "GLY " " CA " 6 0 0 1 14.2 1493 99 + 1494 2 31.755000 8.626000 -9.372000 99 G A 2 "GLY " " C " 6 0 0 1 15.53 1494 99 + 1495 15 32.049000 8.040000 -10.426000 99 G A 2 "GLY " " O " 8 0 0 1 16.17 1495 99 + 1496 43 33.606000 6.477000 -8.267000 99 G A 2 "GLY " " H " 1 0 0 1 11.97 1496 99 + 1497 41 33.078000 8.620000 -7.672000 99 G A 2 "GLY " " HA3" 1 0 0 1 14.2 1497 99 + 1498 41 31.393000 8.072000 -7.322000 99 G A 2 "GLY " " HA2" 1 0 0 1 14.2 1498 99 + 1499 25 31.072000 9.772000 -9.401000 100 G A 2 "GLY " " N " 7 0 0 1 12.64 1499 100 + 1500 3 30.534000 10.320000 -10.627000 100 G A 2 "GLY " " CA " 6 0 0 1 14.54 1500 100 + 1501 2 31.594000 10.965000 -11.546000 100 G A 2 "GLY " " C " 6 0 0 1 14.22 1501 100 + 1502 15 31.238000 11.338000 -12.674000 100 G A 2 "GLY " " O " 8 0 0 1 16.64 1502 100 + 1503 43 30.915000 10.288000 -8.547000 100 G A 2 "GLY " " H " 1 0 0 1 12.64 1503 100 + 1504 41 29.767000 11.057000 -10.388000 100 G A 2 "GLY " " HA3" 1 0 0 1 14.54 1504 100 + 1505 41 30.010000 9.536000 -11.174000 100 G A 2 "GLY " " HA2" 1 0 0 1 14.54 1505 100 + 1506 25 32.862000 11.154000 -11.151000 101 G A 2 "GLY " " N " 7 0 0 1 11.09 1506 101 + 1507 3 33.832000 11.728000 -12.066000 101 G A 2 "GLY " " CA " 6 0 0 1 13.32 1507 101 + 1508 2 34.061000 13.214000 -11.843000 101 G A 2 "GLY " " C " 6 0 0 1 16.33 1508 101 + 1509 15 33.152000 13.961000 -11.457000 101 G A 2 "GLY " " O " 8 0 0 1 18.02 1509 101 + 1510 43 33.143000 10.897000 -10.216000 101 G A 2 "GLY " " H " 1 0 0 1 11.09 1510 101 + 1511 41 33.504000 11.562000 -13.092000 101 G A 2 "GLY " " HA3" 1 0 0 1 13.32 1511 101 + 1512 41 34.779000 11.197000 -11.969000 101 G A 2 "GLY " " HA2" 1 0 0 1 13.32 1512 101 + 1513 25 35.295000 13.661000 -12.055000 102 T A 2 "THR " " N " 7 0 2 1 15.14 1513 102 + 1514 3 35.661000 15.059000 -11.990000 102 T A 2 "THR " " CA " 6 0 2 1 15.77 1514 102 + 1515 2 36.431000 15.346000 -13.277000 102 T A 2 "THR " " C " 6 0 2 1 17.86 1515 102 + 1516 15 37.411000 14.642000 -13.590000 102 T A 2 "THR " " O " 8 0 2 1 16.53 1516 102 + 1517 3 36.585000 15.375000 -10.769000 102 T A 2 "THR " " CB " 6 0 2 1 15.65 1517 102 + 1518 16 35.897000 15.031000 -9.572000 102 T A 2 "THR " " OG1" 8 0 2 1 17.73 1518 102 + 1519 3 37.013000 16.861000 -10.746000 102 T A 2 "THR " " CG2" 6 0 2 1 12.05 1519 102 + 1520 43 36.037000 13.012000 -12.275000 102 T A 2 "THR " " H " 1 0 2 1 15.14 1520 102 + 1521 41 34.764000 15.677000 -11.947000 102 T A 2 "THR " " HA " 1 0 2 1 15.77 1521 102 + 1522 41 37.480000 14.758000 -10.843000 102 T A 2 "THR " " HB " 1 0 2 1 15.65 1522 102 + 1523 42 35.219000 15.687000 -9.392000 102 T A 2 "THR " " HG1" 1 0 2 1 17.73 1523 102 + 1524 41 37.654000 17.042000 -9.883000 102 T A 2 "THR " "HG21" 1 0 2 1 12.05 1524 102 + 1525 41 37.559000 17.097000 -11.659000 102 T A 2 "THR " "HG22" 1 0 2 1 12.05 1525 102 + 1526 41 36.128000 17.494000 -10.679000 102 T A 2 "THR " "HG23" 1 0 2 1 12.05 1526 102 + 1527 25 35.983000 16.348000 -14.033000 103 K A 2 "LYS " " N " 7 0 2 1 15.05 1527 103 + 1528 3 36.712000 16.808000 -15.200000 103 K A 2 "LYS " " CA " 6 0 2 1 17.67 1528 103 + 1529 2 37.676000 17.916000 -14.797000 103 K A 2 "LYS " " C " 6 0 2 1 18.11 1529 103 + 1530 15 37.264000 18.985000 -14.328000 103 K A 2 "LYS " " O " 8 0 2 1 19.17 1530 103 + 1531 3 35.781000 17.381000 -16.239000 103 K A 2 "LYS " " CB " 6 0 2 1 23.74 1531 103 + 1532 3 34.594000 16.498000 -16.574000 103 K A 2 "LYS " " CG " 6 0 2 1 35.11 1532 103 + 1533 3 33.734000 17.185000 -17.630000 103 K A 2 "LYS " " CD " 6 0 2 1 43.63 1533 103 + 1534 3 32.465000 16.364000 -17.930000 103 K A 2 "LYS " " CE " 6 0 2 1 50.04 1534 103 + 1535 32 32.730000 15.086000 -18.594000 103 K A 2 "LYS " " NZ " 7 1 2 1 54.9 1535 103 + 1536 43 35.115000 16.808000 -13.799000 103 K A 2 "LYS " " H " 1 0 2 1 15.05 1536 103 + 1537 41 37.271000 15.977000 -15.631000 103 K A 2 "LYS " " HA " 1 0 2 1 17.67 1537 103 + 1538 41 36.342000 17.592000 -17.149000 103 K A 2 "LYS " " HB3" 1 0 2 1 23.74 1538 103 + 1539 41 35.424000 18.355000 -15.905000 103 K A 2 "LYS " " HB2" 1 0 2 1 23.74 1539 103 + 1540 41 34.001000 16.331000 -15.675000 103 K A 2 "LYS " " HG3" 1 0 2 1 35.11 1540 103 + 1541 41 34.950000 15.543000 -16.961000 103 K A 2 "LYS " " HG2" 1 0 2 1 35.11 1541 103 + 1542 41 34.312000 17.307000 -18.546000 103 K A 2 "LYS " " HD3" 1 0 2 1 43.63 1542 103 + 1543 41 33.450000 18.177000 -17.278000 103 K A 2 "LYS " " HD2" 1 0 2 1 43.63 1543 103 + 1544 41 31.788000 16.957000 -18.544000 103 K A 2 "LYS " " HE3" 1 0 2 1 50.04 1544 103 + 1545 41 31.923000 16.184000 -17.002000 103 K A 2 "LYS " " HE2" 1 0 2 1 50.04 1545 103 + 1546 44 31.856000 14.658000 -18.862000 103 K A 2 "LYS " " HZ1" 1 0 2 1 54.9 1546 103 + 1547 44 33.293000 15.244000 -19.417000 103 K A 2 "LYS " " HZ2" 1 0 2 1 54.9 1547 103 + 1548 44 33.224000 14.473000 -17.961000 103 K A 2 "LYS " " HZ3" 1 0 2 1 54.9 1548 103 + 1549 25 38.969000 17.700000 -14.956000 104 L A 2 "LEU " " N " 7 0 2 1 18.81 1549 104 + 1550 3 39.987000 18.692000 -14.654000 104 L A 2 "LEU " " CA " 6 0 2 1 21.2 1550 104 + 1551 2 40.321000 19.338000 -15.987000 104 L A 2 "LEU " " C " 6 0 2 1 21.52 1551 104 + 1552 15 40.765000 18.665000 -16.924000 104 L A 2 "LEU " " O " 8 0 2 1 20.73 1552 104 + 1553 3 41.216000 18.001000 -14.023000 104 L A 2 "LEU " " CB " 6 0 2 1 21.47 1553 104 + 1554 3 42.472000 18.827000 -13.690000 104 L A 2 "LEU " " CG " 6 0 2 1 22.14 1554 104 + 1555 3 42.171000 20.020000 -12.795000 104 L A 2 "LEU " " CD1" 6 0 2 1 24.05 1555 104 + 1556 3 43.417000 17.950000 -12.925000 104 L A 2 "LEU " " CD2" 6 0 2 1 23.03 1556 104 + 1557 43 39.293000 16.809000 -15.304000 104 L A 2 "LEU " " H " 1 0 2 1 18.81 1557 104 + 1558 41 39.587000 19.439000 -13.968000 104 L A 2 "LEU " " HA " 1 0 2 1 21.2 1558 104 + 1559 41 41.504000 17.153000 -14.645000 104 L A 2 "LEU " " HB3" 1 0 2 1 21.47 1559 104 + 1560 41 40.900000 17.462000 -13.130000 104 L A 2 "LEU " " HB2" 1 0 2 1 21.47 1560 104 + 1561 41 42.946000 19.166000 -14.611000 104 L A 2 "LEU " " HG " 1 0 2 1 22.14 1561 104 + 1562 41 43.093000 20.565000 -12.593000 104 L A 2 "LEU " "HD11" 1 0 2 1 24.05 1562 104 + 1563 41 41.461000 20.680000 -13.294000 104 L A 2 "LEU " "HD12" 1 0 2 1 24.05 1563 104 + 1564 41 41.743000 19.671000 -11.855000 104 L A 2 "LEU " "HD13" 1 0 2 1 24.05 1564 104 + 1565 41 44.316000 18.514000 -12.677000 104 L A 2 "LEU " "HD21" 1 0 2 1 23.03 1565 104 + 1566 41 42.937000 17.611000 -12.007000 104 L A 2 "LEU " "HD22" 1 0 2 1 23.03 1566 104 + 1567 41 43.686000 17.087000 -13.534000 104 L A 2 "LEU " "HD23" 1 0 2 1 23.03 1567 104 + 1568 25 40.073000 20.632000 -16.115000 105 E A 2 "GLU " " N " 7 0 2 1 23.76 1568 105 + 1569 3 40.314000 21.316000 -17.366000 105 E A 2 "GLU " " CA " 6 0 2 1 28.52 1569 105 + 1570 2 41.145000 22.586000 -17.201000 105 E A 2 "GLU " " C " 6 0 2 1 29.32 1570 105 + 1571 15 41.299000 23.132000 -16.094000 105 E A 2 "GLU " " O " 8 0 2 1 23.45 1571 105 + 1572 3 38.976000 21.596000 -18.000000 105 E A 2 "GLU " " CB " 6 0 2 1 33.79 1572 105 + 1573 3 37.972000 22.269000 -17.105000 105 E A 2 "GLU " " CG " 6 0 2 1 43.61 1573 105 + 1574 2 36.572000 21.987000 -17.603000 105 E A 2 "GLU " " CD " 6 0 2 1 49.17 1574 105 + 1575 15 36.177000 22.626000 -18.578000 105 E A 2 "GLU " " OE1" 8 0 2 1 52.67 1575 105 + 1576 18 35.898000 21.127000 -17.028000 105 E A 2 "GLU " " OE2" 8 -1 2 1 51.89 1576 105 + 1577 43 39.710000 21.156000 -15.332000 105 E A 2 "GLU " " H " 1 0 2 1 23.76 1577 105 + 1578 41 40.862000 20.638000 -18.021000 105 E A 2 "GLU " " HA " 1 0 2 1 28.52 1578 105 + 1579 41 38.554000 20.665000 -18.378000 105 E A 2 "GLU " " HB3" 1 0 2 1 33.79 1579 105 + 1580 41 39.121000 22.199000 -18.896000 105 E A 2 "GLU " " HB2" 1 0 2 1 33.79 1580 105 + 1581 41 38.148000 23.345000 -17.106000 105 E A 2 "GLU " " HG3" 1 0 2 1 43.61 1581 105 + 1582 41 38.079000 21.889000 -16.089000 105 E A 2 "GLU " " HG2" 1 0 2 1 43.61 1582 105 + 1583 25 41.788000 22.926000 -18.324000 106 I A 2 "ILE " " N " 7 0 0 1 31.21 1583 106 + 1584 3 42.714000 24.050000 -18.431000 106 I A 2 "ILE " " CA " 6 0 0 1 36.73 1584 106 + 1585 2 42.032000 25.398000 -18.209000 106 I A 2 "ILE " " C " 6 0 0 1 38.55 1585 106 + 1586 15 40.877000 25.627000 -18.581000 106 I A 2 "ILE " " O " 8 0 0 1 38.53 1586 106 + 1587 3 43.413000 23.991000 -19.841000 106 I A 2 "ILE " " CB " 6 0 0 1 38.78 1587 106 + 1588 3 44.106000 22.646000 -20.042000 106 I A 2 "ILE " " CG1" 6 0 0 1 42.03 1588 106 + 1589 3 44.532000 25.016000 -19.931000 106 I A 2 "ILE " " CG2" 6 0 0 1 39.1 1589 106 + 1590 3 44.427000 22.195000 -21.493000 106 I A 2 "ILE " " CD1" 6 0 0 1 45.1 1590 106 + 1591 43 41.646000 22.391000 -19.169000 106 I A 2 "ILE " " H " 1 0 0 1 31.21 1591 106 + 1592 41 43.482000 23.930000 -17.667000 106 I A 2 "ILE " " HA " 1 0 0 1 36.73 1592 106 + 1593 41 42.682000 24.160000 -20.632000 106 I A 2 "ILE " " HB " 1 0 0 1 38.78 1593 106 + 1594 41 43.525000 21.868000 -19.547000 106 I A 2 "ILE " "HG13" 1 0 0 1 42.03 1594 106 + 1595 41 45.022000 22.625000 -19.451000 106 I A 2 "ILE " "HG12" 1 0 0 1 42.03 1595 106 + 1596 41 45.001000 24.958000 -20.913000 106 I A 2 "ILE " "HG21" 1 0 0 1 39.1 1596 106 + 1597 41 44.123000 26.015000 -19.783000 106 I A 2 "ILE " "HG22" 1 0 0 1 39.1 1597 106 + 1598 41 45.276000 24.811000 -19.161000 106 I A 2 "ILE " "HG23" 1 0 0 1 39.1 1598 106 + 1599 41 44.918000 21.222000 -21.471000 106 I A 2 "ILE " "HD11" 1 0 0 1 45.1 1599 106 + 1600 41 43.502000 22.122000 -22.064000 106 I A 2 "ILE " "HD12" 1 0 0 1 45.1 1600 106 + 1601 41 45.087000 22.924000 -21.963000 106 I A 2 "ILE " "HD13" 1 0 0 1 45.1 1601 106 + 1602 25 42.735000 26.204000 -17.431000 107 K A 2 "LYS " " N " 7 0 0 1 43.78 1602 107 + 1603 3 42.393000 27.584000 -17.197000 107 K A 2 "LYS " " CA " 6 0 0 1 47.51 1603 107 + 1604 2 43.517000 28.261000 -18.000000 107 K A 2 "LYS " " C " 6 0 0 1 50.3 1604 107 + 1605 15 43.168000 28.883000 -19.005000 107 K A 2 "LYS " " O " 8 0 0 1 50.86 1605 107 + 1606 3 42.508000 27.932000 -15.714000 107 K A 2 "LYS " " CB " 6 0 0 1 47.34 1606 107 + 1607 3 42.190000 29.384000 -15.448000 107 K A 2 "LYS " " CG " 6 0 0 1 50.47 1607 107 + 1608 3 42.848000 29.875000 -14.174000 107 K A 2 "LYS " " CD " 6 0 0 1 54.12 1608 107 + 1609 3 42.091000 29.419000 -12.942000 107 K A 2 "LYS " " CE " 6 0 0 1 56.15 1609 107 + 1610 32 42.816000 29.846000 -11.760000 107 K A 2 "LYS " " NZ " 7 1 0 1 59.01 1610 107 + 1611 18 44.715000 28.109000 -17.658000 107 K A 2 "LYS " " OXT" 8 -1 0 1 51 1611 107 + 1612 43 43.561000 25.860000 -16.963000 107 K A 2 "LYS " " H " 1 0 0 1 43.78 1612 107 + 1613 41 41.408000 27.829000 -17.594000 107 K A 2 "LYS " " HA " 1 0 0 1 47.51 1613 107 + 1614 41 43.518000 27.713000 -15.367000 107 K A 2 "LYS " " HB3" 1 0 0 1 47.34 1614 107 + 1615 41 41.829000 27.301000 -15.140000 107 K A 2 "LYS " " HB2" 1 0 0 1 47.34 1615 107 + 1616 41 41.110000 29.511000 -15.371000 107 K A 2 "LYS " " HG3" 1 0 0 1 50.47 1616 107 + 1617 41 42.530000 29.990000 -16.288000 107 K A 2 "LYS " " HG2" 1 0 0 1 50.47 1617 107 + 1618 41 42.897000 30.964000 -14.187000 107 K A 2 "LYS " " HD3" 1 0 0 1 54.12 1618 107 + 1619 41 43.872000 29.504000 -14.128000 107 K A 2 "LYS " " HD2" 1 0 0 1 54.12 1619 107 + 1620 41 42.012000 28.332000 -12.946000 107 K A 2 "LYS " " HE3" 1 0 0 1 56.15 1620 107 + 1621 41 41.097000 29.867000 -12.940000 107 K A 2 "LYS " " HE2" 1 0 0 1 56.15 1621 107 + 1622 44 43.572000 29.202000 -11.577000 107 K A 2 "LYS " " HZ1" 1 0 0 1 59.01 1622 107 + 1623 44 43.192000 30.771000 -11.911000 107 K A 2 "LYS " " HZ2" 1 0 0 1 59.01 1623 107 + 1624 44 42.189000 29.863000 -10.968000 107 K A 2 "LYS " " HZ3" 1 0 0 1 59.01 1624 107 + 1625 32 53.626000 -9.527000 -20.890000 1 Q B 2 "GLN " " N " 7 1 0 1 47.05 1625 1 + 1626 3 53.065000 -8.221000 -21.175000 1 Q B 2 "GLN " " CA " 6 0 0 1 45.24 1626 1 + 1627 2 51.591000 -8.519000 -20.891000 1 Q B 2 "GLN " " C " 6 0 0 1 40.44 1627 1 + 1628 15 51.089000 -9.519000 -21.415000 1 Q B 2 "GLN " " O " 8 0 0 1 39.85 1628 1 + 1629 3 53.350000 -7.855000 -22.663000 1 Q B 2 "GLN " " CB " 6 0 0 1 52.2 1629 1 + 1630 3 52.676000 -8.630000 -23.848000 1 Q B 2 "GLN " " CG " 6 0 0 1 61.79 1630 1 + 1631 2 52.713000 -10.160000 -23.726000 1 Q B 2 "GLN " " CD " 6 0 0 1 66.73 1631 1 + 1632 15 53.667000 -10.694000 -23.137000 1 Q B 2 "GLN " " OE1" 8 0 0 1 69.55 1632 1 + 1633 25 51.676000 -10.926000 -24.065000 1 Q B 2 "GLN " " NE2" 7 0 0 1 67.03 1633 1 + 1634 44 54.626000 -9.503000 -21.033000 1 Q B 2 "GLN " " H1 " 1 0 0 1 47.05 1634 1 + 1635 44 53.430000 -9.776000 -19.931000 1 Q B 2 "GLN " " H2 " 1 0 0 1 47.05 1635 1 + 1636 44 53.214000 -10.213000 -21.507000 1 Q B 2 "GLN " " H3 " 1 0 0 1 47.05 1636 1 + 1637 41 53.456000 -7.463000 -20.496000 1 Q B 2 "GLN " " HA " 1 0 0 1 45.24 1637 1 + 1638 41 54.428000 -7.843000 -22.821000 1 Q B 2 "GLN " " HB3" 1 0 0 1 52.2 1638 1 + 1639 41 53.179000 -6.787000 -22.800000 1 Q B 2 "GLN " " HB2" 1 0 0 1 52.2 1639 1 + 1640 41 53.144000 -8.332000 -24.786000 1 Q B 2 "GLN " " HG3" 1 0 0 1 61.79 1640 1 + 1641 41 51.642000 -8.301000 -23.952000 1 Q B 2 "GLN " " HG2" 1 0 0 1 61.79 1641 1 + 1642 43 51.737000 -11.930000 -23.971000 1 Q B 2 "GLN " "HE22" 1 0 0 1 67.03 1642 1 + 1643 43 50.829000 -10.503000 -24.416000 1 Q B 2 "GLN " "HE21" 1 0 0 1 67.03 1643 1 + 1644 25 50.892000 -7.801000 -20.014000 2 V B 2 "VAL " " N " 7 0 0 1 33.03 1644 2 + 1645 3 49.512000 -8.162000 -19.753000 2 V B 2 "VAL " " CA " 6 0 0 1 28.63 1645 2 + 1646 2 48.676000 -7.418000 -20.809000 2 V B 2 "VAL " " C " 6 0 0 1 27.33 1646 2 + 1647 15 48.876000 -6.214000 -21.018000 2 V B 2 "VAL " " O " 8 0 0 1 26.78 1647 2 + 1648 3 49.208000 -7.756000 -18.277000 2 V B 2 "VAL " " CB " 6 0 0 1 28.72 1648 2 + 1649 3 47.724000 -7.911000 -17.942000 2 V B 2 "VAL " " CG1" 6 0 0 1 26.95 1649 2 + 1650 3 49.970000 -8.678000 -17.338000 2 V B 2 "VAL " " CG2" 6 0 0 1 26.19 1650 2 + 1651 43 51.324000 -7.019000 -19.543000 2 V B 2 "VAL " " H " 1 0 0 1 33.03 1651 2 + 1652 41 49.384000 -9.238000 -19.873000 2 V B 2 "VAL " " HA " 1 0 0 1 28.63 1652 2 + 1653 41 49.517000 -6.724000 -18.109000 2 V B 2 "VAL " " HB " 1 0 0 1 28.72 1653 2 + 1654 41 47.552000 -7.619000 -16.906000 2 V B 2 "VAL " "HG11" 1 0 0 1 26.95 1654 2 + 1655 41 47.134000 -7.274000 -18.601000 2 V B 2 "VAL " "HG12" 1 0 0 1 26.95 1655 2 + 1656 41 47.427000 -8.951000 -18.080000 2 V B 2 "VAL " "HG13" 1 0 0 1 26.95 1656 2 + 1657 41 49.761000 -8.399000 -16.305000 2 V B 2 "VAL " "HG21" 1 0 0 1 26.19 1657 2 + 1658 41 49.656000 -9.708000 -17.506000 2 V B 2 "VAL " "HG22" 1 0 0 1 26.19 1658 2 + 1659 41 51.039000 -8.589000 -17.529000 2 V B 2 "VAL " "HG23" 1 0 0 1 26.19 1659 2 + 1660 25 47.819000 -8.120000 -21.544000 3 Q B 2 "GLN " " N " 7 0 2 1 25.75 1660 3 + 1661 3 46.939000 -7.547000 -22.557000 3 Q B 2 "GLN " " CA " 6 0 2 1 27.2 1661 3 + 1662 2 45.503000 -8.016000 -22.338000 3 Q B 2 "GLN " " C " 6 0 2 1 21.72 1662 3 + 1663 15 45.288000 -9.201000 -22.058000 3 Q B 2 "GLN " " O " 8 0 2 1 19.43 1663 3 + 1664 3 47.252000 -7.999000 -23.988000 3 Q B 2 "GLN " " CB " 6 0 2 1 33.15 1664 3 + 1665 3 48.657000 -7.857000 -24.531000 3 Q B 2 "GLN " " CG " 6 0 2 1 42.38 1665 3 + 1666 2 49.030000 -6.405000 -24.733000 3 Q B 2 "GLN " " CD " 6 0 2 1 47.78 1666 3 + 1667 15 50.093000 -5.961000 -24.294000 3 Q B 2 "GLN " " OE1" 8 0 2 1 51.19 1667 3 + 1668 25 48.173000 -5.625000 -25.397000 3 Q B 2 "GLN " " NE2" 7 0 2 1 49.54 1668 3 + 1669 43 47.747000 -9.120000 -21.418000 3 Q B 2 "GLN " " H " 1 0 2 1 25.75 1669 3 + 1670 41 46.979000 -6.459000 -22.502000 3 Q B 2 "GLN " " HA " 1 0 2 1 27.2 1670 3 + 1671 41 46.557000 -7.514000 -24.673000 3 Q B 2 "GLN " " HB3" 1 0 2 1 33.15 1671 3 + 1672 41 46.927000 -9.032000 -24.112000 3 Q B 2 "GLN " " HB2" 1 0 2 1 33.15 1672 3 + 1673 41 48.734000 -8.387000 -25.480000 3 Q B 2 "GLN " " HG3" 1 0 2 1 42.38 1673 3 + 1674 41 49.361000 -8.320000 -23.840000 3 Q B 2 "GLN " " HG2" 1 0 2 1 42.38 1674 3 + 1675 43 48.391000 -4.651000 -25.550000 3 Q B 2 "GLN " "HE22" 1 0 2 1 49.54 1675 3 + 1676 43 47.307000 -6.009000 -25.747000 3 Q B 2 "GLN " "HE21" 1 0 2 1 49.54 1676 3 + 1677 25 44.503000 -7.140000 -22.451000 4 L B 2 "LEU " " N " 7 0 2 1 18.99 1677 4 + 1678 3 43.110000 -7.544000 -22.475000 4 L B 2 "LEU " " CA " 6 0 2 1 17.92 1678 4 + 1679 2 42.532000 -6.837000 -23.691000 4 L B 2 "LEU " " C " 6 0 2 1 18.96 1679 4 + 1680 15 42.797000 -5.648000 -23.945000 4 L B 2 "LEU " " O " 8 0 2 1 16.01 1680 4 + 1681 3 42.339000 -7.090000 -21.241000 4 L B 2 "LEU " " CB " 6 0 2 1 17.45 1681 4 + 1682 3 42.780000 -7.640000 -19.889000 4 L B 2 "LEU " " CG " 6 0 2 1 18.46 1682 4 + 1683 3 43.783000 -6.658000 -19.300000 4 L B 2 "LEU " " CD1" 6 0 2 1 18.71 1683 4 + 1684 3 41.580000 -7.822000 -18.942000 4 L B 2 "LEU " " CD2" 6 0 2 1 18.87 1684 4 + 1685 43 44.702000 -6.153000 -22.524000 4 L B 2 "LEU " " H " 1 0 2 1 18.99 1685 4 + 1686 41 43.032000 -8.625000 -22.593000 4 L B 2 "LEU " " HA " 1 0 2 1 17.92 1686 4 + 1687 41 41.279000 -7.300000 -21.384000 4 L B 2 "LEU " " HB3" 1 0 2 1 17.45 1687 4 + 1688 41 42.338000 -6.001000 -21.201000 4 L B 2 "LEU " " HB2" 1 0 2 1 17.45 1688 4 + 1689 41 43.268000 -8.603000 -20.037000 4 L B 2 "LEU " " HG " 1 0 2 1 18.46 1689 4 + 1690 41 44.121000 -7.021000 -18.329000 4 L B 2 "LEU " "HD11" 1 0 2 1 18.71 1690 4 + 1691 41 44.638000 -6.565000 -19.970000 4 L B 2 "LEU " "HD12" 1 0 2 1 18.71 1691 4 + 1692 41 43.310000 -5.684000 -19.178000 4 L B 2 "LEU " "HD13" 1 0 2 1 18.71 1692 4 + 1693 41 41.927000 -8.215000 -17.987000 4 L B 2 "LEU " "HD21" 1 0 2 1 18.87 1693 4 + 1694 41 41.093000 -6.860000 -18.783000 4 L B 2 "LEU " "HD22" 1 0 2 1 18.87 1694 4 + 1695 41 40.869000 -8.520000 -19.385000 4 L B 2 "LEU " "HD23" 1 0 2 1 18.87 1695 4 + 1696 25 41.743000 -7.592000 -24.477000 5 Q B 2 "GLN " " N " 7 0 2 1 19.13 1696 5 + 1697 3 41.132000 -7.117000 -25.706000 5 Q B 2 "GLN " " CA " 6 0 2 1 20.33 1697 5 + 1698 2 39.691000 -7.606000 -25.840000 5 Q B 2 "GLN " " C " 6 0 2 1 19.91 1698 5 + 1699 15 39.417000 -8.815000 -25.871000 5 Q B 2 "GLN " " O " 8 0 2 1 18.86 1699 5 + 1700 3 41.879000 -7.622000 -26.932000 5 Q B 2 "GLN " " CB " 6 0 2 1 25.21 1700 5 + 1701 3 43.369000 -7.337000 -27.069000 5 Q B 2 "GLN " " CG " 6 0 2 1 33.29 1701 5 + 1702 2 43.992000 -8.075000 -28.256000 5 Q B 2 "GLN " " CD " 6 0 2 1 39.12 1702 5 + 1703 15 44.410000 -9.238000 -28.170000 5 Q B 2 "GLN " " OE1" 8 0 2 1 39.39 1703 5 + 1704 25 44.055000 -7.420000 -29.414000 5 Q B 2 "GLN " " NE2" 7 0 2 1 40.55 1704 5 + 1705 43 41.546000 -8.550000 -24.224000 5 Q B 2 "GLN " " H " 1 0 2 1 19.13 1705 5 + 1706 41 41.139000 -6.027000 -25.709000 5 Q B 2 "GLN " " HA " 1 0 2 1 20.33 1706 5 + 1707 41 41.367000 -7.273000 -27.829000 5 Q B 2 "GLN " " HB3" 1 0 2 1 25.21 1707 5 + 1708 41 41.712000 -8.694000 -27.033000 5 Q B 2 "GLN " " HB2" 1 0 2 1 25.21 1708 5 + 1709 41 43.880000 -7.630000 -26.152000 5 Q B 2 "GLN " " HG3" 1 0 2 1 33.29 1709 5 + 1710 41 43.524000 -6.265000 -27.187000 5 Q B 2 "GLN " " HG2" 1 0 2 1 33.29 1710 5 + 1711 43 44.458000 -7.866000 -30.225000 5 Q B 2 "GLN " "HE22" 1 0 2 1 40.55 1711 5 + 1712 43 43.700000 -6.477000 -29.481000 5 Q B 2 "GLN " "HE21" 1 0 2 1 40.55 1712 5 + 1713 25 38.765000 -6.661000 -25.977000 6 E B 2 "GLU " " N " 7 0 2 1 19.92 1713 6 + 1714 3 37.349000 -6.939000 -26.075000 6 E B 2 "GLU " " CA " 6 0 2 1 18.54 1714 6 + 1715 2 36.942000 -7.092000 -27.540000 6 E B 2 "GLU " " C " 6 0 2 1 24.58 1715 6 + 1716 15 37.585000 -6.486000 -28.407000 6 E B 2 "GLU " " O " 8 0 2 1 24.25 1716 6 + 1717 3 36.537000 -5.801000 -25.454000 6 E B 2 "GLU " " CB " 6 0 2 1 18.74 1717 6 + 1718 3 36.816000 -5.467000 -23.980000 6 E B 2 "GLU " " CG " 6 0 2 1 16.98 1718 6 + 1719 2 37.952000 -4.475000 -23.746000 6 E B 2 "GLU " " CD " 6 0 2 1 18.77 1719 6 + 1720 15 38.670000 -4.155000 -24.698000 6 E B 2 "GLU " " OE1" 8 0 2 1 19.74 1720 6 + 1721 18 38.137000 -4.017000 -22.621000 6 E B 2 "GLU " " OE2" 8 -1 2 1 15.55 1721 6 + 1722 43 39.037000 -5.689000 -26.018000 6 E B 2 "GLU " " H " 1 0 2 1 19.92 1722 6 + 1723 41 37.129000 -7.866000 -25.545000 6 E B 2 "GLU " " HA " 1 0 2 1 18.54 1723 6 + 1724 41 35.474000 -6.009000 -25.579000 6 E B 2 "GLU " " HB3" 1 0 2 1 18.74 1724 6 + 1725 41 36.663000 -4.901000 -26.056000 6 E B 2 "GLU " " HB2" 1 0 2 1 18.74 1725 6 + 1726 41 37.023000 -6.388000 -23.435000 6 E B 2 "GLU " " HG3" 1 0 2 1 16.98 1726 6 + 1727 41 35.905000 -5.087000 -23.518000 6 E B 2 "GLU " " HG2" 1 0 2 1 16.98 1727 6 + 1728 25 35.957000 -7.917000 -27.876000 7 S B 2 "SER " " N " 7 0 2 1 21.88 1728 7 + 1729 3 35.436000 -8.007000 -29.223000 7 S B 2 "SER " " CA " 6 0 2 1 25.12 1729 7 + 1730 2 33.958000 -8.151000 -29.015000 7 S B 2 "SER " " C " 6 0 2 1 24.4 1730 7 + 1731 15 33.534000 -8.949000 -28.176000 7 S B 2 "SER " " O " 8 0 2 1 23.02 1731 7 + 1732 3 35.834000 -9.243000 -29.980000 7 S B 2 "SER " " CB " 6 0 2 1 25.79 1732 7 + 1733 16 37.237000 -9.403000 -29.964000 7 S B 2 "SER " " OG " 8 0 2 1 34.35 1733 7 + 1734 43 35.539000 -8.516000 -27.178000 7 S B 2 "SER " " H " 1 0 2 1 21.88 1734 7 + 1735 41 35.666000 -7.107000 -29.793000 7 S B 2 "SER " " HA " 1 0 2 1 25.12 1735 7 + 1736 41 35.489000 -9.164000 -31.011000 7 S B 2 "SER " " HB3" 1 0 2 1 25.79 1736 7 + 1737 41 35.364000 -10.115000 -29.525000 7 S B 2 "SER " " HB2" 1 0 2 1 25.79 1737 7 + 1738 42 37.651000 -8.640000 -30.374000 7 S B 2 "SER " " HG " 1 0 2 1 34.35 1738 7 + 1739 25 33.164000 -7.424000 -29.773000 8 G B 2 "GLY " " N " 7 0 0 1 24.27 1739 8 + 1740 3 31.733000 -7.529000 -29.656000 8 G B 2 "GLY " " CA " 6 0 0 1 29.83 1740 8 + 1741 2 31.063000 -7.193000 -30.970000 8 G B 2 "GLY " " C " 6 0 0 1 31.35 1741 8 + 1742 15 31.726000 -6.850000 -31.950000 8 G B 2 "GLY " " O " 8 0 0 1 30.61 1742 8 + 1743 43 33.557000 -6.783000 -30.447000 8 G B 2 "GLY " " H " 1 0 0 1 24.27 1743 8 + 1744 41 31.381000 -6.845000 -28.884000 8 G B 2 "GLY " " HA3" 1 0 0 1 29.83 1744 8 + 1745 41 31.466000 -8.544000 -29.362000 8 G B 2 "GLY " " HA2" 1 0 0 1 29.83 1745 8 + 1746 25 29.739000 -7.237000 -31.001000 9 P B 2 "PRO " " N " 7 0 0 1 34.08 1746 9 + 1747 3 28.944000 -7.056000 -32.203000 9 P B 2 "PRO " " CA " 6 0 0 1 34.93 1747 9 + 1748 2 28.795000 -5.617000 -32.718000 9 P B 2 "PRO " " C " 6 0 0 1 35.77 1748 9 + 1749 15 28.381000 -5.410000 -33.866000 9 P B 2 "PRO " " O " 8 0 0 1 38.03 1749 9 + 1750 3 27.643000 -7.726000 -31.801000 9 P B 2 "PRO " " CB " 6 0 0 1 36.49 1750 9 + 1751 3 27.476000 -7.314000 -30.361000 9 P B 2 "PRO " " CG " 6 0 0 1 35.68 1751 9 + 1752 3 28.893000 -7.465000 -29.823000 9 P B 2 "PRO " " CD " 6 0 0 1 34.74 1752 9 + 1753 41 29.396000 -7.651000 -32.997000 9 P B 2 "PRO " " HA " 1 0 0 1 34.93 1753 9 + 1754 41 27.764000 -8.808000 -31.854000 9 P B 2 "PRO " " HB3" 1 0 0 1 36.49 1754 9 + 1755 41 26.827000 -7.310000 -32.391000 9 P B 2 "PRO " " HB2" 1 0 0 1 36.49 1755 9 + 1756 41 26.824000 -8.027000 -29.857000 9 P B 2 "PRO " " HG3" 1 0 0 1 35.68 1756 9 + 1757 41 27.187000 -6.264000 -30.320000 9 P B 2 "PRO " " HG2" 1 0 0 1 35.68 1757 9 + 1758 41 29.084000 -6.685000 -29.086000 9 P B 2 "PRO " " HD2" 1 0 0 1 34.74 1758 9 + 1759 41 29.037000 -8.486000 -29.468000 9 P B 2 "PRO " " HD3" 1 0 0 1 34.74 1759 9 + 1760 25 29.065000 -4.574000 -31.928000 10 G B 2 "GLY " " N " 7 0 0 1 34.43 1760 10 + 1761 3 28.936000 -3.210000 -32.416000 10 G B 2 "GLY " " CA " 6 0 0 1 35.65 1761 10 + 1762 2 27.511000 -2.651000 -32.393000 10 G B 2 "GLY " " C " 6 0 0 1 36.17 1762 10 + 1763 15 27.255000 -1.579000 -31.830000 10 G B 2 "GLY " " O " 8 0 0 1 36.7 1763 10 + 1764 43 29.364000 -4.726000 -30.975000 10 G B 2 "GLY " " H " 1 0 0 1 34.43 1764 10 + 1765 41 29.330000 -3.151000 -33.430000 10 G B 2 "GLY " " HA3" 1 0 0 1 35.65 1765 10 + 1766 41 29.589000 -2.557000 -31.838000 10 G B 2 "GLY " " HA2" 1 0 0 1 35.65 1766 10 + 1767 25 26.537000 -3.320000 -32.982000 11 L B 2 "LEU " " N " 7 0 2 1 38.26 1767 11 + 1768 3 25.178000 -2.825000 -33.033000 11 L B 2 "LEU " " CA " 6 0 2 1 38.53 1768 11 + 1769 2 24.292000 -4.023000 -32.758000 11 L B 2 "LEU " " C " 6 0 2 1 37.8 1769 11 + 1770 15 24.597000 -5.134000 -33.209000 11 L B 2 "LEU " " O " 8 0 2 1 35.67 1770 11 + 1771 3 24.930000 -2.247000 -34.424000 11 L B 2 "LEU " " CB " 6 0 2 1 39.51 1771 11 + 1772 3 23.525000 -1.829000 -34.851000 11 L B 2 "LEU " " CG " 6 0 2 1 40.92 1772 11 + 1773 3 23.050000 -0.608000 -34.088000 11 L B 2 "LEU " " CD1" 6 0 2 1 40.25 1773 11 + 1774 3 23.563000 -1.495000 -36.324000 11 L B 2 "LEU " " CD2" 6 0 2 1 40.59 1774 11 + 1775 43 26.728000 -4.211000 -33.418000 11 L B 2 "LEU " " H " 1 0 2 1 38.26 1775 11 + 1776 41 25.026000 -2.059000 -32.272000 11 L B 2 "LEU " " HA " 1 0 2 1 38.53 1776 11 + 1777 41 25.336000 -2.932000 -35.168000 11 L B 2 "LEU " " HB3" 1 0 2 1 39.51 1777 11 + 1778 41 25.611000 -1.412000 -34.586000 11 L B 2 "LEU " " HB2" 1 0 2 1 39.51 1778 11 + 1779 41 22.833000 -2.654000 -34.683000 11 L B 2 "LEU " " HG " 1 0 2 1 40.92 1779 11 + 1780 41 22.047000 -0.340000 -34.419000 11 L B 2 "LEU " "HD11" 1 0 2 1 40.25 1780 11 + 1781 41 23.033000 -0.830000 -33.021000 11 L B 2 "LEU " "HD12" 1 0 2 1 40.25 1781 11 + 1782 41 23.728000 0.225000 -34.275000 11 L B 2 "LEU " "HD13" 1 0 2 1 40.25 1782 11 + 1783 41 22.569000 -1.193000 -36.654000 11 L B 2 "LEU " "HD21" 1 0 2 1 40.59 1783 11 + 1784 41 24.266000 -0.679000 -36.494000 11 L B 2 "LEU " "HD22" 1 0 2 1 40.59 1784 11 + 1785 41 23.882000 -2.372000 -36.888000 11 L B 2 "LEU " "HD23" 1 0 2 1 40.59 1785 11 + 1786 25 23.257000 -3.839000 -31.940000 12 V B 2 "VAL " " N " 7 0 2 1 39.59 1786 12 + 1787 3 22.271000 -4.881000 -31.667000 12 V B 2 "VAL " " CA " 6 0 2 1 41.95 1787 12 + 1788 2 20.872000 -4.296000 -31.475000 12 V B 2 "VAL " " C " 6 0 2 1 43.34 1788 12 + 1789 15 20.682000 -3.147000 -31.065000 12 V B 2 "VAL " " O " 8 0 2 1 43.22 1789 12 + 1790 3 22.607000 -5.713000 -30.387000 12 V B 2 "VAL " " CB " 6 0 2 1 42.89 1790 12 + 1791 3 23.687000 -6.740000 -30.672000 12 V B 2 "VAL " " CG1" 6 0 2 1 41.91 1791 12 + 1792 3 23.075000 -4.783000 -29.280000 12 V B 2 "VAL " " CG2" 6 0 2 1 43.84 1792 12 + 1793 43 23.130000 -2.949000 -31.479000 12 V B 2 "VAL " " H " 1 0 2 1 39.59 1793 12 + 1794 41 22.245000 -5.560000 -32.520000 12 V B 2 "VAL " " HA " 1 0 2 1 41.95 1794 12 + 1795 41 21.707000 -6.230000 -30.056000 12 V B 2 "VAL " " HB " 1 0 2 1 42.89 1795 12 + 1796 41 23.901000 -7.304000 -29.764000 12 V B 2 "VAL " "HG11" 1 0 2 1 41.91 1796 12 + 1797 41 23.345000 -7.421000 -31.451000 12 V B 2 "VAL " "HG12" 1 0 2 1 41.91 1797 12 + 1798 41 24.592000 -6.233000 -31.006000 12 V B 2 "VAL " "HG13" 1 0 2 1 41.91 1798 12 + 1799 41 23.308000 -5.366000 -28.389000 12 V B 2 "VAL " "HG21" 1 0 2 1 43.84 1799 12 + 1800 41 23.966000 -4.248000 -29.607000 12 V B 2 "VAL " "HG22" 1 0 2 1 43.84 1800 12 + 1801 41 22.286000 -4.067000 -29.049000 12 V B 2 "VAL " "HG23" 1 0 2 1 43.84 1801 12 + 1802 25 19.872000 -5.077000 -31.841000 13 A B 2 "ALA " " N " 7 0 0 1 46.83 1802 13 + 1803 3 18.484000 -4.722000 -31.639000 13 A B 2 "ALA " " CA " 6 0 0 1 52.22 1803 13 + 1804 2 18.092000 -5.325000 -30.300000 13 A B 2 "ALA " " C " 6 0 0 1 56.28 1804 13 + 1805 15 18.659000 -6.360000 -29.933000 13 A B 2 "ALA " " O " 8 0 0 1 55.25 1805 13 + 1806 3 17.600000 -5.341000 -32.705000 13 A B 2 "ALA " " CB " 6 0 0 1 52.99 1806 13 + 1807 43 20.061000 -5.965000 -32.283000 13 A B 2 "ALA " " H " 1 0 0 1 46.83 1807 13 + 1808 41 18.364000 -3.639000 -31.622000 13 A B 2 "ALA " " HA " 1 0 0 1 52.22 1808 13 + 1809 41 16.563000 -5.057000 -32.528000 13 A B 2 "ALA " " HB1" 1 0 0 1 52.99 1809 13 + 1810 41 17.911000 -4.985000 -33.687000 13 A B 2 "ALA " " HB2" 1 0 0 1 52.99 1810 13 + 1811 41 17.690000 -6.427000 -32.667000 13 A B 2 "ALA " " HB3" 1 0 0 1 52.99 1811 13 + 1812 25 17.145000 -4.771000 -29.534000 14 P B 2 "PRO " " N " 7 0 0 1 60.84 1812 14 + 1813 3 16.547000 -5.369000 -28.342000 14 P B 2 "PRO " " CA " 6 0 0 1 64.14 1813 14 + 1814 2 16.153000 -6.843000 -28.395000 14 P B 2 "PRO " " C " 6 0 0 1 66.81 1814 14 + 1815 15 16.031000 -7.505000 -27.363000 14 P B 2 "PRO " " O " 8 0 0 1 69.08 1815 14 + 1816 3 15.377000 -4.453000 -28.053000 14 P B 2 "PRO " " CB " 6 0 0 1 64.08 1816 14 + 1817 3 15.955000 -3.097000 -28.385000 14 P B 2 "PRO " " CG " 6 0 0 1 63.67 1817 14 + 1818 3 16.679000 -3.397000 -29.686000 14 P B 2 "PRO " " CD " 6 0 0 1 62.76 1818 14 + 1819 41 17.261000 -5.252000 -27.527000 14 P B 2 "PRO " " HA " 1 0 0 1 64.14 1819 14 + 1820 41 15.145000 -4.493000 -26.989000 14 P B 2 "PRO " " HB3" 1 0 0 1 64.08 1820 14 + 1821 41 14.567000 -4.677000 -28.747000 14 P B 2 "PRO " " HB2" 1 0 0 1 64.08 1821 14 + 1822 41 16.686000 -2.824000 -27.624000 14 P B 2 "PRO " " HG3" 1 0 0 1 63.67 1822 14 + 1823 41 15.141000 -2.400000 -28.582000 14 P B 2 "PRO " " HG2" 1 0 0 1 63.67 1823 14 + 1824 41 15.971000 -3.345000 -30.513000 14 P B 2 "PRO " " HD2" 1 0 0 1 62.76 1824 14 + 1825 41 17.538000 -2.733000 -29.782000 14 P B 2 "PRO " " HD3" 1 0 0 1 62.76 1825 14 + 1826 25 15.900000 -7.359000 -29.591000 15 S B 2 "SER " " N " 7 0 0 1 68.61 1826 15 + 1827 3 15.580000 -8.758000 -29.785000 15 S B 2 "SER " " CA " 6 0 0 1 69.42 1827 15 + 1828 2 16.791000 -9.684000 -29.700000 15 S B 2 "SER " " C " 6 0 0 1 67.74 1828 15 + 1829 15 16.649000 -10.907000 -29.758000 15 S B 2 "SER " " O " 8 0 0 1 66.97 1829 15 + 1830 3 14.890000 -8.847000 -31.134000 15 S B 2 "SER " " CB " 6 0 0 1 72.4 1830 15 + 1831 16 13.829000 -7.885000 -31.153000 15 S B 2 "SER " " OG " 8 0 0 1 75.68 1831 15 + 1832 43 15.926000 -6.770000 -30.411000 15 S B 2 "SER " " H " 1 0 0 1 68.61 1832 15 + 1833 41 14.867000 -9.056000 -29.016000 15 S B 2 "SER " " HA " 1 0 0 1 69.42 1833 15 + 1834 41 14.476000 -9.847000 -31.264000 15 S B 2 "SER " " HB3" 1 0 0 1 72.4 1834 15 + 1835 41 15.605000 -8.614000 -31.923000 15 S B 2 "SER " " HB2" 1 0 0 1 72.4 1835 15 + 1836 42 13.377000 -7.923000 -31.999000 15 S B 2 "SER " " HG " 1 0 0 1 75.68 1836 15 + 1837 25 18.010000 -9.162000 -29.593000 16 Q B 2 "GLN " " N " 7 0 0 1 66.91 1837 16 + 1838 3 19.181000 -10.012000 -29.483000 16 Q B 2 "GLN " " CA " 6 0 0 1 65.84 1838 16 + 1839 2 19.700000 -9.964000 -28.059000 16 Q B 2 "GLN " " C " 6 0 0 1 64.27 1839 16 + 1840 15 19.323000 -9.115000 -27.244000 16 Q B 2 "GLN " " O " 8 0 0 1 64.24 1840 16 + 1841 3 20.291000 -9.544000 -30.391000 16 Q B 2 "GLN " " CB " 6 0 0 1 67.07 1841 16 + 1842 3 20.019000 -9.769000 -31.852000 16 Q B 2 "GLN " " CG " 6 0 0 1 68.31 1842 16 + 1843 2 20.501000 -8.579000 -32.657000 16 Q B 2 "GLN " " CD " 6 0 0 1 69.64 1843 16 + 1844 15 19.742000 -7.645000 -32.895000 16 Q B 2 "GLN " " OE1" 8 0 0 1 69.73 1844 16 + 1845 25 21.757000 -8.502000 -33.067000 16 Q B 2 "GLN " " NE2" 7 0 0 1 69.99 1845 16 + 1846 43 18.131000 -8.159000 -29.587000 16 Q B 2 "GLN " " H " 1 0 0 1 66.91 1846 16 + 1847 41 18.911000 -11.037000 -29.737000 16 Q B 2 "GLN " " HA " 1 0 0 1 65.84 1847 16 + 1848 41 21.219000 -10.044000 -30.115000 16 Q B 2 "GLN " " HB3" 1 0 0 1 67.07 1848 16 + 1849 41 20.478000 -8.484000 -30.217000 16 Q B 2 "GLN " " HB2" 1 0 0 1 67.07 1849 16 + 1850 41 18.948000 -9.902000 -32.006000 16 Q B 2 "GLN " " HG3" 1 0 0 1 68.31 1850 16 + 1851 41 20.540000 -10.667000 -32.184000 16 Q B 2 "GLN " " HG2" 1 0 0 1 68.31 1851 16 + 1852 43 22.065000 -7.703000 -33.603000 16 Q B 2 "GLN " "HE22" 1 0 0 1 69.99 1852 16 + 1853 43 22.407000 -9.242000 -32.844000 16 Q B 2 "GLN " "HE21" 1 0 0 1 69.99 1853 16 + 1854 25 20.517000 -10.967000 -27.770000 17 S B 2 "SER " " N " 7 0 0 1 62.01 1854 17 + 1855 3 21.264000 -11.028000 -26.539000 17 S B 2 "SER " " CA " 6 0 0 1 60.96 1855 17 + 1856 2 22.661000 -10.568000 -26.930000 17 S B 2 "SER " " C " 6 0 0 1 58.87 1856 17 + 1857 15 23.133000 -10.839000 -28.036000 17 S B 2 "SER " " O " 8 0 0 1 62.15 1857 17 + 1858 3 21.301000 -12.454000 -26.014000 17 S B 2 "SER " " CB " 6 0 0 1 62.19 1858 17 + 1859 16 19.995000 -12.871000 -25.624000 17 S B 2 "SER " " OG " 8 0 0 1 65.4 1859 17 + 1860 43 20.634000 -11.727000 -28.424000 17 S B 2 "SER " " H " 1 0 0 1 62.01 1860 17 + 1861 41 20.833000 -10.357000 -25.796000 17 S B 2 "SER " " HA " 1 0 0 1 60.96 1861 17 + 1862 41 21.971000 -12.508000 -25.156000 17 S B 2 "SER " " HB3" 1 0 0 1 62.19 1862 17 + 1863 41 21.677000 -13.118000 -26.793000 17 S B 2 "SER " " HB2" 1 0 0 1 62.19 1863 17 + 1864 42 19.666000 -12.291000 -24.933000 17 S B 2 "SER " " HG " 1 0 0 1 65.4 1864 17 + 1865 25 23.321000 -9.797000 -26.094000 18 L B 2 "LEU " " N " 7 0 2 1 54.59 1865 18 + 1866 3 24.672000 -9.341000 -26.316000 18 L B 2 "LEU " " CA " 6 0 2 1 47.06 1866 18 + 1867 2 25.678000 -10.351000 -25.760000 18 L B 2 "LEU " " C " 6 0 2 1 43.94 1867 18 + 1868 15 25.498000 -10.866000 -24.649000 18 L B 2 "LEU " " O " 8 0 2 1 41.36 1868 18 + 1869 3 24.798000 -8.012000 -25.618000 18 L B 2 "LEU " " CB " 6 0 2 1 46.52 1869 18 + 1870 3 26.165000 -7.403000 -25.507000 18 L B 2 "LEU " " CG " 6 0 2 1 46.76 1870 18 + 1871 3 26.587000 -6.916000 -26.876000 18 L B 2 "LEU " " CD1" 6 0 2 1 47.89 1871 18 + 1872 3 26.150000 -6.288000 -24.479000 18 L B 2 "LEU " " CD2" 6 0 2 1 48.16 1872 18 + 1873 43 22.883000 -9.489000 -25.237000 18 L B 2 "LEU " " H " 1 0 2 1 54.59 1873 18 + 1874 41 24.841000 -9.209000 -27.385000 18 L B 2 "LEU " " HA " 1 0 2 1 47.06 1874 18 + 1875 41 24.359000 -8.088000 -24.623000 18 L B 2 "LEU " " HB3" 1 0 2 1 46.52 1875 18 + 1876 41 24.125000 -7.296000 -26.089000 18 L B 2 "LEU " " HB2" 1 0 2 1 46.52 1876 18 + 1877 41 26.864000 -8.172000 -25.179000 18 L B 2 "LEU " " HG " 1 0 2 1 46.76 1877 18 + 1878 41 27.580000 -6.470000 -26.813000 18 L B 2 "LEU " "HD11" 1 0 2 1 47.89 1878 18 + 1879 41 26.610000 -7.756000 -27.570000 18 L B 2 "LEU " "HD12" 1 0 2 1 47.89 1879 18 + 1880 41 25.876000 -6.171000 -27.232000 18 L B 2 "LEU " "HD13" 1 0 2 1 47.89 1880 18 + 1881 41 27.145000 -5.850000 -24.403000 18 L B 2 "LEU " "HD21" 1 0 2 1 48.16 1881 18 + 1882 41 25.438000 -5.521000 -24.784000 18 L B 2 "LEU " "HD22" 1 0 2 1 48.16 1882 18 + 1883 41 25.856000 -6.691000 -23.510000 18 L B 2 "LEU " "HD23" 1 0 2 1 48.16 1883 18 + 1884 25 26.722000 -10.677000 -26.517000 19 S B 2 "SER " " N " 7 0 2 1 38.77 1884 19 + 1885 3 27.820000 -11.445000 -25.983000 19 S B 2 "SER " " CA " 6 0 2 1 34.3 1885 19 + 1886 2 29.073000 -10.645000 -26.333000 19 S B 2 "SER " " C " 6 0 2 1 30.03 1886 19 + 1887 15 29.217000 -10.185000 -27.471000 19 S B 2 "SER " " O " 8 0 2 1 30.32 1887 19 + 1888 3 27.866000 -12.832000 -26.614000 19 S B 2 "SER " " CB " 6 0 2 1 34.61 1888 19 + 1889 16 28.761000 -13.641000 -25.848000 19 S B 2 "SER " " OG " 8 0 2 1 39.95 1889 19 + 1890 43 26.755000 -10.386000 -27.484000 19 S B 2 "SER " " H " 1 0 2 1 38.77 1890 19 + 1891 41 27.723000 -11.531000 -24.901000 19 S B 2 "SER " " HA " 1 0 2 1 34.3 1891 19 + 1892 41 28.233000 -12.753000 -27.637000 19 S B 2 "SER " " HB3" 1 0 2 1 34.61 1892 19 + 1893 41 26.870000 -13.273000 -26.593000 19 S B 2 "SER " " HB2" 1 0 2 1 34.61 1893 19 + 1894 42 28.445000 -13.700000 -24.944000 19 S B 2 "SER " " HG " 1 0 2 1 39.95 1894 19 + 1895 25 29.963000 -10.367000 -25.388000 20 I B 2 "ILE " " N " 7 0 2 1 25.3 1895 20 + 1896 3 31.210000 -9.658000 -25.660000 20 I B 2 "ILE " " CA " 6 0 2 1 21.96 1896 20 + 1897 2 32.301000 -10.574000 -25.133000 20 I B 2 "ILE " " C " 6 0 2 1 20.59 1897 20 + 1898 15 32.121000 -11.204000 -24.079000 20 I B 2 "ILE " " O " 8 0 2 1 20.23 1898 20 + 1899 3 31.217000 -8.302000 -24.917000 20 I B 2 "ILE " " CB " 6 0 2 1 22.29 1899 20 + 1900 3 30.104000 -7.433000 -25.478000 20 I B 2 "ILE " " CG1" 6 0 2 1 24.1 1900 20 + 1901 3 32.561000 -7.585000 -25.090000 20 I B 2 "ILE " " CG2" 6 0 2 1 21.68 1901 20 + 1902 3 29.893000 -6.119000 -24.724000 20 I B 2 "ILE " " CD1" 6 0 2 1 26.49 1902 20 + 1903 43 29.791000 -10.649000 -24.433000 20 I B 2 "ILE " " H " 1 0 2 1 25.3 1903 20 + 1904 41 31.331000 -9.503000 -26.732000 20 I B 2 "ILE " " HA " 1 0 2 1 21.96 1904 20 + 1905 41 31.037000 -8.474000 -23.856000 20 I B 2 "ILE " " HB " 1 0 2 1 22.29 1905 20 + 1906 41 29.173000 -7.999000 -25.485000 20 I B 2 "ILE " "HG13" 1 0 2 1 24.1 1906 20 + 1907 41 30.307000 -7.219000 -26.527000 20 I B 2 "ILE " "HG12" 1 0 2 1 24.1 1907 20 + 1908 41 32.538000 -6.634000 -24.557000 20 I B 2 "ILE " "HG21" 1 0 2 1 21.68 1908 20 + 1909 41 33.360000 -8.207000 -24.687000 20 I B 2 "ILE " "HG22" 1 0 2 1 21.68 1909 20 + 1910 41 32.742000 -7.403000 -26.149000 20 I B 2 "ILE " "HG23" 1 0 2 1 21.68 1910 20 + 1911 41 29.081000 -5.559000 -25.189000 20 I B 2 "ILE " "HD11" 1 0 2 1 26.49 1911 20 + 1912 41 29.639000 -6.332000 -23.686000 20 I B 2 "ILE " "HD12" 1 0 2 1 26.49 1912 20 + 1913 41 30.808000 -5.528000 -24.760000 20 I B 2 "ILE " "HD13" 1 0 2 1 26.49 1913 20 + 1914 25 33.419000 -10.659000 -25.849000 21 T B 2 "THR " " N " 7 0 2 1 18.91 1914 21 + 1915 3 34.545000 -11.459000 -25.428000 21 T B 2 "THR " " CA " 6 0 2 1 18.64 1915 21 + 1916 2 35.690000 -10.573000 -24.966000 21 T B 2 "THR " " C " 6 0 2 1 19.08 1916 21 + 1917 15 35.922000 -9.491000 -25.505000 21 T B 2 "THR " " O " 8 0 2 1 21.49 1917 21 + 1918 3 35.061000 -12.327000 -26.602000 21 T B 2 "THR " " CB " 6 0 2 1 20.53 1918 21 + 1919 16 33.946000 -13.060000 -27.059000 21 T B 2 "THR " " OG1" 8 0 2 1 21.29 1919 21 + 1920 3 36.196000 -13.269000 -26.209000 21 T B 2 "THR " " CG2" 6 0 2 1 20.56 1920 21 + 1921 43 33.501000 -10.153000 -26.720000 21 T B 2 "THR " " H " 1 0 2 1 18.91 1921 21 + 1922 41 34.239000 -12.108000 -24.608000 21 T B 2 "THR " " HA " 1 0 2 1 18.64 1922 21 + 1923 41 35.406000 -11.672000 -27.402000 21 T B 2 "THR " " HB " 1 0 2 1 20.53 1923 21 + 1924 42 33.607000 -13.606000 -26.346000 21 T B 2 "THR " " HG1" 1 0 2 1 21.29 1924 21 + 1925 41 36.508000 -13.846000 -27.080000 21 T B 2 "THR " "HG21" 1 0 2 1 20.56 1925 21 + 1926 41 37.040000 -12.687000 -25.838000 21 T B 2 "THR " "HG22" 1 0 2 1 20.56 1926 21 + 1927 41 35.852000 -13.947000 -25.428000 21 T B 2 "THR " "HG23" 1 0 2 1 20.56 1927 21 + 1928 25 36.360000 -10.997000 -23.907000 22 C B 2 "CYS " " N " 7 0 2 1 18.98 1928 22 + 1929 3 37.608000 -10.410000 -23.456000 22 C B 2 "CYS " " CA " 6 0 2 1 18.64 1929 22 + 1930 2 38.695000 -11.498000 -23.592000 22 C B 2 "CYS " " C " 6 0 2 1 18.66 1930 22 + 1931 15 38.639000 -12.546000 -22.922000 22 C B 2 "CYS " " O " 8 0 2 1 16.86 1931 22 + 1932 3 37.426000 -9.970000 -22.005000 22 C B 2 "CYS " " CB " 6 0 2 1 16.43 1932 22 + 1933 49 38.883000 -9.277000 -21.241000 22 C B 2 "CYS " " SG " 16 0 2 1 15.81 1933 22 + 1934 43 36.007000 -11.771000 -23.363000 22 C B 2 "CYS " " H " 1 0 2 1 18.98 1934 22 + 1935 41 37.861000 -9.551000 -24.077000 22 C B 2 "CYS " " HA " 1 0 2 1 18.64 1935 22 + 1936 41 37.076000 -10.816000 -21.413000 22 C B 2 "CYS " " HB3" 1 0 2 1 16.43 1936 22 + 1937 41 36.610000 -9.249000 -21.946000 22 C B 2 "CYS " " HB2" 1 0 2 1 16.43 1937 22 + 1938 25 39.674000 -11.301000 -24.488000 23 T B 2 "THR " " N " 7 0 2 1 18.57 1938 23 + 1939 3 40.733000 -12.280000 -24.667000 23 T B 2 "THR " " CA " 6 0 2 1 16.02 1939 23 + 1940 2 41.916000 -11.676000 -23.943000 23 T B 2 "THR " " C " 6 0 2 1 15.54 1940 23 + 1941 15 42.279000 -10.510000 -24.167000 23 T B 2 "THR " " O " 8 0 2 1 17.82 1941 23 + 1942 3 41.030000 -12.490000 -26.175000 23 T B 2 "THR " " CB " 6 0 2 1 16.44 1942 23 + 1943 16 39.787000 -12.737000 -26.829000 23 T B 2 "THR " " OG1" 8 0 2 1 17.39 1943 23 + 1944 3 41.979000 -13.670000 -26.408000 23 T B 2 "THR " " CG2" 6 0 2 1 16.22 1944 23 + 1945 43 39.682000 -10.462000 -25.051000 23 T B 2 "THR " " H " 1 0 2 1 18.57 1945 23 + 1946 41 40.452000 -13.226000 -24.204000 23 T B 2 "THR " " HA " 1 0 2 1 16.02 1946 23 + 1947 41 41.477000 -11.583000 -26.583000 23 T B 2 "THR " " HB " 1 0 2 1 16.44 1947 23 + 1948 42 39.204000 -11.984000 -26.705000 23 T B 2 "THR " " HG1" 1 0 2 1 17.39 1948 23 + 1949 41 42.162000 -13.784000 -27.476000 23 T B 2 "THR " "HG21" 1 0 2 1 16.22 1949 23 + 1950 41 42.923000 -13.484000 -25.896000 23 T B 2 "THR " "HG22" 1 0 2 1 16.22 1950 23 + 1951 41 41.528000 -14.582000 -26.018000 23 T B 2 "THR " "HG23" 1 0 2 1 16.22 1951 23 + 1952 25 42.519000 -12.423000 -23.032000 24 V B 2 "VAL " " N " 7 0 2 1 14.49 1952 24 + 1953 3 43.634000 -11.914000 -22.258000 24 V B 2 "VAL " " CA " 6 0 2 1 16.6 1953 24 + 1954 2 44.939000 -12.611000 -22.601000 24 V B 2 "VAL " " C " 6 0 2 1 17.12 1954 24 + 1955 15 44.912000 -13.704000 -23.176000 24 V B 2 "VAL " " O " 8 0 2 1 17.36 1955 24 + 1956 3 43.333000 -12.056000 -20.722000 24 V B 2 "VAL " " CB " 6 0 2 1 14.5 1956 24 + 1957 3 41.934000 -11.511000 -20.494000 24 V B 2 "VAL " " CG1" 6 0 2 1 15.78 1957 24 + 1958 3 43.401000 -13.487000 -20.193000 24 V B 2 "VAL " " CG2" 6 0 2 1 13.45 1958 24 + 1959 43 42.204000 -13.368000 -22.865000 24 V B 2 "VAL " " H " 1 0 2 1 14.49 1959 24 + 1960 41 43.747000 -10.854000 -22.484000 24 V B 2 "VAL " " HA " 1 0 2 1 16.6 1960 24 + 1961 41 44.043000 -11.443000 -20.167000 24 V B 2 "VAL " " HB " 1 0 2 1 14.5 1961 24 + 1962 41 41.681000 -11.589000 -19.437000 24 V B 2 "VAL " "HG11" 1 0 2 1 15.78 1962 24 + 1963 41 41.897000 -10.465000 -20.799000 24 V B 2 "VAL " "HG12" 1 0 2 1 15.78 1963 24 + 1964 41 41.219000 -12.086000 -21.082000 24 V B 2 "VAL " "HG13" 1 0 2 1 15.78 1964 24 + 1965 41 43.180000 -13.491000 -19.126000 24 V B 2 "VAL " "HG21" 1 0 2 1 13.45 1965 24 + 1966 41 42.671000 -14.104000 -20.717000 24 V B 2 "VAL " "HG22" 1 0 2 1 13.45 1966 24 + 1967 41 44.401000 -13.889000 -20.358000 24 V B 2 "VAL " "HG23" 1 0 2 1 13.45 1967 24 + 1968 25 46.075000 -12.015000 -22.286000 25 S B 2 "SER " " N " 7 0 2 1 17.39 1968 25 + 1969 3 47.344000 -12.667000 -22.446000 25 S B 2 "SER " " CA " 6 0 2 1 19.25 1969 25 + 1970 2 48.303000 -12.061000 -21.459000 25 S B 2 "SER " " C " 6 0 2 1 17.98 1970 25 + 1971 15 48.153000 -10.926000 -20.978000 25 S B 2 "SER " " O " 8 0 2 1 20.09 1971 25 + 1972 3 47.880000 -12.500000 -23.887000 25 S B 2 "SER " " CB " 6 0 2 1 21.21 1972 25 + 1973 16 47.967000 -11.154000 -24.317000 25 S B 2 "SER " " OG " 8 0 2 1 27.74 1973 25 + 1974 43 46.067000 -11.073000 -21.921000 25 S B 2 "SER " " H " 1 0 2 1 17.39 1974 25 + 1975 41 47.230000 -13.729000 -22.228000 25 S B 2 "SER " " HA " 1 0 2 1 19.25 1975 25 + 1976 41 47.246000 -13.059000 -24.575000 25 S B 2 "SER " " HB3" 1 0 2 1 21.21 1976 25 + 1977 41 48.861000 -12.968000 -23.964000 25 S B 2 "SER " " HB2" 1 0 2 1 21.21 1977 25 + 1978 42 48.133000 -10.586000 -23.561000 25 S B 2 "SER " " HG " 1 0 2 1 27.74 1978 25 + 1979 25 49.302000 -12.861000 -21.096000 26 G B 2 "GLY " " N " 7 0 0 1 18.74 1979 26 + 1980 3 50.342000 -12.415000 -20.205000 26 G B 2 "GLY " " CA " 6 0 0 1 17.82 1980 26 + 1981 2 50.004000 -12.825000 -18.786000 26 G B 2 "GLY " " C " 6 0 0 1 20.01 1981 26 + 1982 15 50.861000 -12.595000 -17.940000 26 G B 2 "GLY " " O " 8 0 0 1 23.03 1982 26 + 1983 43 49.344000 -13.807000 -21.447000 26 G B 2 "GLY " " H " 1 0 0 1 18.74 1983 26 + 1984 41 50.426000 -11.330000 -20.259000 26 G B 2 "GLY " " HA3" 1 0 0 1 17.82 1984 26 + 1985 41 51.290000 -12.867000 -20.498000 26 G B 2 "GLY " " HA2" 1 0 0 1 17.82 1985 26 + 1986 25 48.849000 -13.425000 -18.455000 27 F B 2 "PHE " " N " 7 0 0 1 18.56 1986 27 + 1987 3 48.563000 -13.904000 -17.096000 27 F B 2 "PHE " " CA " 6 0 0 1 17.73 1987 27 + 1988 2 47.537000 -15.026000 -17.154000 27 F B 2 "PHE " " C " 6 0 0 1 18.21 1988 27 + 1989 15 46.823000 -15.173000 -18.157000 27 F B 2 "PHE " " O " 8 0 0 1 21.31 1989 27 + 1990 3 48.013000 -12.780000 -16.193000 27 F B 2 "PHE " " CB " 6 0 0 1 16.41 1990 27 + 1991 2 46.679000 -12.194000 -16.654000 27 F B 2 "PHE " " CG " 6 0 0 1 17.14 1991 27 + 1992 2 46.652000 -11.247000 -17.665000 27 F B 2 "PHE " " CD1" 6 0 0 1 16.29 1992 27 + 1993 2 45.499000 -12.593000 -16.041000 27 F B 2 "PHE " " CD2" 6 0 0 1 15.85 1993 27 + 1994 2 45.449000 -10.689000 -18.055000 27 F B 2 "PHE " " CE1" 6 0 0 1 15.84 1994 27 + 1995 2 44.295000 -12.052000 -16.430000 27 F B 2 "PHE " " CE2" 6 0 0 1 14.26 1995 27 + 1996 2 44.279000 -11.097000 -17.436000 27 F B 2 "PHE " " CZ " 6 0 0 1 17.5 1996 27 + 1997 43 48.133000 -13.563000 -19.154000 27 F B 2 "PHE " " H " 1 0 0 1 18.56 1997 27 + 1998 41 49.483000 -14.290000 -16.657000 27 F B 2 "PHE " " HA " 1 0 0 1 17.73 1998 27 + 1999 41 48.752000 -11.982000 -16.119000 27 F B 2 "PHE " " HB3" 1 0 0 1 16.41 1999 27 + 2000 41 47.911000 -13.153000 -15.174000 27 F B 2 "PHE " " HB2" 1 0 0 1 16.41 2000 27 + 2001 41 47.570000 -10.946000 -18.147000 27 F B 2 "PHE " " HD1" 1 0 0 1 16.29 2001 27 + 2002 41 45.523000 -13.332000 -15.254000 27 F B 2 "PHE " " HD2" 1 0 0 1 15.85 2002 27 + 2003 41 45.428000 -9.943000 -18.835000 27 F B 2 "PHE " " HE1" 1 0 0 1 15.84 2003 27 + 2004 41 43.380000 -12.372000 -15.954000 27 F B 2 "PHE " " HE2" 1 0 0 1 14.26 2004 27 + 2005 41 43.333000 -10.670000 -17.735000 27 F B 2 "PHE " " HZ " 1 0 0 1 17.5 2005 27 + 2006 25 47.411000 -15.830000 -16.114000 28 S B 2 "SER " " N " 7 0 0 1 19.56 2006 28 + 2007 3 46.436000 -16.908000 -16.082000 28 S B 2 "SER " " CA " 6 0 0 1 21.23 2007 28 + 2008 2 45.113000 -16.433000 -15.456000 28 S B 2 "SER " " C " 6 0 0 1 20.62 2008 28 + 2009 15 45.106000 -15.719000 -14.443000 28 S B 2 "SER " " O " 8 0 0 1 20.3 2009 28 + 2010 3 46.968000 -18.081000 -15.260000 28 S B 2 "SER " " CB " 6 0 0 1 23.53 2010 28 + 2011 16 46.024000 -19.159000 -15.232000 28 S B 2 "SER " " OG " 8 0 0 1 30.58 2011 28 + 2012 43 48.003000 -15.706000 -15.305000 28 S B 2 "SER " " H " 1 0 0 1 19.56 2012 28 + 2013 41 46.246000 -17.245000 -17.101000 28 S B 2 "SER " " HA " 1 0 0 1 21.23 2013 28 + 2014 41 47.170000 -17.749000 -14.242000 28 S B 2 "SER " " HB3" 1 0 0 1 23.53 2014 28 + 2015 41 47.906000 -18.431000 -15.692000 28 S B 2 "SER " " HB2" 1 0 0 1 23.53 2015 28 + 2016 42 46.279000 -19.825000 -15.874000 28 S B 2 "SER " " HG " 1 0 0 1 30.58 2016 28 + 2017 25 43.993000 -16.911000 -16.000000 29 L B 2 "LEU " " N " 7 0 0 1 18.64 2017 29 + 2018 3 42.710000 -16.543000 -15.451000 29 L B 2 "LEU " " CA " 6 0 0 1 20.7 2018 29 + 2019 2 42.420000 -17.248000 -14.128000 29 L B 2 "LEU " " C " 6 0 0 1 22.76 2019 29 + 2020 15 41.528000 -16.831000 -13.382000 29 L B 2 "LEU " " O " 8 0 0 1 22.97 2020 29 + 2021 3 41.611000 -16.838000 -16.474000 29 L B 2 "LEU " " CB " 6 0 0 1 17.15 2021 29 + 2022 3 41.524000 -15.822000 -17.629000 29 L B 2 "LEU " " CG " 6 0 0 1 17.5 2022 29 + 2023 3 40.508000 -16.336000 -18.618000 29 L B 2 "LEU " " CD1" 6 0 0 1 17.62 2023 29 + 2024 3 41.183000 -14.413000 -17.115000 29 L B 2 "LEU " " CD2" 6 0 0 1 16.81 2024 29 + 2025 43 44.043000 -17.531000 -16.796000 29 L B 2 "LEU " " H " 1 0 0 1 18.64 2025 29 + 2026 41 42.718000 -15.469000 -15.266000 29 L B 2 "LEU " " HA " 1 0 0 1 20.7 2026 29 + 2027 41 40.648000 -16.889000 -15.965000 29 L B 2 "LEU " " HB3" 1 0 0 1 17.15 2027 29 + 2028 41 41.757000 -17.838000 -16.883000 29 L B 2 "LEU " " HB2" 1 0 0 1 17.15 2028 29 + 2029 41 42.494000 -15.781000 -18.124000 29 L B 2 "LEU " " HG " 1 0 0 1 17.5 2029 29 + 2030 41 40.424000 -15.636000 -19.450000 29 L B 2 "LEU " "HD11" 1 0 0 1 17.62 2030 29 + 2031 41 40.825000 -17.309000 -18.993000 29 L B 2 "LEU " "HD12" 1 0 0 1 17.62 2031 29 + 2032 41 39.540000 -16.435000 -18.127000 29 L B 2 "LEU " "HD13" 1 0 0 1 17.62 2032 29 + 2033 41 41.130000 -13.722000 -17.956000 29 L B 2 "LEU " "HD21" 1 0 0 1 16.81 2033 29 + 2034 41 40.221000 -14.436000 -16.602000 29 L B 2 "LEU " "HD22" 1 0 0 1 16.81 2034 29 + 2035 41 41.956000 -14.082000 -16.422000 29 L B 2 "LEU " "HD23" 1 0 0 1 16.81 2035 29 + 2036 25 43.187000 -18.280000 -13.751000 30 T B 2 "THR " " N " 7 0 0 1 21.64 2036 30 + 2037 3 42.976000 -18.901000 -12.451000 30 T B 2 "THR " " CA " 6 0 0 1 23.14 2037 30 + 2038 2 43.527000 -18.003000 -11.315000 30 T B 2 "THR " " C " 6 0 0 1 24 2038 30 + 2039 15 43.037000 -18.018000 -10.171000 30 T B 2 "THR " " O " 8 0 0 1 26.72 2039 30 + 2040 3 43.653000 -20.318000 -12.432000 30 T B 2 "THR " " CB " 6 0 0 1 22.79 2040 30 + 2041 16 45.053000 -20.150000 -12.606000 30 T B 2 "THR " " OG1" 8 0 0 1 26.08 2041 30 + 2042 3 43.137000 -21.222000 -13.536000 30 T B 2 "THR " " CG2" 6 0 0 1 24.32 2042 30 + 2043 43 43.909000 -18.625000 -14.368000 30 T B 2 "THR " " H " 1 0 0 1 21.64 2043 30 + 2044 41 41.904000 -19.029000 -12.300000 30 T B 2 "THR " " HA " 1 0 0 1 23.14 2044 30 + 2045 41 43.467000 -20.790000 -11.467000 30 T B 2 "THR " " HB " 1 0 0 1 22.79 2045 30 + 2046 42 45.495000 -20.993000 -12.479000 30 T B 2 "THR " " HG1" 1 0 0 1 26.08 2046 30 + 2047 41 43.637000 -22.189000 -13.478000 30 T B 2 "THR " "HG21" 1 0 0 1 24.32 2047 30 + 2048 41 42.062000 -21.362000 -13.419000 30 T B 2 "THR " "HG22" 1 0 0 1 24.32 2048 30 + 2049 41 43.340000 -20.766000 -14.505000 30 T B 2 "THR " "HG23" 1 0 0 1 24.32 2049 30 + 2050 25 44.524000 -17.137000 -11.566000 31 G B 2 "GLY " " N " 7 0 0 1 20.88 2050 31 + 2051 3 45.126000 -16.338000 -10.518000 31 G B 2 "GLY " " CA " 6 0 0 1 15.23 2051 31 + 2052 2 44.585000 -14.934000 -10.391000 31 G B 2 "GLY " " C " 6 0 0 1 15.33 2052 31 + 2053 15 45.027000 -14.213000 -9.484000 31 G B 2 "GLY " " O " 8 0 0 1 15.41 2053 31 + 2054 43 44.874000 -17.029000 -12.507000 31 G B 2 "GLY " " H " 1 0 0 1 20.88 2054 31 + 2055 41 46.204000 -16.296000 -10.671000 31 G B 2 "GLY " " HA3" 1 0 0 1 15.23 2055 31 + 2056 41 45.017000 -16.854000 -9.564000 31 G B 2 "GLY " " HA2" 1 0 0 1 15.23 2056 31 + 2057 25 43.658000 -14.490000 -11.249000 32 Y B 2 "TYR " " N " 7 0 0 1 15.13 2057 32 + 2058 3 43.196000 -13.097000 -11.238000 32 Y B 2 "TYR " " CA " 6 0 0 1 14.68 2058 32 + 2059 2 41.710000 -12.987000 -11.520000 32 Y B 2 "TYR " " C " 6 0 0 1 14.32 2059 32 + 2060 15 41.143000 -13.846000 -12.189000 32 Y B 2 "TYR " " O " 8 0 0 1 17.57 2060 32 + 2061 3 43.891000 -12.222000 -12.307000 32 Y B 2 "TYR " " CB " 6 0 0 1 15.7 2061 32 + 2062 2 45.370000 -12.107000 -12.070000 32 Y B 2 "TYR " " CG " 6 0 0 1 16.43 2062 32 + 2063 2 46.196000 -13.092000 -12.594000 32 Y B 2 "TYR " " CD1" 6 0 0 1 16.49 2063 32 + 2064 2 45.858000 -11.081000 -11.286000 32 Y B 2 "TYR " " CD2" 6 0 0 1 16.88 2064 32 + 2065 2 47.535000 -13.059000 -12.321000 32 Y B 2 "TYR " " CE1" 6 0 0 1 19.32 2065 32 + 2066 2 47.200000 -11.036000 -11.012000 32 Y B 2 "TYR " " CE2" 6 0 0 1 18.33 2066 32 + 2067 2 48.011000 -12.032000 -11.533000 32 Y B 2 "TYR " " CZ " 6 0 0 1 21.5 2067 32 + 2068 16 49.354000 -12.005000 -11.246000 32 Y B 2 "TYR " " OH " 8 0 0 1 24.53 2068 32 + 2069 43 43.256000 -15.120000 -11.929000 32 Y B 2 "TYR " " H " 1 0 0 1 15.13 2069 32 + 2070 41 43.397000 -12.671000 -10.255000 32 Y B 2 "TYR " " HA " 1 0 0 1 14.68 2070 32 + 2071 41 43.445000 -11.227000 -12.307000 32 Y B 2 "TYR " " HB3" 1 0 0 1 15.7 2071 32 + 2072 41 43.714000 -12.648000 -13.295000 32 Y B 2 "TYR " " HB2" 1 0 0 1 15.7 2072 32 + 2073 41 45.779000 -13.874000 -13.211000 32 Y B 2 "TYR " " HD1" 1 0 0 1 16.49 2073 32 + 2074 41 45.185000 -10.330000 -10.899000 32 Y B 2 "TYR " " HD2" 1 0 0 1 16.88 2074 32 + 2075 41 48.186000 -13.823000 -12.719000 32 Y B 2 "TYR " " HE1" 1 0 0 1 19.32 2075 32 + 2076 41 47.601000 -10.238000 -10.404000 32 Y B 2 "TYR " " HE2" 1 0 0 1 18.33 2076 32 + 2077 42 49.556000 -11.219000 -10.733000 32 Y B 2 "TYR " " HH " 1 0 0 1 24.53 2077 32 + 2078 25 41.065000 -11.924000 -11.044000 33 G B 2 "GLY " " N " 7 0 2 1 14.65 2078 33 + 2079 3 39.686000 -11.730000 -11.411000 33 G B 2 "GLY " " CA " 6 0 2 1 14.8 2079 33 + 2080 2 39.614000 -10.832000 -12.656000 33 G B 2 "GLY " " C " 6 0 2 1 15.72 2080 33 + 2081 15 40.567000 -10.108000 -12.987000 33 G B 2 "GLY " " O " 8 0 2 1 15.72 2081 33 + 2082 43 41.543000 -11.273000 -10.438000 33 G B 2 "GLY " " H " 1 0 2 1 14.65 2082 33 + 2083 41 39.155000 -11.252000 -10.588000 33 G B 2 "GLY " " HA3" 1 0 2 1 14.8 2083 33 + 2084 41 39.230000 -12.695000 -11.632000 33 G B 2 "GLY " " HA2" 1 0 2 1 14.8 2084 33 + 2085 25 38.517000 -10.854000 -13.395000 34 V B 2 "VAL " " N " 7 0 2 1 14.94 2085 34 + 2086 3 38.293000 -9.944000 -14.502000 34 V B 2 "VAL " " CA " 6 0 2 1 14.19 2086 34 + 2087 2 36.941000 -9.277000 -14.227000 34 V B 2 "VAL " " C " 6 0 2 1 14.07 2087 34 + 2088 15 35.942000 -9.925000 -13.908000 34 V B 2 "VAL " " O " 8 0 2 1 12.92 2088 34 + 2089 3 38.247000 -10.687000 -15.870000 34 V B 2 "VAL " " CB " 6 0 2 1 13.39 2089 34 + 2090 3 37.964000 -9.743000 -17.027000 34 V B 2 "VAL " " CG1" 6 0 2 1 14.11 2090 34 + 2091 3 39.625000 -11.287000 -16.147000 34 V B 2 "VAL " " CG2" 6 0 2 1 16.22 2091 34 + 2092 43 37.789000 -11.526000 -13.198000 34 V B 2 "VAL " " H " 1 0 2 1 14.94 2092 34 + 2093 41 39.078000 -9.188000 -14.521000 34 V B 2 "VAL " " HA " 1 0 2 1 14.19 2093 34 + 2094 41 37.496000 -11.476000 -15.841000 34 V B 2 "VAL " " HB " 1 0 2 1 13.39 2094 34 + 2095 41 37.942000 -10.307000 -17.960000 34 V B 2 "VAL " "HG11" 1 0 2 1 14.11 2095 34 + 2096 41 37.000000 -9.258000 -16.873000 34 V B 2 "VAL " "HG12" 1 0 2 1 14.11 2096 34 + 2097 41 38.747000 -8.986000 -17.079000 34 V B 2 "VAL " "HG13" 1 0 2 1 14.11 2097 34 + 2098 41 39.608000 -11.811000 -17.103000 34 V B 2 "VAL " "HG21" 1 0 2 1 16.22 2098 34 + 2099 41 40.368000 -10.490000 -16.183000 34 V B 2 "VAL " "HG22" 1 0 2 1 16.22 2099 34 + 2100 41 39.883000 -11.988000 -15.353000 34 V B 2 "VAL " "HG23" 1 0 2 1 16.22 2100 34 + 2101 25 36.908000 -7.952000 -14.298000 35 N B 2 "ASN " " N " 7 0 2 1 12.04 2101 35 + 2102 3 35.716000 -7.133000 -14.065000 35 N B 2 "ASN " " CA " 6 0 2 1 12.5 2102 35 + 2103 2 35.261000 -6.595000 -15.412000 35 N B 2 "ASN " " C " 6 0 2 1 14.12 2103 35 + 2104 15 36.049000 -6.454000 -16.362000 35 N B 2 "ASN " " O " 8 0 2 1 15.61 2104 35 + 2105 3 36.000000 -5.913000 -13.189000 35 N B 2 "ASN " " CB " 6 0 2 1 12.12 2105 35 + 2106 2 36.279000 -6.196000 -11.729000 35 N B 2 "ASN " " CG " 6 0 2 1 14.94 2106 35 + 2107 15 35.683000 -5.576000 -10.848000 35 N B 2 "ASN " " OD1" 8 0 2 1 11.6 2107 35 + 2108 25 37.179000 -7.104000 -11.354000 35 N B 2 "ASN " " ND2" 7 0 2 1 13.74 2108 35 + 2109 43 37.746000 -7.437000 -14.527000 35 N B 2 "ASN " " H " 1 0 2 1 12.04 2109 35 + 2110 41 34.927000 -7.739000 -13.618000 35 N B 2 "ASN " " HA " 1 0 2 1 12.5 2110 35 + 2111 41 35.168000 -5.213000 -13.267000 35 N B 2 "ASN " " HB3" 1 0 2 1 12.12 2111 35 + 2112 41 36.834000 -5.353000 -13.612000 35 N B 2 "ASN " " HB2" 1 0 2 1 12.12 2112 35 + 2113 43 37.346000 -7.274000 -10.373000 35 N B 2 "ASN " "HD22" 1 0 2 1 13.74 2113 35 + 2114 43 37.694000 -7.623000 -12.051000 35 N B 2 "ASN " "HD21" 1 0 2 1 13.74 2114 35 + 2115 25 33.994000 -6.241000 -15.480000 36 W B 2 "TRP " " N " 7 0 2 1 12.47 2115 36 + 2116 3 33.417000 -5.665000 -16.660000 36 W B 2 "TRP " " CA " 6 0 2 1 12.22 2116 36 + 2117 2 32.828000 -4.341000 -16.173000 36 W B 2 "TRP " " C " 6 0 2 1 15.1 2117 36 + 2118 15 32.183000 -4.258000 -15.108000 36 W B 2 "TRP " " O " 8 0 2 1 10.7 2118 36 + 2119 3 32.319000 -6.588000 -17.212000 36 W B 2 "TRP " " CB " 6 0 2 1 14.82 2119 36 + 2120 2 32.823000 -7.791000 -17.999000 36 W B 2 "TRP " " CG " 6 0 2 1 15.53 2120 36 + 2121 2 32.881000 -9.043000 -17.458000 36 W B 2 "TRP " " CD1" 6 0 2 1 17.47 2121 36 + 2122 2 33.210000 -7.765000 -19.319000 36 W B 2 "TRP " " CD2" 6 0 2 1 16.99 2122 36 + 2123 25 33.295000 -9.810000 -18.442000 36 W B 2 "TRP " " NE1" 7 0 2 1 18.58 2123 36 + 2124 2 33.501000 -9.099000 -19.559000 36 W B 2 "TRP " " CE2" 6 0 2 1 17.54 2124 36 + 2125 2 33.342000 -6.798000 -20.310000 36 W B 2 "TRP " " CE3" 6 0 2 1 17.26 2125 36 + 2126 2 33.925000 -9.521000 -20.798000 36 W B 2 "TRP " " CZ2" 6 0 2 1 13.63 2126 36 + 2127 2 33.769000 -7.215000 -21.555000 36 W B 2 "TRP " " CZ3" 6 0 2 1 17.66 2127 36 + 2128 2 34.056000 -8.557000 -21.784000 36 W B 2 "TRP " " CH2" 6 0 2 1 17.17 2128 36 + 2129 43 33.389000 -6.372000 -14.682000 36 W B 2 "TRP " " H " 1 0 2 1 12.47 2129 36 + 2130 41 34.184000 -5.489000 -17.414000 36 W B 2 "TRP " " HA " 1 0 2 1 12.22 2130 36 + 2131 41 31.640000 -6.007000 -17.837000 36 W B 2 "TRP " " HB3" 1 0 2 1 14.82 2131 36 + 2132 41 31.691000 -6.932000 -16.391000 36 W B 2 "TRP " " HB2" 1 0 2 1 14.82 2132 36 + 2133 41 32.610000 -9.198000 -16.424000 36 W B 2 "TRP " " HD1" 1 0 2 1 17.47 2133 36 + 2134 43 33.417000 -10.801000 -18.293000 36 W B 2 "TRP " " HE1" 1 0 2 1 18.58 2134 36 + 2135 41 33.113000 -5.765000 -20.091000 36 W B 2 "TRP " " HE3" 1 0 2 1 17.26 2135 36 + 2136 41 34.140000 -10.566000 -20.968000 36 W B 2 "TRP " " HZ2" 1 0 2 1 13.63 2136 36 + 2137 41 33.881000 -6.499000 -22.355000 36 W B 2 "TRP " " HZ3" 1 0 2 1 17.66 2137 36 + 2138 41 34.391000 -8.837000 -22.772000 36 W B 2 "TRP " " HH2" 1 0 2 1 17.17 2138 36 + 2139 25 33.131000 -3.299000 -16.938000 37 V B 2 "VAL " " N " 7 0 2 1 15.2 2139 37 + 2140 3 32.776000 -1.917000 -16.652000 37 V B 2 "VAL " " CA " 6 0 2 1 15.14 2140 37 + 2141 2 32.253000 -1.258000 -17.932000 37 V B 2 "VAL " " C " 6 0 2 1 17.29 2141 37 + 2142 15 32.809000 -1.501000 -19.013000 37 V B 2 "VAL " " O " 8 0 2 1 16.71 2142 37 + 2143 3 34.068000 -1.203000 -16.128000 37 V B 2 "VAL " " CB " 6 0 2 1 13.69 2143 37 + 2144 3 33.844000 0.333000 -16.052000 37 V B 2 "VAL " " CG1" 6 0 2 1 14.15 2144 37 + 2145 3 34.437000 -1.713000 -14.764000 37 V B 2 "VAL " " CG2" 6 0 2 1 11.06 2145 37 + 2146 43 33.648000 -3.435000 -17.795000 37 V B 2 "VAL " " H " 1 0 2 1 15.2 2146 37 + 2147 41 32.004000 -1.888000 -15.883000 37 V B 2 "VAL " " HA " 1 0 2 1 15.14 2147 37 + 2148 41 34.889000 -1.407000 -16.816000 37 V B 2 "VAL " " HB " 1 0 2 1 13.69 2148 37 + 2149 41 34.751000 0.815000 -15.686000 37 V B 2 "VAL " "HG11" 1 0 2 1 14.15 2149 37 + 2150 41 33.605000 0.715000 -17.044000 37 V B 2 "VAL " "HG12" 1 0 2 1 14.15 2150 37 + 2151 41 33.019000 0.547000 -15.372000 37 V B 2 "VAL " "HG13" 1 0 2 1 14.15 2151 37 + 2152 41 35.337000 -1.205000 -14.417000 37 V B 2 "VAL " "HG21" 1 0 2 1 11.06 2152 37 + 2153 41 33.620000 -1.518000 -14.069000 37 V B 2 "VAL " "HG22" 1 0 2 1 11.06 2153 37 + 2154 41 34.622000 -2.786000 -14.815000 37 V B 2 "VAL " "HG23" 1 0 2 1 11.06 2154 37 + 2155 25 31.210000 -0.428000 -17.916000 38 R B 2 "ARG " " N " 7 0 2 1 16.8 2155 38 + 2156 3 30.857000 0.277000 -19.152000 38 R B 2 "ARG " " CA " 6 0 2 1 16.44 2156 38 + 2157 2 30.823000 1.793000 -18.933000 38 R B 2 "ARG " " C " 6 0 2 1 16.96 2157 38 + 2158 15 30.878000 2.297000 -17.796000 38 R B 2 "ARG " " O " 8 0 2 1 15.67 2158 38 + 2159 3 29.499000 -0.191000 -19.693000 38 R B 2 "ARG " " CB " 6 0 2 1 16.22 2159 38 + 2160 3 28.318000 0.185000 -18.834000 38 R B 2 "ARG " " CG " 6 0 2 1 17.29 2160 38 + 2161 3 27.067000 -0.424000 -19.381000 38 R B 2 "ARG " " CD " 6 0 2 1 19.24 2161 38 + 2162 25 25.955000 -0.020000 -18.550000 38 R B 2 "ARG " " NE " 7 0 2 1 24.47 2162 38 + 2163 2 24.713000 -0.499000 -18.711000 38 R B 2 "ARG " " CZ " 6 0 2 1 24.31 2163 38 + 2164 25 24.418000 -1.371000 -19.674000 38 R B 2 "ARG " " NH1" 7 0 2 1 23.72 2164 38 + 2165 31 23.760000 -0.095000 -17.866000 38 R B 2 "ARG " " NH2" 7 1 2 1 22.92 2165 38 + 2166 43 30.682000 -0.296000 -17.065000 38 R B 2 "ARG " " H " 1 0 2 1 16.8 2166 38 + 2167 41 31.618000 0.057000 -19.901000 38 R B 2 "ARG " " HA " 1 0 2 1 16.44 2167 38 + 2168 41 29.517000 -1.272000 -19.828000 38 R B 2 "ARG " " HB3" 1 0 2 1 16.22 2168 38 + 2169 41 29.355000 0.205000 -20.698000 38 R B 2 "ARG " " HB2" 1 0 2 1 16.22 2169 38 + 2170 41 28.215000 1.270000 -18.814000 38 R B 2 "ARG " " HG3" 1 0 2 1 17.29 2170 38 + 2171 41 28.481000 -0.172000 -17.817000 38 R B 2 "ARG " " HG2" 1 0 2 1 17.29 2171 38 + 2172 41 27.155000 -1.510000 -19.366000 38 R B 2 "ARG " " HD3" 1 0 2 1 19.24 2172 38 + 2173 41 26.906000 -0.070000 -20.399000 38 R B 2 "ARG " " HD2" 1 0 2 1 19.24 2173 38 + 2174 43 26.146000 0.654000 -17.822000 38 R B 2 "ARG " " HE " 1 0 2 1 24.47 2174 38 + 2175 43 23.473000 -1.715000 -19.772000 38 R B 2 "ARG " "HH12" 1 0 2 1 23.72 2175 38 + 2176 43 25.139000 -1.688000 -20.306000 38 R B 2 "ARG " "HH11" 1 0 2 1 23.72 2176 38 + 2177 44 22.816000 -0.441000 -17.966000 38 R B 2 "ARG " "HH22" 1 0 2 1 22.92 2177 38 + 2178 44 23.983000 0.557000 -17.127000 38 R B 2 "ARG " "HH21" 1 0 2 1 22.92 2178 38 + 2179 25 30.847000 2.556000 -20.012000 39 Q B 2 "GLN " " N " 7 0 2 1 16.49 2179 39 + 2180 3 30.822000 4.002000 -19.917000 39 Q B 2 "GLN " " CA " 6 0 2 1 16.61 2180 39 + 2181 2 29.917000 4.541000 -21.015000 39 Q B 2 "GLN " " C " 6 0 2 1 19.66 2181 39 + 2182 15 30.293000 4.444000 -22.195000 39 Q B 2 "GLN " " O " 8 0 2 1 19.28 2182 39 + 2183 3 32.225000 4.536000 -20.080000 39 Q B 2 "GLN " " CB " 6 0 2 1 13.66 2183 39 + 2184 3 32.281000 6.044000 -20.029000 39 Q B 2 "GLN " " CG " 6 0 2 1 15.22 2184 39 + 2185 2 33.716000 6.492000 -19.925000 39 Q B 2 "GLN " " CD " 6 0 2 1 17.59 2185 39 + 2186 15 34.624000 5.852000 -20.471000 39 Q B 2 "GLN " " OE1" 8 0 2 1 21 2186 39 + 2187 25 33.981000 7.526000 -19.143000 39 Q B 2 "GLN " " NE2" 7 0 2 1 16.29 2187 39 + 2188 43 30.884000 2.133000 -20.929000 39 Q B 2 "GLN " " H " 1 0 2 1 16.49 2188 39 + 2189 41 30.430000 4.297000 -18.944000 39 Q B 2 "GLN " " HA " 1 0 2 1 16.61 2189 39 + 2190 41 32.636000 4.190000 -21.028000 39 Q B 2 "GLN " " HB3" 1 0 2 1 13.66 2190 39 + 2191 41 32.863000 4.123000 -19.298000 39 Q B 2 "GLN " " HB2" 1 0 2 1 13.66 2191 39 + 2192 41 31.726000 6.399000 -19.161000 39 Q B 2 "GLN " " HG3" 1 0 2 1 15.22 2192 39 + 2193 41 31.837000 6.455000 -20.936000 39 Q B 2 "GLN " " HG2" 1 0 2 1 15.22 2193 39 + 2194 43 34.931000 7.856000 -19.047000 39 Q B 2 "GLN " "HE22" 1 0 2 1 16.29 2194 39 + 2195 43 33.234000 7.985000 -18.642000 39 Q B 2 "GLN " "HE21" 1 0 2 1 16.29 2195 39 + 2196 25 28.701000 5.043000 -20.748000 40 P B 2 "PRO " " N " 7 0 0 1 21.08 2196 40 + 2197 3 27.815000 5.638000 -21.748000 40 P B 2 "PRO " " CA " 6 0 0 1 23.48 2197 40 + 2198 2 28.489000 6.863000 -22.344000 40 P B 2 "PRO " " C " 6 0 0 1 25.08 2198 40 + 2199 15 29.371000 7.454000 -21.699000 40 P B 2 "PRO " " O " 8 0 0 1 23.75 2199 40 + 2200 3 26.529000 5.963000 -20.992000 40 P B 2 "PRO " " CB " 6 0 0 1 23.01 2200 40 + 2201 3 26.591000 5.019000 -19.823000 40 P B 2 "PRO " " CG " 6 0 0 1 23.55 2201 40 + 2202 3 28.061000 5.081000 -19.433000 40 P B 2 "PRO " " CD " 6 0 0 1 23.25 2202 40 + 2203 41 27.607000 4.913000 -22.534000 40 P B 2 "PRO " " HA " 1 0 0 1 23.48 2203 40 + 2204 41 25.672000 5.707000 -21.615000 40 P B 2 "PRO " " HB3" 1 0 0 1 23.01 2204 40 + 2205 41 26.576000 6.989000 -20.628000 40 P B 2 "PRO " " HB2" 1 0 0 1 23.01 2205 40 + 2206 41 26.352000 4.011000 -20.163000 40 P B 2 "PRO " " HG3" 1 0 0 1 23.55 2206 40 + 2207 41 25.986000 5.417000 -19.008000 40 P B 2 "PRO " " HG2" 1 0 0 1 23.55 2207 40 + 2208 41 28.266000 6.043000 -18.964000 40 P B 2 "PRO " " HD2" 1 0 0 1 23.25 2208 40 + 2209 41 28.323000 4.178000 -18.882000 40 P B 2 "PRO " " HD3" 1 0 0 1 23.25 2209 40 + 2210 25 28.123000 7.263000 -23.564000 41 P B 2 "PRO " " N " 7 0 0 1 30.06 2210 41 + 2211 3 28.678000 8.423000 -24.256000 41 P B 2 "PRO " " CA " 6 0 0 1 30.5 2211 41 + 2212 2 28.669000 9.636000 -23.356000 41 P B 2 "PRO " " C " 6 0 0 1 30.23 2212 41 + 2213 15 27.635000 9.988000 -22.788000 41 P B 2 "PRO " " O " 8 0 0 1 29.21 2213 41 + 2214 3 27.804000 8.588000 -25.478000 41 P B 2 "PRO " " CB " 6 0 0 1 32.64 2214 41 + 2215 3 27.402000 7.162000 -25.789000 41 P B 2 "PRO " " CG " 6 0 0 1 33.24 2215 41 + 2216 3 27.101000 6.616000 -24.394000 41 P B 2 "PRO " " CD " 6 0 0 1 31.51 2216 41 + 2217 41 29.700000 8.207000 -24.566000 41 P B 2 "PRO " " HA " 1 0 0 1 30.5 2217 41 + 2218 41 28.405000 8.979000 -26.299000 41 P B 2 "PRO " " HB3" 1 0 0 1 32.64 2218 41 + 2219 41 26.916000 9.161000 -25.210000 41 P B 2 "PRO " " HB2" 1 0 0 1 32.64 2219 41 + 2220 41 28.259000 6.631000 -26.204000 41 P B 2 "PRO " " HG3" 1 0 0 1 33.24 2220 41 + 2221 41 26.484000 7.169000 -26.376000 41 P B 2 "PRO " " HG2" 1 0 0 1 33.24 2221 41 + 2222 41 26.114000 6.957000 -24.080000 41 P B 2 "PRO " " HD2" 1 0 0 1 31.51 2222 41 + 2223 41 27.262000 5.538000 -24.387000 41 P B 2 "PRO " " HD3" 1 0 0 1 31.51 2223 41 + 2224 25 29.880000 10.146000 -23.151000 42 G B 2 "GLY " " N " 7 0 0 1 32.56 2224 42 + 2225 3 30.141000 11.317000 -22.331000 42 G B 2 "GLY " " CA " 6 0 0 1 32.56 2225 42 + 2226 2 29.638000 11.183000 -20.900000 42 G B 2 "GLY " " C " 6 0 0 1 34.06 2226 42 + 2227 15 29.242000 12.183000 -20.297000 42 G B 2 "GLY " " O " 8 0 0 1 33.26 2227 42 + 2228 43 30.688000 9.716000 -23.578000 42 G B 2 "GLY " " H " 1 0 0 1 32.56 2228 42 + 2229 41 29.685000 12.192000 -22.794000 42 G B 2 "GLY " " HA3" 1 0 0 1 32.56 2229 42 + 2230 41 31.212000 11.520000 -22.320000 42 G B 2 "GLY " " HA2" 1 0 0 1 32.56 2230 42 + 2231 25 29.598000 9.956000 -20.355000 43 K B 2 "LYS " " N " 7 0 0 1 32 2231 43 + 2232 3 29.167000 9.719000 -18.989000 43 K B 2 "LYS " " CA " 6 0 0 1 29.32 2232 43 + 2233 2 30.296000 9.085000 -18.188000 43 K B 2 "LYS " " C " 6 0 0 1 24.44 2233 43 + 2234 15 31.385000 8.866000 -18.723000 43 K B 2 "LYS " " O " 8 0 0 1 22.52 2234 43 + 2235 3 27.964000 8.798000 -18.987000 43 K B 2 "LYS " " CB " 6 0 0 1 33.08 2235 43 + 2236 3 26.579000 9.402000 -18.820000 43 K B 2 "LYS " " CG " 6 0 0 1 41.04 2236 43 + 2237 3 26.207000 10.427000 -19.882000 43 K B 2 "LYS " " CD " 6 0 0 1 46.43 2237 43 + 2238 3 24.730000 10.769000 -19.782000 43 K B 2 "LYS " " CE " 6 0 0 1 50.36 2238 43 + 2239 32 24.442000 12.021000 -20.462000 43 K B 2 "LYS " " NZ " 7 1 0 1 53.25 2239 43 + 2240 43 29.875000 9.152000 -20.900000 43 K B 2 "LYS " " H " 1 0 0 1 32 2240 43 + 2241 41 28.892000 10.669000 -18.530000 43 K B 2 "LYS " " HA " 1 0 0 1 29.32 2241 43 + 2242 41 28.109000 8.025000 -18.232000 43 K B 2 "LYS " " HB3" 1 0 0 1 33.08 2242 43 + 2243 41 27.980000 8.189000 -19.891000 43 K B 2 "LYS " " HB2" 1 0 0 1 33.08 2243 43 + 2244 41 26.501000 9.859000 -17.834000 43 K B 2 "LYS " " HG3" 1 0 0 1 41.04 2244 43 + 2245 41 25.836000 8.605000 -18.812000 43 K B 2 "LYS " " HG2" 1 0 0 1 41.04 2245 43 + 2246 41 26.419000 10.019000 -20.870000 43 K B 2 "LYS " " HD3" 1 0 0 1 46.43 2246 43 + 2247 41 26.799000 11.331000 -19.738000 43 K B 2 "LYS " " HD2" 1 0 0 1 46.43 2247 43 + 2248 41 24.447000 10.852000 -18.733000 43 K B 2 "LYS " " HE3" 1 0 0 1 50.36 2248 43 + 2249 41 24.141000 9.969000 -20.230000 43 K B 2 "LYS " " HE2" 1 0 0 1 50.36 2249 43 + 2250 44 24.692000 11.940000 -21.437000 43 K B 2 "LYS " " HZ1" 1 0 0 1 53.25 2250 43 + 2251 44 23.457000 12.229000 -20.383000 43 K B 2 "LYS " " HZ2" 1 0 0 1 53.25 2251 43 + 2252 44 24.977000 12.766000 -20.039000 43 K B 2 "LYS " " HZ3" 1 0 0 1 53.25 2252 43 + 2253 25 30.070000 8.772000 -16.915000 44 G B 2 "GLY " " N " 7 0 0 1 20.86 2253 44 + 2254 3 31.065000 8.194000 -16.044000 44 G B 2 "GLY " " CA " 6 0 0 1 17.04 2254 44 + 2255 2 31.052000 6.678000 -16.109000 44 G B 2 "GLY " " C " 6 0 0 1 16.3 2255 44 + 2256 15 30.279000 6.074000 -16.851000 44 G B 2 "GLY " " O " 8 0 0 1 17.97 2256 44 + 2257 43 29.160000 8.937000 -16.508000 44 G B 2 "GLY " " H " 1 0 0 1 20.86 2257 44 + 2258 41 30.880000 8.515000 -15.019000 44 G B 2 "GLY " " HA3" 1 0 0 1 17.04 2258 44 + 2259 41 32.052000 8.561000 -16.327000 44 G B 2 "GLY " " HA2" 1 0 0 1 17.04 2259 44 + 2260 25 31.920000 6.031000 -15.345000 45 L B 2 "LEU " " N " 7 0 0 1 17.07 2260 45 + 2261 3 32.060000 4.576000 -15.391000 45 L B 2 "LEU " " CA " 6 0 0 1 16.32 2261 45 + 2262 2 30.990000 3.891000 -14.573000 45 L B 2 "LEU " " C " 6 0 0 1 14.23 2262 45 + 2263 15 30.569000 4.453000 -13.551000 45 L B 2 "LEU " " O " 8 0 0 1 14.47 2263 45 + 2264 3 33.448000 4.219000 -14.882000 45 L B 2 "LEU " " CB " 6 0 0 1 14.93 2264 45 + 2265 3 34.611000 4.833000 -15.668000 45 L B 2 "LEU " " CG " 6 0 0 1 17.81 2265 45 + 2266 3 35.896000 4.633000 -14.878000 45 L B 2 "LEU " " CD1" 6 0 0 1 16.14 2266 45 + 2267 3 34.671000 4.224000 -17.083000 45 L B 2 "LEU " " CD2" 6 0 0 1 16.36 2267 45 + 2268 43 32.511000 6.544000 -14.706000 45 L B 2 "LEU " " H " 1 0 0 1 17.07 2268 45 + 2269 41 31.972000 4.248000 -16.427000 45 L B 2 "LEU " " HA " 1 0 0 1 16.32 2269 45 + 2270 41 33.558000 3.135000 -14.865000 45 L B 2 "LEU " " HB3" 1 0 0 1 14.93 2270 45 + 2271 41 33.532000 4.504000 -13.833000 45 L B 2 "LEU " " HB2" 1 0 0 1 14.93 2271 45 + 2272 41 34.432000 5.904000 -15.764000 45 L B 2 "LEU " " HG " 1 0 0 1 17.81 2272 45 + 2273 41 36.732000 5.066000 -15.427000 45 L B 2 "LEU " "HD11" 1 0 0 1 16.14 2273 45 + 2274 41 35.807000 5.122000 -13.908000 45 L B 2 "LEU " "HD12" 1 0 0 1 16.14 2274 45 + 2275 41 36.071000 3.567000 -14.732000 45 L B 2 "LEU " "HD13" 1 0 0 1 16.14 2275 45 + 2276 41 35.501000 4.666000 -17.635000 45 L B 2 "LEU " "HD21" 1 0 0 1 16.36 2276 45 + 2277 41 34.818000 3.146000 -17.009000 45 L B 2 "LEU " "HD22" 1 0 0 1 16.36 2277 45 + 2278 41 33.737000 4.428000 -17.607000 45 L B 2 "LEU " "HD23" 1 0 0 1 16.36 2278 45 + 2279 25 30.543000 2.712000 -15.005000 46 E B 2 "GLU " " N " 7 0 2 1 14.33 2279 46 + 2280 3 29.525000 1.952000 -14.307000 46 E B 2 "GLU " " CA " 6 0 2 1 16.01 2280 46 + 2281 2 30.016000 0.532000 -14.152000 46 E B 2 "GLU " " C " 6 0 2 1 16.21 2281 46 + 2282 15 30.392000 -0.055000 -15.174000 46 E B 2 "GLU " " O " 8 0 2 1 15.95 2282 46 + 2283 3 28.279000 1.958000 -15.119000 46 E B 2 "GLU " " CB " 6 0 2 1 16.89 2283 46 + 2284 3 27.088000 1.257000 -14.509000 46 E B 2 "GLU " " CG " 6 0 2 1 24.86 2284 46 + 2285 2 25.834000 1.283000 -15.382000 46 E B 2 "GLU " " CD " 6 0 2 1 28.86 2285 46 + 2286 15 25.737000 2.058000 -16.344000 46 E B 2 "GLU " " OE1" 8 0 2 1 34.68 2286 46 + 2287 18 24.934000 0.506000 -15.087000 46 E B 2 "GLU " " OE2" 8 -1 2 1 33.57 2287 46 + 2288 43 30.915000 2.311000 -15.854000 46 E B 2 "GLU " " H " 1 0 2 1 14.33 2288 46 + 2289 41 29.336000 2.391000 -13.328000 46 E B 2 "GLU " " HA " 1 0 2 1 16.01 2289 46 + 2290 41 28.486000 1.528000 -16.099000 46 E B 2 "GLU " " HB3" 1 0 2 1 16.89 2290 46 + 2291 41 28.008000 2.987000 -15.355000 46 E B 2 "GLU " " HB2" 1 0 2 1 16.89 2291 46 + 2292 41 26.863000 1.703000 -13.540000 46 E B 2 "GLU " " HG3" 1 0 2 1 24.86 2292 46 + 2293 41 27.352000 0.223000 -14.287000 46 E B 2 "GLU " " HG2" 1 0 2 1 24.86 2293 46 + 2294 25 30.054000 -0.021000 -12.931000 47 W B 2 "TRP " " N " 7 0 2 1 14.23 2294 47 + 2295 3 30.489000 -1.404000 -12.698000 47 W B 2 "TRP " " CA " 6 0 2 1 16.28 2295 47 + 2296 2 29.367000 -2.395000 -13.051000 47 W B 2 "TRP " " C " 6 0 2 1 16.02 2296 47 + 2297 15 28.195000 -2.206000 -12.679000 47 W B 2 "TRP " " O " 8 0 2 1 17.99 2297 47 + 2298 3 30.924000 -1.573000 -11.210000 47 W B 2 "TRP " " CB " 6 0 2 1 15.69 2298 47 + 2299 2 31.604000 -2.899000 -10.816000 47 W B 2 "TRP " " CG " 6 0 2 1 14.2 2299 47 + 2300 2 32.942000 -3.087000 -11.073000 47 W B 2 "TRP " " CD1" 6 0 2 1 15.76 2300 47 + 2301 2 31.021000 -4.005000 -10.200000 47 W B 2 "TRP " " CD2" 6 0 2 1 16.79 2301 47 + 2302 25 33.205000 -4.291000 -10.624000 47 W B 2 "TRP " " NE1" 7 0 2 1 15.94 2302 47 + 2303 2 32.102000 -4.884000 -10.109000 47 W B 2 "TRP " " CE2" 6 0 2 1 17.8 2303 47 + 2304 2 29.775000 -4.420000 -9.716000 47 W B 2 "TRP " " CE3" 6 0 2 1 18.06 2304 47 + 2305 2 31.961000 -6.149000 -9.535000 47 W B 2 "TRP " " CZ2" 6 0 2 1 14.61 2305 47 + 2306 2 29.641000 -5.683000 -9.148000 47 W B 2 "TRP " " CZ3" 6 0 2 1 14.08 2306 47 + 2307 2 30.714000 -6.542000 -9.062000 47 W B 2 "TRP " " CH2" 6 0 2 1 14.96 2307 47 + 2308 43 29.776000 0.518000 -12.124000 47 W B 2 "TRP " " H " 1 0 2 1 14.23 2308 47 + 2309 41 31.348000 -1.610000 -13.337000 47 W B 2 "TRP " " HA " 1 0 2 1 16.28 2309 47 + 2310 41 30.062000 -1.407000 -10.564000 47 W B 2 "TRP " " HB3" 1 0 2 1 15.69 2310 47 + 2311 41 31.571000 -0.742000 -10.930000 47 W B 2 "TRP " " HB2" 1 0 2 1 15.69 2311 47 + 2312 41 33.515000 -2.306000 -11.552000 47 W B 2 "TRP " " HD1" 1 0 2 1 15.76 2312 47 + 2313 43 34.142000 -4.661000 -10.690000 47 W B 2 "TRP " " HE1" 1 0 2 1 15.94 2313 47 + 2314 41 28.922000 -3.761000 -9.784000 47 W B 2 "TRP " " HE3" 1 0 2 1 18.06 2314 47 + 2315 41 32.814000 -6.807000 -9.463000 47 W B 2 "TRP " " HZ2" 1 0 2 1 14.61 2315 47 + 2316 41 28.683000 -6.004000 -8.765000 47 W B 2 "TRP " " HZ3" 1 0 2 1 14.08 2316 47 + 2317 41 30.586000 -7.522000 -8.626000 47 W B 2 "TRP " " HH2" 1 0 2 1 14.96 2317 47 + 2318 25 29.689000 -3.439000 -13.823000 48 L B 2 "LEU " " N " 7 0 2 1 12.01 2318 48 + 2319 3 28.701000 -4.440000 -14.206000 48 L B 2 "LEU " " CA " 6 0 2 1 12.15 2319 48 + 2320 2 28.826000 -5.725000 -13.415000 48 L B 2 "LEU " " C " 6 0 2 1 12.97 2320 48 + 2321 15 27.803000 -6.295000 -13.022000 48 L B 2 "LEU " " O " 8 0 2 1 13.25 2321 48 + 2322 3 28.812000 -4.766000 -15.708000 48 L B 2 "LEU " " CB " 6 0 2 1 12.88 2322 48 + 2323 3 28.613000 -3.554000 -16.634000 48 L B 2 "LEU " " CG " 6 0 2 1 18.4 2323 48 + 2324 3 28.852000 -3.959000 -18.075000 48 L B 2 "LEU " " CD1" 6 0 2 1 18.9 2324 48 + 2325 3 27.210000 -2.998000 -16.481000 48 L B 2 "LEU " " CD2" 6 0 2 1 15.5 2325 48 + 2326 43 30.636000 -3.548000 -14.155000 48 L B 2 "LEU " " H " 1 0 2 1 12.01 2326 48 + 2327 41 27.710000 -4.025000 -14.022000 48 L B 2 "LEU " " HA " 1 0 2 1 12.15 2327 48 + 2328 41 28.088000 -5.539000 -15.964000 48 L B 2 "LEU " " HB3" 1 0 2 1 12.88 2328 48 + 2329 41 29.783000 -5.218000 -15.909000 48 L B 2 "LEU " " HB2" 1 0 2 1 12.88 2329 48 + 2330 41 29.331000 -2.780000 -16.361000 48 L B 2 "LEU " " HG " 1 0 2 1 18.4 2330 48 + 2331 41 28.709000 -3.095000 -18.724000 48 L B 2 "LEU " "HD11" 1 0 2 1 18.9 2331 48 + 2332 41 29.871000 -4.330000 -18.184000 48 L B 2 "LEU " "HD12" 1 0 2 1 18.9 2332 48 + 2333 41 28.148000 -4.743000 -18.354000 48 L B 2 "LEU " "HD13" 1 0 2 1 18.9 2333 48 + 2334 41 27.084000 -2.141000 -17.142000 48 L B 2 "LEU " "HD21" 1 0 2 1 15.5 2334 48 + 2335 41 26.483000 -3.767000 -16.742000 48 L B 2 "LEU " "HD22" 1 0 2 1 15.5 2335 48 + 2336 41 27.053000 -2.686000 -15.449000 48 L B 2 "LEU " "HD23" 1 0 2 1 15.5 2336 48 + 2337 25 30.035000 -6.171000 -13.084000 49 G B 2 "GLY " " N " 7 0 2 1 13.08 2337 49 + 2338 3 30.211000 -7.432000 -12.404000 49 G B 2 "GLY " " CA " 6 0 2 1 12.99 2338 49 + 2339 2 31.609000 -7.968000 -12.579000 49 G B 2 "GLY " " C " 6 0 2 1 14.15 2339 49 + 2340 15 32.454000 -7.299000 -13.190000 49 G B 2 "GLY " " O " 8 0 2 1 13.72 2340 49 + 2341 43 30.854000 -5.624000 -13.308000 49 G B 2 "GLY " " H " 1 0 2 1 13.08 2341 49 + 2342 41 29.494000 -8.156000 -12.791000 49 G B 2 "GLY " " HA3" 1 0 2 1 12.99 2342 49 + 2343 41 30.002000 -7.304000 -11.342000 49 G B 2 "GLY " " HA2" 1 0 2 1 12.99 2343 49 + 2344 25 31.859000 -9.164000 -12.059000 50 M B 2 "MET " " N " 7 0 2 1 13.88 2344 50 + 2345 3 33.170000 -9.785000 -12.130000 50 M B 2 "MET " " CA " 6 0 2 1 13.06 2345 50 + 2346 2 33.103000 -11.301000 -12.006000 50 M B 2 "MET " " C " 6 0 2 1 14.12 2346 50 + 2347 15 32.080000 -11.876000 -11.620000 50 M B 2 "MET " " O " 8 0 2 1 13.38 2347 50 + 2348 3 34.037000 -9.246000 -11.017000 50 M B 2 "MET " " CB " 6 0 2 1 13.98 2348 50 + 2349 3 33.638000 -9.738000 -9.612000 50 M B 2 "MET " " CG " 6 0 2 1 12.71 2349 50 + 2350 49 34.588000 -8.921000 -8.354000 50 M B 2 "MET " " SD " 16 0 2 1 16.17 2350 50 + 2351 3 36.130000 -9.691000 -8.681000 50 M B 2 "MET " " CE " 6 0 2 1 9.57 2351 50 + 2352 43 31.123000 -9.676000 -11.593000 50 M B 2 "MET " " H " 1 0 2 1 13.88 2352 50 + 2353 41 33.628000 -9.531000 -13.086000 50 M B 2 "MET " " HA " 1 0 2 1 13.06 2353 50 + 2354 41 34.016000 -8.156000 -11.038000 50 M B 2 "MET " " HB3" 1 0 2 1 13.98 2354 50 + 2355 41 35.077000 -9.509000 -11.210000 50 M B 2 "MET " " HB2" 1 0 2 1 13.98 2355 50 + 2356 41 33.797000 -10.814000 -9.546000 50 M B 2 "MET " " HG3" 1 0 2 1 12.71 2356 50 + 2357 41 32.578000 -9.546000 -9.448000 50 M B 2 "MET " " HG2" 1 0 2 1 12.71 2357 50 + 2358 41 36.881000 -9.311000 -7.988000 50 M B 2 "MET " " HE1" 1 0 2 1 9.57 2358 50 + 2359 41 36.032000 -10.769000 -8.555000 50 M B 2 "MET " " HE2" 1 0 2 1 9.57 2359 50 + 2360 41 36.437000 -9.471000 -9.704000 50 M B 2 "MET " " HE3" 1 0 2 1 9.57 2360 50 + 2361 25 34.218000 -11.932000 -12.345000 51 I B 2 "ILE " " N " 7 0 2 1 15.02 2361 51 + 2362 3 34.414000 -13.350000 -12.139000 51 I B 2 "ILE " " CA " 6 0 2 1 14.89 2362 51 + 2363 2 35.837000 -13.422000 -11.570000 51 I B 2 "ILE " " C " 6 0 2 1 15.19 2363 51 + 2364 15 36.815000 -12.769000 -12.018000 51 I B 2 "ILE " " O " 8 0 2 1 10.95 2364 51 + 2365 3 34.244000 -14.146000 -13.491000 51 I B 2 "ILE " " CB " 6 0 2 1 14.38 2365 51 + 2366 3 34.357000 -15.655000 -13.155000 51 I B 2 "ILE " " CG1" 6 0 2 1 14.06 2366 51 + 2367 3 35.237000 -13.655000 -14.574000 51 I B 2 "ILE " " CG2" 6 0 2 1 11.62 2367 51 + 2368 3 33.777000 -16.639000 -14.218000 51 I B 2 "ILE " " CD1" 6 0 2 1 12.56 2368 51 + 2369 43 34.979000 -11.420000 -12.768000 51 I B 2 "ILE " " H " 1 0 2 1 15.02 2369 51 + 2370 41 33.702000 -13.718000 -11.401000 51 I B 2 "ILE " " HA " 1 0 2 1 14.89 2370 51 + 2371 41 33.235000 -13.963000 -13.859000 51 I B 2 "ILE " " HB " 1 0 2 1 14.38 2371 51 + 2372 41 33.883000 -15.845000 -12.192000 51 I B 2 "ILE " "HG13" 1 0 2 1 14.06 2372 51 + 2373 41 35.401000 -15.904000 -12.966000 51 I B 2 "ILE " "HG12" 1 0 2 1 14.06 2373 51 + 2374 41 35.089000 -14.227000 -15.490000 51 I B 2 "ILE " "HG21" 1 0 2 1 11.62 2374 51 + 2375 41 35.063000 -12.598000 -14.775000 51 I B 2 "ILE " "HG22" 1 0 2 1 11.62 2375 51 + 2376 41 36.259000 -13.794000 -14.221000 51 I B 2 "ILE " "HG23" 1 0 2 1 11.62 2376 51 + 2377 41 33.912000 -17.665000 -13.876000 51 I B 2 "ILE " "HD11" 1 0 2 1 12.56 2377 51 + 2378 41 32.714000 -16.440000 -14.357000 51 I B 2 "ILE " "HD12" 1 0 2 1 12.56 2378 51 + 2379 41 34.299000 -16.501000 -15.165000 51 I B 2 "ILE " "HD13" 1 0 2 1 12.56 2379 51 + 2380 25 35.809000 -14.065000 -10.397000 52 W B 2 "TRP " " N " 7 0 0 1 11.32 2380 52 + 2381 3 37.013000 -14.326000 -9.635000 52 W B 2 "TRP " " CA " 6 0 0 1 12.24 2381 52 + 2382 2 37.841000 -15.442000 -10.285000 52 W B 2 "TRP " " C " 6 0 0 1 10.15 2382 52 + 2383 15 37.302000 -16.259000 -11.035000 52 W B 2 "TRP " " O " 8 0 0 1 15.58 2383 52 + 2384 3 36.632000 -14.724000 -8.195000 52 W B 2 "TRP " " CB " 6 0 0 1 12.73 2384 52 + 2385 2 35.954000 -13.630000 -7.377000 52 W B 2 "TRP " " CG " 6 0 0 1 12.96 2385 52 + 2386 2 34.591000 -13.448000 -7.392000 52 W B 2 "TRP " " CD1" 6 0 0 1 12.9 2386 52 + 2387 2 36.593000 -12.707000 -6.602000 52 W B 2 "TRP " " CD2" 6 0 0 1 12.49 2387 52 + 2388 25 34.372000 -12.398000 -6.648000 52 W B 2 "TRP " " NE1" 7 0 0 1 12.02 2388 52 + 2389 2 35.529000 -11.924000 -6.149000 52 W B 2 "TRP " " CE2" 6 0 0 1 13.57 2389 52 + 2390 2 37.874000 -12.392000 -6.221000 52 W B 2 "TRP " " CE3" 6 0 0 1 10.28 2390 52 + 2391 2 35.739000 -10.833000 -5.312000 52 W B 2 "TRP " " CZ2" 6 0 0 1 13.37 2391 52 + 2392 2 38.077000 -11.306000 -5.391000 52 W B 2 "TRP " " CZ3" 6 0 0 1 13.2 2392 52 + 2393 2 37.038000 -10.522000 -4.944000 52 W B 2 "TRP " " CH2" 6 0 0 1 13.29 2393 52 + 2394 43 34.929000 -14.385000 -10.017000 52 W B 2 "TRP " " H " 1 0 0 1 11.32 2394 52 + 2395 41 37.613000 -13.416000 -9.602000 52 W B 2 "TRP " " HA " 1 0 0 1 12.24 2395 52 + 2396 41 37.522000 -15.068000 -7.669000 52 W B 2 "TRP " " HB3" 1 0 0 1 12.73 2396 52 + 2397 41 35.990000 -15.604000 -8.222000 52 W B 2 "TRP " " HB2" 1 0 0 1 12.73 2397 52 + 2398 41 33.962000 -14.123000 -7.954000 52 W B 2 "TRP " " HD1" 1 0 0 1 12.9 2398 52 + 2399 43 33.430000 -12.057000 -6.520000 52 W B 2 "TRP " " HE1" 1 0 0 1 12.02 2399 52 + 2400 41 38.703000 -12.989000 -6.570000 52 W B 2 "TRP " " HE3" 1 0 0 1 10.28 2400 52 + 2401 41 34.899000 -10.250000 -4.964000 52 W B 2 "TRP " " HZ2" 1 0 0 1 13.37 2401 52 + 2402 41 39.076000 -11.049000 -5.073000 52 W B 2 "TRP " " HZ3" 1 0 0 1 13.2 2402 52 + 2403 41 37.230000 -9.669000 -4.310000 52 W B 2 "TRP " " HH2" 1 0 0 1 13.29 2403 52 + 2404 25 39.104000 -15.573000 -9.879000 53 G B 2 "GLY " " N " 7 0 0 1 13.65 2404 53 + 2405 3 40.013000 -16.626000 -10.331000 53 G B 2 "GLY " " CA " 6 0 0 1 14.21 2405 53 + 2406 2 39.428000 -18.014000 -10.136000 53 G B 2 "GLY " " C " 6 0 0 1 17.74 2406 53 + 2407 15 39.576000 -18.900000 -10.974000 53 G B 2 "GLY " " O " 8 0 0 1 18.78 2407 53 + 2408 43 39.491000 -14.918000 -9.215000 53 G B 2 "GLY " " H " 1 0 0 1 13.65 2408 53 + 2409 41 40.955000 -16.550000 -9.787000 53 G B 2 "GLY " " HA3" 1 0 0 1 14.21 2409 53 + 2410 41 40.246000 -16.476000 -11.385000 53 G B 2 "GLY " " HA2" 1 0 0 1 14.21 2410 53 + 2411 25 38.703000 -18.200000 -9.031000 54 D B 2 "ASP " " N " 7 0 0 1 19.47 2411 54 + 2412 3 38.024000 -19.451000 -8.736000 54 D B 2 "ASP " " CA " 6 0 0 1 17.54 2412 54 + 2413 2 36.701000 -19.694000 -9.443000 54 D B 2 "ASP " " C " 6 0 0 1 17.62 2413 54 + 2414 15 36.041000 -20.691000 -9.178000 54 D B 2 "ASP " " O " 8 0 0 1 20.7 2414 54 + 2415 3 37.788000 -19.563000 -7.232000 54 D B 2 "ASP " " CB " 6 0 0 1 20.35 2415 54 + 2416 2 36.897000 -18.497000 -6.588000 54 D B 2 "ASP " " CG " 6 0 0 1 20.04 2416 54 + 2417 15 36.139000 -17.809000 -7.263000 54 D B 2 "ASP " " OD1" 8 0 0 1 19.19 2417 54 + 2418 18 36.970000 -18.356000 -5.376000 54 D B 2 "ASP " " OD2" 8 -1 0 1 21.88 2418 54 + 2419 43 38.609000 -17.453000 -8.357000 54 D B 2 "ASP " " H " 1 0 0 1 19.47 2419 54 + 2420 41 38.697000 -20.260000 -9.020000 54 D B 2 "ASP " " HA " 1 0 0 1 17.54 2420 54 + 2421 41 38.749000 -19.584000 -6.719000 54 D B 2 "ASP " " HB3" 1 0 0 1 20.35 2421 54 + 2422 41 37.387000 -20.551000 -7.005000 54 D B 2 "ASP " " HB2" 1 0 0 1 20.35 2422 54 + 2423 25 36.222000 -18.800000 -10.311000 55 G B 2 "GLY " " N " 7 0 0 1 18.03 2423 55 + 2424 3 34.983000 -19.020000 -11.047000 55 G B 2 "GLY " " CA " 6 0 0 1 15.07 2424 55 + 2425 2 33.723000 -18.425000 -10.443000 55 G B 2 "GLY " " C " 6 0 0 1 15.35 2425 55 + 2426 15 32.674000 -18.403000 -11.089000 55 G B 2 "GLY " " O " 8 0 0 1 18 2426 55 + 2427 43 36.722000 -17.938000 -10.475000 55 G B 2 "GLY " " H " 1 0 0 1 18.03 2427 55 + 2428 41 34.839000 -20.090000 -11.196000 55 G B 2 "GLY " " HA3" 1 0 0 1 15.07 2428 55 + 2429 41 35.101000 -18.652000 -12.066000 55 G B 2 "GLY " " HA2" 1 0 0 1 15.07 2429 55 + 2430 25 33.754000 -17.942000 -9.202000 56 N B 2 "ASN " " N " 7 0 0 1 17.08 2430 56 + 2431 3 32.588000 -17.303000 -8.598000 56 N B 2 "ASN " " CA " 6 0 0 1 15.23 2431 56 + 2432 2 32.327000 -15.982000 -9.282000 56 N B 2 "ASN " " C " 6 0 0 1 15.88 2432 56 + 2433 15 33.278000 -15.332000 -9.747000 56 N B 2 "ASN " " O " 8 0 0 1 16.77 2433 56 + 2434 3 32.821000 -17.065000 -7.118000 56 N B 2 "ASN " " CB " 6 0 0 1 15.51 2434 56 + 2435 2 32.739000 -18.366000 -6.337000 56 N B 2 "ASN " " CG " 6 0 0 1 16.61 2435 56 + 2436 15 31.600000 -19.018000 -6.283000 56 N B 2 "ASN " " OD1" 8 0 0 1 18.31 2436 56 + 2437 25 33.714000 -18.805000 -5.759000 56 N B 2 "ASN " " ND2" 7 0 0 1 18.25 2437 56 + 2438 43 34.599000 -18.013000 -8.653000 56 N B 2 "ASN " " H " 1 0 0 1 17.08 2438 56 + 2439 41 31.720000 -17.950000 -8.724000 56 N B 2 "ASN " " HA " 1 0 0 1 15.23 2439 56 + 2440 41 32.073000 -16.367000 -6.741000 56 N B 2 "ASN " " HB3" 1 0 0 1 15.51 2440 56 + 2441 41 33.804000 -16.616000 -6.973000 56 N B 2 "ASN " " HB2" 1 0 0 1 15.51 2441 56 + 2442 43 33.648000 -19.671000 -5.243000 56 N B 2 "ASN " "HD22" 1 0 0 1 18.25 2442 56 + 2443 43 34.590000 -18.304000 -5.795000 56 N B 2 "ASN " "HD21" 1 0 0 1 18.25 2443 56 + 2444 25 31.066000 -15.595000 -9.388000 57 T B 2 "THR " " N " 7 0 2 1 16.5 2444 57 + 2445 3 30.685000 -14.350000 -10.029000 57 T B 2 "THR " " CA " 6 0 2 1 16.5 2445 57 + 2446 2 29.946000 -13.430000 -9.069000 57 T B 2 "THR " " C " 6 0 2 1 17.94 2446 57 + 2447 15 29.361000 -13.910000 -8.092000 57 T B 2 "THR " " O " 8 0 2 1 17.76 2447 57 + 2448 3 29.808000 -14.667000 -11.243000 57 T B 2 "THR " " CB " 6 0 2 1 16.18 2448 57 + 2449 16 28.720000 -15.498000 -10.801000 57 T B 2 "THR " " OG1" 8 0 2 1 16.66 2449 57 + 2450 3 30.650000 -15.305000 -12.354000 57 T B 2 "THR " " CG2" 6 0 2 1 16.43 2450 57 + 2451 43 30.327000 -16.174000 -9.015000 57 T B 2 "THR " " H " 1 0 2 1 16.5 2451 57 + 2452 41 31.587000 -13.844000 -10.373000 57 T B 2 "THR " " HA " 1 0 2 1 16.5 2452 57 + 2453 41 29.394000 -13.732000 -11.620000 57 T B 2 "THR " " HB " 1 0 2 1 16.18 2453 57 + 2454 42 28.209000 -15.030000 -10.136000 57 T B 2 "THR " " HG1" 1 0 2 1 16.66 2454 57 + 2455 41 30.014000 -15.525000 -13.211000 57 T B 2 "THR " "HG21" 1 0 2 1 16.43 2455 57 + 2456 41 31.438000 -14.615000 -12.655000 57 T B 2 "THR " "HG22" 1 0 2 1 16.43 2456 57 + 2457 41 31.097000 -16.229000 -11.987000 57 T B 2 "THR " "HG23" 1 0 2 1 16.43 2457 57 + 2458 25 30.011000 -12.118000 -9.266000 58 D B 2 "ASP " " N " 7 0 2 1 15.66 2458 58 + 2459 3 29.269000 -11.142000 -8.468000 58 D B 2 "ASP " " CA " 6 0 2 1 17 2459 58 + 2460 2 28.835000 -10.078000 -9.447000 58 D B 2 "ASP " " C " 6 0 2 1 16.72 2460 58 + 2461 15 29.572000 -9.779000 -10.403000 58 D B 2 "ASP " " O " 8 0 2 1 15.65 2461 58 + 2462 3 30.126000 -10.503000 -7.358000 58 D B 2 "ASP " " CB " 6 0 2 1 18.58 2462 58 + 2463 2 30.353000 -11.455000 -6.163000 58 D B 2 "ASP " " CG " 6 0 2 1 20.99 2463 58 + 2464 15 29.382000 -11.930000 -5.562000 58 D B 2 "ASP " " OD1" 8 0 2 1 22.9 2464 58 + 2465 18 31.509000 -11.740000 -5.843000 58 D B 2 "ASP " " OD2" 8 -1 2 1 19.45 2465 58 + 2466 43 30.597000 -11.746000 -10.000000 58 D B 2 "ASP " " H " 1 0 2 1 15.66 2466 58 + 2467 41 28.392000 -11.617000 -8.028000 58 D B 2 "ASP " " HA " 1 0 2 1 17 2467 58 + 2468 41 29.643000 -9.591000 -7.008000 58 D B 2 "ASP " " HB3" 1 0 2 1 18.58 2468 58 + 2469 41 31.089000 -10.204000 -7.771000 58 D B 2 "ASP " " HB2" 1 0 2 1 18.58 2469 58 + 2470 25 27.634000 -9.546000 -9.281000 59 Y B 2 "TYR " " N " 7 0 2 1 16.37 2470 59 + 2471 3 27.019000 -8.643000 -10.238000 59 Y B 2 "TYR " " CA " 6 0 2 1 15.78 2471 59 + 2472 2 26.469000 -7.376000 -9.604000 59 Y B 2 "TYR " " C " 6 0 2 1 17.82 2472 59 + 2473 15 26.162000 -7.315000 -8.406000 59 Y B 2 "TYR " " O " 8 0 2 1 19.4 2473 59 + 2474 3 25.869000 -9.335000 -10.937000 59 Y B 2 "TYR " " CB " 6 0 2 1 16.04 2474 59 + 2475 2 26.221000 -10.624000 -11.659000 59 Y B 2 "TYR " " CG " 6 0 2 1 17.79 2475 59 + 2476 2 26.767000 -10.527000 -12.921000 59 Y B 2 "TYR " " CD1" 6 0 2 1 18.25 2476 59 + 2477 2 26.012000 -11.862000 -11.073000 59 Y B 2 "TYR " " CD2" 6 0 2 1 17.95 2477 59 + 2478 2 27.124000 -11.676000 -13.606000 59 Y B 2 "TYR " " CE1" 6 0 2 1 18.63 2478 59 + 2479 2 26.370000 -13.011000 -11.755000 59 Y B 2 "TYR " " CE2" 6 0 2 1 19.34 2479 59 + 2480 2 26.915000 -12.902000 -13.023000 59 Y B 2 "TYR " " CZ " 6 0 2 1 17.61 2480 59 + 2481 16 27.250000 -14.022000 -13.752000 59 Y B 2 "TYR " " OH " 8 0 2 1 18.13 2481 59 + 2482 43 27.096000 -9.763000 -8.454000 59 Y B 2 "TYR " " H " 1 0 2 1 16.37 2482 59 + 2483 41 27.764000 -8.365000 -10.984000 59 Y B 2 "TYR " " HA " 1 0 2 1 15.78 2483 59 + 2484 41 25.407000 -8.643000 -11.641000 59 Y B 2 "TYR " " HB3" 1 0 2 1 16.04 2484 59 + 2485 41 25.075000 -9.531000 -10.216000 59 Y B 2 "TYR " " HB2" 1 0 2 1 16.04 2485 59 + 2486 41 26.915000 -9.557000 -13.372000 59 Y B 2 "TYR " " HD1" 1 0 2 1 18.25 2486 59 + 2487 41 25.572000 -11.926000 -10.089000 59 Y B 2 "TYR " " HD2" 1 0 2 1 17.95 2487 59 + 2488 41 27.563000 -11.604000 -14.590000 59 Y B 2 "TYR " " HE1" 1 0 2 1 18.63 2488 59 + 2489 41 26.223000 -13.978000 -11.298000 59 Y B 2 "TYR " " HE2" 1 0 2 1 19.34 2489 59 + 2490 42 27.057000 -14.809000 -13.237000 59 Y B 2 "TYR " " HH " 1 0 2 1 18.13 2490 59 + 2491 25 26.386000 -6.345000 -10.444000 60 N B 2 "ASN " " N " 7 0 0 1 18.17 2491 60 + 2492 3 25.740000 -5.077000 -10.137000 60 N B 2 "ASN " " CA " 6 0 0 1 19.51 2492 60 + 2493 2 24.302000 -5.426000 -9.721000 60 N B 2 "ASN " " C " 6 0 0 1 20.91 2493 60 + 2494 15 23.594000 -6.174000 -10.412000 60 N B 2 "ASN " " O " 8 0 0 1 19.8 2494 60 + 2495 3 25.756000 -4.194000 -11.399000 60 N B 2 "ASN " " CB " 6 0 0 1 21.25 2495 60 + 2496 2 24.935000 -2.898000 -11.368000 60 N B 2 "ASN " " CG " 6 0 0 1 21.74 2496 60 + 2497 15 23.746000 -2.863000 -11.034000 60 N B 2 "ASN " " OD1" 8 0 0 1 21.18 2497 60 + 2498 25 25.505000 -1.777000 -11.769000 60 N B 2 "ASN " " ND2" 7 0 0 1 19.24 2498 60 + 2499 43 26.789000 -6.413000 -11.368000 60 N B 2 "ASN " " H " 1 0 0 1 18.17 2499 60 + 2500 41 26.259000 -4.577000 -9.319000 60 N B 2 "ASN " " HA " 1 0 0 1 19.51 2500 60 + 2501 41 25.449000 -4.791000 -12.258000 60 N B 2 "ASN " " HB3" 1 0 0 1 21.25 2501 60 + 2502 41 26.788000 -3.957000 -11.657000 60 N B 2 "ASN " " HB2" 1 0 0 1 21.25 2502 60 + 2503 43 24.983000 -0.913000 -11.757000 60 N B 2 "ASN " "HD22" 1 0 0 1 19.24 2503 60 + 2504 43 26.463000 -1.784000 -12.088000 60 N B 2 "ASN " "HD21" 1 0 0 1 19.24 2504 60 + 2505 25 23.828000 -4.874000 -8.614000 61 S B 2 "SER " " N " 7 0 0 1 22.27 2505 61 + 2506 3 22.518000 -5.195000 -8.059000 61 S B 2 "SER " " CA " 6 0 0 1 27.5 2506 61 + 2507 2 21.353000 -4.999000 -9.022000 61 S B 2 "SER " " C " 6 0 0 1 27.86 2507 61 + 2508 15 20.505000 -5.879000 -9.191000 61 S B 2 "SER " " O " 8 0 0 1 29.33 2508 61 + 2509 3 22.305000 -4.336000 -6.814000 61 S B 2 "SER " " CB " 6 0 0 1 27.87 2509 61 + 2510 16 23.325000 -4.641000 -5.874000 61 S B 2 "SER " " OG " 8 0 0 1 35.2 2510 61 + 2511 43 24.381000 -4.195000 -8.111000 61 S B 2 "SER " " H " 1 0 0 1 22.27 2511 61 + 2512 41 22.529000 -6.240000 -7.750000 61 S B 2 "SER " " HA " 1 0 0 1 27.5 2512 61 + 2513 41 21.331000 -4.562000 -6.379000 61 S B 2 "SER " " HB3" 1 0 0 1 27.87 2513 61 + 2514 41 22.365000 -3.282000 -7.086000 61 S B 2 "SER " " HB2" 1 0 0 1 27.87 2514 61 + 2515 42 23.344000 -3.966000 -5.191000 61 S B 2 "SER " " HG " 1 0 0 1 35.2 2515 61 + 2516 25 21.360000 -3.877000 -9.736000 62 A B 2 "ALA " " N " 7 0 0 1 27.45 2516 62 + 2517 3 20.248000 -3.559000 -10.609000 62 A B 2 "ALA " " CA " 6 0 0 1 30.58 2517 62 + 2518 2 20.237000 -4.383000 -11.888000 62 A B 2 "ALA " " C " 6 0 0 1 32.15 2518 62 + 2519 15 19.180000 -4.647000 -12.457000 62 A B 2 "ALA " " O " 8 0 0 1 36.06 2519 62 + 2520 3 20.297000 -2.075000 -10.981000 62 A B 2 "ALA " " CB " 6 0 0 1 27.44 2520 62 + 2521 43 22.143000 -3.242000 -9.671000 62 A B 2 "ALA " " H " 1 0 0 1 27.45 2521 62 + 2522 41 19.320000 -3.749000 -10.069000 62 A B 2 "ALA " " HA " 1 0 0 1 30.58 2522 62 + 2523 41 19.460000 -1.837000 -11.638000 62 A B 2 "ALA " " HB1" 1 0 0 1 27.44 2523 62 + 2524 41 20.232000 -1.471000 -10.076000 62 A B 2 "ALA " " HB2" 1 0 0 1 27.44 2524 62 + 2525 41 21.234000 -1.859000 -11.494000 62 A B 2 "ALA " " HB3" 1 0 0 1 27.44 2525 62 + 2526 25 21.400000 -4.840000 -12.343000 63 L B 2 "LEU " " N " 7 0 0 1 32.37 2526 63 + 2527 3 21.514000 -5.491000 -13.630000 63 L B 2 "LEU " " CA " 6 0 0 1 32.15 2527 63 + 2528 2 21.683000 -6.984000 -13.550000 63 L B 2 "LEU " " C " 6 0 0 1 32.41 2528 63 + 2529 15 21.663000 -7.668000 -14.570000 63 L B 2 "LEU " " O " 8 0 0 1 31.58 2529 63 + 2530 3 22.690000 -4.862000 -14.384000 63 L B 2 "LEU " " CB " 6 0 0 1 32.12 2530 63 + 2531 3 22.520000 -3.534000 -15.154000 63 L B 2 "LEU " " CG " 6 0 0 1 33.5 2531 63 + 2532 3 21.761000 -2.478000 -14.368000 63 L B 2 "LEU " " CD1" 6 0 0 1 35.07 2532 63 + 2533 3 23.898000 -2.981000 -15.438000 63 L B 2 "LEU " " CD2" 6 0 0 1 31.82 2533 63 + 2534 43 22.236000 -4.737000 -11.786000 63 L B 2 "LEU " " H " 1 0 0 1 32.37 2534 63 + 2535 41 20.604000 -5.285000 -14.193000 63 L B 2 "LEU " " HA " 1 0 0 1 32.15 2535 63 + 2536 41 23.116000 -5.607000 -15.056000 63 L B 2 "LEU " " HB3" 1 0 0 1 32.12 2536 63 + 2537 41 23.536000 -4.768000 -13.703000 63 L B 2 "LEU " " HB2" 1 0 0 1 32.12 2537 63 + 2538 41 22.005000 -3.725000 -16.096000 63 L B 2 "LEU " " HG " 1 0 0 1 33.5 2538 63 + 2539 41 21.677000 -1.570000 -14.966000 63 L B 2 "LEU " "HD11" 1 0 0 1 35.07 2539 63 + 2540 41 20.764000 -2.849000 -14.129000 63 L B 2 "LEU " "HD12" 1 0 0 1 35.07 2540 63 + 2541 41 22.297000 -2.256000 -13.445000 63 L B 2 "LEU " "HD13" 1 0 0 1 35.07 2541 63 + 2542 41 23.808000 -2.041000 -15.982000 63 L B 2 "LEU " "HD21" 1 0 0 1 31.82 2542 63 + 2543 41 24.421000 -2.807000 -14.498000 63 L B 2 "LEU " "HD22" 1 0 0 1 31.82 2543 63 + 2544 41 24.460000 -3.696000 -16.039000 63 L B 2 "LEU " "HD23" 1 0 0 1 31.82 2544 63 + 2545 25 21.790000 -7.526000 -12.341000 64 K B 2 "LYS " " N " 7 0 0 1 33.44 2545 64 + 2546 3 22.046000 -8.934000 -12.126000 64 K B 2 "LYS " " CA " 6 0 0 1 34.04 2546 64 + 2547 2 21.161000 -9.903000 -12.900000 64 K B 2 "LYS " " C " 6 0 0 1 35.57 2547 64 + 2548 15 21.647000 -10.911000 -13.408000 64 K B 2 "LYS " " O " 8 0 0 1 36.48 2548 64 + 2549 3 21.906000 -9.197000 -10.672000 64 K B 2 "LYS " " CB " 6 0 0 1 36.29 2549 64 + 2550 3 22.441000 -10.538000 -10.209000 64 K B 2 "LYS " " CG " 6 0 0 1 41.2 2550 64 + 2551 3 21.976000 -10.830000 -8.793000 64 K B 2 "LYS " " CD " 6 0 0 1 47.9 2551 64 + 2552 3 22.141000 -9.632000 -7.827000 64 K B 2 "LYS " " CE " 6 0 0 1 52.88 2552 64 + 2553 32 20.900000 -8.882000 -7.654000 64 K B 2 "LYS " " NZ " 7 1 0 1 54.54 2553 64 + 2554 43 21.692000 -6.949000 -11.518000 64 K B 2 "LYS " " H " 1 0 0 1 33.44 2554 64 + 2555 41 23.081000 -9.132000 -12.404000 64 K B 2 "LYS " " HA " 1 0 0 1 34.04 2555 64 + 2556 41 20.857000 -9.110000 -10.389000 64 K B 2 "LYS " " HB3" 1 0 0 1 36.29 2556 64 + 2557 41 22.397000 -8.400000 -10.113000 64 K B 2 "LYS " " HB2" 1 0 0 1 36.29 2557 64 + 2558 41 23.531000 -10.524000 -10.238000 64 K B 2 "LYS " " HG3" 1 0 0 1 41.2 2558 64 + 2559 41 22.084000 -11.322000 -10.877000 64 K B 2 "LYS " " HG2" 1 0 0 1 41.2 2559 64 + 2560 41 22.523000 -11.688000 -8.402000 64 K B 2 "LYS " " HD3" 1 0 0 1 47.9 2560 64 + 2561 41 20.931000 -11.138000 -8.812000 64 K B 2 "LYS " " HD2" 1 0 0 1 47.9 2561 64 + 2562 41 22.917000 -8.966000 -8.205000 64 K B 2 "LYS " " HE3" 1 0 0 1 52.88 2562 64 + 2563 41 22.484000 -9.993000 -6.858000 64 K B 2 "LYS " " HE2" 1 0 0 1 52.88 2563 64 + 2564 44 20.685000 -8.385000 -8.507000 64 K B 2 "LYS " " HZ1" 1 0 0 1 54.54 2564 64 + 2565 44 20.148000 -9.520000 -7.437000 64 K B 2 "LYS " " HZ2" 1 0 0 1 54.54 2565 64 + 2566 44 21.008000 -8.221000 -6.898000 64 K B 2 "LYS " " HZ3" 1 0 0 1 54.54 2566 64 + 2567 25 19.876000 -9.605000 -13.071000 65 S B 2 "SER " " N " 7 0 0 1 35.69 2567 65 + 2568 3 18.924000 -10.478000 -13.756000 65 S B 2 "SER " " CA " 6 0 0 1 36.1 2568 65 + 2569 2 19.105000 -10.609000 -15.271000 65 S B 2 "SER " " C " 6 0 0 1 33.86 2569 65 + 2570 15 18.491000 -11.468000 -15.905000 65 S B 2 "SER " " O " 8 0 0 1 34.56 2570 65 + 2571 3 17.514000 -9.959000 -13.471000 65 S B 2 "SER " " CB " 6 0 0 1 37.71 2571 65 + 2572 16 17.472000 -8.551000 -13.704000 65 S B 2 "SER " " OG " 8 0 0 1 42.62 2572 65 + 2573 43 19.509000 -8.733000 -12.718000 65 S B 2 "SER " " H " 1 0 0 1 35.69 2573 65 + 2574 41 19.009000 -11.474000 -13.321000 65 S B 2 "SER " " HA " 1 0 0 1 36.1 2574 65 + 2575 41 17.255000 -10.163000 -12.432000 65 S B 2 "SER " " HB3" 1 0 0 1 37.71 2575 65 + 2576 41 16.803000 -10.457000 -14.130000 65 S B 2 "SER " " HB2" 1 0 0 1 37.71 2576 65 + 2577 42 16.592000 -8.301000 -13.996000 65 S B 2 "SER " " HG " 1 0 0 1 42.62 2577 65 + 2578 25 19.871000 -9.683000 -15.856000 66 R B 2 "ARG " " N " 7 0 0 1 30.17 2578 66 + 2579 3 20.116000 -9.598000 -17.282000 66 R B 2 "ARG " " CA " 6 0 0 1 26.83 2579 66 + 2580 2 21.521000 -10.011000 -17.669000 66 R B 2 "ARG " " C " 6 0 0 1 24.82 2580 66 + 2581 15 21.809000 -10.105000 -18.862000 66 R B 2 "ARG " " O " 8 0 0 1 22.98 2581 66 + 2582 3 19.921000 -8.172000 -17.778000 66 R B 2 "ARG " " CB " 6 0 0 1 28.17 2582 66 + 2583 3 18.554000 -7.597000 -17.506000 66 R B 2 "ARG " " CG " 6 0 0 1 31.21 2583 66 + 2584 3 18.271000 -6.445000 -18.431000 66 R B 2 "ARG " " CD " 6 0 0 1 30.76 2584 66 + 2585 25 19.004000 -5.242000 -18.103000 66 R B 2 "ARG " " NE " 7 0 0 1 35.07 2585 66 + 2586 2 19.714000 -4.571000 -19.015000 66 R B 2 "ARG " " CZ " 6 0 0 1 36.11 2586 66 + 2587 25 19.923000 -5.050000 -20.249000 66 R B 2 "ARG " " NH1" 7 0 0 1 36.84 2587 66 + 2588 31 20.251000 -3.411000 -18.650000 66 R B 2 "ARG " " NH2" 7 1 0 1 35.59 2588 66 + 2589 43 20.327000 -8.977000 -15.296000 66 R B 2 "ARG " " H " 1 0 0 1 30.17 2589 66 + 2590 41 19.407000 -10.247000 -17.797000 66 R B 2 "ARG " " HA " 1 0 0 1 26.83 2590 66 + 2591 41 20.123000 -8.131000 -18.848000 66 R B 2 "ARG " " HB3" 1 0 0 1 28.17 2591 66 + 2592 41 20.679000 -7.528000 -17.332000 66 R B 2 "ARG " " HB2" 1 0 0 1 28.17 2592 66 + 2593 41 18.504000 -7.254000 -16.473000 66 R B 2 "ARG " " HG3" 1 0 0 1 31.21 2593 66 + 2594 41 17.800000 -8.371000 -17.649000 66 R B 2 "ARG " " HG2" 1 0 0 1 31.21 2594 66 + 2595 41 17.202000 -6.230000 -18.425000 66 R B 2 "ARG " " HD3" 1 0 0 1 30.76 2595 66 + 2596 41 18.499000 -6.739000 -19.455000 66 R B 2 "ARG " " HD2" 1 0 0 1 30.76 2596 66 + 2597 43 18.967000 -4.912000 -17.149000 66 R B 2 "ARG " " HE " 1 0 0 1 35.07 2597 66 + 2598 43 20.465000 -4.516000 -20.913000 66 R B 2 "ARG " "HH12" 1 0 0 1 36.84 2598 66 + 2599 43 19.539000 -5.945000 -20.515000 66 R B 2 "ARG " "HH11" 1 0 0 1 36.84 2599 66 + 2600 44 20.794000 -2.875000 -19.312000 66 R B 2 "ARG " "HH22" 1 0 0 1 35.59 2600 66 + 2601 44 20.116000 -3.065000 -17.711000 66 R B 2 "ARG " "HH21" 1 0 0 1 35.59 2601 66 + 2602 25 22.398000 -10.214000 -16.680000 67 L B 2 "LEU " " N " 7 0 2 1 24.01 2602 67 + 2603 3 23.810000 -10.466000 -16.902000 67 L B 2 "LEU " " CA " 6 0 2 1 25.02 2603 67 + 2604 2 24.276000 -11.840000 -16.508000 67 L B 2 "LEU " " C " 6 0 2 1 23.64 2604 67 + 2605 15 23.803000 -12.444000 -15.551000 67 L B 2 "LEU " " O " 8 0 2 1 25.88 2605 67 + 2606 3 24.692000 -9.504000 -16.125000 67 L B 2 "LEU " " CB " 6 0 2 1 27.18 2606 67 + 2607 3 24.682000 -8.026000 -16.418000 67 L B 2 "LEU " " CG " 6 0 2 1 30.39 2607 67 + 2608 3 25.625000 -7.366000 -15.443000 67 L B 2 "LEU " " CD1" 6 0 2 1 31.69 2608 67 + 2609 3 25.143000 -7.732000 -17.829000 67 L B 2 "LEU " " CD2" 6 0 2 1 32.08 2609 67 + 2610 43 22.088000 -10.196000 -15.719000 67 L B 2 "LEU " " H " 1 0 2 1 24.01 2610 67 + 2611 41 24.015000 -10.331000 -17.964000 67 L B 2 "LEU " " HA " 1 0 2 1 25.02 2611 67 + 2612 41 25.721000 -9.863000 -16.161000 67 L B 2 "LEU " " HB3" 1 0 2 1 27.18 2612 67 + 2613 41 24.520000 -9.652000 -15.059000 67 L B 2 "LEU " " HB2" 1 0 2 1 27.18 2613 67 + 2614 41 23.676000 -7.633000 -16.274000 67 L B 2 "LEU " " HG " 1 0 2 1 30.39 2614 67 + 2615 41 25.644000 -6.292000 -15.626000 67 L B 2 "LEU " "HD11" 1 0 2 1 31.69 2615 67 + 2616 41 25.286000 -7.555000 -14.424000 67 L B 2 "LEU " "HD12" 1 0 2 1 31.69 2616 67 + 2617 41 26.627000 -7.774000 -15.574000 67 L B 2 "LEU " "HD13" 1 0 2 1 31.69 2617 67 + 2618 41 25.122000 -6.656000 -18.002000 67 L B 2 "LEU " "HD21" 1 0 2 1 32.08 2618 67 + 2619 41 26.160000 -8.101000 -17.964000 67 L B 2 "LEU " "HD22" 1 0 2 1 32.08 2619 67 + 2620 41 24.480000 -8.227000 -18.539000 67 L B 2 "LEU " "HD23" 1 0 2 1 32.08 2620 67 + 2621 25 25.290000 -12.310000 -17.204000 68 S B 2 "SER " " N " 7 0 2 1 23.41 2621 68 + 2622 3 25.881000 -13.598000 -16.967000 68 S B 2 "SER " " CA " 6 0 2 1 22.88 2622 68 + 2623 2 27.327000 -13.451000 -17.410000 68 S B 2 "SER " " C " 6 0 2 1 21.62 2623 68 + 2624 15 27.580000 -12.983000 -18.530000 68 S B 2 "SER " " O " 8 0 2 1 21.86 2624 68 + 2625 3 25.137000 -14.617000 -17.807000 68 S B 2 "SER " " CB " 6 0 2 1 23.5 2625 68 + 2626 16 25.835000 -15.845000 -17.750000 68 S B 2 "SER " " OG " 8 0 2 1 30.31 2626 68 + 2627 43 25.691000 -11.757000 -17.948000 68 S B 2 "SER " " H " 1 0 2 1 23.41 2627 68 + 2628 41 25.827000 -13.858000 -15.910000 68 S B 2 "SER " " HA " 1 0 2 1 22.88 2628 68 + 2629 41 25.092000 -14.273000 -18.840000 68 S B 2 "SER " " HB3" 1 0 2 1 23.5 2629 68 + 2630 41 24.132000 -14.752000 -17.408000 68 S B 2 "SER " " HB2" 1 0 2 1 23.5 2630 68 + 2631 42 25.367000 -16.453000 -17.174000 68 S B 2 "SER " " HG " 1 0 2 1 30.31 2631 68 + 2632 25 28.281000 -13.722000 -16.526000 69 I B 2 "ILE " " N " 7 0 2 1 18.19 2632 69 + 2633 3 29.696000 -13.703000 -16.881000 69 I B 2 "ILE " " CA " 6 0 2 1 15.41 2633 69 + 2634 2 30.229000 -15.133000 -16.737000 69 I B 2 "ILE " " C " 6 0 2 1 15.66 2634 69 + 2635 15 29.875000 -15.843000 -15.780000 69 I B 2 "ILE " " O " 8 0 2 1 18.79 2635 69 + 2636 3 30.440000 -12.704000 -15.934000 69 I B 2 "ILE " " CB " 6 0 2 1 14.31 2636 69 + 2637 3 29.984000 -11.275000 -16.224000 69 I B 2 "ILE " " CG1" 6 0 2 1 13.5 2637 69 + 2638 3 31.950000 -12.837000 -16.106000 69 I B 2 "ILE " " CG2" 6 0 2 1 13.86 2638 69 + 2639 3 30.446000 -10.239000 -15.190000 69 I B 2 "ILE " " CD1" 6 0 2 1 14.9 2639 69 + 2640 43 28.036000 -13.951000 -15.573000 69 I B 2 "ILE " " H " 1 0 2 1 18.19 2640 69 + 2641 41 29.807000 -13.376000 -17.915000 69 I B 2 "ILE " " HA " 1 0 2 1 15.41 2641 69 + 2642 41 30.185000 -12.948000 -14.903000 69 I B 2 "ILE " " HB " 1 0 2 1 14.31 2642 69 + 2643 41 28.897000 -11.251000 -16.298000 69 I B 2 "ILE " "HG13" 1 0 2 1 13.5 2643 69 + 2644 41 30.333000 -10.978000 -17.213000 69 I B 2 "ILE " "HG12" 1 0 2 1 13.5 2644 69 + 2645 41 32.455000 -12.136000 -15.441000 69 I B 2 "ILE " "HG21" 1 0 2 1 13.86 2645 69 + 2646 41 32.256000 -13.854000 -15.861000 69 I B 2 "ILE " "HG22" 1 0 2 1 13.86 2646 69 + 2647 41 32.219000 -12.616000 -17.139000 69 I B 2 "ILE " "HG23" 1 0 2 1 13.86 2647 69 + 2648 41 30.078000 -9.253000 -15.474000 69 I B 2 "ILE " "HD11" 1 0 2 1 14.9 2648 69 + 2649 41 30.053000 -10.504000 -14.208000 69 I B 2 "ILE " "HD12" 1 0 2 1 14.9 2649 69 + 2650 41 31.535000 -10.223000 -15.153000 69 I B 2 "ILE " "HD13" 1 0 2 1 14.9 2650 69 + 2651 25 31.055000 -15.618000 -17.663000 70 S B 2 "SER " " N " 7 0 2 1 16.77 2651 70 + 2652 3 31.699000 -16.914000 -17.555000 70 S B 2 "SER " " CA " 6 0 2 1 17.38 2652 70 + 2653 2 33.086000 -16.853000 -18.192000 70 S B 2 "SER " " C " 6 0 2 1 20.52 2653 70 + 2654 15 33.484000 -15.816000 -18.751000 70 S B 2 "SER " " O " 8 0 2 1 17.76 2654 70 + 2655 3 30.843000 -17.950000 -18.242000 70 S B 2 "SER " " CB " 6 0 2 1 19.72 2655 70 + 2656 16 30.637000 -17.617000 -19.601000 70 S B 2 "SER " " OG " 8 0 2 1 20.69 2656 70 + 2657 43 31.260000 -15.077000 -18.491000 70 S B 2 "SER " " H " 1 0 2 1 16.77 2657 70 + 2658 41 31.801000 -17.176000 -16.502000 70 S B 2 "SER " " HA " 1 0 2 1 17.38 2658 70 + 2659 41 29.880000 -18.019000 -17.735000 70 S B 2 "SER " " HB3" 1 0 2 1 19.72 2659 70 + 2660 41 31.329000 -18.924000 -18.177000 70 S B 2 "SER " " HB2" 1 0 2 1 19.72 2660 70 + 2661 42 31.465000 -17.323000 -19.988000 70 S B 2 "SER " " HG " 1 0 2 1 20.69 2661 70 + 2662 25 33.896000 -17.897000 -18.063000 71 K B 2 "LYS " " N " 7 0 2 1 18.56 2662 71 + 2663 3 35.221000 -17.884000 -18.648000 71 K B 2 "LYS " " CA " 6 0 2 1 20.78 2663 71 + 2664 2 35.629000 -19.283000 -19.068000 71 K B 2 "LYS " " C " 6 0 2 1 21.44 2664 71 + 2665 15 35.123000 -20.303000 -18.565000 71 K B 2 "LYS " " O " 8 0 2 1 18.52 2665 71 + 2666 3 36.279000 -17.347000 -17.660000 71 K B 2 "LYS " " CB " 6 0 2 1 18.05 2666 71 + 2667 3 36.534000 -18.161000 -16.404000 71 K B 2 "LYS " " CG " 6 0 2 1 17.99 2667 71 + 2668 3 37.606000 -17.485000 -15.594000 71 K B 2 "LYS " " CD " 6 0 2 1 17.17 2668 71 + 2669 3 37.730000 -18.251000 -14.284000 71 K B 2 "LYS " " CE " 6 0 2 1 17.68 2669 71 + 2670 32 39.058000 -18.066000 -13.724000 71 K B 2 "LYS " " NZ " 7 1 2 1 17.1 2670 71 + 2671 43 33.591000 -18.713000 -17.552000 71 K B 2 "LYS " " H " 1 0 2 1 18.56 2671 71 + 2672 41 35.208000 -17.243000 -19.530000 71 K B 2 "LYS " " HA " 1 0 2 1 20.78 2672 71 + 2673 41 36.021000 -16.326000 -17.379000 71 K B 2 "LYS " " HB3" 1 0 2 1 18.05 2673 71 + 2674 41 37.221000 -17.200000 -18.189000 71 K B 2 "LYS " " HB2" 1 0 2 1 18.05 2674 71 + 2675 41 36.865000 -19.162000 -16.681000 71 K B 2 "LYS " " HG3" 1 0 2 1 17.99 2675 71 + 2676 41 35.618000 -18.219000 -15.817000 71 K B 2 "LYS " " HG2" 1 0 2 1 17.99 2676 71 + 2677 41 37.309000 -16.457000 -15.386000 71 K B 2 "LYS " " HD3" 1 0 2 1 17.17 2677 71 + 2678 41 38.552000 -17.533000 -16.133000 71 K B 2 "LYS " " HD2" 1 0 2 1 17.17 2678 71 + 2679 41 37.557000 -19.312000 -14.466000 71 K B 2 "LYS " " HE3" 1 0 2 1 17.68 2679 71 + 2680 41 36.984000 -17.886000 -13.578000 71 K B 2 "LYS " " HE2" 1 0 2 1 17.68 2680 71 + 2681 44 39.072000 -18.403000 -12.772000 71 K B 2 "LYS " " HZ1" 1 0 2 1 17.1 2681 71 + 2682 44 39.730000 -18.582000 -14.273000 71 K B 2 "LYS " " HZ2" 1 0 2 1 17.1 2682 71 + 2683 44 39.296000 -17.084000 -13.737000 71 K B 2 "LYS " " HZ3" 1 0 2 1 17.1 2683 71 + 2684 25 36.553000 -19.306000 -20.012000 72 D B 2 "ASP " " N " 7 0 2 1 21.22 2684 72 + 2685 3 37.164000 -20.542000 -20.440000 72 D B 2 "ASP " " CA " 6 0 2 1 22.92 2685 72 + 2686 2 38.635000 -20.348000 -20.151000 72 D B 2 "ASP " " C " 6 0 2 1 21.67 2686 72 + 2687 15 39.318000 -19.643000 -20.905000 72 D B 2 "ASP " " O " 8 0 2 1 22.42 2687 72 + 2688 3 36.930000 -20.755000 -21.931000 72 D B 2 "ASP " " CB " 6 0 2 1 27.53 2688 72 + 2689 2 37.376000 -22.140000 -22.422000 72 D B 2 "ASP " " CG " 6 0 2 1 30.31 2689 72 + 2690 15 38.402000 -22.654000 -21.974000 72 D B 2 "ASP " " OD1" 8 0 2 1 28.74 2690 72 + 2691 18 36.692000 -22.703000 -23.277000 72 D B 2 "ASP " " OD2" 8 -1 2 1 34.02 2691 72 + 2692 43 36.847000 -18.446000 -20.452000 72 D B 2 "ASP " " H " 1 0 2 1 21.22 2692 72 + 2693 41 36.770000 -21.382000 -19.868000 72 D B 2 "ASP " " HA " 1 0 2 1 22.92 2693 72 + 2694 41 37.457000 -19.984000 -22.494000 72 D B 2 "ASP " " HB3" 1 0 2 1 27.53 2694 72 + 2695 41 35.873000 -20.615000 -22.155000 72 D B 2 "ASP " " HB2" 1 0 2 1 27.53 2695 72 + 2696 25 39.153000 -20.988000 -19.104000 73 N B 2 "ASN " " N " 7 0 0 1 21.77 2696 73 + 2697 3 40.535000 -20.800000 -18.696000 73 N B 2 "ASN " " CA " 6 0 0 1 27.21 2697 73 + 2698 2 41.545000 -21.255000 -19.729000 73 N B 2 "ASN " " C " 6 0 0 1 30.26 2698 73 + 2699 15 42.562000 -20.581000 -19.886000 73 N B 2 "ASN " " O " 8 0 0 1 28.68 2699 73 + 2700 3 40.847000 -21.539000 -17.393000 73 N B 2 "ASN " " CB " 6 0 0 1 28.63 2700 73 + 2701 2 40.248000 -20.942000 -16.106000 73 N B 2 "ASN " " CG " 6 0 0 1 32.19 2701 73 + 2702 15 40.248000 -19.743000 -15.810000 73 N B 2 "ASN " " OD1" 8 0 0 1 31.55 2702 73 + 2703 25 39.714000 -21.790000 -15.246000 73 N B 2 "ASN " " ND2" 7 0 0 1 30.69 2703 73 + 2704 43 38.581000 -21.625000 -18.568000 73 N B 2 "ASN " " H " 1 0 0 1 21.77 2704 73 + 2705 41 40.691000 -19.735000 -18.522000 73 N B 2 "ASN " " HA " 1 0 0 1 27.21 2705 73 + 2706 41 41.928000 -21.626000 -17.279000 73 N B 2 "ASN " " HB3" 1 0 0 1 28.63 2706 73 + 2707 41 40.534000 -22.579000 -17.486000 73 N B 2 "ASN " " HB2" 1 0 0 1 28.63 2707 73 + 2708 43 39.308000 -21.449000 -14.386000 73 N B 2 "ASN " "HD22" 1 0 0 1 30.69 2708 73 + 2709 43 39.712000 -22.780000 -15.448000 73 N B 2 "ASN " "HD21" 1 0 0 1 30.69 2709 73 + 2710 25 41.309000 -22.321000 -20.502000 74 S B 2 "SER " " N " 7 0 0 1 33.82 2710 74 + 2711 3 42.260000 -22.778000 -21.505000 74 S B 2 "SER " " CA " 6 0 0 1 36.73 2711 74 + 2712 2 42.296000 -21.868000 -22.721000 74 S B 2 "SER " " C " 6 0 0 1 36.29 2712 74 + 2713 15 43.356000 -21.634000 -23.301000 74 S B 2 "SER " " O " 8 0 0 1 38.95 2713 74 + 2714 3 41.890000 -24.181000 -21.937000 74 S B 2 "SER " " CB " 6 0 0 1 39.01 2714 74 + 2715 16 40.499000 -24.185000 -22.223000 74 S B 2 "SER " " OG " 8 0 0 1 41.62 2715 74 + 2716 43 40.447000 -22.838000 -20.400000 74 S B 2 "SER " " H " 1 0 0 1 33.82 2716 74 + 2717 41 43.254000 -22.802000 -21.058000 74 S B 2 "SER " " HA " 1 0 0 1 36.73 2717 74 + 2718 41 42.095000 -24.877000 -21.124000 74 S B 2 "SER " " HB3" 1 0 0 1 39.01 2718 74 + 2719 41 42.446000 -24.442000 -22.837000 74 S B 2 "SER " " HB2" 1 0 0 1 39.01 2719 74 + 2720 42 40.232000 -25.064000 -22.501000 74 S B 2 "SER " " HG " 1 0 0 1 41.62 2720 74 + 2721 25 41.154000 -21.318000 -23.130000 75 K B 2 "LYS " " N " 7 0 0 1 34.87 2721 75 + 2722 3 41.133000 -20.371000 -24.239000 75 K B 2 "LYS " " CA " 6 0 0 1 32.25 2722 75 + 2723 2 41.598000 -18.967000 -23.853000 75 K B 2 "LYS " " C " 6 0 0 1 28.7 2723 75 + 2724 15 41.785000 -18.147000 -24.755000 75 K B 2 "LYS " " O " 8 0 0 1 29.16 2724 75 + 2725 3 39.727000 -20.252000 -24.830000 75 K B 2 "LYS " " CB " 6 0 0 1 33.91 2725 75 + 2726 3 39.196000 -21.590000 -25.338000 75 K B 2 "LYS " " CG " 6 0 0 1 41.52 2726 75 + 2727 3 37.987000 -21.548000 -26.296000 75 K B 2 "LYS " " CD " 6 0 0 1 46.28 2727 75 + 2728 3 36.783000 -20.729000 -25.797000 75 K B 2 "LYS " " CE " 6 0 0 1 50.61 2728 75 + 2729 32 35.515000 -21.370000 -26.112000 75 K B 2 "LYS " " NZ " 7 1 0 1 52.05 2729 75 + 2730 43 40.286000 -21.555000 -22.671000 75 K B 2 "LYS " " H " 1 0 0 1 34.87 2730 75 + 2731 41 41.797000 -20.746000 -25.018000 75 K B 2 "LYS " " HA " 1 0 0 1 32.25 2731 75 + 2732 41 39.738000 -19.532000 -25.648000 75 K B 2 "LYS " " HB3" 1 0 0 1 33.91 2732 75 + 2733 41 39.049000 -19.856000 -24.074000 75 K B 2 "LYS " " HB2" 1 0 0 1 33.91 2733 75 + 2734 41 38.957000 -22.227000 -24.487000 75 K B 2 "LYS " " HG3" 1 0 0 1 41.52 2734 75 + 2735 41 40.009000 -22.142000 -25.811000 75 K B 2 "LYS " " HG2" 1 0 0 1 41.52 2735 75 + 2736 41 37.665000 -22.566000 -26.514000 75 K B 2 "LYS " " HD3" 1 0 0 1 46.28 2736 75 + 2737 41 38.308000 -21.164000 -27.264000 75 K B 2 "LYS " " HD2" 1 0 0 1 46.28 2737 75 + 2738 41 36.809000 -19.736000 -26.246000 75 K B 2 "LYS " " HE3" 1 0 0 1 50.61 2738 75 + 2739 41 36.861000 -20.590000 -24.719000 75 K B 2 "LYS " " HE2" 1 0 0 1 50.61 2739 75 + 2740 44 35.479000 -22.279000 -25.674000 75 K B 2 "LYS " " HZ1" 1 0 0 1 52.05 2740 75 + 2741 44 34.755000 -20.801000 -25.768000 75 K B 2 "LYS " " HZ2" 1 0 0 1 52.05 2741 75 + 2742 44 35.430000 -21.475000 -27.113000 75 K B 2 "LYS " " HZ3" 1 0 0 1 52.05 2742 75 + 2743 25 41.771000 -18.683000 -22.546000 76 S B 2 "SER " " N " 7 0 0 1 25.69 2743 76 + 2744 3 42.103000 -17.387000 -21.977000 76 S B 2 "SER " " CA " 6 0 0 1 23.15 2744 76 + 2745 2 41.089000 -16.305000 -22.314000 76 S B 2 "SER " " C " 6 0 0 1 21.94 2745 76 + 2746 15 41.408000 -15.149000 -22.630000 76 S B 2 "SER " " O " 8 0 0 1 21.7 2746 76 + 2747 3 43.496000 -16.954000 -22.421000 76 S B 2 "SER " " CB " 6 0 0 1 22.43 2747 76 + 2748 16 44.406000 -17.774000 -21.703000 76 S B 2 "SER " " OG " 8 0 0 1 28.15 2748 76 + 2749 43 41.670000 -19.411000 -21.853000 76 S B 2 "SER " " H " 1 0 0 1 25.69 2749 76 + 2750 41 42.121000 -17.497000 -20.893000 76 S B 2 "SER " " HA " 1 0 0 1 23.15 2750 76 + 2751 41 43.655000 -15.911000 -22.147000 76 S B 2 "SER " " HB3" 1 0 0 1 22.43 2751 76 + 2752 41 43.609000 -17.138000 -23.489000 76 S B 2 "SER " " HB2" 1 0 0 1 22.43 2752 76 + 2753 42 44.244000 -18.696000 -21.917000 76 S B 2 "SER " " HG " 1 0 0 1 28.15 2753 76 + 2754 25 39.811000 -16.707000 -22.237000 77 Q B 2 "GLN " " N " 7 0 2 1 19.44 2754 77 + 2755 3 38.722000 -15.807000 -22.580000 77 Q B 2 "GLN " " CA " 6 0 2 1 20.8 2755 77 + 2756 2 37.676000 -15.704000 -21.488000 77 Q B 2 "GLN " " C " 6 0 2 1 19.61 2756 77 + 2757 15 37.405000 -16.711000 -20.825000 77 Q B 2 "GLN " " O " 8 0 2 1 19.67 2757 77 + 2758 3 38.007000 -16.253000 -23.829000 77 Q B 2 "GLN " " CB " 6 0 2 1 20.67 2758 77 + 2759 3 38.970000 -16.138000 -24.968000 77 Q B 2 "GLN " " CG " 6 0 2 1 24.88 2759 77 + 2760 2 38.442000 -16.596000 -26.299000 77 Q B 2 "GLN " " CD " 6 0 2 1 27.21 2760 77 + 2761 15 37.645000 -17.657000 -26.368000 77 Q B 2 "GLN " " OE1" 8 0 2 1 29.73 2761 77 + 2762 25 38.721000 -15.959000 -27.320000 77 Q B 2 "GLN " " NE2" 7 0 2 1 23.99 2762 77 + 2763 43 39.594000 -17.647000 -21.937000 77 Q B 2 "GLN " " H " 1 0 2 1 19.44 2763 77 + 2764 41 39.137000 -14.814000 -22.755000 77 Q B 2 "GLN " " HA " 1 0 2 1 20.8 2764 77 + 2765 41 37.152000 -15.602000 -24.010000 77 Q B 2 "GLN " " HB3" 1 0 2 1 20.67 2765 77 + 2766 41 37.698000 -17.292000 -23.719000 77 Q B 2 "GLN " " HB2" 1 0 2 1 20.67 2766 77 + 2767 41 39.878000 -16.693000 -24.730000 77 Q B 2 "GLN " " HG3" 1 0 2 1 24.88 2767 77 + 2768 41 39.309000 -15.105000 -25.051000 77 Q B 2 "GLN " " HG2" 1 0 2 1 24.88 2768 77 + 2769 43 38.369000 -16.263000 -28.217000 77 Q B 2 "GLN " "HE22" 1 0 2 1 23.99 2769 77 + 2770 43 39.301000 -15.135000 -27.258000 77 Q B 2 "GLN " "HE21" 1 0 2 1 23.99 2770 77 + 2771 25 37.080000 -14.522000 -21.357000 78 V B 2 "VAL " " N " 7 0 2 1 18.98 2771 78 + 2772 3 36.040000 -14.230000 -20.381000 78 V B 2 "VAL " " CA " 6 0 2 1 18.12 2772 78 + 2773 2 34.902000 -13.706000 -21.239000 78 V B 2 "VAL " " C " 6 0 2 1 18.13 2773 78 + 2774 15 35.185000 -12.957000 -22.181000 78 V B 2 "VAL " " O " 8 0 2 1 18.61 2774 78 + 2775 3 36.471000 -13.107000 -19.371000 78 V B 2 "VAL " " CB " 6 0 2 1 19.2 2775 78 + 2776 3 35.368000 -12.822000 -18.341000 78 V B 2 "VAL " " CG1" 6 0 2 1 14.65 2776 78 + 2777 3 37.759000 -13.538000 -18.675000 78 V B 2 "VAL " " CG2" 6 0 2 1 15.32 2777 78 + 2778 43 37.343000 -13.755000 -21.959000 78 V B 2 "VAL " " H " 1 0 2 1 18.98 2778 78 + 2779 41 35.741000 -15.134000 -19.851000 78 V B 2 "VAL " " HA " 1 0 2 1 18.12 2779 78 + 2780 41 36.668000 -12.193000 -19.931000 78 V B 2 "VAL " " HB " 1 0 2 1 19.2 2780 78 + 2781 41 35.701000 -12.040000 -17.658000 78 V B 2 "VAL " "HG11" 1 0 2 1 14.65 2781 78 + 2782 41 34.465000 -12.494000 -18.856000 78 V B 2 "VAL " "HG12" 1 0 2 1 14.65 2782 78 + 2783 41 35.154000 -13.729000 -17.776000 78 V B 2 "VAL " "HG13" 1 0 2 1 14.65 2783 78 + 2784 41 38.068000 -12.766000 -17.971000 78 V B 2 "VAL " "HG21" 1 0 2 1 15.32 2784 78 + 2785 41 37.588000 -14.471000 -18.138000 78 V B 2 "VAL " "HG22" 1 0 2 1 15.32 2785 78 + 2786 41 38.542000 -13.686000 -19.418000 78 V B 2 "VAL " "HG23" 1 0 2 1 15.32 2786 78 + 2787 25 33.641000 -14.007000 -20.911000 79 F B 2 "PHE " " N " 7 0 2 1 18.59 2787 79 + 2788 3 32.473000 -13.619000 -21.679000 79 F B 2 "PHE " " CA " 6 0 2 1 20.06 2788 79 + 2789 2 31.477000 -12.893000 -20.803000 79 F B 2 "PHE " " C " 6 0 2 1 20.24 2789 79 + 2790 15 31.224000 -13.275000 -19.657000 79 F B 2 "PHE " " O " 8 0 2 1 21.6 2790 79 + 2791 3 31.740000 -14.848000 -22.290000 79 F B 2 "PHE " " CB " 6 0 2 1 21.76 2791 79 + 2792 2 32.700000 -15.831000 -22.953000 79 F B 2 "PHE " " CG " 6 0 2 1 22.54 2792 79 + 2793 2 33.220000 -15.572000 -24.211000 79 F B 2 "PHE " " CD1" 6 0 2 1 23.96 2793 79 + 2794 2 33.132000 -16.933000 -22.241000 79 F B 2 "PHE " " CD2" 6 0 2 1 23.63 2794 79 + 2795 2 34.166000 -16.423000 -24.755000 79 F B 2 "PHE " " CE1" 6 0 2 1 22.59 2795 79 + 2796 2 34.075000 -17.777000 -22.792000 79 F B 2 "PHE " " CE2" 6 0 2 1 24.85 2796 79 + 2797 2 34.595000 -17.514000 -24.034000 79 F B 2 "PHE " " CZ " 6 0 2 1 23.09 2797 79 + 2798 43 33.450000 -14.541000 -20.075000 79 F B 2 "PHE " " H " 1 0 2 1 18.59 2798 79 + 2799 41 32.784000 -12.956000 -22.486000 79 F B 2 "PHE " " HA " 1 0 2 1 20.06 2799 79 + 2800 41 31.008000 -14.506000 -23.022000 79 F B 2 "PHE " " HB3" 1 0 2 1 21.76 2800 79 + 2801 41 31.179000 -15.361000 -21.509000 79 F B 2 "PHE " " HB2" 1 0 2 1 21.76 2801 79 + 2802 41 32.887000 -14.707000 -24.765000 79 F B 2 "PHE " " HD1" 1 0 2 1 23.96 2802 79 + 2803 41 32.732000 -17.131000 -21.258000 79 F B 2 "PHE " " HD2" 1 0 2 1 23.63 2803 79 + 2804 41 34.564000 -16.229000 -25.740000 79 F B 2 "PHE " " HE1" 1 0 2 1 22.59 2804 79 + 2805 41 34.406000 -18.648000 -22.245000 79 F B 2 "PHE " " HE2" 1 0 2 1 24.85 2805 79 + 2806 41 35.347000 -18.171000 -24.445000 79 F B 2 "PHE " " HZ " 1 0 2 1 23.09 2806 79 + 2807 25 30.910000 -11.832000 -21.347000 80 L B 2 "LEU " " N " 7 0 2 1 19.56 2807 80 + 2808 3 29.825000 -11.104000 -20.708000 80 L B 2 "LEU " " CA " 6 0 2 1 20.7 2808 80 + 2809 2 28.657000 -11.371000 -21.647000 80 L B 2 "LEU " " C " 6 0 2 1 23.21 2809 80 + 2810 15 28.734000 -11.171000 -22.877000 80 L B 2 "LEU " " O " 8 0 2 1 21.29 2810 80 + 2811 3 30.075000 -9.584000 -20.655000 80 L B 2 "LEU " " CB " 6 0 2 1 20.9 2811 80 + 2812 3 28.942000 -8.632000 -20.207000 80 L B 2 "LEU " " CG " 6 0 2 1 22.67 2812 80 + 2813 3 28.633000 -8.859000 -18.745000 80 L B 2 "LEU " " CD1" 6 0 2 1 22.32 2813 80 + 2814 3 29.358000 -7.184000 -20.371000 80 L B 2 "LEU " " CD2" 6 0 2 1 21.34 2814 80 + 2815 43 31.227000 -11.494000 -22.244000 80 L B 2 "LEU " " H " 1 0 2 1 19.56 2815 80 + 2816 41 29.623000 -11.500000 -19.713000 80 L B 2 "LEU " " HA " 1 0 2 1 20.7 2816 80 + 2817 41 30.454000 -9.253000 -21.622000 80 L B 2 "LEU " " HB3" 1 0 2 1 20.9 2817 80 + 2818 41 30.960000 -9.392000 -20.048000 80 L B 2 "LEU " " HB2" 1 0 2 1 20.9 2818 80 + 2819 41 28.049000 -8.824000 -20.802000 80 L B 2 "LEU " " HG " 1 0 2 1 22.67 2819 80 + 2820 41 27.834000 -8.186000 -18.433000 80 L B 2 "LEU " "HD11" 1 0 2 1 22.32 2820 80 + 2821 41 28.317000 -9.891000 -18.596000 80 L B 2 "LEU " "HD12" 1 0 2 1 22.32 2821 80 + 2822 41 29.525000 -8.663000 -18.150000 80 L B 2 "LEU " "HD13" 1 0 2 1 22.32 2822 80 + 2823 41 28.545000 -6.533000 -20.049000 80 L B 2 "LEU " "HD21" 1 0 2 1 21.34 2823 80 + 2824 41 30.241000 -6.988000 -19.763000 80 L B 2 "LEU " "HD22" 1 0 2 1 21.34 2824 80 + 2825 41 29.587000 -6.988000 -21.418000 80 L B 2 "LEU " "HD23" 1 0 2 1 21.34 2825 80 + 2826 25 27.576000 -11.854000 -21.070000 81 K B 2 "LYS " " N " 7 0 2 1 24.98 2826 81 + 2827 3 26.367000 -12.112000 -21.826000 81 K B 2 "LYS " " CA " 6 0 2 1 28.81 2827 81 + 2828 2 25.338000 -11.225000 -21.157000 81 K B 2 "LYS " " C " 6 0 2 1 30.02 2828 81 + 2829 15 25.273000 -11.117000 -19.927000 81 K B 2 "LYS " " O " 8 0 2 1 30.72 2829 81 + 2830 3 26.001000 -13.586000 -21.726000 81 K B 2 "LYS " " CB " 6 0 2 1 31.7 2830 81 + 2831 3 27.005000 -14.413000 -22.528000 81 K B 2 "LYS " " CG " 6 0 2 1 38.07 2831 81 + 2832 3 27.137000 -15.885000 -22.113000 81 K B 2 "LYS " " CD " 6 0 2 1 41.5 2832 81 + 2833 3 28.478000 -16.231000 -21.423000 81 K B 2 "LYS " " CE " 6 0 2 1 41.32 2833 81 + 2834 32 28.711000 -15.498000 -20.184000 81 K B 2 "LYS " " NZ " 7 1 2 1 39.41 2834 81 + 2835 43 27.578000 -12.053000 -20.080000 81 K B 2 "LYS " " H " 1 0 2 1 24.98 2835 81 + 2836 41 26.500000 -11.822000 -22.868000 81 K B 2 "LYS " " HA " 1 0 2 1 28.81 2836 81 + 2837 41 25.000000 -13.740000 -22.129000 81 K B 2 "LYS " " HB3" 1 0 2 1 31.7 2837 81 + 2838 41 26.027000 -13.897000 -20.681000 81 K B 2 "LYS " " HB2" 1 0 2 1 31.7 2838 81 + 2839 41 27.984000 -13.936000 -22.480000 81 K B 2 "LYS " " HG3" 1 0 2 1 38.07 2839 81 + 2840 41 26.752000 -14.359000 -23.587000 81 K B 2 "LYS " " HG2" 1 0 2 1 38.07 2840 81 + 2841 41 27.007000 -16.520000 -22.989000 81 K B 2 "LYS " " HD3" 1 0 2 1 41.5 2841 81 + 2842 41 26.312000 -16.149000 -21.452000 81 K B 2 "LYS " " HD2" 1 0 2 1 41.5 2842 81 + 2843 41 29.299000 -16.043000 -22.114000 81 K B 2 "LYS " " HE3" 1 0 2 1 41.32 2843 81 + 2844 41 28.515000 -17.302000 -21.222000 81 K B 2 "LYS " " HE2" 1 0 2 1 41.32 2844 81 + 2845 44 29.409000 -15.979000 -19.634000 81 K B 2 "LYS " " HZ1" 1 0 2 1 39.41 2845 81 + 2846 44 29.036000 -14.566000 -20.399000 81 K B 2 "LYS " " HZ2" 1 0 2 1 39.41 2846 81 + 2847 44 27.850000 -15.441000 -19.659000 81 K B 2 "LYS " " HZ3" 1 0 2 1 39.41 2847 81 + 2848 25 24.578000 -10.544000 -21.977000 82 M B 2 "MET " " N " 7 0 2 1 32.25 2848 82 + 2849 3 23.597000 -9.595000 -21.511000 82 M B 2 "MET " " CA " 6 0 2 1 37.97 2849 82 + 2850 2 22.338000 -9.802000 -22.346000 82 M B 2 "MET " " C " 6 0 2 1 38.66 2850 82 + 2851 15 22.415000 -10.085000 -23.548000 82 M B 2 "MET " " O " 8 0 2 1 37.22 2851 82 + 2852 3 24.216000 -8.226000 -21.692000 82 M B 2 "MET " " CB " 6 0 2 1 40.96 2852 82 + 2853 3 23.529000 -7.074000 -21.018000 82 M B 2 "MET " " CG " 6 0 2 1 45.55 2853 82 + 2854 49 24.734000 -5.729000 -20.916000 82 M B 2 "MET " " SD " 16 0 2 1 50.25 2854 82 + 2855 3 23.695000 -4.726000 -19.885000 82 M B 2 "MET " " CE " 6 0 2 1 47.82 2855 82 + 2856 43 24.668000 -10.674000 -22.975000 82 M B 2 "MET " " H " 1 0 2 1 32.25 2856 82 + 2857 41 23.379000 -9.770000 -20.457000 82 M B 2 "MET " " HA " 1 0 2 1 37.97 2857 82 + 2858 41 24.311000 -8.013000 -22.757000 82 M B 2 "MET " " HB3" 1 0 2 1 40.96 2858 82 + 2859 41 25.258000 -8.259000 -21.373000 82 M B 2 "MET " " HB2" 1 0 2 1 40.96 2859 82 + 2860 41 23.229000 -7.369000 -20.012000 82 M B 2 "MET " " HG3" 1 0 2 1 45.55 2860 82 + 2861 41 22.680000 -6.755000 -21.622000 82 M B 2 "MET " " HG2" 1 0 2 1 45.55 2861 82 + 2862 41 24.206000 -3.791000 -19.653000 82 M B 2 "MET " " HE1" 1 0 2 1 47.82 2862 82 + 2863 41 22.763000 -4.510000 -20.408000 82 M B 2 "MET " " HE2" 1 0 2 1 47.82 2863 82 + 2864 41 23.477000 -5.259000 -18.960000 82 M B 2 "MET " " HE3" 1 0 2 1 47.82 2864 82 + 2865 25 21.149000 -9.745000 -21.780000 83 N B 2 "ASN " " N " 7 0 0 1 40.23 2865 83 + 2866 3 19.947000 -9.915000 -22.588000 83 N B 2 "ASN " " CA " 6 0 0 1 44.05 2866 83 + 2867 2 18.950000 -8.851000 -22.154000 83 N B 2 "ASN " " C " 6 0 0 1 42.86 2867 83 + 2868 15 19.288000 -8.021000 -21.307000 83 N B 2 "ASN " " O " 8 0 0 1 40.24 2868 83 + 2869 3 19.403000 -11.348000 -22.409000 83 N B 2 "ASN " " CB " 6 0 0 1 47.58 2869 83 + 2870 2 19.006000 -11.690000 -20.985000 83 N B 2 "ASN " " CG " 6 0 0 1 50.78 2870 83 + 2871 15 18.022000 -11.160000 -20.463000 83 N B 2 "ASN " " OD1" 8 0 0 1 53.73 2871 83 + 2872 25 19.732000 -12.562000 -20.300000 83 N B 2 "ASN " " ND2" 7 0 0 1 52.35 2872 83 + 2873 43 21.070000 -9.584000 -20.786000 83 N B 2 "ASN " " H " 1 0 0 1 40.23 2873 83 + 2874 41 20.199000 -9.759000 -23.637000 83 N B 2 "ASN " " HA " 1 0 0 1 44.05 2874 83 + 2875 41 20.148000 -12.063000 -22.758000 83 N B 2 "ASN " " HB3" 1 0 0 1 47.58 2875 83 + 2876 41 18.547000 -11.494000 -23.068000 83 N B 2 "ASN " " HB2" 1 0 0 1 47.58 2876 83 + 2877 43 19.477000 -12.797000 -19.351000 83 N B 2 "ASN " "HD22" 1 0 0 1 52.35 2877 83 + 2878 43 20.540000 -12.992000 -20.727000 83 N B 2 "ASN " "HD21" 1 0 0 1 52.35 2878 83 + 2879 25 17.750000 -8.789000 -22.750000 84 S B 2 "SER " " N " 7 0 0 1 42.66 2879 84 + 2880 3 16.730000 -7.769000 -22.479000 84 S B 2 "SER " " CA " 6 0 0 1 41.61 2880 84 + 2881 2 17.300000 -6.357000 -22.614000 84 S B 2 "SER " " C " 6 0 0 1 40.19 2881 84 + 2882 15 17.160000 -5.491000 -21.740000 84 S B 2 "SER " " O " 8 0 0 1 40.97 2882 84 + 2883 3 16.156000 -7.947000 -21.069000 84 S B 2 "SER " " CB " 6 0 0 1 42.32 2883 84 + 2884 16 15.724000 -9.267000 -20.771000 84 S B 2 "SER " " OG " 8 0 0 1 44.83 2884 84 + 2885 43 17.494000 -9.478000 -23.442000 84 S B 2 "SER " " H " 1 0 0 1 42.66 2885 84 + 2886 41 15.921000 -7.887000 -23.200000 84 S B 2 "SER " " HA " 1 0 0 1 41.61 2886 84 + 2887 41 15.326000 -7.255000 -20.927000 84 S B 2 "SER " " HB3" 1 0 0 1 42.32 2887 84 + 2888 41 16.899000 -7.636000 -20.335000 84 S B 2 "SER " " HB2" 1 0 0 1 42.32 2888 84 + 2889 42 16.488000 -9.841000 -20.680000 84 S B 2 "SER " " HG " 1 0 0 1 44.83 2889 84 + 2890 25 17.919000 -6.141000 -23.770000 85 L B 2 "LEU " " N " 7 0 0 1 40.45 2890 85 + 2891 3 18.653000 -4.928000 -24.069000 85 L B 2 "LEU " " CA " 6 0 0 1 42.04 2891 85 + 2892 2 17.763000 -3.707000 -24.235000 85 L B 2 "LEU " " C " 6 0 0 1 44.01 2892 85 + 2893 15 16.660000 -3.786000 -24.760000 85 L B 2 "LEU " " O " 8 0 0 1 46.67 2893 85 + 2894 3 19.471000 -5.166000 -25.321000 85 L B 2 "LEU " " CB " 6 0 0 1 40.74 2894 85 + 2895 3 20.510000 -6.272000 -25.260000 85 L B 2 "LEU " " CG " 6 0 0 1 40.88 2895 85 + 2896 3 21.094000 -6.493000 -26.640000 85 L B 2 "LEU " " CD1" 6 0 0 1 39.04 2896 85 + 2897 3 21.595000 -5.896000 -24.271000 85 L B 2 "LEU " " CD2" 6 0 0 1 42.44 2897 85 + 2898 43 17.892000 -6.843000 -24.496000 85 L B 2 "LEU " " H " 1 0 0 1 40.45 2898 85 + 2899 41 19.341000 -4.737000 -23.246000 85 L B 2 "LEU " " HA " 1 0 0 1 42.04 2899 85 + 2900 41 19.955000 -4.235000 -25.615000 85 L B 2 "LEU " " HB3" 1 0 0 1 40.74 2900 85 + 2901 41 18.799000 -5.351000 -26.159000 85 L B 2 "LEU " " HB2" 1 0 0 1 40.74 2901 85 + 2902 41 20.030000 -7.192000 -24.927000 85 L B 2 "LEU " " HG " 1 0 0 1 40.88 2902 85 + 2903 41 21.840000 -7.287000 -26.597000 85 L B 2 "LEU " "HD11" 1 0 0 1 39.04 2903 85 + 2904 41 20.300000 -6.779000 -27.330000 85 L B 2 "LEU " "HD12" 1 0 0 1 39.04 2904 85 + 2905 41 21.563000 -5.573000 -26.988000 85 L B 2 "LEU " "HD13" 1 0 0 1 39.04 2905 85 + 2906 41 22.340000 -6.691000 -24.228000 85 L B 2 "LEU " "HD21" 1 0 0 1 42.44 2906 85 + 2907 41 22.072000 -4.969000 -24.589000 85 L B 2 "LEU " "HD22" 1 0 0 1 42.44 2907 85 + 2908 41 21.155000 -5.758000 -23.283000 85 L B 2 "LEU " "HD23" 1 0 0 1 42.44 2908 85 + 2909 25 18.223000 -2.549000 -23.777000 86 H B 2 "HIS " " N " 7 0 0 1 44.63 2909 86 + 2910 3 17.444000 -1.318000 -23.767000 86 H B 2 "HIS " " CA " 6 0 0 1 45.13 2910 86 + 2911 2 18.373000 -0.306000 -24.431000 86 H B 2 "HIS " " C " 6 0 0 1 41.39 2911 86 + 2912 15 19.586000 -0.539000 -24.429000 86 H B 2 "HIS " " O " 8 0 0 1 38.37 2912 86 + 2913 3 17.119000 -0.839000 -22.309000 86 H B 2 "HIS " " CB " 6 0 0 1 51.26 2913 86 + 2914 2 16.677000 -1.889000 -21.270000 86 H B 2 "HIS " " CG " 6 0 0 1 58.87 2914 86 + 2915 25 17.565000 -2.804000 -20.758000 86 H B 2 "HIS " " ND1" 7 0 0 1 62.46 2915 86 + 2916 2 15.499000 -2.186000 -20.693000 86 H B 2 "HIS " " CD2" 6 0 0 1 60.48 2916 86 + 2917 2 16.899000 -3.582000 -19.944000 86 H B 2 "HIS " " CE1" 6 0 0 1 61.84 2917 86 + 2918 25 15.649000 -3.224000 -19.890000 86 H B 2 "HIS " " NE2" 7 0 0 1 61.83 2918 86 + 2919 43 19.162000 -2.488000 -23.409000 86 H B 2 "HIS " " H " 1 0 0 1 44.63 2919 86 + 2920 41 16.528000 -1.437000 -24.346000 86 H B 2 "HIS " " HA " 1 0 0 1 45.13 2920 86 + 2921 41 16.373000 -0.045000 -22.353000 86 H B 2 "HIS " " HB3" 1 0 0 1 51.26 2921 86 + 2922 41 17.973000 -0.287000 -21.917000 86 H B 2 "HIS " " HB2" 1 0 0 1 51.26 2922 86 + 2923 43 18.602000 -2.776000 -21.057000 86 H B 2 "HIS " " HD1" 1 0 0 1 62.46 2923 86 + 2924 41 14.679000 -1.637000 -20.907000 86 H B 2 "HIS " " HD2" 1 0 0 1 60.48 2924 86 + 2925 41 17.372000 -4.334000 -19.464000 86 H B 2 "HIS " " HE1" 1 0 0 1 61.84 2925 86 + 2926 25 17.951000 0.841000 -24.966000 87 T B 2 "THR " " N " 7 0 0 1 37.58 2926 87 + 2927 3 18.883000 1.796000 -25.556000 87 T B 2 "THR " " CA " 6 0 0 1 37.74 2927 87 + 2928 2 19.847000 2.429000 -24.567000 87 T B 2 "THR " " C " 6 0 0 1 33.31 2928 87 + 2929 15 20.916000 2.894000 -24.945000 87 T B 2 "THR " " O " 8 0 0 1 30.9 2929 87 + 2930 3 18.114000 2.905000 -26.273000 87 T B 2 "THR " " CB " 6 0 0 1 40.64 2930 87 + 2931 16 17.036000 3.278000 -25.411000 87 T B 2 "THR " " OG1" 8 0 0 1 44.7 2931 87 + 2932 3 17.648000 2.464000 -27.662000 87 T B 2 "THR " " CG2" 6 0 0 1 42.5 2932 87 + 2933 43 16.966000 1.065000 -24.969000 87 T B 2 "THR " " H " 1 0 0 1 37.58 2933 87 + 2934 41 19.474000 1.265000 -26.303000 87 T B 2 "THR " " HA " 1 0 0 1 37.74 2934 87 + 2935 41 18.776000 3.764000 -26.388000 87 T B 2 "THR " " HB " 1 0 0 1 40.64 2935 87 + 2936 42 16.790000 4.190000 -25.582000 87 T B 2 "THR " " HG1" 1 0 0 1 44.7 2936 87 + 2937 41 17.105000 3.280000 -28.140000 87 T B 2 "THR " "HG21" 1 0 0 1 42.5 2937 87 + 2938 41 18.514000 2.200000 -28.269000 87 T B 2 "THR " "HG22" 1 0 0 1 42.5 2938 87 + 2939 41 16.993000 1.598000 -27.568000 87 T B 2 "THR " "HG23" 1 0 0 1 42.5 2939 87 + 2940 25 19.519000 2.436000 -23.273000 88 D B 2 "ASP " " N " 7 0 0 1 33.88 2940 88 + 2941 3 20.434000 2.943000 -22.265000 88 D B 2 "ASP " " CA " 6 0 0 1 34.06 2941 88 + 2942 2 21.599000 2.016000 -21.976000 88 D B 2 "ASP " " C " 6 0 0 1 30.07 2942 88 + 2943 15 22.459000 2.351000 -21.168000 88 D B 2 "ASP " " O " 8 0 0 1 29.93 2943 88 + 2944 3 19.667000 3.252000 -20.980000 88 D B 2 "ASP " " CB " 6 0 0 1 36.7 2944 88 + 2945 2 18.705000 4.418000 -21.193000 88 D B 2 "ASP " " CG " 6 0 0 1 42.3 2945 88 + 2946 15 19.073000 5.462000 -21.752000 88 D B 2 "ASP " " OD1" 8 0 0 1 43.35 2946 88 + 2947 18 17.553000 4.254000 -20.819000 88 D B 2 "ASP " " OD2" 8 -1 0 1 45.96 2947 88 + 2948 43 18.619000 2.084000 -22.978000 88 D B 2 "ASP " " H " 1 0 0 1 33.88 2948 88 + 2949 41 20.845000 3.882000 -22.636000 88 D B 2 "ASP " " HA " 1 0 0 1 34.06 2949 88 + 2950 41 20.372000 3.503000 -20.188000 88 D B 2 "ASP " " HB3" 1 0 0 1 36.7 2950 88 + 2951 41 19.106000 2.370000 -20.671000 88 D B 2 "ASP " " HB2" 1 0 0 1 36.7 2951 88 + 2952 25 21.635000 0.862000 -22.647000 89 D B 2 "ASP " " N " 7 0 0 1 27.06 2952 89 + 2953 3 22.790000 -0.034000 -22.632000 89 D B 2 "ASP " " CA " 6 0 0 1 28.97 2953 89 + 2954 2 23.842000 0.381000 -23.675000 89 D B 2 "ASP " " C " 6 0 0 1 25.9 2954 89 + 2955 15 24.880000 -0.268000 -23.795000 89 D B 2 "ASP " " O " 8 0 0 1 25.58 2955 89 + 2956 3 22.350000 -1.496000 -22.912000 89 D B 2 "ASP " " CB " 6 0 0 1 28.29 2956 89 + 2957 2 21.489000 -2.140000 -21.831000 89 D B 2 "ASP " " CG " 6 0 0 1 28.53 2957 89 + 2958 15 21.618000 -1.788000 -20.666000 89 D B 2 "ASP " " OD1" 8 0 0 1 28.81 2958 89 + 2959 18 20.695000 -3.017000 -22.146000 89 D B 2 "ASP " " OD2" 8 -1 0 1 26.95 2959 89 + 2960 43 20.839000 0.573000 -23.198000 89 D B 2 "ASP " " H " 1 0 0 1 27.06 2960 89 + 2961 41 23.247000 0.007000 -21.643000 89 D B 2 "ASP " " HA " 1 0 0 1 28.97 2961 89 + 2962 41 23.233000 -2.111000 -23.083000 89 D B 2 "ASP " " HB3" 1 0 0 1 28.29 2962 89 + 2963 41 21.822000 -1.537000 -23.865000 89 D B 2 "ASP " " HB2" 1 0 0 1 28.29 2963 89 + 2964 25 23.601000 1.442000 -24.463000 90 T B 2 "THR " " N " 7 0 0 1 22.88 2964 90 + 2965 3 24.568000 1.932000 -25.444000 90 T B 2 "THR " " CA " 6 0 0 1 23.95 2965 90 + 2966 2 25.749000 2.484000 -24.661000 90 T B 2 "THR " " C " 6 0 0 1 21.35 2966 90 + 2967 15 25.557000 3.389000 -23.846000 90 T B 2 "THR " " O " 8 0 0 1 21.53 2967 90 + 2968 3 23.921000 3.047000 -26.331000 90 T B 2 "THR " " CB " 6 0 0 1 25.74 2968 90 + 2969 16 22.864000 2.377000 -27.026000 90 T B 2 "THR " " OG1" 8 0 0 1 26.97 2969 90 + 2970 3 24.879000 3.757000 -27.288000 90 T B 2 "THR " " CG2" 6 0 0 1 23.62 2970 90 + 2971 43 22.723000 1.935000 -24.391000 90 T B 2 "THR " " H " 1 0 0 1 22.88 2971 90 + 2972 41 24.900000 1.108000 -26.075000 90 T B 2 "THR " " HA " 1 0 0 1 23.95 2972 90 + 2973 41 23.478000 3.794000 -25.673000 90 T B 2 "THR " " HB " 1 0 0 1 25.74 2973 90 + 2974 42 22.061000 2.416000 -26.502000 90 T B 2 "THR " " HG1" 1 0 0 1 26.97 2974 90 + 2975 41 24.334000 4.510000 -27.856000 90 T B 2 "THR " "HG21" 1 0 0 1 23.62 2975 90 + 2976 41 25.673000 4.238000 -26.717000 90 T B 2 "THR " "HG22" 1 0 0 1 23.62 2976 90 + 2977 41 25.314000 3.030000 -27.974000 90 T B 2 "THR " "HG23" 1 0 0 1 23.62 2977 90 + 2978 25 26.953000 1.959000 -24.875000 91 A B 2 "ALA " " N " 7 0 2 1 21.72 2978 91 + 2979 3 28.104000 2.354000 -24.089000 91 A B 2 "ALA " " CA " 6 0 2 1 22.19 2979 91 + 2980 2 29.372000 1.756000 -24.678000 91 A B 2 "ALA " " C " 6 0 2 1 19.48 2980 91 + 2981 15 29.361000 0.999000 -25.645000 91 A B 2 "ALA " " O " 8 0 2 1 19.01 2981 91 + 2982 3 27.947000 1.832000 -22.652000 91 A B 2 "ALA " " CB " 6 0 2 1 17.84 2982 91 + 2983 43 27.081000 1.267000 -25.600000 91 A B 2 "ALA " " H " 1 0 2 1 21.72 2983 91 + 2984 41 28.183000 3.441000 -24.077000 91 A B 2 "ALA " " HA " 1 0 2 1 22.19 2984 91 + 2985 41 28.813000 2.129000 -22.060000 91 A B 2 "ALA " " HB1" 1 0 2 1 17.84 2985 91 + 2986 41 27.044000 2.252000 -22.209000 91 A B 2 "ALA " " HB2" 1 0 2 1 17.84 2986 91 + 2987 41 27.873000 0.745000 -22.666000 91 A B 2 "ALA " " HB3" 1 0 2 1 17.84 2987 91 + 2988 25 30.492000 2.155000 -24.114000 92 R B 2 "ARG " " N " 7 0 2 1 20.12 2988 92 + 2989 3 31.753000 1.497000 -24.365000 92 R B 2 "ARG " " CA " 6 0 2 1 18.84 2989 92 + 2990 2 31.905000 0.484000 -23.236000 92 R B 2 "ARG " " C " 6 0 2 1 16.51 2990 92 + 2991 15 31.730000 0.859000 -22.080000 92 R B 2 "ARG " " O " 8 0 2 1 16.79 2991 92 + 2992 3 32.859000 2.504000 -24.310000 92 R B 2 "ARG " " CB " 6 0 2 1 19.79 2992 92 + 2993 3 34.146000 1.860000 -24.752000 92 R B 2 "ARG " " CG " 6 0 2 1 24.39 2993 92 + 2994 3 35.141000 2.945000 -25.026000 92 R B 2 "ARG " " CD " 6 0 2 1 29.03 2994 92 + 2995 25 36.167000 2.312000 -25.819000 92 R B 2 "ARG " " NE " 7 0 2 1 36.81 2995 92 + 2996 2 36.198000 2.397000 -27.151000 92 R B 2 "ARG " " CZ " 6 0 2 1 38.65 2996 92 + 2997 25 35.325000 3.148000 -27.827000 92 R B 2 "ARG " " NH1" 7 0 2 1 40.45 2997 92 + 2998 31 37.151000 1.735000 -27.804000 92 R B 2 "ARG " " NH2" 7 1 2 1 39.51 2998 92 + 2999 43 30.487000 2.944000 -23.484000 92 R B 2 "ARG " " H " 1 0 2 1 20.12 2999 92 + 3000 41 31.738000 0.995000 -25.332000 92 R B 2 "ARG " " HA " 1 0 2 1 18.84 3000 92 + 3001 41 32.968000 2.869000 -23.289000 92 R B 2 "ARG " " HB3" 1 0 2 1 19.79 3001 92 + 3002 41 32.624000 3.338000 -24.972000 92 R B 2 "ARG " " HB2" 1 0 2 1 19.79 3002 92 + 3003 41 33.972000 1.289000 -25.664000 92 R B 2 "ARG " " HG3" 1 0 2 1 24.39 3003 92 + 3004 41 34.521000 1.216000 -23.957000 92 R B 2 "ARG " " HG2" 1 0 2 1 24.39 3004 92 + 3005 41 35.571000 3.287000 -24.085000 92 R B 2 "ARG " " HD3" 1 0 2 1 29.03 3005 92 + 3006 41 34.666000 3.732000 -25.612000 92 R B 2 "ARG " " HD2" 1 0 2 1 29.03 3006 92 + 3007 43 36.880000 1.790000 -25.330000 92 R B 2 "ARG " " HE " 1 0 2 1 36.81 3007 92 + 3008 43 35.372000 3.193000 -28.835000 92 R B 2 "ARG " "HH12" 1 0 2 1 40.45 3008 92 + 3009 43 34.618000 3.671000 -27.330000 92 R B 2 "ARG " "HH11" 1 0 2 1 40.45 3009 92 + 3010 44 37.198000 1.781000 -28.812000 92 R B 2 "ARG " "HH22" 1 0 2 1 39.51 3010 92 + 3011 44 37.827000 1.186000 -27.292000 92 R B 2 "ARG " "HH21" 1 0 2 1 39.51 3011 92 + 3012 25 32.220000 -0.772000 -23.534000 93 Y B 2 "TYR " " N " 7 0 2 1 16.86 3012 93 + 3013 3 32.302000 -1.842000 -22.550000 93 Y B 2 "TYR " " CA " 6 0 2 1 18.22 3013 93 + 3014 2 33.775000 -2.198000 -22.412000 93 Y B 2 "TYR " " C " 6 0 2 1 19.03 3014 93 + 3015 15 34.430000 -2.301000 -23.464000 93 Y B 2 "TYR " " O " 8 0 2 1 20.09 3015 93 + 3016 3 31.494000 -3.103000 -23.010000 93 Y B 2 "TYR " " CB " 6 0 2 1 17.04 3016 93 + 3017 2 30.000000 -2.919000 -22.825000 93 Y B 2 "TYR " " CG " 6 0 2 1 18.3 3017 93 + 3018 2 29.281000 -2.100000 -23.691000 93 Y B 2 "TYR " " CD1" 6 0 2 1 17.07 3018 93 + 3019 2 29.373000 -3.520000 -21.747000 93 Y B 2 "TYR " " CD2" 6 0 2 1 19.14 3019 93 + 3020 2 27.935000 -1.861000 -23.461000 93 Y B 2 "TYR " " CE1" 6 0 2 1 19.34 3020 93 + 3021 2 28.023000 -3.283000 -21.524000 93 Y B 2 "TYR " " CE2" 6 0 2 1 18.71 3021 93 + 3022 2 27.314000 -2.459000 -22.374000 93 Y B 2 "TYR " " CZ " 6 0 2 1 19.85 3022 93 + 3023 16 25.984000 -2.211000 -22.104000 93 Y B 2 "TYR " " OH " 8 0 2 1 21.23 3023 93 + 3024 43 32.419000 -1.029000 -24.490000 93 Y B 2 "TYR " " H " 1 0 2 1 16.86 3024 93 + 3025 41 31.918000 -1.490000 -21.592000 93 Y B 2 "TYR " " HA " 1 0 2 1 18.22 3025 93 + 3026 41 31.825000 -3.973000 -22.443000 93 Y B 2 "TYR " " HB3" 1 0 2 1 17.04 3026 93 + 3027 41 31.707000 -3.307000 -24.059000 93 Y B 2 "TYR " " HB2" 1 0 2 1 17.04 3027 93 + 3028 41 29.772000 -1.651000 -24.542000 93 Y B 2 "TYR " " HD1" 1 0 2 1 17.07 3028 93 + 3029 41 29.933000 -4.167000 -21.088000 93 Y B 2 "TYR " " HD2" 1 0 2 1 19.14 3029 93 + 3030 41 27.380000 -1.215000 -24.125000 93 Y B 2 "TYR " " HE1" 1 0 2 1 19.34 3030 93 + 3031 41 27.525000 -3.744000 -20.684000 93 Y B 2 "TYR " " HE2" 1 0 2 1 18.71 3031 93 + 3032 42 25.654000 -1.541000 -22.707000 93 Y B 2 "TYR " " HH " 1 0 2 1 21.23 3032 93 + 3033 25 34.249000 -2.443000 -21.186000 94 Y B 2 "TYR " " N " 7 0 2 1 15.68 3033 94 + 3034 3 35.646000 -2.680000 -20.868000 94 Y B 2 "TYR " " CA " 6 0 2 1 14.12 3034 94 + 3035 2 35.761000 -3.886000 -19.995000 94 Y B 2 "TYR " " C " 6 0 2 1 13.9 3035 94 + 3036 15 34.903000 -4.067000 -19.123000 94 Y B 2 "TYR " " O " 8 0 2 1 15.28 3036 94 + 3037 3 36.307000 -1.623000 -20.028000 94 Y B 2 "TYR " " CB " 6 0 2 1 14.26 3037 94 + 3038 2 36.460000 -0.221000 -20.601000 94 Y B 2 "TYR " " CG " 6 0 2 1 16.04 3038 94 + 3039 2 37.569000 0.065000 -21.386000 94 Y B 2 "TYR " " CD1" 6 0 2 1 16.5 3039 94 + 3040 2 35.511000 0.752000 -20.309000 94 Y B 2 "TYR " " CD2" 6 0 2 1 17.71 3040 94 + 3041 2 37.741000 1.337000 -21.890000 94 Y B 2 "TYR " " CE1" 6 0 2 1 17.17 3041 94 + 3042 2 35.677000 2.035000 -20.816000 94 Y B 2 "TYR " " CE2" 6 0 2 1 19.45 3042 94 + 3043 2 36.797000 2.299000 -21.593000 94 Y B 2 "TYR " " CZ " 6 0 2 1 20.55 3043 94 + 3044 16 37.004000 3.566000 -22.055000 94 Y B 2 "TYR " " OH " 8 0 2 1 23.96 3044 94 + 3045 43 33.619000 -2.473000 -20.398000 94 Y B 2 "TYR " " H " 1 0 2 1 15.68 3045 94 + 3046 41 36.214000 -2.832000 -21.786000 94 Y B 2 "TYR " " HA " 1 0 2 1 14.12 3046 94 + 3047 41 37.283000 -1.984000 -19.705000 94 Y B 2 "TYR " " HB3" 1 0 2 1 14.26 3047 94 + 3048 41 35.796000 -1.561000 -19.067000 94 Y B 2 "TYR " " HB2" 1 0 2 1 14.26 3048 94 + 3049 41 38.293000 -0.707000 -21.600000 94 Y B 2 "TYR " " HD1" 1 0 2 1 16.5 3049 94 + 3050 41 34.657000 0.507000 -19.695000 94 Y B 2 "TYR " " HD2" 1 0 2 1 17.71 3050 94 + 3051 41 38.601000 1.563000 -22.503000 94 Y B 2 "TYR " " HE1" 1 0 2 1 17.17 3051 94 + 3052 41 34.944000 2.799000 -20.603000 94 Y B 2 "TYR " " HE2" 1 0 2 1 19.45 3052 94 + 3053 42 36.278000 4.130000 -21.779000 94 Y B 2 "TYR " " HH " 1 0 2 1 23.96 3053 94 + 3054 25 36.761000 -4.748000 -20.234000 95 C B 2 "CYS " " N " 7 0 2 1 14.2 3054 95 + 3055 3 37.149000 -5.720000 -19.250000 95 C B 2 "CYS " " CA " 6 0 2 1 13.05 3055 95 + 3056 2 38.438000 -5.178000 -18.638000 95 C B 2 "CYS " " C " 6 0 2 1 14.09 3056 95 + 3057 15 39.215000 -4.447000 -19.310000 95 C B 2 "CYS " " O " 8 0 2 1 16.12 3057 95 + 3058 3 37.343000 -7.080000 -19.888000 95 C B 2 "CYS " " CB " 6 0 2 1 15.85 3058 95 + 3059 49 38.492000 -7.300000 -21.257000 95 C B 2 "CYS " " SG " 16 0 2 1 16.65 3059 95 + 3060 43 37.253000 -4.719000 -21.116000 95 C B 2 "CYS " " H " 1 0 2 1 14.2 3060 95 + 3061 41 36.380000 -5.785000 -18.480000 95 C B 2 "CYS " " HA " 1 0 2 1 13.05 3061 95 + 3062 41 36.370000 -7.476000 -20.178000 95 C B 2 "CYS " " HB3" 1 0 2 1 15.85 3062 95 + 3063 41 37.580000 -7.804000 -19.109000 95 C B 2 "CYS " " HB2" 1 0 2 1 15.85 3063 95 + 3064 25 38.670000 -5.454000 -17.359000 96 A B 2 "ALA " " N " 7 0 2 1 13.4 3064 96 + 3065 3 39.853000 -4.999000 -16.655000 96 A B 2 "ALA " " CA " 6 0 2 1 12.33 3065 96 + 3066 2 40.282000 -6.103000 -15.699000 96 A B 2 "ALA " " C " 6 0 2 1 13.7 3066 96 + 3067 15 39.436000 -6.805000 -15.115000 96 A B 2 "ALA " " O " 8 0 2 1 14.36 3067 96 + 3068 3 39.570000 -3.768000 -15.826000 96 A B 2 "ALA " " CB " 6 0 2 1 10 3068 96 + 3069 43 38.006000 -6.004000 -16.833000 96 A B 2 "ALA " " H " 1 0 2 1 13.4 3069 96 + 3070 41 40.652000 -4.792000 -17.367000 96 A B 2 "ALA " " HA " 1 0 2 1 12.33 3070 96 + 3071 41 40.480000 -3.457000 -15.314000 96 A B 2 "ALA " " HB1" 1 0 2 1 10 3071 96 + 3072 41 39.226000 -2.963000 -16.476000 96 A B 2 "ALA " " HB2" 1 0 2 1 10 3072 96 + 3073 41 38.799000 -3.994000 -15.090000 96 A B 2 "ALA " " HB3" 1 0 2 1 10 3073 96 + 3074 25 41.589000 -6.349000 -15.588000 97 R B 2 "ARG " " N " 7 0 2 1 12.97 3074 97 + 3075 3 42.117000 -7.298000 -14.633000 97 R B 2 "ARG " " CA " 6 0 2 1 12.03 3075 97 + 3076 2 42.064000 -6.729000 -13.201000 97 R B 2 "ARG " " C " 6 0 2 1 14.46 3076 97 + 3077 15 42.436000 -5.571000 -12.918000 97 R B 2 "ARG " " O " 8 0 2 1 16.3 3077 97 + 3078 3 43.572000 -7.634000 -14.990000 97 R B 2 "ARG " " CB " 6 0 2 1 11.35 3078 97 + 3079 3 44.068000 -8.837000 -14.175000 97 R B 2 "ARG " " CG " 6 0 2 1 12.2 3079 97 + 3080 3 45.504000 -9.186000 -14.434000 97 R B 2 "ARG " " CD " 6 0 2 1 10.15 3080 97 + 3081 25 46.470000 -8.305000 -13.813000 97 R B 2 "ARG " " NE " 7 0 2 1 14.9 3081 97 + 3082 2 47.753000 -8.644000 -13.702000 97 R B 2 "ARG " " CZ " 6 0 2 1 13.92 3082 97 + 3083 25 48.190000 -9.842000 -14.086000 97 R B 2 "ARG " " NH1" 7 0 2 1 14.34 3083 97 + 3084 31 48.608000 -7.820000 -13.102000 97 R B 2 "ARG " " NH2" 7 1 2 1 16.95 3084 97 + 3085 43 42.246000 -5.865000 -16.183000 97 R B 2 "ARG " " H " 1 0 2 1 12.97 3085 97 + 3086 41 41.522000 -8.210000 -14.674000 97 R B 2 "ARG " " HA " 1 0 2 1 12.03 3086 97 + 3087 41 44.205000 -6.771000 -14.784000 97 R B 2 "ARG " " HB3" 1 0 2 1 11.35 3087 97 + 3088 41 43.641000 -7.863000 -16.053000 97 R B 2 "ARG " " HB2" 1 0 2 1 11.35 3088 97 + 3089 41 43.441000 -9.702000 -14.390000 97 R B 2 "ARG " " HG3" 1 0 2 1 12.2 3089 97 + 3090 41 43.931000 -8.636000 -13.113000 97 R B 2 "ARG " " HG2" 1 0 2 1 12.2 3090 97 + 3091 41 45.680000 -9.213000 -15.509000 97 R B 2 "ARG " " HD3" 1 0 2 1 10.15 3091 97 + 3092 41 45.690000 -10.210000 -14.111000 97 R B 2 "ARG " " HD2" 1 0 2 1 10.15 3092 97 + 3093 43 46.151000 -7.414000 -13.459000 97 R B 2 "ARG " " HE " 1 0 2 1 14.9 3093 97 + 3094 43 49.168000 -10.077000 -13.992000 97 R B 2 "ARG " "HH12" 1 0 2 1 14.34 3094 97 + 3095 43 47.544000 -10.516000 -14.471000 97 R B 2 "ARG " "HH11" 1 0 2 1 14.34 3095 97 + 3096 44 49.581000 -8.076000 -13.017000 97 R B 2 "ARG " "HH22" 1 0 2 1 16.95 3096 97 + 3097 44 48.284000 -6.938000 -12.731000 97 R B 2 "ARG " "HH21" 1 0 2 1 16.95 3097 97 + 3098 25 41.586000 -7.562000 -12.280000 98 E B 2 "GLU " " N " 7 0 2 1 12.47 3098 98 + 3099 3 41.648000 -7.217000 -10.886000 98 E B 2 "GLU " " CA " 6 0 2 1 12.99 3099 98 + 3100 2 42.817000 -7.978000 -10.288000 98 E B 2 "GLU " " C " 6 0 2 1 11.55 3100 98 + 3101 15 42.907000 -9.213000 -10.402000 98 E B 2 "GLU " " O " 8 0 2 1 14.1 3101 98 + 3102 3 40.400000 -7.618000 -10.144000 98 E B 2 "GLU " " CB " 6 0 2 1 14.25 3102 98 + 3103 3 40.452000 -7.154000 -8.673000 98 E B 2 "GLU " " CG " 6 0 2 1 15.05 3103 98 + 3104 2 39.092000 -7.121000 -7.975000 98 E B 2 "GLU " " CD " 6 0 2 1 17.2 3104 98 + 3105 15 38.092000 -6.939000 -8.658000 98 E B 2 "GLU " " OE1" 8 0 2 1 15.93 3105 98 + 3106 18 39.050000 -7.260000 -6.756000 98 E B 2 "GLU " " OE2" 8 -1 2 1 15.39 3106 98 + 3107 43 41.177000 -8.442000 -12.559000 98 E B 2 "GLU " " H " 1 0 2 1 12.47 3107 98 + 3108 41 41.812000 -6.145000 -10.779000 98 E B 2 "GLU " " HA " 1 0 2 1 12.99 3108 98 + 3109 41 40.290000 -8.702000 -10.179000 98 E B 2 "GLU " " HB3" 1 0 2 1 14.25 3109 98 + 3110 41 39.530000 -7.178000 -10.633000 98 E B 2 "GLU " " HB2" 1 0 2 1 14.25 3110 98 + 3111 41 40.908000 -6.165000 -8.622000 98 E B 2 "GLU " " HG3" 1 0 2 1 15.05 3111 98 + 3112 41 41.129000 -7.800000 -8.114000 98 E B 2 "GLU " " HG2" 1 0 2 1 15.05 3112 98 + 3113 25 43.681000 -7.248000 -9.612000 99 R B 2 "ARG " " N " 7 0 2 1 10.98 3113 99 + 3114 3 44.751000 -7.824000 -8.850000 99 R B 2 "ARG " " CA " 6 0 2 1 11.85 3114 99 + 3115 2 44.632000 -7.287000 -7.430000 99 R B 2 "ARG " " C " 6 0 2 1 10.49 3115 99 + 3116 15 44.845000 -6.103000 -7.200000 99 R B 2 "ARG " " O " 8 0 2 1 11.09 3116 99 + 3117 3 46.067000 -7.416000 -9.442000 99 R B 2 "ARG " " CB " 6 0 2 1 15.4 3117 99 + 3118 3 47.138000 -8.143000 -8.709000 99 R B 2 "ARG " " CG " 6 0 2 1 20.02 3118 99 + 3119 3 48.379000 -7.350000 -8.849000 99 R B 2 "ARG " " CD " 6 0 2 1 22.84 3119 99 + 3120 25 49.340000 -8.022000 -8.030000 99 R B 2 "ARG " " NE " 7 0 2 1 30.25 3120 99 + 3121 2 50.559000 -7.546000 -7.851000 99 R B 2 "ARG " " CZ " 6 0 2 1 35.06 3121 99 + 3122 25 51.024000 -6.483000 -8.527000 99 R B 2 "ARG " " NH1" 7 0 2 1 37.67 3122 99 + 3123 31 51.336000 -8.225000 -7.018000 99 R B 2 "ARG " " NH2" 7 1 2 1 37.39 3123 99 + 3124 43 43.605000 -6.241000 -9.617000 99 R B 2 "ARG " " H " 1 0 2 1 10.98 3124 99 + 3125 41 44.664000 -8.911000 -8.847000 99 R B 2 "ARG " " HA " 1 0 2 1 11.85 3125 99 + 3126 41 46.205000 -6.342000 -9.315000 99 R B 2 "ARG " " HB3" 1 0 2 1 15.4 3126 99 + 3127 41 46.094000 -7.696000 -10.495000 99 R B 2 "ARG " " HB2" 1 0 2 1 15.4 3127 99 + 3128 41 47.283000 -9.125000 -9.159000 99 R B 2 "ARG " " HG3" 1 0 2 1 20.02 3128 99 + 3129 41 46.871000 -8.215000 -7.655000 99 R B 2 "ARG " " HG2" 1 0 2 1 20.02 3129 99 + 3130 41 48.212000 -6.346000 -8.460000 99 R B 2 "ARG " " HD3" 1 0 2 1 22.84 3130 99 + 3131 41 48.709000 -7.375000 -9.888000 99 R B 2 "ARG " " HD2" 1 0 2 1 22.84 3131 99 + 3132 43 49.064000 -8.884000 -7.582000 99 R B 2 "ARG " " HE " 1 0 2 1 30.25 3132 99 + 3133 43 51.963000 -6.150000 -8.361000 99 R B 2 "ARG " "HH12" 1 0 2 1 37.67 3133 99 + 3134 43 50.435000 -6.016000 -9.202000 99 R B 2 "ARG " "HH11" 1 0 2 1 37.67 3134 99 + 3135 44 52.279000 -7.912000 -6.839000 99 R B 2 "ARG " "HH22" 1 0 2 1 37.39 3135 99 + 3136 44 50.984000 -9.055000 -6.563000 99 R B 2 "ARG " "HH21" 1 0 2 1 37.39 3136 99 + 3137 25 44.224000 -8.106000 -6.464000 100 D B 2 "ASP " " N " 7 0 0 1 8.92 3137 100 + 3138 3 44.160000 -7.700000 -5.079000 100 D B 2 "ASP " " CA " 6 0 0 1 10.96 3138 100 + 3139 2 43.546000 -6.307000 -4.775000 100 D B 2 "ASP " " C " 6 0 0 1 10.1 3139 100 + 3140 15 44.097000 -5.418000 -4.135000 100 D B 2 "ASP " " O " 8 0 0 1 10.77 3140 100 + 3141 3 45.581000 -7.797000 -4.494000 100 D B 2 "ASP " " CB " 6 0 0 1 9.55 3141 100 + 3142 2 45.614000 -7.785000 -2.979000 100 D B 2 "ASP " " CG " 6 0 0 1 12.58 3142 100 + 3143 15 44.706000 -8.363000 -2.378000 100 D B 2 "ASP " " OD1" 8 0 0 1 12.97 3143 100 + 3144 18 46.531000 -7.213000 -2.416000 100 D B 2 "ASP " " OD2" 8 -1 0 1 14.49 3144 100 + 3145 43 43.945000 -9.051000 -6.687000 100 D B 2 "ASP " " H " 1 0 0 1 8.92 3145 100 + 3146 41 43.550000 -8.438000 -4.558000 100 D B 2 "ASP " " HA " 1 0 0 1 10.96 3146 100 + 3147 41 46.186000 -6.975000 -4.876000 100 D B 2 "ASP " " HB3" 1 0 0 1 9.55 3147 100 + 3148 41 46.061000 -8.705000 -4.859000 100 D B 2 "ASP " " HB2" 1 0 0 1 9.55 3148 100 + 3149 25 42.289000 -6.227000 -5.245000 101 Y B 2 "TYR " " N " 7 0 0 1 9.35 3149 101 + 3150 3 41.403000 -5.080000 -5.045000 101 Y B 2 "TYR " " CA " 6 0 0 1 10.99 3150 101 + 3151 2 41.802000 -3.751000 -5.704000 101 Y B 2 "TYR " " C " 6 0 0 1 13.35 3151 101 + 3152 15 41.624000 -2.657000 -5.149000 101 Y B 2 "TYR " " O " 8 0 0 1 11.81 3152 101 + 3153 3 41.157000 -4.919000 -3.480000 101 Y B 2 "TYR " " CB " 6 0 0 1 12.47 3153 101 + 3154 2 40.623000 -6.223000 -2.907000 101 Y B 2 "TYR " " CG " 6 0 0 1 11.97 3154 101 + 3155 2 39.279000 -6.545000 -3.045000 101 Y B 2 "TYR " " CD1" 6 0 0 1 12.15 3155 101 + 3156 2 41.500000 -7.152000 -2.370000 101 Y B 2 "TYR " " CD2" 6 0 0 1 11.69 3156 101 + 3157 2 38.829000 -7.807000 -2.642000 101 Y B 2 "TYR " " CE1" 6 0 0 1 12.7 3157 101 + 3158 2 41.078000 -8.405000 -1.977000 101 Y B 2 "TYR " " CE2" 6 0 0 1 10.72 3158 101 + 3159 2 39.734000 -8.711000 -2.132000 101 Y B 2 "TYR " " CZ " 6 0 0 1 14.73 3159 101 + 3160 16 39.288000 -9.962000 -1.788000 101 Y B 2 "TYR " " OH " 8 0 0 1 15.75 3160 101 + 3161 43 41.899000 -6.992000 -5.776000 101 Y B 2 "TYR " " H " 1 0 0 1 9.35 3161 101 + 3162 41 40.442000 -5.358000 -5.478000 101 Y B 2 "TYR " " HA " 1 0 0 1 10.99 3162 101 + 3163 41 40.433000 -4.123000 -3.306000 101 Y B 2 "TYR " " HB3" 1 0 0 1 12.47 3163 101 + 3164 41 42.096000 -4.664000 -2.989000 101 Y B 2 "TYR " " HB2" 1 0 0 1 12.47 3164 101 + 3165 41 38.591000 -5.824000 -3.461000 101 Y B 2 "TYR " " HD1" 1 0 0 1 12.15 3165 101 + 3166 41 42.544000 -6.903000 -2.250000 101 Y B 2 "TYR " " HD2" 1 0 0 1 11.69 3166 101 + 3167 41 37.783000 -8.062000 -2.733000 101 Y B 2 "TYR " " HE1" 1 0 0 1 12.7 3167 101 + 3168 41 41.786000 -9.109000 -1.565000 101 Y B 2 "TYR " " HE2" 1 0 0 1 10.72 3168 101 + 3169 42 38.344000 -10.022000 -1.951000 101 Y B 2 "TYR " " HH " 1 0 0 1 15.75 3169 101 + 3170 25 42.342000 -3.854000 -6.923000 102 R B 2 "ARG " " N " 7 0 2 1 11.06 3170 102 + 3171 3 42.533000 -2.714000 -7.815000 102 R B 2 "ARG " " CA " 6 0 2 1 14.2 3171 102 + 3172 2 42.523000 -3.258000 -9.243000 102 R B 2 "ARG " " C " 6 0 2 1 13.07 3172 102 + 3173 15 42.897000 -4.403000 -9.502000 102 R B 2 "ARG " " O " 8 0 2 1 15.89 3173 102 + 3174 3 43.864000 -1.953000 -7.572000 102 R B 2 "ARG " " CB " 6 0 2 1 11.86 3174 102 + 3175 3 45.206000 -2.684000 -7.664000 102 R B 2 "ARG " " CG " 6 0 2 1 12.63 3175 102 + 3176 3 45.592000 -3.273000 -6.327000 102 R B 2 "ARG " " CD " 6 0 2 1 15.12 3176 102 + 3177 25 46.975000 -3.706000 -6.406000 102 R B 2 "ARG " " NE " 7 0 2 1 15.4 3177 102 + 3178 2 47.614000 -4.327000 -5.430000 102 R B 2 "ARG " " CZ " 6 0 2 1 18.53 3178 102 + 3179 25 46.991000 -4.657000 -4.290000 102 R B 2 "ARG " " NH1" 7 0 2 1 19.28 3179 102 + 3180 31 48.901000 -4.633000 -5.628000 102 R B 2 "ARG " " NH2" 7 1 2 1 18.42 3180 102 + 3181 43 42.641000 -4.755000 -7.268000 102 R B 2 "ARG " " H " 1 0 2 1 11.06 3181 102 + 3182 41 41.700000 -2.022000 -7.692000 102 R B 2 "ARG " " HA " 1 0 2 1 14.2 3182 102 + 3183 41 43.807000 -1.439000 -6.612000 102 R B 2 "ARG " " HB3" 1 0 2 1 11.86 3183 102 + 3184 41 43.894000 -1.078000 -8.221000 102 R B 2 "ARG " " HB2" 1 0 2 1 11.86 3184 102 + 3185 41 45.978000 -1.986000 -7.990000 102 R B 2 "ARG " " HG3" 1 0 2 1 12.63 3185 102 + 3186 41 45.135000 -3.481000 -8.405000 102 R B 2 "ARG " " HG2" 1 0 2 1 12.63 3186 102 + 3187 41 44.955000 -4.131000 -6.111000 102 R B 2 "ARG " " HD3" 1 0 2 1 15.12 3187 102 + 3188 41 45.494000 -2.512000 -5.553000 102 R B 2 "ARG " " HD2" 1 0 2 1 15.12 3188 102 + 3189 43 47.451000 -3.506000 -7.274000 102 R B 2 "ARG " " HE " 1 0 2 1 15.4 3189 102 + 3190 43 47.498000 -5.131000 -3.557000 102 R B 2 "ARG " "HH12" 1 0 2 1 19.28 3190 102 + 3191 43 46.015000 -4.431000 -4.164000 102 R B 2 "ARG " "HH11" 1 0 2 1 19.28 3191 102 + 3192 44 49.424000 -5.108000 -4.906000 102 R B 2 "ARG " "HH22" 1 0 2 1 18.42 3192 102 + 3193 44 49.350000 -4.389000 -6.499000 102 R B 2 "ARG " "HH21" 1 0 2 1 18.42 3193 102 + 3194 25 42.057000 -2.449000 -10.194000 103 L B 2 "LEU " " N " 7 0 2 1 14.39 3194 103 + 3195 3 41.969000 -2.842000 -11.594000 103 L B 2 "LEU " " CA " 6 0 2 1 12.07 3195 103 + 3196 2 43.193000 -2.218000 -12.251000 103 L B 2 "LEU " " C " 6 0 2 1 11.41 3196 103 + 3197 15 43.254000 -1.025000 -12.571000 103 L B 2 "LEU " " O " 8 0 2 1 12.76 3197 103 + 3198 3 40.650000 -2.320000 -12.190000 103 L B 2 "LEU " " CB " 6 0 2 1 11.74 3198 103 + 3199 3 39.338000 -2.733000 -11.475000 103 L B 2 "LEU " " CG " 6 0 2 1 14.47 3199 103 + 3200 3 38.179000 -2.301000 -12.345000 103 L B 2 "LEU " " CD1" 6 0 2 1 15.31 3200 103 + 3201 3 39.262000 -4.226000 -11.233000 103 L B 2 "LEU " " CD2" 6 0 2 1 11.26 3201 103 + 3202 43 41.745000 -1.518000 -9.957000 103 L B 2 "LEU " " H " 1 0 2 1 14.39 3202 103 + 3203 41 42.013000 -3.928000 -11.680000 103 L B 2 "LEU " " HA " 1 0 2 1 12.07 3203 103 + 3204 41 40.592000 -2.609000 -13.240000 103 L B 2 "LEU " " HB3" 1 0 2 1 11.74 3204 103 + 3205 41 40.693000 -1.233000 -12.259000 103 L B 2 "LEU " " HB2" 1 0 2 1 11.74 3205 103 + 3206 41 39.277000 -2.214000 -10.518000 103 L B 2 "LEU " " HG " 1 0 2 1 14.47 3206 103 + 3207 41 37.241000 -2.579000 -11.866000 103 L B 2 "LEU " "HD11" 1 0 2 1 15.31 3207 103 + 3208 41 38.210000 -1.220000 -12.482000 103 L B 2 "LEU " "HD12" 1 0 2 1 15.31 3208 103 + 3209 41 38.250000 -2.792000 -13.316000 103 L B 2 "LEU " "HD13" 1 0 2 1 15.31 3209 103 + 3210 41 38.325000 -4.466000 -10.730000 103 L B 2 "LEU " "HD21" 1 0 2 1 11.26 3210 103 + 3211 41 39.307000 -4.752000 -12.187000 103 L B 2 "LEU " "HD22" 1 0 2 1 11.26 3211 103 + 3212 41 40.099000 -4.536000 -10.608000 103 L B 2 "LEU " "HD23" 1 0 2 1 11.26 3212 103 + 3213 25 44.188000 -3.085000 -12.387000 104 D B 2 "ASP " " N " 7 0 2 1 12.63 3213 104 + 3214 3 45.471000 -2.589000 -12.824000 104 D B 2 "ASP " " CA " 6 0 2 1 14.17 3214 104 + 3215 2 45.671000 -2.579000 -14.327000 104 D B 2 "ASP " " C " 6 0 2 1 15.27 3215 104 + 3216 15 46.493000 -1.810000 -14.800000 104 D B 2 "ASP " " O " 8 0 2 1 17.63 3216 104 + 3217 3 46.561000 -3.401000 -12.163000 104 D B 2 "ASP " " CB " 6 0 2 1 14.29 3217 104 + 3218 2 46.590000 -4.921000 -12.341000 104 D B 2 "ASP " " CG " 6 0 2 1 13.69 3218 104 + 3219 15 45.727000 -5.535000 -12.969000 104 D B 2 "ASP " " OD1" 8 0 2 1 14.21 3219 104 + 3220 18 47.524000 -5.502000 -11.822000 104 D B 2 "ASP " " OD2" 8 -1 2 1 16.01 3220 104 + 3221 43 44.036000 -4.063000 -12.186000 104 D B 2 "ASP " " H " 1 0 2 1 12.63 3221 104 + 3222 41 45.565000 -1.562000 -12.472000 104 D B 2 "ASP " " HA " 1 0 2 1 14.17 3222 104 + 3223 41 46.580000 -3.168000 -11.098000 104 D B 2 "ASP " " HB3" 1 0 2 1 14.29 3223 104 + 3224 41 47.530000 -2.992000 -12.449000 104 D B 2 "ASP " " HB2" 1 0 2 1 14.29 3224 104 + 3225 25 44.976000 -3.359000 -15.126000 105 Y B 2 "TYR " " N " 7 0 2 1 13.57 3225 105 + 3226 3 45.170000 -3.377000 -16.560000 105 Y B 2 "TYR " " CA " 6 0 2 1 15.91 3226 105 + 3227 2 43.785000 -3.405000 -17.149000 105 Y B 2 "TYR " " C " 6 0 2 1 15.99 3227 105 + 3228 15 42.941000 -4.190000 -16.704000 105 Y B 2 "TYR " " O " 8 0 2 1 16.72 3228 105 + 3229 3 45.933000 -4.623000 -17.040000 105 Y B 2 "TYR " " CB " 6 0 2 1 17.32 3229 105 + 3230 2 47.403000 -4.504000 -16.739000 105 Y B 2 "TYR " " CG " 6 0 2 1 21 3230 105 + 3231 2 48.232000 -3.738000 -17.536000 105 Y B 2 "TYR " " CD1" 6 0 2 1 21.58 3231 105 + 3232 2 47.899000 -5.171000 -15.633000 105 Y B 2 "TYR " " CD2" 6 0 2 1 22.58 3232 105 + 3233 2 49.571000 -3.637000 -17.207000 105 Y B 2 "TYR " " CE1" 6 0 2 1 25.94 3233 105 + 3234 2 49.231000 -5.076000 -15.295000 105 Y B 2 "TYR " " CE2" 6 0 2 1 25.81 3234 105 + 3235 2 50.061000 -4.309000 -16.090000 105 Y B 2 "TYR " " CZ " 6 0 2 1 29.33 3235 105 + 3236 16 51.404000 -4.234000 -15.739000 105 Y B 2 "TYR " " OH " 8 0 2 1 31.75 3236 105 + 3237 43 44.275000 -3.977000 -14.744000 105 Y B 2 "TYR " " H " 1 0 2 1 13.57 3237 105 + 3238 41 45.692000 -2.474000 -16.877000 105 Y B 2 "TYR " " HA " 1 0 2 1 15.91 3238 105 + 3239 41 45.791000 -4.744000 -18.114000 105 Y B 2 "TYR " " HB3" 1 0 2 1 17.32 3239 105 + 3240 41 45.532000 -5.507000 -16.545000 105 Y B 2 "TYR " " HB2" 1 0 2 1 17.32 3240 105 + 3241 41 47.831000 -3.230000 -18.401000 105 Y B 2 "TYR " " HD1" 1 0 2 1 21.58 3241 105 + 3242 41 47.240000 -5.773000 -15.025000 105 Y B 2 "TYR " " HD2" 1 0 2 1 22.58 3242 105 + 3243 41 50.233000 -3.039000 -17.815000 105 Y B 2 "TYR " " HE1" 1 0 2 1 25.94 3243 105 + 3244 41 49.606000 -5.595000 -14.425000 105 Y B 2 "TYR " " HE2" 1 0 2 1 25.81 3244 105 + 3245 42 51.869000 -3.677000 -16.368000 105 Y B 2 "TYR " " HH " 1 0 2 1 31.75 3245 105 + 3246 25 43.561000 -2.582000 -18.163000 106 W B 2 "TRP " " N " 7 0 2 1 15.76 3246 106 + 3247 3 42.285000 -2.382000 -18.799000 106 W B 2 "TRP " " CA " 6 0 2 1 13.64 3247 106 + 3248 2 42.423000 -2.617000 -20.283000 106 W B 2 "TRP " " C " 6 0 2 1 14.52 3248 106 + 3249 15 43.464000 -2.344000 -20.901000 106 W B 2 "TRP " " O " 8 0 2 1 15.79 3249 106 + 3250 3 41.785000 -0.947000 -18.600000 106 W B 2 "TRP " " CB " 6 0 2 1 14.35 3250 106 + 3251 2 41.375000 -0.536000 -17.195000 106 W B 2 "TRP " " CG " 6 0 2 1 14.89 3251 106 + 3252 2 42.270000 -0.422000 -16.158000 106 W B 2 "TRP " " CD1" 6 0 2 1 14.87 3252 106 + 3253 2 40.096000 -0.189000 -16.823000 106 W B 2 "TRP " " CD2" 6 0 2 1 16.49 3253 106 + 3254 25 41.567000 -0.006000 -15.138000 106 W B 2 "TRP " " NE1" 7 0 2 1 15.77 3254 106 + 3255 2 40.274000 0.150000 -15.483000 106 W B 2 "TRP " " CE2" 6 0 2 1 16.35 3255 106 + 3256 2 38.841000 -0.112000 -17.402000 106 W B 2 "TRP " " CE3" 6 0 2 1 15.73 3256 106 + 3257 2 39.199000 0.565000 -14.708000 106 W B 2 "TRP " " CZ2" 6 0 2 1 17.44 3257 106 + 3258 2 37.774000 0.306000 -16.627000 106 W B 2 "TRP " " CZ3" 6 0 2 1 18.35 3258 106 + 3259 2 37.951000 0.639000 -15.295000 106 W B 2 "TRP " " CH2" 6 0 2 1 15.08 3259 106 + 3260 43 44.319000 -2.036000 -18.547000 106 W B 2 "TRP " " H " 1 0 2 1 15.76 3260 106 + 3261 41 41.558000 -3.081000 -18.386000 106 W B 2 "TRP " " HA " 1 0 2 1 13.64 3261 106 + 3262 41 40.957000 -0.758000 -19.284000 106 W B 2 "TRP " " HB3" 1 0 2 1 14.35 3262 106 + 3263 41 42.537000 -0.251000 -18.971000 106 W B 2 "TRP " " HB2" 1 0 2 1 14.35 3263 106 + 3264 41 43.311000 -0.665000 -16.314000 106 W B 2 "TRP " " HD1" 1 0 2 1 14.87 3264 106 + 3265 43 42.015000 0.152000 -14.247000 106 W B 2 "TRP " " HE1" 1 0 2 1 15.77 3265 106 + 3266 41 38.708000 -0.376000 -18.441000 106 W B 2 "TRP " " HE3" 1 0 2 1 15.73 3266 106 + 3267 41 39.349000 0.822000 -13.670000 106 W B 2 "TRP " " HZ2" 1 0 2 1 17.44 3267 106 + 3268 41 36.787000 0.376000 -17.060000 106 W B 2 "TRP " " HZ3" 1 0 2 1 18.35 3268 106 + 3269 41 37.099000 0.960000 -14.714000 106 W B 2 "TRP " " HH2" 1 0 2 1 15.08 3269 106 + 3270 25 41.368000 -3.132000 -20.882000 107 G B 2 "GLY " " N " 7 0 0 1 14.74 3270 107 + 3271 3 41.345000 -3.259000 -22.322000 107 G B 2 "GLY " " CA " 6 0 0 1 17.39 3271 107 + 3272 2 41.007000 -1.899000 -22.940000 107 G B 2 "GLY " " C " 6 0 0 1 19.56 3272 107 + 3273 15 40.738000 -0.927000 -22.216000 107 G B 2 "GLY " " O " 8 0 0 1 15.81 3273 107 + 3274 43 40.576000 -3.438000 -20.335000 107 G B 2 "GLY " " H " 1 0 0 1 14.74 3274 107 + 3275 41 40.587000 -3.987000 -22.610000 107 G B 2 "GLY " " HA3" 1 0 0 1 17.39 3275 107 + 3276 41 42.324000 -3.584000 -22.673000 107 G B 2 "GLY " " HA2" 1 0 0 1 17.39 3276 107 + 3277 25 40.965000 -1.810000 -24.278000 108 Q B 2 "GLN " " N " 7 0 0 1 20.72 3277 108 + 3278 3 40.604000 -0.570000 -24.965000 108 Q B 2 "GLN " " CA " 6 0 0 1 23.22 3278 108 + 3279 2 39.116000 -0.269000 -25.001000 108 Q B 2 "GLN " " C " 6 0 0 1 19.4 3279 108 + 3280 15 38.715000 0.883000 -25.134000 108 Q B 2 "GLN " " O " 8 0 0 1 21.41 3280 108 + 3281 3 41.147000 -0.606000 -26.386000 108 Q B 2 "GLN " " CB " 6 0 0 1 30.06 3281 108 + 3282 3 42.581000 -0.117000 -26.343000 108 Q B 2 "GLN " " CG " 6 0 0 1 42.64 3282 108 + 3283 2 43.180000 0.265000 -27.696000 108 Q B 2 "GLN " " CD " 6 0 0 1 51.02 3283 108 + 3284 15 42.492000 0.548000 -28.688000 108 Q B 2 "GLN " " OE1" 8 0 0 1 54.44 3284 108 + 3285 25 44.503000 0.302000 -27.758000 108 Q B 2 "GLN " " NE2" 7 0 0 1 53.76 3285 108 + 3286 43 41.187000 -2.616000 -24.845000 108 Q B 2 "GLN " " H " 1 0 0 1 20.72 3286 108 + 3287 41 41.095000 0.252000 -24.444000 108 Q B 2 "GLN " " HA " 1 0 0 1 23.22 3287 108 + 3288 41 40.556000 0.058000 -27.017000 108 Q B 2 "GLN " " HB3" 1 0 0 1 30.06 3288 108 + 3289 41 41.124000 -1.631000 -26.757000 108 Q B 2 "GLN " " HB2" 1 0 0 1 30.06 3289 108 + 3290 41 43.207000 -0.876000 -25.873000 108 Q B 2 "GLN " " HG3" 1 0 0 1 42.64 3290 108 + 3291 41 42.652000 0.733000 -25.665000 108 Q B 2 "GLN " " HG2" 1 0 0 1 42.64 3291 108 + 3292 43 44.961000 0.548000 -28.624000 108 Q B 2 "GLN " "HE22" 1 0 0 1 53.76 3292 108 + 3293 43 45.053000 0.085000 -26.939000 108 Q B 2 "GLN " "HE21" 1 0 0 1 53.76 3293 108 + 3294 25 38.299000 -1.293000 -24.815000 109 G B 2 "GLY " " N " 7 0 0 1 16.8 3294 109 + 3295 3 36.858000 -1.184000 -24.846000 109 G B 2 "GLY " " CA " 6 0 0 1 17.52 3295 109 + 3296 2 36.317000 -1.502000 -26.227000 109 G B 2 "GLY " " C " 6 0 0 1 20.43 3296 109 + 3297 15 37.093000 -1.523000 -27.190000 109 G B 2 "GLY " " O " 8 0 0 1 21.87 3297 109 + 3298 43 38.675000 -2.214000 -24.640000 109 G B 2 "GLY " " H " 1 0 0 1 16.8 3298 109 + 3299 41 36.564000 -0.172000 -24.565000 109 G B 2 "GLY " " HA3" 1 0 0 1 17.52 3299 109 + 3300 41 36.426000 -1.873000 -24.120000 109 G B 2 "GLY " " HA2" 1 0 0 1 17.52 3300 109 + 3301 25 35.032000 -1.851000 -26.310000 110 T B 2 "THR " " N " 7 0 2 1 22.05 3301 110 + 3302 3 34.316000 -2.042000 -27.559000 110 T B 2 "THR " " CA " 6 0 2 1 22.66 3302 110 + 3303 2 33.118000 -1.119000 -27.418000 110 T B 2 "THR " " C " 6 0 2 1 21.51 3303 110 + 3304 15 32.537000 -1.071000 -26.328000 110 T B 2 "THR " " O " 8 0 2 1 22.37 3304 110 + 3305 3 33.619000 -3.407000 -27.817000 110 T B 2 "THR " " CB " 6 0 2 1 25.15 3305 110 + 3306 16 34.001000 -4.417000 -26.892000 110 T B 2 "THR " " OG1" 8 0 2 1 29.2 3306 110 + 3307 3 33.898000 -3.762000 -29.248000 110 T B 2 "THR " " CG2" 6 0 2 1 24.75 3307 110 + 3308 43 34.494000 -2.000000 -25.468000 110 T B 2 "THR " " H " 1 0 2 1 22.05 3308 110 + 3309 41 34.933000 -1.753000 -28.410000 110 T B 2 "THR " " HA " 1 0 2 1 22.66 3309 110 + 3310 41 32.544000 -3.255000 -27.717000 110 T B 2 "THR " " HB " 1 0 2 1 25.15 3310 110 + 3311 42 33.772000 -4.139000 -26.002000 110 T B 2 "THR " " HG1" 1 0 2 1 29.2 3311 110 + 3312 41 33.429000 -4.717000 -29.484000 110 T B 2 "THR " "HG21" 1 0 2 1 24.75 3312 110 + 3313 41 33.493000 -2.988000 -29.900000 110 T B 2 "THR " "HG22" 1 0 2 1 24.75 3313 110 + 3314 41 34.975000 -3.839000 -29.401000 110 T B 2 "THR " "HG23" 1 0 2 1 24.75 3314 110 + 3315 25 32.705000 -0.431000 -28.465000 111 T B 2 "THR " " N " 7 0 2 1 23.23 3315 111 + 3316 3 31.507000 0.386000 -28.470000 111 T B 2 "THR " " CA " 6 0 2 1 24.4 3316 111 + 3317 2 30.289000 -0.461000 -28.839000 111 T B 2 "THR " " C " 6 0 2 1 25.25 3317 111 + 3318 15 30.350000 -1.304000 -29.746000 111 T B 2 "THR " " O " 8 0 2 1 23.57 3318 111 + 3319 3 31.697000 1.491000 -29.474000 111 T B 2 "THR " " CB " 6 0 2 1 26.05 3319 111 + 3320 16 32.899000 2.112000 -29.078000 111 T B 2 "THR " " OG1" 8 0 2 1 29.18 3320 111 + 3321 3 30.598000 2.526000 -29.508000 111 T B 2 "THR " " CG2" 6 0 2 1 30.22 3321 111 + 3322 43 33.233000 -0.456000 -29.326000 111 T B 2 "THR " " H " 1 0 2 1 23.23 3322 111 + 3323 41 31.360000 0.818000 -27.480000 111 T B 2 "THR " " HA " 1 0 2 1 24.4 3323 111 + 3324 41 31.821000 1.061000 -30.468000 111 T B 2 "THR " " HB " 1 0 2 1 26.05 3324 111 + 3325 42 33.096000 2.838000 -29.674000 111 T B 2 "THR " " HG1" 1 0 2 1 29.18 3325 111 + 3326 41 30.829000 3.277000 -30.263000 111 T B 2 "THR " "HG21" 1 0 2 1 30.22 3326 111 + 3327 41 29.652000 2.044000 -29.754000 111 T B 2 "THR " "HG22" 1 0 2 1 30.22 3327 111 + 3328 41 30.519000 3.005000 -28.532000 111 T B 2 "THR " "HG23" 1 0 2 1 30.22 3328 111 + 3329 25 29.187000 -0.348000 -28.107000 112 L B 2 "LEU " " N " 7 0 2 1 26.79 3329 112 + 3330 3 27.962000 -1.032000 -28.483000 112 L B 2 "LEU " " CA " 6 0 2 1 27.4 3330 112 + 3331 2 26.846000 -0.006000 -28.608000 112 L B 2 "LEU " " C " 6 0 2 1 27.76 3331 112 + 3332 15 26.730000 0.872000 -27.739000 112 L B 2 "LEU " " O " 8 0 2 1 27.06 3332 112 + 3333 3 27.558000 -2.067000 -27.432000 112 L B 2 "LEU " " CB " 6 0 2 1 29.76 3333 112 + 3334 3 26.304000 -2.839000 -27.818000 112 L B 2 "LEU " " CG " 6 0 2 1 32.19 3334 112 + 3335 3 26.656000 -3.936000 -28.798000 112 L B 2 "LEU " " CD1" 6 0 2 1 32.24 3335 112 + 3336 3 25.665000 -3.397000 -26.587000 112 L B 2 "LEU " " CD2" 6 0 2 1 32.1 3336 112 + 3337 43 29.191000 0.221000 -27.273000 112 L B 2 "LEU " " H " 1 0 2 1 26.79 3337 112 + 3338 41 28.105000 -1.529000 -29.443000 112 L B 2 "LEU " " HA " 1 0 2 1 27.4 3338 112 + 3339 41 27.397000 -1.569000 -26.476000 112 L B 2 "LEU " " HB3" 1 0 2 1 29.76 3339 112 + 3340 41 28.380000 -2.766000 -27.277000 112 L B 2 "LEU " " HB2" 1 0 2 1 29.76 3340 112 + 3341 41 25.604000 -2.154000 -28.296000 112 L B 2 "LEU " " HG " 1 0 2 1 32.19 3341 112 + 3342 41 25.754000 -4.484000 -29.070000 112 L B 2 "LEU " "HD11" 1 0 2 1 32.24 3342 112 + 3343 41 27.097000 -3.497000 -29.693000 112 L B 2 "LEU " "HD12" 1 0 2 1 32.24 3343 112 + 3344 41 27.371000 -4.619000 -28.339000 112 L B 2 "LEU " "HD13" 1 0 2 1 32.24 3344 112 + 3345 41 24.767000 -3.950000 -26.862000 112 L B 2 "LEU " "HD21" 1 0 2 1 32.1 3345 112 + 3346 41 26.364000 -4.066000 -26.086000 112 L B 2 "LEU " "HD22" 1 0 2 1 32.1 3346 112 + 3347 41 25.397000 -2.582000 -25.915000 112 L B 2 "LEU " "HD23" 1 0 2 1 32.1 3347 112 + 3348 25 26.097000 -0.017000 -29.705000 113 T B 2 "THR " " N " 7 0 2 1 28.22 3348 113 + 3349 3 24.921000 0.826000 -29.824000 113 T B 2 "THR " " CA " 6 0 2 1 30.65 3349 113 + 3350 2 23.725000 -0.127000 -29.830000 113 T B 2 "THR " " C " 6 0 2 1 32.77 3350 113 + 3351 15 23.756000 -1.195000 -30.464000 113 T B 2 "THR " " O " 8 0 2 1 29.59 3351 113 + 3352 3 24.984000 1.682000 -31.129000 113 T B 2 "THR " " CB " 6 0 2 1 28.51 3352 113 + 3353 16 26.115000 2.543000 -30.987000 113 T B 2 "THR " " OG1" 8 0 2 1 29.52 3353 113 + 3354 3 23.766000 2.580000 -31.351000 113 T B 2 "THR " " CG2" 6 0 2 1 28.23 3354 113 + 3355 43 26.342000 -0.620000 -30.477000 113 T B 2 "THR " " H " 1 0 2 1 28.22 3355 113 + 3356 41 24.857000 1.486000 -28.959000 113 T B 2 "THR " " HA " 1 0 2 1 30.65 3356 113 + 3357 41 25.123000 1.030000 -31.991000 113 T B 2 "THR " " HB " 1 0 2 1 28.51 3357 113 + 3358 42 26.909000 2.014000 -30.883000 113 T B 2 "THR " " HG1" 1 0 2 1 29.52 3358 113 + 3359 41 23.891000 3.139000 -32.278000 113 T B 2 "THR " "HG21" 1 0 2 1 28.23 3359 113 + 3360 41 22.868000 1.966000 -31.416000 113 T B 2 "THR " "HG22" 1 0 2 1 28.23 3360 113 + 3361 41 23.670000 3.276000 -30.518000 113 T B 2 "THR " "HG23" 1 0 2 1 28.23 3361 113 + 3362 25 22.724000 0.195000 -29.001000 114 V B 2 "VAL " " N " 7 0 2 1 36.73 3362 114 + 3363 3 21.485000 -0.560000 -28.980000 114 V B 2 "VAL " " CA " 6 0 2 1 40.72 3363 114 + 3364 2 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"VAL " "HG21" 1 0 2 1 35.36 3375 114 + 3376 41 22.279000 -2.350000 -27.048000 114 V B 2 "VAL " "HG22" 1 0 2 1 35.36 3376 114 + 3377 41 22.901000 -0.736000 -26.628000 114 V B 2 "VAL " "HG23" 1 0 2 1 35.36 3377 114 + 3378 25 19.980000 -0.354000 -30.874000 115 S B 2 "SER " " N " 7 0 0 1 52.75 3378 115 + 3379 3 19.025000 0.230000 -31.808000 115 S B 2 "SER " " CA " 6 0 0 1 59.31 3379 115 + 3380 2 17.537000 0.038000 -31.446000 115 S B 2 "SER " " C " 6 0 0 1 61.91 3380 115 + 3381 15 17.191000 -0.073000 -30.256000 115 S B 2 "SER " " O " 8 0 0 1 63.92 3381 115 + 3382 3 19.381000 -0.386000 -33.169000 115 S B 2 "SER " " CB " 6 0 0 1 59.64 3382 115 + 3383 16 19.545000 -1.807000 -33.212000 115 S B 2 "SER " " OG " 8 0 0 1 59.36 3383 115 + 3384 43 20.256000 -1.300000 -31.093000 115 S B 2 "SER " " H " 1 0 0 1 52.75 3384 115 + 3385 41 19.221000 1.301000 -31.863000 115 S B 2 "SER " " HA " 1 0 0 1 59.31 3385 115 + 3386 41 20.283000 0.091000 -33.554000 115 S B 2 "SER " " HB3" 1 0 0 1 59.64 3386 115 + 3387 41 18.633000 -0.089000 -33.904000 115 S B 2 "SER " " HB2" 1 0 0 1 59.64 3387 115 + 3388 42 18.714000 -2.218000 -33.462000 115 S B 2 "SER " " HG " 1 0 0 1 59.36 3388 115 + 3389 25 16.655000 0.080000 -32.460000 116 S B 2 "SER " " N " 7 0 0 1 62.96 3389 116 + 3390 3 15.260000 -0.278000 -32.304000 116 S B 2 "SER " " CA " 6 0 0 1 65.28 3390 116 + 3391 2 15.167000 -1.792000 -32.522000 116 S B 2 "SER " " C " 6 0 0 1 66.96 3391 116 + 3392 15 14.326000 -2.422000 -31.880000 116 S B 2 "SER " " O " 8 0 0 1 70.24 3392 116 + 3393 3 14.387000 0.444000 -33.333000 116 S B 2 "SER " " CB " 6 0 0 1 65.65 3393 116 + 3394 16 14.328000 1.850000 -33.106000 116 S B 2 "SER " " OG " 8 0 0 1 65.7 3394 116 + 3395 18 15.971000 -2.353000 -33.275000 116 S B 2 "SER " " OXT" 8 -1 0 1 66.46 3395 116 + 3396 43 16.956000 0.371000 -33.379000 116 S B 2 "SER " " H " 1 0 0 1 62.96 3396 116 + 3397 41 14.926000 -0.029000 -31.297000 116 S B 2 "SER " " HA " 1 0 0 1 65.28 3397 116 + 3398 41 13.379000 0.030000 -33.307000 116 S B 2 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3418 3368 3376 1 + 3419 3368 3377 1 + 3420 3378 3379 1 + 3421 3378 3384 1 + 3422 3379 3380 1 + 3423 3379 3382 1 + 3424 3379 3385 1 + 3425 3380 3381 2 + 3426 3380 3389 1 + 3427 3382 3383 1 + 3428 3382 3386 1 + 3429 3382 3387 1 + 3430 3383 3388 1 + 3431 3389 3390 1 + 3432 3389 3396 1 + 3433 3390 3391 1 + 3434 3390 3393 1 + 3435 3390 3397 1 + 3436 3391 3392 2 + 3437 3391 3395 1 + 3438 3393 3394 1 + 3439 3393 3398 1 + 3440 3393 3399 1 + 3441 3394 3400 1 + 3442 317 1312 1 + 3443 1933 3059 1 + ::: + } + m_PDB_SEQRES[2] { + s_pdb_chain_id + s_pdb_SEQRES + ::: + 1 B "GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ALA PRO SER GLN SER LEU SER ILE THR CYS THR VAL SER GLY PHE SER LEU THR GLY TYR GLY VAL ASN TRP VAL ARG GLN PRO PRO GLY LYS GLY LEU GLU TRP LEU GLY MET ILE TRP GLY ASP GLY ASN THR ASP TYR ASN SER ALA LEU LYS SER ARG LEU SER ILE SER LYS ASP ASN SER LYS SER GLN VAL PHE LEU LYS MET ASN SER LEU HIS THR ASP ASP THR ALA ARG TYR TYR CYS ALA ARG GLU ARG ASP TYR ARG LEU ASP TYR TRP GLY GLN GLY THR THR LEU THR VAL SER SER " + 2 A "ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU SER ALA SER VAL GLY GLU THR VAL THR ILE THR CYS ARG ALA SER GLY ASN ILE HIS ASN TYR LEU ALA TRP TYR GLN GLN LYS GLN GLY LYS SER PRO GLN LEU LEU VAL TYR TYR THR THR THR LEU ALA ASP GLY VAL PRO SER ARG PHE SER GLY SER GLY SER GLY THR GLN TYR SER LEU LYS ILE ASN SER LEU GLN PRO GLU ASP PHE GLY SER TYR TYR CYS GLN HIS PHE TRP SER THR PRO ARG THR PHE GLY GLY GLY THR LYS LEU GLU ILE LYS " + ::: + } +} + diff --git a/test/PDB/BondsRestoring/1vfb_ab_b.pdb b/test/PDB/BondsRestoring/1vfb_ab_b.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/1vfb_ab_b.pdb @@ -0,0 +1,3421 @@ +SEQRES 1 B 116 GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ALA +SEQRES 2 B 116 PRO SER GLN SER LEU SER ILE THR CYS THR VAL SER GLY +SEQRES 3 B 116 PHE SER LEU THR GLY TYR GLY VAL ASN TRP VAL ARG GLN +SEQRES 4 B 116 PRO PRO GLY LYS GLY LEU GLU TRP LEU GLY MET ILE TRP +SEQRES 5 B 116 GLY ASP GLY ASN THR ASP TYR ASN SER ALA LEU LYS SER +SEQRES 6 B 116 ARG LEU SER ILE SER LYS ASP ASN SER LYS SER GLN VAL +SEQRES 7 B 116 PHE LEU LYS MET ASN SER LEU HIS THR ASP ASP THR ALA +SEQRES 8 B 116 ARG TYR TYR CYS ALA ARG GLU ARG ASP TYR ARG LEU ASP +SEQRES 9 B 116 TYR TRP GLY GLN GLY THR THR LEU THR VAL SER SER +SEQRES 1 A 107 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU SER ALA +SEQRES 2 A 107 SER VAL GLY GLU THR VAL THR ILE THR CYS ARG ALA SER +SEQRES 3 A 107 GLY ASN ILE HIS ASN TYR LEU ALA TRP TYR GLN GLN LYS +SEQRES 4 A 107 GLN GLY LYS SER PRO GLN LEU LEU VAL TYR TYR THR THR +SEQRES 5 A 107 THR LEU ALA ASP GLY VAL PRO SER ARG PHE SER GLY SER +SEQRES 6 A 107 GLY SER GLY THR GLN TYR SER LEU LYS ILE ASN SER LEU +SEQRES 7 A 107 GLN PRO GLU ASP PHE GLY SER TYR TYR CYS GLN HIS PHE +SEQRES 8 A 107 TRP SER THR PRO ARG THR PHE GLY GLY GLY THR LYS LEU +SEQRES 9 A 107 GLU ILE LYS +ATOM 1 N ASP A 1 23.963 -0.947 -1.031 1.00 37.52 N +ATOM 2 CA ASP A 1 25.119 -0.797 -1.881 1.00 32.56 C +ATOM 3 C ASP A 1 25.715 0.493 -1.356 1.00 29.72 C +ATOM 4 O ASP A 1 24.964 1.396 -0.971 1.00 28.87 O +ATOM 5 CB ASP A 1 24.721 -0.606 -3.341 1.00 34.71 C +ATOM 6 CG ASP A 1 24.061 -1.777 -4.067 1.00 35.11 C +ATOM 7 OD1 ASP A 1 23.841 -2.849 -3.496 1.00 35.99 O +ATOM 8 OD2 ASP A 1 23.798 -1.612 -5.255 1.00 38.08 O +ATOM 9 H1 ASP A 1 23.466 -1.789 -1.283 1.00 37.52 H +ATOM 10 H2 ASP A 1 24.259 -1.007 -0.067 1.00 37.52 H +ATOM 11 H3 ASP A 1 23.354 -0.150 -1.147 1.00 37.52 H +ATOM 12 HA ASP A 1 25.810 -1.631 -1.763 1.00 32.56 H +ATOM 13 HB3 ASP A 1 25.592 -0.280 -3.909 1.00 34.71 H +ATOM 14 HB2 ASP A 1 24.081 0.272 -3.424 1.00 34.71 H +ATOM 15 N ILE A 2 27.025 0.577 -1.277 1.00 26.56 N +ATOM 16 CA ILE A 2 27.669 1.808 -0.873 1.00 25.29 C +ATOM 17 C ILE A 2 27.740 2.665 -2.147 1.00 26.50 C +ATOM 18 O ILE A 2 28.123 2.164 -3.216 1.00 26.25 O +ATOM 19 CB ILE A 2 29.055 1.427 -0.269 1.00 23.37 C +ATOM 20 CG1 ILE A 2 28.773 0.662 1.033 1.00 21.20 C +ATOM 21 CG2 ILE A 2 29.938 2.651 -0.002 1.00 21.27 C +ATOM 22 CD1 ILE A 2 29.941 -0.070 1.710 1.00 19.49 C +ATOM 23 H ILE A 2 27.597 -0.225 -1.500 1.00 26.56 H +ATOM 24 HA ILE A 2 27.063 2.313 -0.120 1.00 25.29 H +ATOM 25 HB ILE A 2 29.572 0.764 -0.963 1.00 23.37 H +ATOM 26 HG13 ILE A 2 27.960 -0.044 0.863 1.00 21.20 H +ATOM 27 HG12 ILE A 2 28.311 1.339 1.752 1.00 21.20 H +ATOM 28 HG21 ILE A 2 30.891 2.328 0.418 1.00 21.27 H +ATOM 29 HG22 ILE A 2 30.115 3.183 -0.937 1.00 21.27 H +ATOM 30 HG23 ILE A 2 29.437 3.314 0.703 1.00 21.27 H +ATOM 31 HD11 ILE A 2 29.586 -0.562 2.616 1.00 19.49 H +ATOM 32 HD12 ILE A 2 30.347 -0.816 1.027 1.00 19.49 H +ATOM 33 HD13 ILE A 2 30.720 0.648 1.968 1.00 19.49 H +ATOM 34 N VAL A 3 27.341 3.933 -2.058 1.00 20.87 N +ATOM 35 CA VAL A 3 27.378 4.863 -3.168 1.00 18.69 C +ATOM 36 C VAL A 3 28.520 5.860 -2.883 1.00 16.41 C +ATOM 37 O VAL A 3 28.799 6.162 -1.711 1.00 14.99 O +ATOM 38 CB VAL A 3 25.960 5.497 -3.219 1.00 18.56 C +ATOM 39 CG1 VAL A 3 25.958 6.840 -3.959 1.00 21.26 C +ATOM 40 CG2 VAL A 3 25.033 4.512 -3.911 1.00 17.43 C +ATOM 41 H VAL A 3 26.989 4.291 -1.182 1.00 20.87 H +ATOM 42 HA VAL A 3 27.578 4.326 -4.095 1.00 18.69 H +ATOM 43 HB VAL A 3 25.608 5.656 -2.200 1.00 18.56 H +ATOM 44 HG11 VAL A 3 24.947 7.247 -3.971 1.00 21.26 H +ATOM 45 HG12 VAL A 3 26.624 7.537 -3.450 1.00 21.26 H +ATOM 46 HG13 VAL A 3 26.301 6.692 -4.983 1.00 21.26 H +ATOM 47 HG21 VAL A 3 24.028 4.932 -3.961 1.00 17.43 H +ATOM 48 HG22 VAL A 3 25.396 4.318 -4.920 1.00 17.43 H +ATOM 49 HG23 VAL A 3 25.009 3.579 -3.349 1.00 17.43 H +ATOM 50 N LEU A 4 29.210 6.380 -3.898 1.00 14.55 N +ATOM 51 CA LEU A 4 30.272 7.355 -3.716 1.00 14.24 C +ATOM 52 C LEU A 4 29.846 8.662 -4.347 1.00 12.62 C +ATOM 53 O LEU A 4 29.410 8.703 -5.500 1.00 15.43 O +ATOM 54 CB LEU A 4 31.579 6.852 -4.367 1.00 15.24 C +ATOM 55 CG LEU A 4 32.169 5.537 -3.756 1.00 18.25 C +ATOM 56 CD1 LEU A 4 33.058 4.825 -4.763 1.00 19.25 C +ATOM 57 CD2 LEU A 4 32.972 5.867 -2.513 1.00 19.25 C +ATOM 58 H LEU A 4 29.003 6.099 -4.846 1.00 14.55 H +ATOM 59 HA LEU A 4 30.439 7.509 -2.650 1.00 14.24 H +ATOM 60 HB3 LEU A 4 32.331 7.640 -4.321 1.00 15.24 H +ATOM 61 HB2 LEU A 4 31.418 6.712 -5.436 1.00 15.24 H +ATOM 62 HG LEU A 4 31.347 4.876 -3.481 1.00 18.25 H +ATOM 63 HD11 LEU A 4 33.457 3.914 -4.316 1.00 19.25 H +ATOM 64 HD12 LEU A 4 32.474 4.570 -5.647 1.00 19.25 H +ATOM 65 HD13 LEU A 4 33.881 5.480 -5.048 1.00 19.25 H +ATOM 66 HD21 LEU A 4 33.381 4.950 -2.090 1.00 19.25 H +ATOM 67 HD22 LEU A 4 33.787 6.541 -2.775 1.00 19.25 H +ATOM 68 HD23 LEU A 4 32.325 6.348 -1.779 1.00 19.25 H +ATOM 69 N THR A 5 29.953 9.725 -3.552 1.00 12.99 N +ATOM 70 CA THR A 5 29.605 11.071 -3.975 1.00 15.30 C +ATOM 71 C THR A 5 30.933 11.764 -4.252 1.00 14.54 C +ATOM 72 O THR A 5 31.714 11.989 -3.322 1.00 14.90 O +ATOM 73 CB THR A 5 28.828 11.779 -2.835 1.00 16.30 C +ATOM 74 OG1 THR A 5 27.680 10.993 -2.516 1.00 16.67 O +ATOM 75 CG2 THR A 5 28.408 13.164 -3.244 1.00 16.13 C +ATOM 76 H THR A 5 30.290 9.616 -2.606 1.00 12.99 H +ATOM 77 HA THR A 5 29.000 11.038 -4.881 1.00 15.30 H +ATOM 78 HB THR A 5 29.469 11.846 -1.956 1.00 16.30 H +ATOM 79 HG1 THR A 5 27.959 10.120 -2.230 1.00 16.67 H +ATOM 80 HG21 THR A 5 27.865 13.636 -2.425 1.00 16.13 H +ATOM 81 HG22 THR A 5 29.291 13.756 -3.483 1.00 16.13 H +ATOM 82 HG23 THR A 5 27.763 13.105 -4.120 1.00 16.13 H +ATOM 83 N GLN A 6 31.225 12.091 -5.497 1.00 16.22 N +ATOM 84 CA GLN A 6 32.498 12.711 -5.868 1.00 16.33 C +ATOM 85 C GLN A 6 32.288 14.199 -6.157 1.00 14.81 C +ATOM 86 O GLN A 6 31.236 14.557 -6.693 1.00 14.49 O +ATOM 87 CB GLN A 6 33.044 11.990 -7.098 1.00 16.49 C +ATOM 88 CG GLN A 6 34.397 12.505 -7.590 1.00 14.45 C +ATOM 89 CD GLN A 6 35.066 11.533 -8.550 1.00 17.01 C +ATOM 90 OE1 GLN A 6 34.644 10.389 -8.771 1.00 16.39 O +ATOM 91 NE2 GLN A 6 36.113 11.962 -9.231 1.00 15.83 N +ATOM 92 H GLN A 6 30.558 11.915 -6.235 1.00 16.22 H +ATOM 93 HA GLN A 6 33.204 12.601 -5.045 1.00 16.33 H +ATOM 94 HB3 GLN A 6 32.317 12.056 -7.907 1.00 16.49 H +ATOM 95 HB2 GLN A 6 33.119 10.923 -6.887 1.00 16.49 H +ATOM 96 HG3 GLN A 6 35.051 12.679 -6.736 1.00 14.45 H +ATOM 97 HG2 GLN A 6 34.261 13.467 -8.084 1.00 14.45 H +ATOM 98 HE22 GLN A 6 36.583 11.344 -9.878 1.00 15.83 H +ATOM 99 HE21 GLN A 6 36.444 12.908 -9.105 1.00 15.83 H +ATOM 100 N SER A 7 33.183 15.091 -5.742 1.00 12.75 N +ATOM 101 CA SER A 7 33.011 16.468 -6.111 1.00 14.66 C +ATOM 102 C SER A 7 34.401 17.073 -6.190 1.00 14.22 C +ATOM 103 O SER A 7 35.353 16.548 -5.584 1.00 14.37 O +ATOM 104 CB SER A 7 32.113 17.247 -5.084 1.00 15.65 C +ATOM 105 OG SER A 7 32.589 17.220 -3.760 1.00 20.92 O +ATOM 106 H SER A 7 33.967 14.795 -5.178 1.00 12.75 H +ATOM 107 HA SER A 7 32.547 16.516 -7.096 1.00 14.66 H +ATOM 108 HB3 SER A 7 31.100 16.845 -5.112 1.00 15.65 H +ATOM 109 HB2 SER A 7 32.008 18.282 -5.409 1.00 15.65 H +ATOM 110 HG SER A 7 33.463 17.616 -3.725 1.00 20.92 H +ATOM 111 N PRO A 8 34.608 18.160 -6.953 1.00 16.38 N +ATOM 112 CA PRO A 8 33.586 18.802 -7.772 1.00 16.34 C +ATOM 113 C PRO A 8 33.333 18.052 -9.077 1.00 18.22 C +ATOM 114 O PRO A 8 34.063 17.103 -9.384 1.00 18.27 O +ATOM 115 CB PRO A 8 34.132 20.209 -7.934 1.00 14.63 C +ATOM 116 CG PRO A 8 35.617 19.947 -8.056 1.00 15.28 C +ATOM 117 CD PRO A 8 35.895 18.853 -7.046 1.00 15.29 C +ATOM 118 HA PRO A 8 32.656 18.847 -7.205 1.00 16.34 H +ATOM 119 HB3 PRO A 8 33.942 20.774 -7.021 1.00 14.63 H +ATOM 120 HB2 PRO A 8 33.765 20.630 -8.870 1.00 14.63 H +ATOM 121 HG3 PRO A 8 36.166 20.846 -7.775 1.00 15.28 H +ATOM 122 HG2 PRO A 8 35.837 19.578 -9.058 1.00 15.28 H +ATOM 123 HD2 PRO A 8 36.642 18.171 -7.452 1.00 15.29 H +ATOM 124 HD3 PRO A 8 36.130 19.305 -6.082 1.00 15.29 H +ATOM 125 N ALA A 9 32.295 18.437 -9.822 1.00 15.80 N +ATOM 126 CA ALA A 9 32.069 17.859 -11.133 1.00 17.01 C +ATOM 127 C ALA A 9 33.140 18.305 -12.144 1.00 18.11 C +ATOM 128 O ALA A 9 33.539 17.504 -12.988 1.00 17.83 O +ATOM 129 CB ALA A 9 30.680 18.268 -11.642 1.00 17.37 C +ATOM 130 H ALA A 9 31.656 19.138 -9.474 1.00 15.80 H +ATOM 131 HA ALA A 9 32.103 16.773 -11.046 1.00 17.01 H +ATOM 132 HB1 ALA A 9 30.511 17.833 -12.627 1.00 17.37 H +ATOM 133 HB2 ALA A 9 29.918 17.907 -10.951 1.00 17.37 H +ATOM 134 HB3 ALA A 9 30.623 19.354 -11.710 1.00 17.37 H +ATOM 135 N SER A 10 33.619 19.543 -12.096 1.00 17.07 N +ATOM 136 CA SER A 10 34.670 20.102 -12.958 1.00 22.59 C +ATOM 137 C SER A 10 35.495 21.048 -12.106 1.00 22.44 C +ATOM 138 O SER A 10 34.988 21.583 -11.105 1.00 22.20 O +ATOM 139 CB SER A 10 34.137 20.950 -14.082 1.00 23.30 C +ATOM 140 OG SER A 10 33.377 20.134 -14.946 1.00 34.48 O +ATOM 141 H SER A 10 33.257 20.199 -11.419 1.00 17.07 H +ATOM 142 HA SER A 10 35.299 19.304 -13.353 1.00 22.59 H +ATOM 143 HB3 SER A 10 34.970 21.386 -14.634 1.00 23.30 H +ATOM 144 HB2 SER A 10 33.502 21.737 -13.674 1.00 23.30 H +ATOM 145 HG SER A 10 33.934 19.437 -15.301 1.00 34.48 H +ATOM 146 N LEU A 11 36.746 21.228 -12.496 1.00 21.59 N +ATOM 147 CA LEU A 11 37.717 22.117 -11.863 1.00 25.02 C +ATOM 148 C LEU A 11 38.424 22.801 -13.026 1.00 26.13 C +ATOM 149 O LEU A 11 38.809 22.081 -13.962 1.00 25.07 O +ATOM 150 CB LEU A 11 38.836 21.392 -11.122 1.00 26.03 C +ATOM 151 CG LEU A 11 38.795 20.914 -9.704 1.00 29.76 C +ATOM 152 CD1 LEU A 11 39.564 19.619 -9.589 1.00 30.81 C +ATOM 153 CD2 LEU A 11 39.381 21.988 -8.795 1.00 32.46 C +ATOM 154 H LEU A 11 37.102 20.727 -13.297 1.00 21.59 H +ATOM 155 HA LEU A 11 37.224 22.845 -11.218 1.00 25.02 H +ATOM 156 HB3 LEU A 11 39.758 21.955 -11.264 1.00 26.03 H +ATOM 157 HB2 LEU A 11 39.181 20.569 -11.748 1.00 26.03 H +ATOM 158 HG LEU A 11 37.758 20.737 -9.420 1.00 29.76 H +ATOM 159 HD11 LEU A 11 39.535 19.269 -8.557 1.00 30.81 H +ATOM 160 HD12 LEU A 11 39.113 18.869 -10.239 1.00 30.81 H +ATOM 161 HD13 LEU A 11 40.599 19.783 -9.888 1.00 30.81 H +ATOM 162 HD21 LEU A 11 39.353 21.644 -7.761 1.00 32.46 H +ATOM 163 HD22 LEU A 11 40.413 22.186 -9.084 1.00 32.46 H +ATOM 164 HD23 LEU A 11 38.796 22.903 -8.889 1.00 32.46 H +ATOM 165 N SER A 12 38.614 24.122 -13.031 1.00 25.29 N +ATOM 166 CA SER A 12 39.432 24.769 -14.057 1.00 27.68 C +ATOM 167 C SER A 12 40.728 25.100 -13.343 1.00 26.51 C +ATOM 168 O SER A 12 40.686 25.642 -12.230 1.00 28.64 O +ATOM 169 CB SER A 12 38.805 26.061 -14.563 1.00 29.48 C +ATOM 170 OG SER A 12 37.558 25.807 -15.194 1.00 37.49 O +ATOM 171 H SER A 12 38.189 24.696 -12.317 1.00 25.29 H +ATOM 172 HA SER A 12 39.617 24.085 -14.885 1.00 27.68 H +ATOM 173 HB3 SER A 12 39.480 26.538 -15.273 1.00 29.48 H +ATOM 174 HB2 SER A 12 38.656 26.744 -13.727 1.00 29.48 H +ATOM 175 HG SER A 12 36.958 25.399 -14.565 1.00 37.49 H +ATOM 176 N ALA A 13 41.886 24.788 -13.909 1.00 23.99 N +ATOM 177 CA ALA A 13 43.145 25.018 -13.235 1.00 24.32 C +ATOM 178 C ALA A 13 44.257 25.319 -14.240 1.00 25.54 C +ATOM 179 O ALA A 13 44.225 24.910 -15.406 1.00 24.72 O +ATOM 180 CB ALA A 13 43.561 23.793 -12.444 1.00 24.39 C +ATOM 181 H ALA A 13 41.903 24.379 -14.833 1.00 23.99 H +ATOM 182 HA ALA A 13 43.038 25.864 -12.556 1.00 24.32 H +ATOM 183 HB1 ALA A 13 44.510 23.987 -11.945 1.00 24.39 H +ATOM 184 HB2 ALA A 13 42.799 23.565 -11.699 1.00 24.39 H +ATOM 185 HB3 ALA A 13 43.673 22.945 -13.119 1.00 24.39 H +ATOM 186 N SER A 14 45.248 26.045 -13.757 1.00 24.70 N +ATOM 187 CA SER A 14 46.421 26.350 -14.529 1.00 27.29 C +ATOM 188 C SER A 14 47.490 25.349 -14.125 1.00 24.40 C +ATOM 189 O SER A 14 47.445 24.778 -13.033 1.00 23.58 O +ATOM 190 CB SER A 14 46.945 27.761 -14.217 1.00 27.65 C +ATOM 191 OG SER A 14 45.939 28.736 -14.421 1.00 34.68 O +ATOM 192 H SER A 14 45.197 26.406 -12.815 1.00 24.70 H +ATOM 193 HA SER A 14 46.204 26.258 -15.593 1.00 27.29 H +ATOM 194 HB3 SER A 14 47.799 27.981 -14.858 1.00 27.65 H +ATOM 195 HB2 SER A 14 47.285 27.801 -13.182 1.00 27.65 H +ATOM 196 HG SER A 14 45.650 28.712 -15.336 1.00 34.68 H +ATOM 197 N VAL A 15 48.473 25.153 -15.007 1.00 24.33 N +ATOM 198 CA VAL A 15 49.668 24.381 -14.722 1.00 21.98 C +ATOM 199 C VAL A 15 50.369 25.048 -13.549 1.00 21.33 C +ATOM 200 O VAL A 15 50.507 26.277 -13.425 1.00 20.92 O +ATOM 201 CB VAL A 15 50.593 24.342 -15.986 1.00 23.23 C +ATOM 202 CG1 VAL A 15 51.955 23.715 -15.678 1.00 20.34 C +ATOM 203 CG2 VAL A 15 49.890 23.513 -17.069 1.00 23.33 C +ATOM 204 H VAL A 15 48.408 25.553 -15.932 1.00 24.33 H +ATOM 205 HA VAL A 15 49.387 23.365 -14.447 1.00 21.98 H +ATOM 206 HB VAL A 15 50.741 25.358 -16.353 1.00 23.23 H +ATOM 207 HG11 VAL A 15 52.565 23.708 -16.581 1.00 20.34 H +ATOM 208 HG12 VAL A 15 52.457 24.298 -14.906 1.00 20.34 H +ATOM 209 HG13 VAL A 15 51.814 22.693 -15.327 1.00 20.34 H +ATOM 210 HG21 VAL A 15 50.517 23.472 -17.960 1.00 23.33 H +ATOM 211 HG22 VAL A 15 49.718 22.502 -16.699 1.00 23.33 H +ATOM 212 HG23 VAL A 15 48.935 23.975 -17.318 1.00 23.33 H +ATOM 213 N GLY A 16 50.737 24.190 -12.623 1.00 20.44 N +ATOM 214 CA GLY A 16 51.480 24.632 -11.480 1.00 18.39 C +ATOM 215 C GLY A 16 50.554 24.780 -10.295 1.00 21.57 C +ATOM 216 O GLY A 16 51.103 24.854 -9.198 1.00 23.97 O +ATOM 217 H GLY A 16 50.496 23.213 -12.715 1.00 20.44 H +ATOM 218 HA3 GLY A 16 51.946 25.593 -11.699 1.00 18.39 H +ATOM 219 HA2 GLY A 16 52.255 23.902 -11.246 1.00 18.39 H +ATOM 220 N GLU A 17 49.223 24.861 -10.441 1.00 21.56 N +ATOM 221 CA GLU A 17 48.319 24.857 -9.304 1.00 24.54 C +ATOM 222 C GLU A 17 48.240 23.507 -8.579 1.00 21.95 C +ATOM 223 O GLU A 17 48.578 22.452 -9.131 1.00 20.26 O +ATOM 224 CB GLU A 17 46.935 25.187 -9.736 1.00 26.08 C +ATOM 225 CG GLU A 17 46.697 26.649 -9.999 1.00 34.67 C +ATOM 226 CD GLU A 17 45.260 26.976 -10.409 1.00 39.87 C +ATOM 227 OE1 GLU A 17 44.310 26.428 -9.835 1.00 44.72 O +ATOM 228 OE2 GLU A 17 45.094 27.792 -11.316 1.00 42.79 O +ATOM 229 H GLU A 17 48.819 24.928 -11.364 1.00 21.56 H +ATOM 230 HA GLU A 17 48.651 25.614 -8.594 1.00 24.54 H +ATOM 231 HB3 GLU A 17 46.229 24.836 -8.984 1.00 26.08 H +ATOM 232 HB2 GLU A 17 46.690 24.615 -10.631 1.00 26.08 H +ATOM 233 HG3 GLU A 17 47.381 26.993 -10.774 1.00 34.67 H +ATOM 234 HG2 GLU A 17 46.959 27.224 -9.111 1.00 34.67 H +ATOM 235 N THR A 18 47.826 23.507 -7.318 1.00 23.70 N +ATOM 236 CA THR A 18 47.508 22.277 -6.595 1.00 22.44 C +ATOM 237 C THR A 18 45.977 22.184 -6.515 1.00 21.72 C +ATOM 238 O THR A 18 45.302 23.199 -6.298 1.00 23.89 O +ATOM 239 CB THR A 18 48.142 22.337 -5.208 1.00 22.56 C +ATOM 240 OG1 THR A 18 49.544 22.192 -5.450 1.00 27.56 O +ATOM 241 CG2 THR A 18 47.643 21.275 -4.242 1.00 19.16 C +ATOM 242 H THR A 18 47.720 24.380 -6.821 1.00 23.70 H +ATOM 243 HA THR A 18 47.900 21.419 -7.141 1.00 22.44 H +ATOM 244 HB THR A 18 47.958 23.321 -4.777 1.00 22.56 H +ATOM 245 HG1 THR A 18 49.771 21.259 -5.469 1.00 27.56 H +ATOM 246 HG21 THR A 18 48.146 21.391 -3.282 1.00 19.16 H +ATOM 247 HG22 THR A 18 46.567 21.385 -4.104 1.00 19.16 H +ATOM 248 HG23 THR A 18 47.858 20.286 -4.646 1.00 19.16 H +ATOM 249 N VAL A 19 45.372 21.010 -6.706 1.00 18.20 N +ATOM 250 CA VAL A 19 43.923 20.850 -6.658 1.00 18.07 C +ATOM 251 C VAL A 19 43.600 19.615 -5.813 1.00 18.34 C +ATOM 252 O VAL A 19 44.481 18.768 -5.590 1.00 18.98 O +ATOM 253 CB VAL A 19 43.284 20.653 -8.074 1.00 19.99 C +ATOM 254 CG1 VAL A 19 43.527 21.923 -8.891 1.00 19.87 C +ATOM 255 CG2 VAL A 19 43.819 19.389 -8.766 1.00 15.80 C +ATOM 256 H VAL A 19 45.921 20.183 -6.893 1.00 18.20 H +ATOM 257 HA VAL A 19 43.483 21.729 -6.187 1.00 18.07 H +ATOM 258 HB VAL A 19 42.208 20.536 -7.945 1.00 19.99 H +ATOM 259 HG11 VAL A 19 43.089 21.807 -9.883 1.00 19.87 H +ATOM 260 HG12 VAL A 19 43.066 22.773 -8.388 1.00 19.87 H +ATOM 261 HG13 VAL A 19 44.599 22.095 -8.986 1.00 19.87 H +ATOM 262 HG21 VAL A 19 43.353 19.286 -9.746 1.00 15.80 H +ATOM 263 HG22 VAL A 19 44.900 19.469 -8.885 1.00 15.80 H +ATOM 264 HG23 VAL A 19 43.585 18.515 -8.159 1.00 15.80 H +ATOM 265 N THR A 20 42.366 19.471 -5.346 1.00 20.20 N +ATOM 266 CA THR A 20 41.955 18.351 -4.509 1.00 20.89 C +ATOM 267 C THR A 20 40.623 17.848 -4.995 1.00 18.07 C +ATOM 268 O THR A 20 39.740 18.666 -5.271 1.00 21.67 O +ATOM 269 CB THR A 20 41.807 18.787 -3.063 1.00 24.40 C +ATOM 270 OG1 THR A 20 43.033 19.414 -2.703 1.00 29.75 O +ATOM 271 CG2 THR A 20 41.530 17.616 -2.129 1.00 26.48 C +ATOM 272 H THR A 20 41.659 20.158 -5.567 1.00 20.20 H +ATOM 273 HA THR A 20 42.694 17.553 -4.577 1.00 20.89 H +ATOM 274 HB THR A 20 40.995 19.510 -2.985 1.00 24.40 H +ATOM 275 HG1 THR A 20 43.187 20.169 -3.275 1.00 29.75 H +ATOM 276 HG21 THR A 20 41.432 17.981 -1.107 1.00 26.48 H +ATOM 277 HG22 THR A 20 40.605 17.123 -2.428 1.00 26.48 H +ATOM 278 HG23 THR A 20 42.354 16.905 -2.183 1.00 26.48 H +ATOM 279 N ILE A 21 40.425 16.535 -5.093 1.00 18.16 N +ATOM 280 CA ILE A 21 39.172 15.954 -5.571 1.00 17.85 C +ATOM 281 C ILE A 21 38.669 15.092 -4.414 1.00 17.38 C +ATOM 282 O ILE A 21 39.515 14.447 -3.790 1.00 16.75 O +ATOM 283 CB ILE A 21 39.423 15.071 -6.822 1.00 18.01 C +ATOM 284 CG1 ILE A 21 39.930 15.947 -7.969 1.00 22.33 C +ATOM 285 CG2 ILE A 21 38.119 14.363 -7.239 1.00 19.50 C +ATOM 286 CD1 ILE A 21 40.546 15.172 -9.175 1.00 22.55 C +ATOM 287 H ILE A 21 41.159 15.893 -4.831 1.00 18.16 H +ATOM 288 HA ILE A 21 38.452 16.740 -5.800 1.00 17.85 H +ATOM 289 HB ILE A 21 40.177 14.321 -6.585 1.00 18.01 H +ATOM 290 HG13 ILE A 21 40.663 16.656 -7.584 1.00 22.33 H +ATOM 291 HG12 ILE A 21 39.118 16.581 -8.325 1.00 22.33 H +ATOM 292 HG21 ILE A 21 38.305 13.746 -8.118 1.00 19.50 H +ATOM 293 HG22 ILE A 21 37.769 13.733 -6.421 1.00 19.50 H +ATOM 294 HG23 ILE A 21 37.359 15.108 -7.474 1.00 19.50 H +ATOM 295 HD11 ILE A 21 40.875 15.882 -9.934 1.00 22.55 H +ATOM 296 HD12 ILE A 21 41.399 14.585 -8.833 1.00 22.55 H +ATOM 297 HD13 ILE A 21 39.795 14.507 -9.602 1.00 22.55 H +ATOM 298 N THR A 22 37.380 15.035 -4.059 1.00 17.91 N +ATOM 299 CA THR A 22 36.939 14.193 -2.959 1.00 18.36 C +ATOM 300 C THR A 22 35.891 13.160 -3.319 1.00 15.75 C +ATOM 301 O THR A 22 35.093 13.345 -4.242 1.00 15.52 O +ATOM 302 CB THR A 22 36.415 15.097 -1.809 1.00 20.00 C +ATOM 303 OG1 THR A 22 35.269 15.799 -2.292 1.00 22.72 O +ATOM 304 CG2 THR A 22 37.431 16.139 -1.385 1.00 19.97 C +ATOM 305 H THR A 22 36.694 15.583 -4.558 1.00 17.91 H +ATOM 306 HA THR A 22 37.812 13.658 -2.584 1.00 18.36 H +ATOM 307 HB THR A 22 36.138 14.482 -0.953 1.00 20.00 H +ATOM 308 HG1 THR A 22 35.517 16.334 -3.049 1.00 22.72 H +ATOM 309 HG21 THR A 22 37.016 16.745 -0.579 1.00 19.97 H +ATOM 310 HG22 THR A 22 38.337 15.643 -1.037 1.00 19.97 H +ATOM 311 HG23 THR A 22 37.671 16.780 -2.234 1.00 19.97 H +ATOM 312 N CYS A 23 35.898 12.048 -2.629 1.00 15.81 N +ATOM 313 CA CYS A 23 34.879 11.041 -2.764 1.00 17.76 C +ATOM 314 C CYS A 23 34.402 10.720 -1.368 1.00 15.40 C +ATOM 315 O CYS A 23 35.216 10.443 -0.483 1.00 18.23 O +ATOM 316 CB CYS A 23 35.421 9.763 -3.415 1.00 18.35 C +ATOM 317 SG CYS A 23 35.279 9.926 -5.224 1.00 24.36 S +ATOM 318 H CYS A 23 36.640 11.868 -1.968 1.00 15.81 H +ATOM 319 HA CYS A 23 34.051 11.432 -3.355 1.00 17.76 H +ATOM 320 HB3 CYS A 23 34.834 8.908 -3.080 1.00 18.35 H +ATOM 321 HB2 CYS A 23 36.469 9.633 -3.143 1.00 18.35 H +ATOM 322 N ARG A 24 33.105 10.798 -1.127 1.00 16.44 N +ATOM 323 CA ARG A 24 32.583 10.439 0.167 1.00 18.34 C +ATOM 324 C ARG A 24 31.742 9.192 0.003 1.00 15.89 C +ATOM 325 O ARG A 24 30.869 9.139 -0.863 1.00 18.71 O +ATOM 326 CB ARG A 24 31.788 11.631 0.699 1.00 19.20 C +ATOM 327 CG ARG A 24 30.884 11.285 1.890 1.00 25.12 C +ATOM 328 CD ARG A 24 30.165 12.449 2.578 1.00 29.73 C +ATOM 329 NE ARG A 24 29.498 13.397 1.692 1.00 34.02 N +ATOM 330 CZ ARG A 24 28.340 13.186 1.055 1.00 33.69 C +ATOM 331 NH1 ARG A 24 27.626 12.068 1.191 1.00 35.29 N +ATOM 332 NH2 ARG A 24 27.876 14.146 0.255 1.00 34.35 N +ATOM 333 H ARG A 24 32.475 11.110 -1.852 1.00 16.44 H +ATOM 334 HA ARG A 24 33.411 10.228 0.843 1.00 18.34 H +ATOM 335 HB3 ARG A 24 31.183 12.050 -0.105 1.00 19.20 H +ATOM 336 HB2 ARG A 24 32.477 12.426 0.986 1.00 19.20 H +ATOM 337 HG3 ARG A 24 31.463 10.733 2.631 1.00 25.12 H +ATOM 338 HG2 ARG A 24 30.149 10.543 1.578 1.00 25.12 H +ATOM 339 HD3 ARG A 24 30.872 12.985 3.211 1.00 29.73 H +ATOM 340 HD2 ARG A 24 29.442 12.054 3.292 1.00 29.73 H +ATOM 341 HE ARG A 24 29.985 14.274 1.577 1.00 34.02 H +ATOM 342 HH12 ARG A 24 26.758 11.959 0.687 1.00 35.29 H +ATOM 343 HH11 ARG A 24 27.954 11.330 1.798 1.00 35.29 H +ATOM 344 HH22 ARG A 24 27.005 14.015 -0.239 1.00 34.35 H +ATOM 345 HH21 ARG A 24 28.396 15.005 0.142 1.00 34.35 H +ATOM 346 N ALA A 25 31.995 8.163 0.792 1.00 15.98 N +ATOM 347 CA ALA A 25 31.231 6.921 0.754 1.00 16.09 C +ATOM 348 C ALA A 25 30.002 6.926 1.673 1.00 17.01 C +ATOM 349 O ALA A 25 30.101 7.449 2.778 1.00 16.56 O +ATOM 350 CB ALA A 25 32.124 5.783 1.180 1.00 13.41 C +ATOM 351 H ALA A 25 32.749 8.214 1.462 1.00 15.98 H +ATOM 352 HA ALA A 25 30.902 6.744 -0.270 1.00 16.09 H +ATOM 353 HB1 ALA A 25 31.561 4.850 1.155 1.00 13.41 H +ATOM 354 HB2 ALA A 25 32.973 5.713 0.500 1.00 13.41 H +ATOM 355 HB3 ALA A 25 32.484 5.962 2.193 1.00 13.41 H +ATOM 356 N SER A 26 28.843 6.362 1.303 1.00 17.36 N +ATOM 357 CA SER A 26 27.689 6.308 2.171 1.00 18.79 C +ATOM 358 C SER A 26 27.872 5.308 3.319 1.00 20.22 C +ATOM 359 O SER A 26 27.055 5.262 4.249 1.00 24.64 O +ATOM 360 CB SER A 26 26.456 5.930 1.359 1.00 16.64 C +ATOM 361 OG SER A 26 26.637 4.678 0.699 1.00 17.82 O +ATOM 362 H SER A 26 28.751 5.952 0.384 1.00 17.36 H +ATOM 363 HA SER A 26 27.531 7.299 2.598 1.00 18.79 H +ATOM 364 HB3 SER A 26 26.257 6.705 0.619 1.00 16.64 H +ATOM 365 HB2 SER A 26 25.591 5.870 2.019 1.00 16.64 H +ATOM 366 HG SER A 26 26.312 3.970 1.260 1.00 17.82 H +ATOM 367 N GLY A 27 28.923 4.489 3.314 1.00 18.04 N +ATOM 368 CA GLY A 27 29.190 3.577 4.396 1.00 14.19 C +ATOM 369 C GLY A 27 30.669 3.343 4.447 1.00 16.77 C +ATOM 370 O GLY A 27 31.370 3.639 3.467 1.00 17.94 O +ATOM 371 H GLY A 27 29.564 4.495 2.533 1.00 18.04 H +ATOM 372 HA3 GLY A 27 28.679 2.632 4.209 1.00 14.19 H +ATOM 373 HA2 GLY A 27 28.860 4.022 5.335 1.00 14.19 H +ATOM 374 N ASN A 28 31.177 2.856 5.583 1.00 16.12 N +ATOM 375 CA ASN A 28 32.615 2.654 5.755 1.00 19.88 C +ATOM 376 C ASN A 28 33.165 1.646 4.741 1.00 19.16 C +ATOM 377 O ASN A 28 32.667 0.513 4.629 1.00 17.27 O +ATOM 378 CB ASN A 28 32.876 2.157 7.167 1.00 19.16 C +ATOM 379 CG ASN A 28 34.324 2.099 7.594 1.00 19.60 C +ATOM 380 OD1 ASN A 28 35.268 2.367 6.845 1.00 19.73 O +ATOM 381 ND2 ASN A 28 34.584 1.642 8.811 1.00 23.36 N +ATOM 382 H ASN A 28 30.564 2.618 6.349 1.00 16.12 H +ATOM 383 HA ASN A 28 33.124 3.608 5.617 1.00 19.88 H +ATOM 384 HB3 ASN A 28 32.425 1.172 7.291 1.00 19.16 H +ATOM 385 HB2 ASN A 28 32.317 2.771 7.873 1.00 19.16 H +ATOM 386 HD22 ASN A 28 35.539 1.587 9.136 1.00 23.36 H +ATOM 387 HD21 ASN A 28 33.828 1.349 9.413 1.00 23.36 H +ATOM 388 N ILE A 29 34.120 2.070 3.922 1.00 17.75 N +ATOM 389 CA ILE A 29 34.721 1.156 2.963 1.00 15.68 C +ATOM 390 C ILE A 29 36.093 0.678 3.396 1.00 15.40 C +ATOM 391 O ILE A 29 36.791 -0.020 2.650 1.00 14.35 O +ATOM 392 CB ILE A 29 34.797 1.790 1.536 1.00 13.45 C +ATOM 393 CG1 ILE A 29 35.465 3.158 1.508 1.00 13.79 C +ATOM 394 CG2 ILE A 29 33.368 1.872 1.012 1.00 11.35 C +ATOM 395 CD1 ILE A 29 35.661 3.646 0.049 1.00 13.34 C +ATOM 396 H ILE A 29 34.431 3.030 3.964 1.00 17.75 H +ATOM 397 HA ILE A 29 34.075 0.280 2.897 1.00 15.68 H +ATOM 398 HB ILE A 29 35.362 1.118 0.890 1.00 13.45 H +ATOM 399 HG13 ILE A 29 36.434 3.099 2.004 1.00 13.79 H +ATOM 400 HG12 ILE A 29 34.848 3.874 2.050 1.00 13.79 H +ATOM 401 HG21 ILE A 29 33.371 2.310 0.014 1.00 11.35 H +ATOM 402 HG22 ILE A 29 32.939 0.871 0.967 1.00 11.35 H +ATOM 403 HG23 ILE A 29 32.771 2.493 1.679 1.00 11.35 H +ATOM 404 HD11 ILE A 29 36.140 4.625 0.054 1.00 13.34 H +ATOM 405 HD12 ILE A 29 36.290 2.937 -0.490 1.00 13.34 H +ATOM 406 HD13 ILE A 29 34.691 3.719 -0.444 1.00 13.34 H +ATOM 407 N HIS A 30 36.509 1.061 4.616 1.00 12.79 N +ATOM 408 CA HIS A 30 37.711 0.535 5.256 1.00 15.00 C +ATOM 409 C HIS A 30 39.017 0.678 4.452 1.00 16.87 C +ATOM 410 O HIS A 30 39.825 -0.259 4.413 1.00 13.64 O +ATOM 411 CB HIS A 30 37.499 -0.963 5.598 1.00 16.67 C +ATOM 412 CG HIS A 30 36.388 -1.259 6.588 1.00 18.81 C +ATOM 413 ND1 HIS A 30 35.062 -1.379 6.263 1.00 20.31 N +ATOM 414 CD2 HIS A 30 36.498 -1.384 7.906 1.00 19.39 C +ATOM 415 CE1 HIS A 30 34.450 -1.568 7.403 1.00 18.50 C +ATOM 416 NE2 HIS A 30 35.302 -1.572 8.389 1.00 20.73 N +ATOM 417 H HIS A 30 35.981 1.746 5.138 1.00 12.79 H +ATOM 418 HA HIS A 30 37.844 1.071 6.196 1.00 15.00 H +ATOM 419 HB3 HIS A 30 38.434 -1.383 5.970 1.00 16.67 H +ATOM 420 HB2 HIS A 30 37.320 -1.520 4.679 1.00 16.67 H +ATOM 421 HD1 HIS A 30 34.750 -1.308 5.231 1.00 20.31 H +ATOM 422 HD2 HIS A 30 37.406 -1.325 8.345 1.00 19.39 H +ATOM 423 HE1 HIS A 30 33.447 -1.686 7.424 1.00 18.50 H +ATOM 424 N ASN A 31 39.215 1.822 3.772 1.00 17.62 N +ATOM 425 CA ASN A 31 40.395 2.147 2.962 1.00 17.82 C +ATOM 426 C ASN A 31 40.501 1.458 1.616 1.00 14.77 C +ATOM 427 O ASN A 31 41.493 1.670 0.929 1.00 14.71 O +ATOM 428 CB ASN A 31 41.727 1.856 3.683 1.00 24.78 C +ATOM 429 CG ASN A 31 42.229 2.999 4.528 1.00 31.57 C +ATOM 430 OD1 ASN A 31 41.567 3.428 5.462 1.00 36.35 O +ATOM 431 ND2 ASN A 31 43.406 3.569 4.333 1.00 38.99 N +ATOM 432 H ASN A 31 38.515 2.550 3.793 1.00 17.62 H +ATOM 433 HA ASN A 31 40.364 3.219 2.770 1.00 17.82 H +ATOM 434 HB3 ASN A 31 42.486 1.590 2.947 1.00 24.78 H +ATOM 435 HB2 ASN A 31 41.615 0.968 4.306 1.00 24.78 H +ATOM 436 HD22 ASN A 31 43.701 4.333 4.924 1.00 38.99 H +ATOM 437 HD21 ASN A 31 44.010 3.241 3.593 1.00 38.99 H +ATOM 438 N TYR A 32 39.537 0.643 1.163 1.00 13.03 N +ATOM 439 CA TYR A 32 39.579 -0.062 -0.121 1.00 12.51 C +ATOM 440 C TYR A 32 39.026 0.896 -1.164 1.00 12.06 C +ATOM 441 O TYR A 32 37.881 0.792 -1.602 1.00 10.17 O +ATOM 442 CB TYR A 32 38.711 -1.359 -0.103 1.00 9.99 C +ATOM 443 CG TYR A 32 39.465 -2.452 0.614 1.00 13.53 C +ATOM 444 CD1 TYR A 32 40.376 -3.237 -0.075 1.00 12.86 C +ATOM 445 CD2 TYR A 32 39.264 -2.644 1.969 1.00 13.11 C +ATOM 446 CE1 TYR A 32 41.086 -4.213 0.608 1.00 15.28 C +ATOM 447 CE2 TYR A 32 39.972 -3.617 2.663 1.00 12.50 C +ATOM 448 CZ TYR A 32 40.878 -4.405 1.972 1.00 14.92 C +ATOM 449 OH TYR A 32 41.538 -5.432 2.642 1.00 15.67 O +ATOM 450 H TYR A 32 38.710 0.481 1.720 1.00 13.03 H +ATOM 451 HA TYR A 32 40.610 -0.315 -0.366 1.00 12.51 H +ATOM 452 HB3 TYR A 32 38.504 -1.672 -1.126 1.00 9.99 H +ATOM 453 HB2 TYR A 32 37.774 -1.162 0.418 1.00 9.99 H +ATOM 454 HD1 TYR A 32 40.527 -3.086 -1.134 1.00 12.86 H +ATOM 455 HD2 TYR A 32 38.549 -2.033 2.501 1.00 13.11 H +ATOM 456 HE1 TYR A 32 41.803 -4.827 0.082 1.00 15.28 H +ATOM 457 HE2 TYR A 32 39.812 -3.749 3.723 1.00 12.50 H +ATOM 458 HH TYR A 32 42.089 -5.916 2.023 1.00 15.67 H +ATOM 459 N LEU A 33 39.835 1.862 -1.550 1.00 11.48 N +ATOM 460 CA LEU A 33 39.384 2.847 -2.502 1.00 14.29 C +ATOM 461 C LEU A 33 40.542 3.086 -3.476 1.00 11.41 C +ATOM 462 O LEU A 33 41.712 3.166 -3.082 1.00 13.48 O +ATOM 463 CB LEU A 33 38.986 4.167 -1.771 1.00 14.20 C +ATOM 464 CG LEU A 33 38.504 5.268 -2.736 1.00 14.35 C +ATOM 465 CD1 LEU A 33 37.047 5.522 -2.562 1.00 16.21 C +ATOM 466 CD2 LEU A 33 39.307 6.527 -2.503 1.00 15.40 C +ATOM 467 H LEU A 33 40.773 1.914 -1.179 1.00 11.48 H +ATOM 468 HA LEU A 33 38.524 2.459 -3.047 1.00 14.29 H +ATOM 469 HB3 LEU A 33 39.838 4.535 -1.198 1.00 14.20 H +ATOM 470 HB2 LEU A 33 38.203 3.956 -1.043 1.00 14.20 H +ATOM 471 HG LEU A 33 38.677 4.932 -3.758 1.00 14.35 H +ATOM 472 HD11 LEU A 33 36.729 6.303 -3.253 1.00 16.21 H +ATOM 473 HD12 LEU A 33 36.491 4.607 -2.767 1.00 16.21 H +ATOM 474 HD13 LEU A 33 36.853 5.843 -1.538 1.00 16.21 H +ATOM 475 HD21 LEU A 33 38.967 7.307 -3.185 1.00 15.40 H +ATOM 476 HD22 LEU A 33 39.171 6.860 -1.474 1.00 15.40 H +ATOM 477 HD23 LEU A 33 40.363 6.323 -2.682 1.00 15.40 H +ATOM 478 N ALA A 34 40.201 3.212 -4.744 1.00 14.93 N +ATOM 479 CA ALA A 34 41.168 3.434 -5.807 1.00 15.63 C +ATOM 480 C ALA A 34 40.785 4.643 -6.673 1.00 15.07 C +ATOM 481 O ALA A 34 39.610 5.019 -6.773 1.00 14.70 O +ATOM 482 CB ALA A 34 41.252 2.170 -6.690 1.00 14.01 C +ATOM 483 H ALA A 34 39.229 3.155 -5.014 1.00 14.93 H +ATOM 484 HA ALA A 34 42.145 3.617 -5.361 1.00 15.63 H +ATOM 485 HB1 ALA A 34 41.976 2.332 -7.489 1.00 14.01 H +ATOM 486 HB2 ALA A 34 41.566 1.322 -6.082 1.00 14.01 H +ATOM 487 HB3 ALA A 34 40.274 1.963 -7.124 1.00 14.01 H +ATOM 488 N TRP A 35 41.767 5.294 -7.288 1.00 13.20 N +ATOM 489 CA TRP A 35 41.554 6.430 -8.161 1.00 14.47 C +ATOM 490 C TRP A 35 42.120 6.110 -9.534 1.00 12.69 C +ATOM 491 O TRP A 35 43.174 5.479 -9.660 1.00 12.57 O +ATOM 492 CB TRP A 35 42.250 7.684 -7.613 1.00 12.42 C +ATOM 493 CG TRP A 35 41.632 8.266 -6.337 1.00 11.61 C +ATOM 494 CD1 TRP A 35 42.118 7.933 -5.097 1.00 11.10 C +ATOM 495 CD2 TRP A 35 40.624 9.192 -6.271 1.00 11.48 C +ATOM 496 NE1 TRP A 35 41.426 8.648 -4.235 1.00 13.94 N +ATOM 497 CE2 TRP A 35 40.516 9.408 -4.887 1.00 14.81 C +ATOM 498 CE3 TRP A 35 39.801 9.854 -7.162 1.00 9.88 C +ATOM 499 CZ2 TRP A 35 39.598 10.321 -4.377 1.00 11.68 C +ATOM 500 CZ3 TRP A 35 38.881 10.760 -6.640 1.00 13.73 C +ATOM 501 CH2 TRP A 35 38.774 10.990 -5.265 1.00 9.44 C +ATOM 502 H TRP A 35 42.725 5.002 -7.158 1.00 13.20 H +ATOM 503 HA TRP A 35 40.484 6.621 -8.248 1.00 14.47 H +ATOM 504 HB3 TRP A 35 42.270 8.452 -8.386 1.00 12.42 H +ATOM 505 HB2 TRP A 35 43.303 7.464 -7.436 1.00 12.42 H +ATOM 506 HD1 TRP A 35 42.914 7.209 -5.006 1.00 11.10 H +ATOM 507 HE1 TRP A 35 41.619 8.573 -3.246 1.00 13.94 H +ATOM 508 HE3 TRP A 35 39.885 9.660 -8.221 1.00 9.88 H +ATOM 509 HZ2 TRP A 35 39.542 10.493 -3.312 1.00 11.68 H +ATOM 510 HZ3 TRP A 35 38.226 11.307 -7.302 1.00 13.73 H +ATOM 511 HH2 TRP A 35 38.043 11.695 -4.897 1.00 9.44 H +ATOM 512 N TYR A 36 41.421 6.520 -10.561 1.00 12.32 N +ATOM 513 CA TYR A 36 41.810 6.323 -11.956 1.00 14.74 C +ATOM 514 C TYR A 36 41.815 7.671 -12.683 1.00 14.27 C +ATOM 515 O TYR A 36 41.010 8.561 -12.358 1.00 14.76 O +ATOM 516 CB TYR A 36 40.818 5.378 -12.732 1.00 12.87 C +ATOM 517 CG TYR A 36 40.637 4.020 -12.092 1.00 15.30 C +ATOM 518 CD1 TYR A 36 41.478 2.968 -12.407 1.00 14.71 C +ATOM 519 CD2 TYR A 36 39.628 3.862 -11.146 1.00 16.62 C +ATOM 520 CE1 TYR A 36 41.325 1.761 -11.749 1.00 15.69 C +ATOM 521 CE2 TYR A 36 39.472 2.655 -10.482 1.00 15.63 C +ATOM 522 CZ TYR A 36 40.325 1.617 -10.799 1.00 16.15 C +ATOM 523 OH TYR A 36 40.213 0.426 -10.129 1.00 14.33 O +ATOM 524 H TYR A 36 40.549 7.009 -10.416 1.00 12.32 H +ATOM 525 HA TYR A 36 42.812 5.895 -11.990 1.00 14.74 H +ATOM 526 HB3 TYR A 36 41.167 5.251 -13.757 1.00 12.87 H +ATOM 527 HB2 TYR A 36 39.848 5.867 -12.822 1.00 12.87 H +ATOM 528 HD1 TYR A 36 42.243 3.095 -13.159 1.00 14.71 H +ATOM 529 HD2 TYR A 36 38.961 4.682 -10.926 1.00 16.62 H +ATOM 530 HE1 TYR A 36 41.983 0.935 -11.976 1.00 15.69 H +ATOM 531 HE2 TYR A 36 38.698 2.544 -9.737 1.00 15.63 H +ATOM 532 HH TYR A 36 39.295 0.278 -9.890 1.00 14.33 H +ATOM 533 N GLN A 37 42.701 7.787 -13.675 1.00 14.45 N +ATOM 534 CA GLN A 37 42.723 8.919 -14.582 1.00 15.04 C +ATOM 535 C GLN A 37 42.252 8.422 -15.943 1.00 14.89 C +ATOM 536 O GLN A 37 42.637 7.325 -16.368 1.00 16.25 O +ATOM 537 CB GLN A 37 44.134 9.471 -14.712 1.00 15.49 C +ATOM 538 CG GLN A 37 44.341 10.662 -15.642 1.00 17.74 C +ATOM 539 CD GLN A 37 45.847 10.881 -15.762 1.00 21.79 C +ATOM 540 OE1 GLN A 37 46.607 9.944 -16.309 1.00 26.08 O +ATOM 541 NE2 GLN A 37 46.418 11.857 -15.278 1.00 22.44 N +ATOM 542 H GLN A 37 43.395 7.068 -13.819 1.00 14.45 H +ATOM 543 HA GLN A 37 42.052 9.698 -14.219 1.00 15.04 H +ATOM 544 HB3 GLN A 37 44.807 8.666 -15.006 1.00 15.49 H +ATOM 545 HB2 GLN A 37 44.513 9.721 -13.721 1.00 15.49 H +ATOM 546 HG3 GLN A 37 43.879 11.548 -15.205 1.00 17.74 H +ATOM 547 HG2 GLN A 37 43.929 10.431 -16.624 1.00 17.74 H +ATOM 548 HE22 GLN A 37 47.417 11.961 -15.382 1.00 22.44 H +ATOM 549 HE21 GLN A 37 45.888 12.555 -14.776 1.00 22.44 H +ATOM 550 N GLN A 38 41.428 9.184 -16.654 1.00 14.65 N +ATOM 551 CA GLN A 38 41.033 8.822 -17.996 1.00 16.47 C +ATOM 552 C GLN A 38 41.270 10.038 -18.876 1.00 18.72 C +ATOM 553 O GLN A 38 40.699 11.112 -18.645 1.00 16.72 O +ATOM 554 CB GLN A 38 39.577 8.441 -18.054 1.00 15.88 C +ATOM 555 CG GLN A 38 39.219 7.945 -19.456 1.00 16.45 C +ATOM 556 CD GLN A 38 37.801 7.411 -19.533 1.00 21.22 C +ATOM 557 OE1 GLN A 38 36.888 7.927 -18.870 1.00 23.12 O +ATOM 558 NE2 GLN A 38 37.579 6.368 -20.314 1.00 18.15 N +ATOM 559 H GLN A 38 41.063 10.038 -16.258 1.00 14.65 H +ATOM 560 HA GLN A 38 41.644 7.990 -18.347 1.00 16.47 H +ATOM 561 HB3 GLN A 38 38.965 9.309 -17.808 1.00 15.88 H +ATOM 562 HB2 GLN A 38 39.379 7.652 -17.328 1.00 15.88 H +ATOM 563 HG3 GLN A 38 39.918 7.163 -19.753 1.00 16.45 H +ATOM 564 HG2 GLN A 38 39.339 8.760 -20.170 1.00 16.45 H +ATOM 565 HE22 GLN A 38 36.648 5.984 -20.391 1.00 18.15 H +ATOM 566 HE21 GLN A 38 38.340 5.955 -20.833 1.00 18.15 H +ATOM 567 N LYS A 39 42.199 9.897 -19.810 1.00 23.27 N +ATOM 568 CA LYS A 39 42.503 10.916 -20.821 1.00 28.56 C +ATOM 569 C LYS A 39 41.472 10.831 -21.918 1.00 30.02 C +ATOM 570 O LYS A 39 40.882 9.756 -22.129 1.00 28.19 O +ATOM 571 CB LYS A 39 43.840 10.690 -21.509 1.00 31.26 C +ATOM 572 CG LYS A 39 45.078 10.698 -20.659 1.00 34.02 C +ATOM 573 CD LYS A 39 45.328 12.135 -20.276 1.00 38.36 C +ATOM 574 CE LYS A 39 46.537 12.186 -19.392 1.00 41.63 C +ATOM 575 NZ LYS A 39 47.777 12.058 -20.130 1.00 43.61 N +ATOM 576 H LYS A 39 42.746 9.049 -19.854 1.00 23.27 H +ATOM 577 HA LYS A 39 42.482 11.907 -20.367 1.00 28.56 H +ATOM 578 HB3 LYS A 39 43.955 11.416 -22.314 1.00 31.26 H +ATOM 579 HB2 LYS A 39 43.799 9.757 -22.072 1.00 31.26 H +ATOM 580 HG3 LYS A 39 45.921 10.327 -21.242 1.00 34.02 H +ATOM 581 HG2 LYS A 39 44.904 10.108 -19.759 1.00 34.02 H +ATOM 582 HD3 LYS A 39 44.465 12.521 -19.734 1.00 38.36 H +ATOM 583 HD2 LYS A 39 45.511 12.724 -21.175 1.00 38.36 H +ATOM 584 HE3 LYS A 39 46.475 11.392 -18.647 1.00 41.63 H +ATOM 585 HE2 LYS A 39 46.541 13.124 -18.837 1.00 41.63 H +ATOM 586 HZ1 LYS A 39 48.530 12.472 -19.599 1.00 43.61 H +ATOM 587 HZ2 LYS A 39 47.976 11.081 -20.289 1.00 43.61 H +ATOM 588 HZ3 LYS A 39 47.691 12.532 -21.018 1.00 43.61 H +ATOM 589 N GLN A 40 41.254 11.949 -22.612 1.00 34.74 N +ATOM 590 CA GLN A 40 40.332 11.995 -23.757 1.00 42.86 C +ATOM 591 C GLN A 40 40.583 10.827 -24.715 1.00 41.15 C +ATOM 592 O GLN A 40 41.697 10.625 -25.218 1.00 41.37 O +ATOM 593 CB GLN A 40 40.486 13.272 -24.592 1.00 49.17 C +ATOM 594 CG GLN A 40 39.988 14.591 -23.996 1.00 58.66 C +ATOM 595 CD GLN A 40 40.699 15.818 -24.574 1.00 62.44 C +ATOM 596 OE1 GLN A 40 40.508 16.246 -25.720 1.00 63.13 O +ATOM 597 NE2 GLN A 40 41.609 16.409 -23.814 1.00 64.32 N +ATOM 598 H GLN A 40 41.730 12.803 -22.357 1.00 34.74 H +ATOM 599 HA GLN A 40 39.308 11.936 -23.388 1.00 42.86 H +ATOM 600 HB3 GLN A 40 40.018 13.121 -25.565 1.00 49.17 H +ATOM 601 HB2 GLN A 40 41.530 13.384 -24.883 1.00 49.17 H +ATOM 602 HG3 GLN A 40 40.120 14.572 -22.914 1.00 58.66 H +ATOM 603 HG2 GLN A 40 38.915 14.682 -24.164 1.00 58.66 H +ATOM 604 HE22 GLN A 40 42.102 17.221 -24.156 1.00 64.32 H +ATOM 605 HE21 GLN A 40 41.810 16.047 -22.893 1.00 64.32 H +ATOM 606 N GLY A 41 39.529 10.013 -24.833 1.00 40.07 N +ATOM 607 CA GLY A 41 39.497 8.856 -25.712 1.00 37.47 C +ATOM 608 C GLY A 41 40.409 7.699 -25.299 1.00 37.20 C +ATOM 609 O GLY A 41 40.790 6.912 -26.171 1.00 38.47 O +ATOM 610 H GLY A 41 38.693 10.187 -24.293 1.00 40.07 H +ATOM 611 HA3 GLY A 41 39.746 9.167 -26.726 1.00 37.47 H +ATOM 612 HA2 GLY A 41 38.472 8.495 -25.795 1.00 37.47 H +ATOM 613 N LYS A 42 40.797 7.525 -24.035 1.00 33.21 N +ATOM 614 CA LYS A 42 41.679 6.434 -23.663 1.00 30.07 C +ATOM 615 C LYS A 42 40.976 5.643 -22.590 1.00 25.13 C +ATOM 616 O LYS A 42 39.945 6.077 -22.060 1.00 21.88 O +ATOM 617 CB LYS A 42 43.006 6.944 -23.089 1.00 32.92 C +ATOM 618 CG LYS A 42 43.806 7.902 -23.963 1.00 37.78 C +ATOM 619 CD LYS A 42 44.140 7.250 -25.286 1.00 42.17 C +ATOM 620 CE LYS A 42 44.930 8.213 -26.144 1.00 45.98 C +ATOM 621 NZ LYS A 42 45.584 7.458 -27.200 1.00 48.93 N +ATOM 622 H LYS A 42 40.477 8.159 -23.317 1.00 33.21 H +ATOM 623 HA LYS A 42 41.869 5.799 -24.528 1.00 30.07 H +ATOM 624 HB3 LYS A 42 43.633 6.093 -22.823 1.00 32.92 H +ATOM 625 HB2 LYS A 42 42.823 7.410 -22.121 1.00 32.92 H +ATOM 626 HG3 LYS A 42 44.728 8.177 -23.451 1.00 37.78 H +ATOM 627 HG2 LYS A 42 43.222 8.805 -24.141 1.00 37.78 H +ATOM 628 HD3 LYS A 42 43.218 6.978 -25.800 1.00 42.17 H +ATOM 629 HD2 LYS A 42 44.732 6.352 -25.109 1.00 42.17 H +ATOM 630 HE3 LYS A 42 45.684 8.710 -25.533 1.00 45.98 H +ATOM 631 HE2 LYS A 42 44.253 8.944 -26.586 1.00 45.98 H +ATOM 632 HZ1 LYS A 42 44.965 6.730 -27.527 1.00 48.93 H +ATOM 633 HZ2 LYS A 42 45.810 8.076 -27.966 1.00 48.93 H +ATOM 634 HZ3 LYS A 42 46.432 7.042 -26.842 1.00 48.93 H +ATOM 635 N SER A 43 41.541 4.477 -22.268 1.00 23.91 N +ATOM 636 CA SER A 43 41.073 3.632 -21.164 1.00 21.48 C +ATOM 637 C SER A 43 41.422 4.311 -19.840 1.00 19.20 C +ATOM 638 O SER A 43 42.410 5.061 -19.757 1.00 16.98 O +ATOM 639 CB SER A 43 41.755 2.263 -21.179 1.00 20.00 C +ATOM 640 OG SER A 43 41.567 1.654 -22.435 1.00 24.38 O +ATOM 641 H SER A 43 42.332 4.137 -22.795 1.00 23.91 H +ATOM 642 HA SER A 43 39.993 3.503 -21.235 1.00 21.48 H +ATOM 643 HB3 SER A 43 41.322 1.633 -20.402 1.00 20.00 H +ATOM 644 HB2 SER A 43 42.822 2.387 -20.991 1.00 20.00 H +ATOM 645 HG SER A 43 41.276 0.748 -22.311 1.00 24.38 H +ATOM 646 N PRO A 44 40.660 4.066 -18.763 1.00 16.63 N +ATOM 647 CA PRO A 44 41.038 4.472 -17.435 1.00 15.48 C +ATOM 648 C PRO A 44 42.398 3.854 -17.102 1.00 16.49 C +ATOM 649 O PRO A 44 42.766 2.787 -17.618 1.00 16.52 O +ATOM 650 CB PRO A 44 39.893 3.984 -16.552 1.00 15.25 C +ATOM 651 CG PRO A 44 38.722 3.988 -17.492 1.00 18.29 C +ATOM 652 CD PRO A 44 39.356 3.412 -18.765 1.00 15.30 C +ATOM 653 HA PRO A 44 41.104 5.559 -17.386 1.00 15.48 H +ATOM 654 HB3 PRO A 44 39.718 4.709 -15.757 1.00 15.25 H +ATOM 655 HB2 PRO A 44 40.095 2.961 -16.234 1.00 15.25 H +ATOM 656 HG3 PRO A 44 38.417 5.018 -17.679 1.00 18.29 H +ATOM 657 HG2 PRO A 44 37.966 3.295 -17.124 1.00 18.29 H +ATOM 658 HD2 PRO A 44 39.494 2.338 -18.641 1.00 15.30 H +ATOM 659 HD3 PRO A 44 38.788 3.749 -19.632 1.00 15.30 H +ATOM 660 N GLN A 45 43.172 4.547 -16.282 1.00 14.56 N +ATOM 661 CA GLN A 45 44.462 4.071 -15.865 1.00 19.84 C +ATOM 662 C GLN A 45 44.526 4.195 -14.343 1.00 17.02 C +ATOM 663 O GLN A 45 44.213 5.262 -13.779 1.00 15.74 O +ATOM 664 CB GLN A 45 45.510 4.941 -16.519 1.00 24.97 C +ATOM 665 CG GLN A 45 46.903 4.486 -16.236 1.00 36.97 C +ATOM 666 CD GLN A 45 47.870 5.658 -16.274 1.00 44.80 C +ATOM 667 OE1 GLN A 45 48.189 6.193 -17.345 1.00 47.37 O +ATOM 668 NE2 GLN A 45 48.338 6.103 -15.102 1.00 47.18 N +ATOM 669 H GLN A 45 42.861 5.441 -15.929 1.00 14.56 H +ATOM 670 HA GLN A 45 44.595 3.031 -16.164 1.00 19.84 H +ATOM 671 HB3 GLN A 45 45.389 5.970 -16.180 1.00 24.97 H +ATOM 672 HB2 GLN A 45 45.346 4.957 -17.597 1.00 24.97 H +ATOM 673 HG3 GLN A 45 47.201 3.746 -16.978 1.00 36.97 H +ATOM 674 HG2 GLN A 45 46.939 4.017 -15.252 1.00 36.97 H +ATOM 675 HE22 GLN A 45 48.983 6.880 -15.078 1.00 47.18 H +ATOM 676 HE21 GLN A 45 48.046 5.662 -14.241 1.00 47.18 H +ATOM 677 N LEU A 46 44.922 3.120 -13.667 1.00 13.41 N +ATOM 678 CA LEU A 46 45.080 3.146 -12.237 1.00 14.36 C +ATOM 679 C LEU A 46 46.141 4.136 -11.774 1.00 15.94 C +ATOM 680 O LEU A 46 47.288 4.147 -12.246 1.00 13.52 O +ATOM 681 CB LEU A 46 45.450 1.738 -11.722 1.00 16.88 C +ATOM 682 CG LEU A 46 45.633 1.562 -10.211 1.00 16.84 C +ATOM 683 CD1 LEU A 46 44.303 1.758 -9.495 1.00 13.36 C +ATOM 684 CD2 LEU A 46 46.184 0.177 -9.941 1.00 17.28 C +ATOM 685 H LEU A 46 45.119 2.259 -14.157 1.00 13.41 H +ATOM 686 HA LEU A 46 44.127 3.433 -11.793 1.00 14.36 H +ATOM 687 HB3 LEU A 46 46.349 1.395 -12.234 1.00 16.88 H +ATOM 688 HB2 LEU A 46 44.711 1.021 -12.079 1.00 16.88 H +ATOM 689 HG LEU A 46 46.344 2.305 -9.850 1.00 16.84 H +ATOM 690 HD11 LEU A 46 44.445 1.631 -8.422 1.00 13.36 H +ATOM 691 HD12 LEU A 46 43.927 2.761 -9.695 1.00 13.36 H +ATOM 692 HD13 LEU A 46 43.584 1.023 -9.856 1.00 13.36 H +ATOM 693 HD21 LEU A 46 46.318 0.042 -8.868 1.00 17.28 H +ATOM 694 HD22 LEU A 46 45.487 -0.572 -10.317 1.00 17.28 H +ATOM 695 HD23 LEU A 46 47.144 0.063 -10.444 1.00 17.28 H +ATOM 696 N LEU A 47 45.739 5.015 -10.858 1.00 13.43 N +ATOM 697 CA LEU A 47 46.668 5.905 -10.194 1.00 14.98 C +ATOM 698 C LEU A 47 47.054 5.522 -8.750 1.00 15.38 C +ATOM 699 O LEU A 47 48.250 5.454 -8.412 1.00 16.89 O +ATOM 700 CB LEU A 47 46.096 7.312 -10.154 1.00 14.28 C +ATOM 701 CG LEU A 47 45.757 8.053 -11.423 1.00 19.14 C +ATOM 702 CD1 LEU A 47 45.388 9.467 -11.011 1.00 21.12 C +ATOM 703 CD2 LEU A 47 46.920 8.148 -12.365 1.00 16.52 C +ATOM 704 H LEU A 47 44.762 5.074 -10.609 1.00 13.43 H +ATOM 705 HA LEU A 47 47.582 5.934 -10.786 1.00 14.98 H +ATOM 706 HB3 LEU A 47 46.746 7.939 -9.544 1.00 14.28 H +ATOM 707 HB2 LEU A 47 45.225 7.319 -9.499 1.00 14.28 H +ATOM 708 HG LEU A 47 44.912 7.576 -11.920 1.00 19.14 H +ATOM 709 HD11 LEU A 47 45.133 10.049 -11.896 1.00 21.12 H +ATOM 710 HD12 LEU A 47 44.532 9.438 -10.337 1.00 21.12 H +ATOM 711 HD13 LEU A 47 46.234 9.931 -10.504 1.00 21.12 H +ATOM 712 HD21 LEU A 47 46.619 8.691 -13.261 1.00 16.52 H +ATOM 713 HD22 LEU A 47 47.740 8.677 -11.879 1.00 16.52 H +ATOM 714 HD23 LEU A 47 47.247 7.146 -12.641 1.00 16.52 H +ATOM 715 N VAL A 48 46.037 5.261 -7.907 1.00 13.04 N +ATOM 716 CA VAL A 48 46.187 5.084 -6.466 1.00 15.22 C +ATOM 717 C VAL A 48 45.303 3.922 -6.064 1.00 11.70 C +ATOM 718 O VAL A 48 44.176 3.857 -6.554 1.00 12.69 O +ATOM 719 CB VAL A 48 45.711 6.369 -5.642 1.00 15.20 C +ATOM 720 CG1 VAL A 48 45.861 6.129 -4.151 1.00 13.90 C +ATOM 721 CG2 VAL A 48 46.532 7.598 -6.009 1.00 15.53 C +ATOM 722 H VAL A 48 45.096 5.176 -8.263 1.00 13.04 H +ATOM 723 HA VAL A 48 47.226 4.857 -6.228 1.00 15.22 H +ATOM 724 HB VAL A 48 44.662 6.564 -5.865 1.00 15.20 H +ATOM 725 HG11 VAL A 48 45.533 7.014 -3.605 1.00 13.90 H +ATOM 726 HG12 VAL A 48 45.252 5.274 -3.857 1.00 13.90 H +ATOM 727 HG13 VAL A 48 46.906 5.927 -3.918 1.00 13.90 H +ATOM 728 HG21 VAL A 48 46.183 8.454 -5.432 1.00 15.53 H +ATOM 729 HG22 VAL A 48 47.583 7.413 -5.786 1.00 15.53 H +ATOM 730 HG23 VAL A 48 46.418 7.807 -7.073 1.00 15.53 H +ATOM 731 N TYR A 49 45.763 3.030 -5.205 1.00 14.50 N +ATOM 732 CA TYR A 49 44.909 1.972 -4.669 1.00 13.53 C +ATOM 733 C TYR A 49 45.096 1.958 -3.146 1.00 14.26 C +ATOM 734 O TYR A 49 46.075 2.554 -2.632 1.00 13.06 O +ATOM 735 CB TYR A 49 45.284 0.615 -5.291 1.00 12.84 C +ATOM 736 CG TYR A 49 46.704 0.108 -5.065 1.00 16.10 C +ATOM 737 CD1 TYR A 49 47.725 0.416 -5.959 1.00 16.12 C +ATOM 738 CD2 TYR A 49 46.954 -0.690 -3.964 1.00 16.09 C +ATOM 739 CE1 TYR A 49 48.993 -0.097 -5.745 1.00 18.32 C +ATOM 740 CE2 TYR A 49 48.215 -1.188 -3.746 1.00 19.07 C +ATOM 741 CZ TYR A 49 49.223 -0.893 -4.638 1.00 21.31 C +ATOM 742 OH TYR A 49 50.483 -1.399 -4.366 1.00 24.31 O +ATOM 743 H TYR A 49 46.726 3.069 -4.903 1.00 14.50 H +ATOM 744 HA TYR A 49 43.868 2.198 -4.901 1.00 13.53 H +ATOM 745 HB3 TYR A 49 45.080 0.643 -6.361 1.00 12.84 H +ATOM 746 HB2 TYR A 49 44.576 -0.142 -4.953 1.00 12.84 H +ATOM 747 HD1 TYR A 49 47.525 1.050 -6.810 1.00 16.12 H +ATOM 748 HD2 TYR A 49 46.157 -0.923 -3.274 1.00 16.09 H +ATOM 749 HE1 TYR A 49 49.790 0.126 -6.439 1.00 18.32 H +ATOM 750 HE2 TYR A 49 48.410 -1.805 -2.881 1.00 19.07 H +ATOM 751 HH TYR A 49 51.136 -0.933 -4.894 1.00 24.31 H +ATOM 752 N TYR A 50 44.184 1.281 -2.421 1.00 11.75 N +ATOM 753 CA TYR A 50 44.110 1.219 -0.969 1.00 12.12 C +ATOM 754 C TYR A 50 44.398 2.576 -0.326 1.00 11.46 C +ATOM 755 O TYR A 50 45.288 2.754 0.521 1.00 14.44 O +ATOM 756 CB TYR A 50 45.089 0.171 -0.428 1.00 13.90 C +ATOM 757 CG TYR A 50 44.695 -0.322 0.961 1.00 13.86 C +ATOM 758 CD1 TYR A 50 43.463 -0.922 1.148 1.00 16.04 C +ATOM 759 CD2 TYR A 50 45.540 -0.119 2.030 1.00 13.55 C +ATOM 760 CE1 TYR A 50 43.061 -1.316 2.413 1.00 15.76 C +ATOM 761 CE2 TYR A 50 45.153 -0.510 3.299 1.00 18.20 C +ATOM 762 CZ TYR A 50 43.918 -1.100 3.477 1.00 18.35 C +ATOM 763 OH TYR A 50 43.540 -1.464 4.751 1.00 20.02 O +ATOM 764 H TYR A 50 43.462 0.750 -2.887 1.00 11.75 H +ATOM 765 HA TYR A 50 43.100 0.918 -0.692 1.00 12.12 H +ATOM 766 HB3 TYR A 50 46.092 0.597 -0.391 1.00 13.90 H +ATOM 767 HB2 TYR A 50 45.131 -0.675 -1.114 1.00 13.90 H +ATOM 768 HD1 TYR A 50 42.808 -1.086 0.305 1.00 16.04 H +ATOM 769 HD2 TYR A 50 46.503 0.345 1.877 1.00 13.55 H +ATOM 770 HE1 TYR A 50 42.096 -1.781 2.553 1.00 15.76 H +ATOM 771 HE2 TYR A 50 45.815 -0.353 4.138 1.00 18.20 H +ATOM 772 HH TYR A 50 44.319 -1.697 5.262 1.00 20.02 H +ATOM 773 N THR A 51 43.634 3.551 -0.810 1.00 11.83 N +ATOM 774 CA THR A 51 43.632 4.957 -0.398 1.00 14.38 C +ATOM 775 C THR A 51 44.899 5.791 -0.672 1.00 13.46 C +ATOM 776 O THR A 51 44.758 6.922 -1.138 1.00 14.48 O +ATOM 777 CB THR A 51 43.291 5.077 1.150 1.00 15.04 C +ATOM 778 OG1 THR A 51 42.053 4.401 1.395 1.00 15.78 O +ATOM 779 CG2 THR A 51 43.115 6.520 1.590 1.00 9.97 C +ATOM 780 H THR A 51 42.967 3.353 -1.542 1.00 11.83 H +ATOM 781 HA THR A 51 42.817 5.440 -0.937 1.00 14.38 H +ATOM 782 HB THR A 51 44.083 4.611 1.736 1.00 15.04 H +ATOM 783 HG1 THR A 51 42.138 3.477 1.148 1.00 15.78 H +ATOM 784 HG21 THR A 51 42.883 6.550 2.655 1.00 9.97 H +ATOM 785 HG22 THR A 51 44.036 7.072 1.403 1.00 9.97 H +ATOM 786 HG23 THR A 51 42.299 6.975 1.028 1.00 9.97 H +ATOM 787 N THR A 52 46.116 5.288 -0.505 1.00 13.99 N +ATOM 788 CA THR A 52 47.317 6.079 -0.485 1.00 14.93 C +ATOM 789 C THR A 52 48.429 5.539 -1.377 1.00 18.36 C +ATOM 790 O THR A 52 49.440 6.227 -1.599 1.00 18.54 O +ATOM 791 CB THR A 52 47.878 6.171 0.995 1.00 18.78 C +ATOM 792 OG1 THR A 52 48.136 4.817 1.405 1.00 22.45 O +ATOM 793 CG2 THR A 52 46.936 6.811 2.020 1.00 14.49 C +ATOM 794 H THR A 52 46.239 4.293 -0.382 1.00 13.99 H +ATOM 795 HA THR A 52 47.069 7.086 -0.820 1.00 14.93 H +ATOM 796 HB THR A 52 48.818 6.723 0.984 1.00 18.78 H +ATOM 797 HG1 THR A 52 48.780 4.420 0.814 1.00 22.45 H +ATOM 798 HG21 THR A 52 47.417 6.824 2.998 1.00 14.49 H +ATOM 799 HG22 THR A 52 46.706 7.832 1.715 1.00 14.49 H +ATOM 800 HG23 THR A 52 46.014 6.233 2.077 1.00 14.49 H +ATOM 801 N THR A 53 48.340 4.300 -1.859 1.00 17.51 N +ATOM 802 CA THR A 53 49.488 3.702 -2.517 1.00 21.41 C +ATOM 803 C THR A 53 49.481 4.003 -4.003 1.00 20.48 C +ATOM 804 O THR A 53 48.522 3.700 -4.729 1.00 20.33 O +ATOM 805 CB THR A 53 49.489 2.181 -2.285 1.00 21.12 C +ATOM 806 OG1 THR A 53 49.285 1.943 -0.898 1.00 24.75 O +ATOM 807 CG2 THR A 53 50.810 1.564 -2.701 1.00 22.51 C +ATOM 808 H THR A 53 47.478 3.783 -1.766 1.00 17.51 H +ATOM 809 HA THR A 53 50.395 4.121 -2.082 1.00 21.41 H +ATOM 810 HB THR A 53 48.679 1.726 -2.855 1.00 21.12 H +ATOM 811 HG1 THR A 53 49.257 0.997 -0.736 1.00 24.75 H +ATOM 812 HG21 THR A 53 50.781 0.489 -2.525 1.00 22.51 H +ATOM 813 HG22 THR A 53 50.983 1.754 -3.760 1.00 22.51 H +ATOM 814 HG23 THR A 53 51.618 2.005 -2.117 1.00 22.51 H +ATOM 815 N LEU A 54 50.565 4.641 -4.426 1.00 20.21 N +ATOM 816 CA LEU A 54 50.749 4.961 -5.828 1.00 18.78 C +ATOM 817 C LEU A 54 51.016 3.720 -6.649 1.00 18.12 C +ATOM 818 O LEU A 54 51.720 2.783 -6.237 1.00 17.10 O +ATOM 819 CB LEU A 54 51.899 5.926 -5.966 1.00 20.24 C +ATOM 820 CG LEU A 54 51.594 7.413 -6.064 1.00 22.05 C +ATOM 821 CD1 LEU A 54 50.676 7.896 -4.967 1.00 25.64 C +ATOM 822 CD2 LEU A 54 52.901 8.132 -5.943 1.00 23.33 C +ATOM 823 H LEU A 54 51.280 4.913 -3.767 1.00 20.21 H +ATOM 824 HA LEU A 54 49.843 5.440 -6.200 1.00 18.78 H +ATOM 825 HB3 LEU A 54 52.511 5.631 -6.818 1.00 20.24 H +ATOM 826 HB2 LEU A 54 52.603 5.760 -5.151 1.00 20.24 H +ATOM 827 HG LEU A 54 51.147 7.630 -7.034 1.00 22.05 H +ATOM 828 HD11 LEU A 54 50.494 8.964 -5.089 1.00 25.64 H +ATOM 829 HD12 LEU A 54 49.729 7.358 -5.022 1.00 25.64 H +ATOM 830 HD13 LEU A 54 51.141 7.715 -3.998 1.00 25.64 H +ATOM 831 HD21 LEU A 54 52.732 9.207 -6.008 1.00 23.33 H +ATOM 832 HD22 LEU A 54 53.360 7.894 -4.983 1.00 23.33 H +ATOM 833 HD23 LEU A 54 53.564 7.820 -6.750 1.00 23.33 H +ATOM 834 N ALA A 55 50.381 3.676 -7.800 1.00 21.22 N +ATOM 835 CA ALA A 55 50.622 2.569 -8.705 1.00 25.35 C +ATOM 836 C ALA A 55 52.008 2.774 -9.322 1.00 26.38 C +ATOM 837 O ALA A 55 52.571 3.879 -9.324 1.00 23.35 O +ATOM 838 CB ALA A 55 49.598 2.561 -9.824 1.00 24.22 C +ATOM 839 H ALA A 55 49.732 4.409 -8.047 1.00 21.22 H +ATOM 840 HA ALA A 55 50.590 1.625 -8.160 1.00 25.35 H +ATOM 841 HB1 ALA A 55 49.796 1.723 -10.492 1.00 24.22 H +ATOM 842 HB2 ALA A 55 48.598 2.460 -9.402 1.00 24.22 H +ATOM 843 HB3 ALA A 55 49.663 3.494 -10.383 1.00 24.22 H +ATOM 844 N ASP A 56 52.596 1.709 -9.855 1.00 31.28 N +ATOM 845 CA ASP A 56 53.896 1.798 -10.495 1.00 34.34 C +ATOM 846 C ASP A 56 53.881 2.765 -11.649 1.00 32.17 C +ATOM 847 O ASP A 56 52.988 2.783 -12.497 1.00 32.66 O +ATOM 848 CB ASP A 56 54.354 0.462 -11.047 1.00 40.31 C +ATOM 849 CG ASP A 56 54.509 -0.610 -9.987 1.00 44.53 C +ATOM 850 OD1 ASP A 56 55.154 -0.370 -8.962 1.00 45.66 O +ATOM 851 OD2 ASP A 56 53.957 -1.689 -10.206 1.00 50.20 O +ATOM 852 H ASP A 56 52.138 0.809 -9.821 1.00 31.28 H +ATOM 853 HA ASP A 56 54.625 2.141 -9.761 1.00 34.34 H +ATOM 854 HB3 ASP A 56 55.301 0.592 -11.571 1.00 40.31 H +ATOM 855 HB2 ASP A 56 53.648 0.122 -11.804 1.00 40.31 H +ATOM 856 N GLY A 57 54.841 3.664 -11.546 1.00 33.01 N +ATOM 857 CA GLY A 57 55.022 4.636 -12.594 1.00 32.92 C +ATOM 858 C GLY A 57 54.224 5.897 -12.358 1.00 31.87 C +ATOM 859 O GLY A 57 54.456 6.832 -13.118 1.00 36.41 O +ATOM 860 H GLY A 57 55.444 3.668 -10.736 1.00 33.01 H +ATOM 861 HA3 GLY A 57 54.732 4.197 -13.549 1.00 32.92 H +ATOM 862 HA2 GLY A 57 56.080 4.887 -12.677 1.00 32.92 H +ATOM 863 N VAL A 58 53.322 6.024 -11.373 1.00 29.73 N +ATOM 864 CA VAL A 58 52.590 7.277 -11.191 1.00 26.19 C +ATOM 865 C VAL A 58 53.529 8.268 -10.503 1.00 26.20 C +ATOM 866 O VAL A 58 54.196 7.909 -9.527 1.00 28.24 O +ATOM 867 CB VAL A 58 51.322 7.027 -10.341 1.00 24.21 C +ATOM 868 CG1 VAL A 58 50.587 8.323 -10.026 1.00 21.05 C +ATOM 869 CG2 VAL A 58 50.441 6.071 -11.110 1.00 22.34 C +ATOM 870 H VAL A 58 53.143 5.250 -10.749 1.00 29.73 H +ATOM 871 HA VAL A 58 52.300 7.671 -12.165 1.00 26.19 H +ATOM 872 HB VAL A 58 51.616 6.555 -9.404 1.00 24.21 H +ATOM 873 HG11 VAL A 58 49.703 8.104 -9.428 1.00 21.05 H +ATOM 874 HG12 VAL A 58 51.246 8.989 -9.469 1.00 21.05 H +ATOM 875 HG13 VAL A 58 50.285 8.805 -10.956 1.00 21.05 H +ATOM 876 HG21 VAL A 58 49.535 5.872 -10.538 1.00 22.34 H +ATOM 877 HG22 VAL A 58 50.175 6.514 -12.070 1.00 22.34 H +ATOM 878 HG23 VAL A 58 50.977 5.137 -11.278 1.00 22.34 H +ATOM 879 N PRO A 59 53.691 9.511 -10.969 1.00 26.41 N +ATOM 880 CA PRO A 59 54.537 10.507 -10.317 1.00 25.68 C +ATOM 881 C PRO A 59 54.057 10.883 -8.929 1.00 25.48 C +ATOM 882 O PRO A 59 52.854 10.972 -8.664 1.00 25.36 O +ATOM 883 CB PRO A 59 54.543 11.657 -11.295 1.00 27.13 C +ATOM 884 CG PRO A 59 53.234 11.513 -12.036 1.00 26.04 C +ATOM 885 CD PRO A 59 53.135 10.006 -12.223 1.00 26.42 C +ATOM 886 HA PRO A 59 55.549 10.109 -10.240 1.00 25.68 H +ATOM 887 HB3 PRO A 59 55.369 11.531 -11.995 1.00 27.13 H +ATOM 888 HB2 PRO A 59 54.544 12.598 -10.745 1.00 27.13 H +ATOM 889 HG3 PRO A 59 53.320 11.991 -13.012 1.00 26.04 H +ATOM 890 HG2 PRO A 59 52.420 11.849 -11.394 1.00 26.04 H +ATOM 891 HD2 PRO A 59 52.085 9.721 -12.286 1.00 26.42 H +ATOM 892 HD3 PRO A 59 53.783 9.704 -13.046 1.00 26.42 H +ATOM 893 N SER A 60 55.000 11.252 -8.078 1.00 25.05 N +ATOM 894 CA SER A 60 54.732 11.524 -6.683 1.00 29.16 C +ATOM 895 C SER A 60 53.931 12.776 -6.429 1.00 28.02 C +ATOM 896 O SER A 60 53.564 13.050 -5.283 1.00 29.44 O +ATOM 897 CB SER A 60 56.033 11.634 -5.935 1.00 32.00 C +ATOM 898 OG SER A 60 56.889 12.562 -6.605 1.00 38.54 O +ATOM 899 H SER A 60 55.954 11.354 -8.394 1.00 25.05 H +ATOM 900 HA SER A 60 54.178 10.679 -6.274 1.00 29.16 H +ATOM 901 HB3 SER A 60 56.515 10.657 -5.899 1.00 32.00 H +ATOM 902 HB2 SER A 60 55.840 11.985 -4.921 1.00 32.00 H +ATOM 903 HG SER A 60 57.425 13.028 -5.959 1.00 38.54 H +ATOM 904 N ARG A 61 53.664 13.582 -7.461 1.00 25.65 N +ATOM 905 CA ARG A 61 52.830 14.741 -7.245 1.00 25.42 C +ATOM 906 C ARG A 61 51.379 14.332 -6.951 1.00 24.58 C +ATOM 907 O ARG A 61 50.608 15.184 -6.518 1.00 24.96 O +ATOM 908 CB ARG A 61 52.933 15.671 -8.478 1.00 26.13 C +ATOM 909 CG ARG A 61 52.361 15.245 -9.812 1.00 25.20 C +ATOM 910 CD ARG A 61 52.591 16.347 -10.844 1.00 23.24 C +ATOM 911 NE ARG A 61 52.044 15.872 -12.099 1.00 22.46 N +ATOM 912 CZ ARG A 61 52.795 15.182 -12.949 1.00 22.97 C +ATOM 913 NH1 ARG A 61 54.106 15.046 -12.763 1.00 25.31 N +ATOM 914 NH2 ARG A 61 52.273 14.691 -14.055 1.00 21.85 N +ATOM 915 H ARG A 61 54.044 13.376 -8.374 1.00 25.65 H +ATOM 916 HA ARG A 61 53.214 15.280 -6.379 1.00 25.42 H +ATOM 917 HB3 ARG A 61 53.975 15.959 -8.617 1.00 26.13 H +ATOM 918 HB2 ARG A 61 52.529 16.649 -8.217 1.00 26.13 H +ATOM 919 HG3 ARG A 61 51.291 15.063 -9.707 1.00 25.20 H +ATOM 920 HG2 ARG A 61 52.853 14.330 -10.142 1.00 25.20 H +ATOM 921 HD3 ARG A 61 53.661 16.520 -10.957 1.00 23.24 H +ATOM 922 HD2 ARG A 61 52.062 17.249 -10.536 1.00 23.24 H +ATOM 923 HE ARG A 61 51.080 16.071 -12.324 1.00 22.46 H +ATOM 924 HH12 ARG A 61 54.657 14.516 -13.423 1.00 25.31 H +ATOM 925 HH11 ARG A 61 54.549 15.472 -11.962 1.00 25.31 H +ATOM 926 HH22 ARG A 61 52.851 14.167 -14.697 1.00 21.85 H +ATOM 927 HH21 ARG A 61 51.295 14.839 -14.261 1.00 21.85 H +ATOM 928 N PHE A 62 50.960 13.080 -7.189 1.00 24.24 N +ATOM 929 CA PHE A 62 49.635 12.593 -6.814 1.00 24.53 C +ATOM 930 C PHE A 62 49.649 12.048 -5.394 1.00 22.86 C +ATOM 931 O PHE A 62 50.552 11.269 -5.053 1.00 21.06 O +ATOM 932 CB PHE A 62 49.175 11.466 -7.738 1.00 22.18 C +ATOM 933 CG PHE A 62 48.879 11.940 -9.150 1.00 23.56 C +ATOM 934 CD1 PHE A 62 49.888 11.973 -10.103 1.00 23.95 C +ATOM 935 CD2 PHE A 62 47.602 12.340 -9.485 1.00 22.50 C +ATOM 936 CE1 PHE A 62 49.615 12.407 -11.389 1.00 23.49 C +ATOM 937 CE2 PHE A 62 47.333 12.773 -10.779 1.00 23.69 C +ATOM 938 CZ PHE A 62 48.336 12.807 -11.732 1.00 23.75 C +ATOM 939 H PHE A 62 51.572 12.422 -7.649 1.00 24.24 H +ATOM 940 HA PHE A 62 48.923 13.416 -6.873 1.00 24.53 H +ATOM 941 HB3 PHE A 62 48.285 10.996 -7.320 1.00 22.18 H +ATOM 942 HB2 PHE A 62 49.939 10.689 -7.770 1.00 22.18 H +ATOM 943 HD1 PHE A 62 50.888 11.660 -9.842 1.00 23.95 H +ATOM 944 HD2 PHE A 62 46.817 12.316 -8.744 1.00 22.50 H +ATOM 945 HE1 PHE A 62 50.402 12.434 -12.128 1.00 23.49 H +ATOM 946 HE2 PHE A 62 46.335 13.086 -11.047 1.00 23.69 H +ATOM 947 HZ PHE A 62 48.126 13.142 -12.737 1.00 23.75 H +ATOM 948 N SER A 63 48.756 12.467 -4.500 1.00 20.00 N +ATOM 949 CA SER A 63 48.712 11.801 -3.214 1.00 21.99 C +ATOM 950 C SER A 63 47.282 11.556 -2.770 1.00 20.98 C +ATOM 951 O SER A 63 46.380 12.370 -3.008 1.00 21.23 O +ATOM 952 CB SER A 63 49.434 12.627 -2.159 1.00 22.73 C +ATOM 953 OG SER A 63 48.798 13.862 -1.914 1.00 24.64 O +ATOM 954 H SER A 63 48.133 13.229 -4.727 1.00 20.00 H +ATOM 955 HA SER A 63 49.216 10.839 -3.305 1.00 21.99 H +ATOM 956 HB3 SER A 63 50.461 12.805 -2.478 1.00 22.73 H +ATOM 957 HB2 SER A 63 49.492 12.059 -1.231 1.00 22.73 H +ATOM 958 HG SER A 63 47.902 13.706 -1.606 1.00 24.64 H +ATOM 959 N GLY A 64 47.033 10.412 -2.172 1.00 19.61 N +ATOM 960 CA GLY A 64 45.697 10.112 -1.714 1.00 20.62 C +ATOM 961 C GLY A 64 45.684 10.082 -0.202 1.00 16.43 C +ATOM 962 O GLY A 64 46.710 9.777 0.409 1.00 15.66 O +ATOM 963 H GLY A 64 47.776 9.743 -2.033 1.00 19.61 H +ATOM 964 HA3 GLY A 64 45.391 9.139 -2.099 1.00 20.62 H +ATOM 965 HA2 GLY A 64 45.011 10.881 -2.068 1.00 20.62 H +ATOM 966 N SER A 65 44.548 10.405 0.390 1.00 17.93 N +ATOM 967 CA SER A 65 44.385 10.340 1.829 1.00 17.39 C +ATOM 968 C SER A 65 42.905 10.031 2.109 1.00 18.81 C +ATOM 969 O SER A 65 42.085 9.995 1.175 1.00 15.83 O +ATOM 970 CB SER A 65 44.820 11.684 2.432 1.00 18.88 C +ATOM 971 OG SER A 65 43.880 12.693 2.064 1.00 23.15 O +ATOM 972 H SER A 65 43.759 10.709 -0.163 1.00 17.93 H +ATOM 973 HA SER A 65 45.007 9.541 2.231 1.00 17.39 H +ATOM 974 HB3 SER A 65 45.806 11.950 2.052 1.00 18.88 H +ATOM 975 HB2 SER A 65 44.856 11.600 3.518 1.00 18.88 H +ATOM 976 HG SER A 65 43.011 12.458 2.397 1.00 23.15 H +ATOM 977 N GLY A 66 42.539 9.763 3.368 1.00 20.23 N +ATOM 978 CA GLY A 66 41.181 9.458 3.760 1.00 22.49 C +ATOM 979 C GLY A 66 41.152 8.249 4.685 1.00 28.22 C +ATOM 980 O GLY A 66 42.145 7.512 4.854 1.00 28.22 O +ATOM 981 H GLY A 66 43.228 9.767 4.106 1.00 20.23 H +ATOM 982 HA3 GLY A 66 40.585 9.250 2.872 1.00 22.49 H +ATOM 983 HA2 GLY A 66 40.749 10.318 4.273 1.00 22.49 H +ATOM 984 N SER A 67 39.996 8.053 5.314 1.00 30.16 N +ATOM 985 CA SER A 67 39.734 6.943 6.229 1.00 30.07 C +ATOM 986 C SER A 67 38.235 6.846 6.355 1.00 29.63 C +ATOM 987 O SER A 67 37.540 7.851 6.124 1.00 29.00 O +ATOM 988 CB SER A 67 40.234 7.181 7.652 1.00 32.93 C +ATOM 989 OG SER A 67 41.638 7.348 7.764 1.00 41.97 O +ATOM 990 H SER A 67 39.229 8.694 5.172 1.00 30.16 H +ATOM 991 HA SER A 67 40.144 6.015 5.831 1.00 30.07 H +ATOM 992 HB3 SER A 67 39.917 6.355 8.289 1.00 32.93 H +ATOM 993 HB2 SER A 67 39.732 8.054 8.070 1.00 32.93 H +ATOM 994 HG SER A 67 41.913 8.105 7.242 1.00 41.97 H +ATOM 995 N GLY A 68 37.727 5.682 6.756 1.00 28.45 N +ATOM 996 CA GLY A 68 36.305 5.548 7.014 1.00 27.09 C +ATOM 997 C GLY A 68 35.470 5.845 5.789 1.00 24.24 C +ATOM 998 O GLY A 68 35.368 4.982 4.904 1.00 19.45 O +ATOM 999 H GLY A 68 38.332 4.884 6.883 1.00 28.45 H +ATOM 1000 HA3 GLY A 68 36.018 6.223 7.821 1.00 27.09 H +ATOM 1001 HA2 GLY A 68 36.093 4.536 7.360 1.00 27.09 H +ATOM 1002 N THR A 69 34.939 7.075 5.731 1.00 23.38 N +ATOM 1003 CA THR A 69 34.056 7.478 4.630 1.00 21.76 C +ATOM 1004 C THR A 69 34.433 8.720 3.827 1.00 20.29 C +ATOM 1005 O THR A 69 33.772 8.922 2.815 1.00 18.12 O +ATOM 1006 CB THR A 69 32.598 7.655 5.147 1.00 23.20 C +ATOM 1007 OG1 THR A 69 32.662 8.632 6.178 1.00 30.93 O +ATOM 1008 CG2 THR A 69 31.992 6.392 5.738 1.00 19.83 C +ATOM 1009 H THR A 69 35.144 7.748 6.456 1.00 23.38 H +ATOM 1010 HA THR A 69 34.037 6.646 3.926 1.00 21.76 H +ATOM 1011 HB THR A 69 31.965 8.019 4.338 1.00 23.20 H +ATOM 1012 HG1 THR A 69 31.783 8.780 6.534 1.00 30.93 H +ATOM 1013 HG21 THR A 69 30.976 6.599 6.075 1.00 19.83 H +ATOM 1014 HG22 THR A 69 31.971 5.609 4.980 1.00 19.83 H +ATOM 1015 HG23 THR A 69 32.594 6.061 6.584 1.00 19.83 H +ATOM 1016 N GLN A 70 35.382 9.622 4.141 1.00 24.85 N +ATOM 1017 CA GLN A 70 35.732 10.690 3.200 1.00 28.23 C +ATOM 1018 C GLN A 70 37.178 10.440 2.735 1.00 25.17 C +ATOM 1019 O GLN A 70 38.049 9.955 3.488 1.00 23.71 O +ATOM 1020 CB GLN A 70 35.589 12.073 3.873 1.00 34.15 C +ATOM 1021 CG GLN A 70 35.479 13.217 2.843 1.00 41.90 C +ATOM 1022 CD GLN A 70 34.252 14.143 2.943 1.00 46.67 C +ATOM 1023 OE1 GLN A 70 33.148 13.820 2.504 1.00 47.96 O +ATOM 1024 NE2 GLN A 70 34.303 15.342 3.513 1.00 49.29 N +ATOM 1025 H GLN A 70 35.858 9.565 5.030 1.00 24.85 H +ATOM 1026 HA GLN A 70 35.066 10.641 2.339 1.00 28.23 H +ATOM 1027 HB3 GLN A 70 36.447 12.251 4.522 1.00 34.15 H +ATOM 1028 HB2 GLN A 70 34.706 12.075 4.513 1.00 34.15 H +ATOM 1029 HG3 GLN A 70 35.532 12.800 1.837 1.00 41.90 H +ATOM 1030 HG2 GLN A 70 36.386 13.820 2.879 1.00 41.90 H +ATOM 1031 HE22 GLN A 70 33.473 15.916 3.556 1.00 49.29 H +ATOM 1032 HE21 GLN A 70 35.172 15.679 3.903 1.00 49.29 H +ATOM 1033 N TYR A 71 37.387 10.587 1.427 1.00 20.47 N +ATOM 1034 CA TYR A 71 38.677 10.307 0.810 1.00 20.10 C +ATOM 1035 C TYR A 71 39.035 11.419 -0.177 1.00 19.88 C +ATOM 1036 O TYR A 71 38.129 11.992 -0.787 1.00 21.04 O +ATOM 1037 CB TYR A 71 38.593 8.935 0.094 1.00 17.92 C +ATOM 1038 CG TYR A 71 38.367 7.738 1.034 1.00 18.91 C +ATOM 1039 CD1 TYR A 71 37.096 7.388 1.465 1.00 15.20 C +ATOM 1040 CD2 TYR A 71 39.465 7.030 1.509 1.00 17.78 C +ATOM 1041 CE1 TYR A 71 36.945 6.338 2.365 1.00 14.87 C +ATOM 1042 CE2 TYR A 71 39.309 5.985 2.400 1.00 16.85 C +ATOM 1043 CZ TYR A 71 38.047 5.652 2.825 1.00 14.47 C +ATOM 1044 OH TYR A 71 37.909 4.606 3.715 1.00 13.37 O +ATOM 1045 H TYR A 71 36.637 10.902 0.828 1.00 20.47 H +ATOM 1046 HA TYR A 71 39.441 10.259 1.586 1.00 20.10 H +ATOM 1047 HB3 TYR A 71 39.503 8.773 -0.484 1.00 17.92 H +ATOM 1048 HB2 TYR A 71 37.798 8.964 -0.651 1.00 17.92 H +ATOM 1049 HD1 TYR A 71 36.235 7.929 1.102 1.00 15.20 H +ATOM 1050 HD2 TYR A 71 40.460 7.294 1.182 1.00 17.78 H +ATOM 1051 HE1 TYR A 71 35.960 6.057 2.707 1.00 14.87 H +ATOM 1052 HE2 TYR A 71 40.174 5.442 2.753 1.00 16.85 H +ATOM 1053 HH TYR A 71 37.060 4.672 4.158 1.00 13.37 H +ATOM 1054 N SER A 72 40.316 11.757 -0.355 1.00 18.65 N +ATOM 1055 CA SER A 72 40.789 12.799 -1.277 1.00 20.16 C +ATOM 1056 C SER A 72 41.982 12.393 -2.136 1.00 17.13 C +ATOM 1057 O SER A 72 42.869 11.635 -1.709 1.00 15.08 O +ATOM 1058 CB SER A 72 41.257 14.031 -0.541 1.00 18.85 C +ATOM 1059 OG SER A 72 40.221 14.371 0.325 1.00 28.48 O +ATOM 1060 H SER A 72 41.040 11.283 0.165 1.00 18.65 H +ATOM 1061 HA SER A 72 39.967 13.079 -1.935 1.00 20.16 H +ATOM 1062 HB3 SER A 72 41.413 14.841 -1.254 1.00 18.85 H +ATOM 1063 HB2 SER A 72 42.148 13.790 0.038 1.00 18.85 H +ATOM 1064 HG SER A 72 40.058 13.644 0.931 1.00 28.48 H +ATOM 1065 N LEU A 73 41.992 12.942 -3.345 1.00 15.31 N +ATOM 1066 CA LEU A 73 43.145 12.834 -4.211 1.00 15.05 C +ATOM 1067 C LEU A 73 43.669 14.253 -4.315 1.00 16.36 C +ATOM 1068 O LEU A 73 42.879 15.151 -4.651 1.00 16.33 O +ATOM 1069 CB LEU A 73 42.752 12.328 -5.606 1.00 16.54 C +ATOM 1070 CG LEU A 73 43.846 12.135 -6.680 1.00 19.81 C +ATOM 1071 CD1 LEU A 73 44.737 10.951 -6.355 1.00 19.97 C +ATOM 1072 CD2 LEU A 73 43.177 11.911 -8.010 1.00 17.25 C +ATOM 1073 H LEU A 73 41.183 13.448 -3.677 1.00 15.31 H +ATOM 1074 HA LEU A 73 43.896 12.182 -3.766 1.00 15.05 H +ATOM 1075 HB3 LEU A 73 41.969 12.970 -6.009 1.00 16.54 H +ATOM 1076 HB2 LEU A 73 42.190 11.400 -5.502 1.00 16.54 H +ATOM 1077 HG LEU A 73 44.456 13.037 -6.734 1.00 19.81 H +ATOM 1078 HD11 LEU A 73 45.496 10.843 -7.130 1.00 19.97 H +ATOM 1079 HD12 LEU A 73 45.222 11.114 -5.393 1.00 19.97 H +ATOM 1080 HD13 LEU A 73 44.134 10.044 -6.308 1.00 19.97 H +ATOM 1081 HD21 LEU A 73 43.936 11.773 -8.780 1.00 17.25 H +ATOM 1082 HD22 LEU A 73 42.549 11.022 -7.956 1.00 17.25 H +ATOM 1083 HD23 LEU A 73 42.562 12.776 -8.258 1.00 17.25 H +ATOM 1084 N LYS A 74 44.944 14.507 -4.052 1.00 18.46 N +ATOM 1085 CA LYS A 74 45.509 15.841 -4.205 1.00 21.24 C +ATOM 1086 C LYS A 74 46.557 15.747 -5.321 1.00 20.16 C +ATOM 1087 O LYS A 74 47.283 14.753 -5.448 1.00 15.72 O +ATOM 1088 CB LYS A 74 46.155 16.284 -2.907 1.00 23.35 C +ATOM 1089 CG LYS A 74 46.435 17.788 -2.961 1.00 32.39 C +ATOM 1090 CD LYS A 74 47.103 18.382 -1.724 1.00 36.22 C +ATOM 1091 CE LYS A 74 48.414 17.632 -1.468 1.00 43.62 C +ATOM 1092 NZ LYS A 74 49.353 18.358 -0.626 1.00 46.47 N +ATOM 1093 H LYS A 74 45.552 13.765 -3.736 1.00 18.46 H +ATOM 1094 HA LYS A 74 44.727 16.545 -4.489 1.00 21.24 H +ATOM 1095 HB3 LYS A 74 47.092 15.745 -2.765 1.00 23.35 H +ATOM 1096 HB2 LYS A 74 45.484 16.069 -2.076 1.00 23.35 H +ATOM 1097 HG3 LYS A 74 45.505 18.320 -3.158 1.00 32.39 H +ATOM 1098 HG2 LYS A 74 47.042 18.010 -3.839 1.00 32.39 H +ATOM 1099 HD3 LYS A 74 46.444 18.265 -0.864 1.00 36.22 H +ATOM 1100 HD2 LYS A 74 47.316 19.437 -1.898 1.00 36.22 H +ATOM 1101 HE3 LYS A 74 48.889 17.398 -2.421 1.00 43.62 H +ATOM 1102 HE2 LYS A 74 48.195 16.665 -1.015 1.00 43.62 H +ATOM 1103 HZ1 LYS A 74 48.930 18.537 0.274 1.00 46.47 H +ATOM 1104 HZ2 LYS A 74 50.190 17.806 -0.501 1.00 46.47 H +ATOM 1105 HZ3 LYS A 74 49.592 19.235 -1.066 1.00 46.47 H +ATOM 1106 N ILE A 75 46.615 16.753 -6.192 1.00 21.74 N +ATOM 1107 CA ILE A 75 47.587 16.777 -7.284 1.00 21.75 C +ATOM 1108 C ILE A 75 48.331 18.073 -7.058 1.00 20.37 C +ATOM 1109 O ILE A 75 47.741 19.156 -7.133 1.00 20.19 O +ATOM 1110 CB ILE A 75 46.924 16.816 -8.684 1.00 21.33 C +ATOM 1111 CG1 ILE A 75 45.858 15.729 -8.844 1.00 21.60 C +ATOM 1112 CG2 ILE A 75 48.024 16.572 -9.723 1.00 23.20 C +ATOM 1113 CD1 ILE A 75 44.995 15.877 -10.092 1.00 21.63 C +ATOM 1114 H ILE A 75 45.975 17.530 -6.109 1.00 21.74 H +ATOM 1115 HA ILE A 75 48.267 15.929 -7.208 1.00 21.75 H +ATOM 1116 HB ILE A 75 46.475 17.796 -8.849 1.00 21.33 H +ATOM 1117 HG13 ILE A 75 45.218 15.718 -7.962 1.00 21.60 H +ATOM 1118 HG12 ILE A 75 46.338 14.750 -8.851 1.00 21.60 H +ATOM 1119 HG21 ILE A 75 47.591 16.593 -10.723 1.00 23.20 H +ATOM 1120 HG22 ILE A 75 48.782 17.350 -9.640 1.00 23.20 H +ATOM 1121 HG23 ILE A 75 48.482 15.599 -9.546 1.00 23.20 H +ATOM 1122 HD11 ILE A 75 44.266 15.067 -10.129 1.00 21.63 H +ATOM 1123 HD12 ILE A 75 44.473 16.834 -10.062 1.00 21.63 H +ATOM 1124 HD13 ILE A 75 45.628 15.836 -10.979 1.00 21.63 H +ATOM 1125 N ASN A 76 49.595 17.940 -6.709 1.00 19.47 N +ATOM 1126 CA ASN A 76 50.425 19.092 -6.461 1.00 27.44 C +ATOM 1127 C ASN A 76 51.153 19.528 -7.700 1.00 27.44 C +ATOM 1128 O ASN A 76 51.701 18.660 -8.374 1.00 27.99 O +ATOM 1129 CB ASN A 76 51.458 18.804 -5.435 1.00 32.79 C +ATOM 1130 CG ASN A 76 50.820 18.815 -4.073 1.00 40.51 C +ATOM 1131 OD1 ASN A 76 50.267 19.921 -3.589 1.00 43.74 O +ATOM 1132 ND2 ASN A 76 50.803 17.786 -3.414 1.00 43.21 N +ATOM 1133 H ASN A 76 49.998 17.019 -6.611 1.00 19.47 H +ATOM 1134 HA ASN A 76 49.798 19.912 -6.112 1.00 27.44 H +ATOM 1135 HB3 ASN A 76 52.235 19.567 -5.478 1.00 32.79 H +ATOM 1136 HB2 ASN A 76 51.894 17.823 -5.624 1.00 32.79 H +ATOM 1137 HD22 ASN A 76 50.378 17.780 -2.498 1.00 43.21 H +ATOM 1138 HD21 ASN A 76 51.214 16.942 -3.785 1.00 43.21 H +ATOM 1139 N SER A 77 51.154 20.826 -8.011 1.00 27.81 N +ATOM 1140 CA SER A 77 51.884 21.367 -9.158 1.00 28.36 C +ATOM 1141 C SER A 77 51.572 20.605 -10.448 1.00 25.09 C +ATOM 1142 O SER A 77 52.413 19.996 -11.122 1.00 25.03 O +ATOM 1143 CB SER A 77 53.382 21.326 -8.869 1.00 27.15 C +ATOM 1144 OG SER A 77 53.645 22.025 -7.659 1.00 37.30 O +ATOM 1145 H SER A 77 50.635 21.482 -7.444 1.00 27.81 H +ATOM 1146 HA SER A 77 51.589 22.407 -9.294 1.00 28.36 H +ATOM 1147 HB3 SER A 77 53.923 21.801 -9.688 1.00 27.15 H +ATOM 1148 HB2 SER A 77 53.704 20.290 -8.767 1.00 27.15 H +ATOM 1149 HG SER A 77 53.167 21.609 -6.938 1.00 37.30 H +ATOM 1150 N LEU A 78 50.293 20.670 -10.795 1.00 23.18 N +ATOM 1151 CA LEU A 78 49.834 19.923 -11.925 1.00 22.72 C +ATOM 1152 C LEU A 78 50.463 20.368 -13.250 1.00 20.40 C +ATOM 1153 O LEU A 78 50.844 21.513 -13.487 1.00 18.88 O +ATOM 1154 CB LEU A 78 48.314 20.002 -11.847 1.00 25.33 C +ATOM 1155 CG LEU A 78 47.543 21.205 -12.247 1.00 27.01 C +ATOM 1156 CD1 LEU A 78 47.161 21.058 -13.696 1.00 29.81 C +ATOM 1157 CD2 LEU A 78 46.261 21.284 -11.481 1.00 27.55 C +ATOM 1158 H LEU A 78 49.654 21.243 -10.263 1.00 23.18 H +ATOM 1159 HA LEU A 78 50.115 18.882 -11.764 1.00 22.72 H +ATOM 1160 HB3 LEU A 78 48.001 19.706 -10.846 1.00 25.33 H +ATOM 1161 HB2 LEU A 78 47.894 19.135 -12.356 1.00 25.33 H +ATOM 1162 HG LEU A 78 48.136 22.107 -12.097 1.00 27.01 H +ATOM 1163 HD11 LEU A 78 46.592 21.932 -14.013 1.00 29.81 H +ATOM 1164 HD12 LEU A 78 48.062 20.972 -14.303 1.00 29.81 H +ATOM 1165 HD13 LEU A 78 46.551 20.163 -13.823 1.00 29.81 H +ATOM 1166 HD21 LEU A 78 45.708 22.172 -11.787 1.00 27.55 H +ATOM 1167 HD22 LEU A 78 45.661 20.396 -11.683 1.00 27.55 H +ATOM 1168 HD23 LEU A 78 46.477 21.341 -10.414 1.00 27.55 H +ATOM 1169 N GLN A 79 50.597 19.388 -14.112 1.00 20.86 N +ATOM 1170 CA GLN A 79 51.378 19.454 -15.334 1.00 19.89 C +ATOM 1171 C GLN A 79 50.440 19.310 -16.511 1.00 20.91 C +ATOM 1172 O GLN A 79 49.352 18.762 -16.277 1.00 18.92 O +ATOM 1173 CB GLN A 79 52.394 18.317 -15.313 1.00 22.63 C +ATOM 1174 CG GLN A 79 53.506 18.589 -14.317 1.00 29.11 C +ATOM 1175 CD GLN A 79 54.229 19.911 -14.586 1.00 34.41 C +ATOM 1176 OE1 GLN A 79 54.900 20.069 -15.610 1.00 37.29 O +ATOM 1177 NE2 GLN A 79 54.133 20.889 -13.687 1.00 35.28 N +ATOM 1178 H GLN A 79 50.137 18.504 -13.947 1.00 20.86 H +ATOM 1179 HA GLN A 79 51.896 20.411 -15.390 1.00 19.89 H +ATOM 1180 HB3 GLN A 79 52.821 18.193 -16.308 1.00 22.63 H +ATOM 1181 HB2 GLN A 79 51.891 17.386 -15.050 1.00 22.63 H +ATOM 1182 HG3 GLN A 79 54.225 17.771 -14.345 1.00 29.11 H +ATOM 1183 HG2 GLN A 79 53.094 18.600 -13.308 1.00 29.11 H +ATOM 1184 HE22 GLN A 79 54.603 21.769 -13.846 1.00 35.28 H +ATOM 1185 HE21 GLN A 79 53.591 20.751 -12.846 1.00 35.28 H +ATOM 1186 N PRO A 80 50.792 19.697 -17.765 1.00 20.67 N +ATOM 1187 CA PRO A 80 49.943 19.572 -18.947 1.00 18.68 C +ATOM 1188 C PRO A 80 49.290 18.219 -19.126 1.00 16.92 C +ATOM 1189 O PRO A 80 48.126 18.131 -19.481 1.00 20.10 O +ATOM 1190 CB PRO A 80 50.854 19.917 -20.097 1.00 17.94 C +ATOM 1191 CG PRO A 80 51.757 20.933 -19.465 1.00 17.04 C +ATOM 1192 CD PRO A 80 52.081 20.288 -18.130 1.00 17.88 C +ATOM 1193 HA PRO A 80 49.160 20.328 -18.890 1.00 18.68 H +ATOM 1194 HB3 PRO A 80 50.271 20.397 -20.883 1.00 17.94 H +ATOM 1195 HB2 PRO A 80 51.439 19.037 -20.366 1.00 17.94 H +ATOM 1196 HG3 PRO A 80 51.197 21.852 -19.293 1.00 17.04 H +ATOM 1197 HG2 PRO A 80 52.670 21.017 -20.054 1.00 17.04 H +ATOM 1198 HD2 PRO A 80 52.809 19.492 -18.284 1.00 17.88 H +ATOM 1199 HD3 PRO A 80 52.335 21.065 -17.409 1.00 17.88 H +ATOM 1200 N GLU A 81 49.961 17.114 -18.861 1.00 21.16 N +ATOM 1201 CA GLU A 81 49.359 15.798 -19.031 1.00 22.72 C +ATOM 1202 C GLU A 81 48.428 15.364 -17.904 1.00 21.74 C +ATOM 1203 O GLU A 81 47.943 14.241 -17.937 1.00 19.48 O +ATOM 1204 CB GLU A 81 50.459 14.744 -19.214 1.00 24.49 C +ATOM 1205 CG GLU A 81 51.320 14.418 -18.009 1.00 30.75 C +ATOM 1206 CD GLU A 81 52.656 15.144 -17.931 1.00 37.51 C +ATOM 1207 OE1 GLU A 81 52.737 16.329 -18.265 1.00 38.55 O +ATOM 1208 OE2 GLU A 81 53.636 14.511 -17.529 1.00 40.74 O +ATOM 1209 H GLU A 81 50.914 17.169 -18.532 1.00 21.16 H +ATOM 1210 HA GLU A 81 48.772 15.822 -19.949 1.00 22.72 H +ATOM 1211 HB3 GLU A 81 51.102 15.038 -20.044 1.00 24.49 H +ATOM 1212 HB2 GLU A 81 50.014 13.825 -19.595 1.00 24.49 H +ATOM 1213 HG3 GLU A 81 51.492 13.342 -17.970 1.00 30.75 H +ATOM 1214 HG2 GLU A 81 50.752 14.611 -17.099 1.00 30.75 H +ATOM 1215 N ASP A 82 48.178 16.180 -16.881 1.00 21.43 N +ATOM 1216 CA ASP A 82 47.238 15.798 -15.832 1.00 19.90 C +ATOM 1217 C ASP A 82 45.808 16.176 -16.173 1.00 19.64 C +ATOM 1218 O ASP A 82 44.875 15.738 -15.490 1.00 21.79 O +ATOM 1219 CB ASP A 82 47.605 16.449 -14.482 1.00 18.78 C +ATOM 1220 CG ASP A 82 48.958 16.022 -13.960 1.00 18.75 C +ATOM 1221 OD1 ASP A 82 49.454 14.958 -14.341 1.00 20.67 O +ATOM 1222 OD2 ASP A 82 49.525 16.762 -13.168 1.00 17.23 O +ATOM 1223 H ASP A 82 48.641 17.076 -16.825 1.00 21.43 H +ATOM 1224 HA ASP A 82 47.284 14.716 -15.711 1.00 19.90 H +ATOM 1225 HB3 ASP A 82 46.840 16.208 -13.744 1.00 18.78 H +ATOM 1226 HB2 ASP A 82 47.583 17.534 -14.586 1.00 18.78 H +ATOM 1227 N PHE A 83 45.545 16.975 -17.210 1.00 19.99 N +ATOM 1228 CA PHE A 83 44.168 17.306 -17.517 1.00 22.58 C +ATOM 1229 C PHE A 83 43.470 16.061 -18.086 1.00 23.64 C +ATOM 1230 O PHE A 83 44.066 15.294 -18.858 1.00 23.92 O +ATOM 1231 CB PHE A 83 44.187 18.479 -18.486 1.00 21.64 C +ATOM 1232 CG PHE A 83 44.786 19.736 -17.851 1.00 24.98 C +ATOM 1233 CD1 PHE A 83 44.014 20.547 -17.046 1.00 25.65 C +ATOM 1234 CD2 PHE A 83 46.106 20.076 -18.074 1.00 24.85 C +ATOM 1235 CE1 PHE A 83 44.558 21.681 -16.481 1.00 26.02 C +ATOM 1236 CE2 PHE A 83 46.643 21.202 -17.506 1.00 25.75 C +ATOM 1237 CZ PHE A 83 45.869 22.008 -16.712 1.00 26.79 C +ATOM 1238 H PHE A 83 46.302 17.341 -17.770 1.00 19.99 H +ATOM 1239 HA PHE A 83 43.662 17.610 -16.600 1.00 22.58 H +ATOM 1240 HB3 PHE A 83 43.171 18.690 -18.820 1.00 21.64 H +ATOM 1241 HB2 PHE A 83 44.764 18.209 -19.370 1.00 21.64 H +ATOM 1242 HD1 PHE A 83 42.981 20.294 -16.857 1.00 25.65 H +ATOM 1243 HD2 PHE A 83 46.726 19.452 -18.701 1.00 24.85 H +ATOM 1244 HE1 PHE A 83 43.951 22.316 -15.853 1.00 26.02 H +ATOM 1245 HE2 PHE A 83 47.678 21.456 -17.684 1.00 25.75 H +ATOM 1246 HZ PHE A 83 46.290 22.899 -16.269 1.00 26.79 H +ATOM 1247 N GLY A 84 42.226 15.830 -17.660 1.00 18.74 N +ATOM 1248 CA GLY A 84 41.434 14.678 -18.044 1.00 17.98 C +ATOM 1249 C GLY A 84 40.392 14.435 -16.950 1.00 20.72 C +ATOM 1250 O GLY A 84 40.108 15.344 -16.148 1.00 18.19 O +ATOM 1251 H GLY A 84 41.779 16.480 -17.029 1.00 18.74 H +ATOM 1252 HA3 GLY A 84 42.081 13.805 -18.129 1.00 17.98 H +ATOM 1253 HA2 GLY A 84 40.928 14.883 -18.988 1.00 17.98 H +ATOM 1254 N SER A 85 39.752 13.275 -16.923 1.00 19.26 N +ATOM 1255 CA SER A 85 38.772 12.941 -15.907 1.00 16.22 C +ATOM 1256 C SER A 85 39.395 11.998 -14.912 1.00 16.49 C +ATOM 1257 O SER A 85 40.375 11.281 -15.167 1.00 15.27 O +ATOM 1258 CB SER A 85 37.589 12.270 -16.504 1.00 16.67 C +ATOM 1259 OG SER A 85 37.015 13.093 -17.485 1.00 22.39 O +ATOM 1260 H SER A 85 39.939 12.579 -17.630 1.00 19.26 H +ATOM 1261 HA SER A 85 38.454 13.850 -15.396 1.00 16.22 H +ATOM 1262 HB3 SER A 85 36.854 12.068 -15.724 1.00 16.67 H +ATOM 1263 HB2 SER A 85 37.896 11.327 -16.956 1.00 16.67 H +ATOM 1264 HG SER A 85 36.740 13.922 -17.087 1.00 22.39 H +ATOM 1265 N TYR A 86 38.843 12.045 -13.729 1.00 13.67 N +ATOM 1266 CA TYR A 86 39.315 11.279 -12.597 1.00 13.85 C +ATOM 1267 C TYR A 86 38.079 10.637 -11.949 1.00 15.29 C +ATOM 1268 O TYR A 86 36.997 11.262 -11.875 1.00 11.89 O +ATOM 1269 CB TYR A 86 40.017 12.201 -11.586 1.00 16.31 C +ATOM 1270 CG TYR A 86 41.354 12.735 -12.087 1.00 14.93 C +ATOM 1271 CD1 TYR A 86 41.430 13.890 -12.867 1.00 15.53 C +ATOM 1272 CD2 TYR A 86 42.486 12.008 -11.780 1.00 15.95 C +ATOM 1273 CE1 TYR A 86 42.659 14.320 -13.360 1.00 16.19 C +ATOM 1274 CE2 TYR A 86 43.709 12.432 -12.258 1.00 16.73 C +ATOM 1275 CZ TYR A 86 43.784 13.571 -13.041 1.00 17.54 C +ATOM 1276 OH TYR A 86 45.033 13.928 -13.493 1.00 18.46 O +ATOM 1277 H TYR A 86 38.043 12.640 -13.568 1.00 13.67 H +ATOM 1278 HA TYR A 86 40.003 10.504 -12.934 1.00 13.85 H +ATOM 1279 HB3 TYR A 86 40.170 11.663 -10.651 1.00 16.31 H +ATOM 1280 HB2 TYR A 86 39.361 13.037 -11.343 1.00 16.31 H +ATOM 1281 HD1 TYR A 86 40.535 14.452 -13.089 1.00 15.53 H +ATOM 1282 HD2 TYR A 86 42.408 11.119 -11.172 1.00 15.95 H +ATOM 1283 HE1 TYR A 86 42.715 15.210 -13.969 1.00 16.19 H +ATOM 1284 HE2 TYR A 86 44.604 11.876 -12.021 1.00 16.73 H +ATOM 1285 HH TYR A 86 44.968 14.734 -14.010 1.00 18.46 H +ATOM 1286 N TYR A 87 38.239 9.397 -11.508 1.00 13.15 N +ATOM 1287 CA TYR A 87 37.171 8.582 -10.940 1.00 15.32 C +ATOM 1288 C TYR A 87 37.646 7.865 -9.689 1.00 15.89 C +ATOM 1289 O TYR A 87 38.809 7.426 -9.670 1.00 15.83 O +ATOM 1290 CB TYR A 87 36.684 7.505 -11.918 1.00 12.36 C +ATOM 1291 CG TYR A 87 36.002 8.081 -13.131 1.00 14.56 C +ATOM 1292 CD1 TYR A 87 34.654 8.376 -13.060 1.00 14.48 C +ATOM 1293 CD2 TYR A 87 36.744 8.332 -14.277 1.00 15.31 C +ATOM 1294 CE1 TYR A 87 34.026 8.947 -14.146 1.00 16.60 C +ATOM 1295 CE2 TYR A 87 36.125 8.912 -15.369 1.00 17.03 C +ATOM 1296 CZ TYR A 87 34.768 9.214 -15.294 1.00 18.15 C +ATOM 1297 OH TYR A 87 34.134 9.799 -16.370 1.00 19.98 O +ATOM 1298 H TYR A 87 39.147 8.958 -11.554 1.00 13.15 H +ATOM 1299 HA TYR A 87 36.333 9.229 -10.680 1.00 15.32 H +ATOM 1300 HB3 TYR A 87 35.999 6.831 -11.403 1.00 12.36 H +ATOM 1301 HB2 TYR A 87 37.529 6.894 -12.234 1.00 12.36 H +ATOM 1302 HD1 TYR A 87 34.101 8.159 -12.158 1.00 14.48 H +ATOM 1303 HD2 TYR A 87 37.792 8.075 -14.309 1.00 15.31 H +ATOM 1304 HE1 TYR A 87 32.973 9.181 -14.099 1.00 16.60 H +ATOM 1305 HE2 TYR A 87 36.694 9.124 -16.262 1.00 17.03 H +ATOM 1306 HH TYR A 87 33.240 10.044 -16.121 1.00 19.98 H +ATOM 1307 N CYS A 88 36.802 7.700 -8.669 1.00 13.37 N +ATOM 1308 CA CYS A 88 37.168 6.888 -7.524 1.00 13.51 C +ATOM 1309 C CYS A 88 36.285 5.661 -7.609 1.00 10.82 C +ATOM 1310 O CYS A 88 35.213 5.682 -8.221 1.00 10.64 O +ATOM 1311 CB CYS A 88 36.918 7.556 -6.150 1.00 15.02 C +ATOM 1312 SG CYS A 88 35.177 8.040 -5.867 1.00 16.79 S +ATOM 1313 H CYS A 88 35.895 8.143 -8.688 1.00 13.37 H +ATOM 1314 HA CYS A 88 38.214 6.593 -7.603 1.00 13.51 H +ATOM 1315 HB3 CYS A 88 37.557 8.433 -6.053 1.00 15.02 H +ATOM 1316 HB2 CYS A 88 37.239 6.881 -5.356 1.00 15.02 H +ATOM 1317 N GLN A 89 36.770 4.575 -7.037 1.00 13.34 N +ATOM 1318 CA GLN A 89 36.045 3.315 -7.018 1.00 12.37 C +ATOM 1319 C GLN A 89 36.289 2.622 -5.655 1.00 12.55 C +ATOM 1320 O GLN A 89 37.449 2.588 -5.198 1.00 13.10 O +ATOM 1321 CB GLN A 89 36.536 2.370 -8.126 1.00 12.68 C +ATOM 1322 CG GLN A 89 35.683 1.098 -8.212 1.00 12.35 C +ATOM 1323 CD GLN A 89 36.367 -0.029 -8.966 1.00 18.13 C +ATOM 1324 OE1 GLN A 89 37.463 0.119 -9.507 1.00 17.40 O +ATOM 1325 NE2 GLN A 89 35.739 -1.199 -9.049 1.00 19.40 N +ATOM 1326 H GLN A 89 37.676 4.601 -6.591 1.00 13.34 H +ATOM 1327 HA GLN A 89 34.979 3.505 -7.146 1.00 12.37 H +ATOM 1328 HB3 GLN A 89 37.574 2.098 -7.937 1.00 12.68 H +ATOM 1329 HB2 GLN A 89 36.510 2.890 -9.084 1.00 12.68 H +ATOM 1330 HG3 GLN A 89 34.733 1.331 -8.693 1.00 12.35 H +ATOM 1331 HG2 GLN A 89 35.433 0.761 -7.206 1.00 12.35 H +ATOM 1332 HE22 GLN A 89 36.168 -1.968 -9.544 1.00 19.40 H +ATOM 1333 HE21 GLN A 89 34.834 -1.318 -8.617 1.00 19.40 H +ATOM 1334 N HIS A 90 35.277 1.987 -5.024 1.00 9.66 N +ATOM 1335 CA HIS A 90 35.541 1.301 -3.759 1.00 10.36 C +ATOM 1336 C HIS A 90 35.625 -0.207 -4.036 1.00 11.31 C +ATOM 1337 O HIS A 90 34.995 -0.702 -4.987 1.00 11.36 O +ATOM 1338 CB HIS A 90 34.416 1.589 -2.688 1.00 10.10 C +ATOM 1339 CG HIS A 90 33.073 0.850 -2.790 1.00 12.67 C +ATOM 1340 ND1 HIS A 90 32.886 -0.423 -2.272 1.00 14.26 N +ATOM 1341 CD2 HIS A 90 31.914 1.179 -3.383 1.00 9.23 C +ATOM 1342 CE1 HIS A 90 31.669 -0.785 -2.581 1.00 11.68 C +ATOM 1343 NE2 HIS A 90 31.078 0.174 -3.247 1.00 15.43 N +ATOM 1344 H HIS A 90 34.351 1.989 -5.426 1.00 9.66 H +ATOM 1345 HA HIS A 90 36.499 1.642 -3.366 1.00 10.36 H +ATOM 1346 HB3 HIS A 90 34.229 2.662 -2.650 1.00 10.10 H +ATOM 1347 HB2 HIS A 90 34.829 1.439 -1.690 1.00 10.10 H +ATOM 1348 HD2 HIS A 90 31.813 2.079 -3.830 1.00 9.23 H +ATOM 1349 HE1 HIS A 90 31.326 -1.693 -2.302 1.00 11.68 H +ATOM 1350 HE2 HIS A 90 30.083 0.240 -3.661 1.00 15.43 H +ATOM 1351 N PHE A 91 36.284 -0.951 -3.143 1.00 9.91 N +ATOM 1352 CA PHE A 91 36.400 -2.398 -3.250 1.00 12.51 C +ATOM 1353 C PHE A 91 36.005 -3.111 -1.936 1.00 14.83 C +ATOM 1354 O PHE A 91 36.598 -4.132 -1.560 1.00 10.52 O +ATOM 1355 CB PHE A 91 37.854 -2.755 -3.627 1.00 13.75 C +ATOM 1356 CG PHE A 91 38.199 -2.498 -5.090 1.00 14.48 C +ATOM 1357 CD1 PHE A 91 38.637 -1.255 -5.522 1.00 14.79 C +ATOM 1358 CD2 PHE A 91 38.115 -3.541 -5.984 1.00 14.07 C +ATOM 1359 CE1 PHE A 91 38.982 -1.064 -6.850 1.00 16.35 C +ATOM 1360 CE2 PHE A 91 38.460 -3.346 -7.303 1.00 15.81 C +ATOM 1361 CZ PHE A 91 38.898 -2.116 -7.746 1.00 14.87 C +ATOM 1362 H PHE A 91 36.730 -0.512 -2.350 1.00 9.91 H +ATOM 1363 HA PHE A 91 35.739 -2.743 -4.045 1.00 12.51 H +ATOM 1364 HB3 PHE A 91 38.042 -3.802 -3.390 1.00 13.75 H +ATOM 1365 HB2 PHE A 91 38.540 -2.196 -2.990 1.00 13.75 H +ATOM 1366 HD1 PHE A 91 38.709 -0.435 -4.823 1.00 14.79 H +ATOM 1367 HD2 PHE A 91 37.779 -4.512 -5.651 1.00 14.07 H +ATOM 1368 HE1 PHE A 91 39.317 -0.094 -7.187 1.00 16.35 H +ATOM 1369 HE2 PHE A 91 38.389 -4.163 -8.006 1.00 15.81 H +ATOM 1370 HZ PHE A 91 39.174 -1.968 -8.780 1.00 14.87 H +ATOM 1371 N TRP A 92 34.975 -2.625 -1.231 1.00 12.83 N +ATOM 1372 CA TRP A 92 34.588 -3.248 0.032 1.00 13.64 C +ATOM 1373 C TRP A 92 33.392 -4.122 -0.328 1.00 12.38 C +ATOM 1374 O TRP A 92 32.313 -3.612 -0.661 1.00 12.61 O +ATOM 1375 CB TRP A 92 34.196 -2.197 1.072 1.00 14.42 C +ATOM 1376 CG TRP A 92 33.865 -2.861 2.409 1.00 15.78 C +ATOM 1377 CD1 TRP A 92 32.575 -2.895 2.876 1.00 16.68 C +ATOM 1378 CD2 TRP A 92 34.753 -3.495 3.256 1.00 15.65 C +ATOM 1379 NE1 TRP A 92 32.639 -3.548 4.017 1.00 16.81 N +ATOM 1380 CE2 TRP A 92 33.902 -3.920 4.276 1.00 16.56 C +ATOM 1381 CE3 TRP A 92 36.112 -3.766 3.319 1.00 14.23 C +ATOM 1382 CZ2 TRP A 92 34.397 -4.616 5.367 1.00 13.14 C +ATOM 1383 CZ3 TRP A 92 36.604 -4.459 4.408 1.00 16.62 C +ATOM 1384 CH2 TRP A 92 35.762 -4.884 5.428 1.00 14.42 C +ATOM 1385 H TRP A 92 34.462 -1.824 -1.572 1.00 12.83 H +ATOM 1386 HA TRP A 92 35.403 -3.865 0.411 1.00 13.64 H +ATOM 1387 HB3 TRP A 92 33.327 -1.642 0.718 1.00 14.42 H +ATOM 1388 HB2 TRP A 92 35.020 -1.497 1.209 1.00 14.42 H +ATOM 1389 HD1 TRP A 92 31.782 -2.434 2.306 1.00 16.68 H +ATOM 1390 HE1 TRP A 92 31.800 -3.702 4.558 1.00 16.81 H +ATOM 1391 HE3 TRP A 92 36.766 -3.436 2.525 1.00 14.23 H +ATOM 1392 HZ2 TRP A 92 33.727 -4.940 6.150 1.00 13.14 H +ATOM 1393 HZ3 TRP A 92 37.659 -4.679 4.476 1.00 16.62 H +ATOM 1394 HH2 TRP A 92 36.169 -5.424 6.270 1.00 14.42 H +ATOM 1395 N SER A 93 33.613 -5.441 -0.246 1.00 11.08 N +ATOM 1396 CA SER A 93 32.671 -6.448 -0.662 1.00 12.18 C +ATOM 1397 C SER A 93 32.116 -6.174 -2.056 1.00 12.93 C +ATOM 1398 O SER A 93 32.818 -5.561 -2.881 1.00 17.00 O +ATOM 1399 CB SER A 93 31.596 -6.502 0.427 1.00 14.32 C +ATOM 1400 OG SER A 93 30.814 -7.660 0.237 1.00 17.58 O +ATOM 1401 H SER A 93 34.487 -5.784 0.127 1.00 11.08 H +ATOM 1402 HA SER A 93 33.185 -7.409 -0.682 1.00 12.18 H +ATOM 1403 HB3 SER A 93 30.961 -5.619 0.354 1.00 14.32 H +ATOM 1404 HB2 SER A 93 32.073 -6.543 1.406 1.00 14.32 H +ATOM 1405 HG SER A 93 30.136 -7.704 0.915 1.00 17.58 H +ATOM 1406 N THR A 94 30.898 -6.583 -2.384 1.00 12.42 N +ATOM 1407 CA THR A 94 30.324 -6.341 -3.696 1.00 17.88 C +ATOM 1408 C THR A 94 28.883 -5.856 -3.505 1.00 18.49 C +ATOM 1409 O THR A 94 28.318 -6.113 -2.442 1.00 16.85 O +ATOM 1410 CB THR A 94 30.345 -7.628 -4.610 1.00 18.13 C +ATOM 1411 OG1 THR A 94 29.720 -8.697 -3.904 1.00 24.31 O +ATOM 1412 CG2 THR A 94 31.765 -8.021 -5.027 1.00 20.85 C +ATOM 1413 H THR A 94 30.334 -7.082 -1.711 1.00 12.42 H +ATOM 1414 HA THR A 94 30.895 -5.554 -4.188 1.00 17.88 H +ATOM 1415 HB THR A 94 29.765 -7.422 -5.510 1.00 18.13 H +ATOM 1416 HG1 THR A 94 29.726 -9.487 -4.449 1.00 24.31 H +ATOM 1417 HG21 THR A 94 31.727 -8.912 -5.654 1.00 20.85 H +ATOM 1418 HG22 THR A 94 32.220 -7.203 -5.586 1.00 20.85 H +ATOM 1419 HG23 THR A 94 32.361 -8.229 -4.138 1.00 20.85 H +ATOM 1420 N PRO A 95 28.206 -5.134 -4.404 1.00 19.73 N +ATOM 1421 CA PRO A 95 28.733 -4.610 -5.654 1.00 17.60 C +ATOM 1422 C PRO A 95 29.727 -3.487 -5.464 1.00 17.28 C +ATOM 1423 O PRO A 95 29.634 -2.740 -4.485 1.00 17.88 O +ATOM 1424 CB PRO A 95 27.508 -4.183 -6.397 1.00 20.09 C +ATOM 1425 CG PRO A 95 26.656 -3.650 -5.267 1.00 19.84 C +ATOM 1426 CD PRO A 95 26.838 -4.663 -4.175 1.00 17.93 C +ATOM 1427 HA PRO A 95 29.215 -5.420 -6.202 1.00 17.60 H +ATOM 1428 HB3 PRO A 95 27.025 -5.062 -6.824 1.00 20.09 H +ATOM 1429 HB2 PRO A 95 27.765 -3.363 -7.068 1.00 20.09 H +ATOM 1430 HG3 PRO A 95 25.611 -3.639 -5.578 1.00 19.84 H +ATOM 1431 HG2 PRO A 95 27.054 -2.690 -4.938 1.00 19.84 H +ATOM 1432 HD2 PRO A 95 26.788 -4.162 -3.208 1.00 17.93 H +ATOM 1433 HD3 PRO A 95 26.143 -5.488 -4.331 1.00 17.93 H +ATOM 1434 N ARG A 96 30.705 -3.377 -6.370 1.00 16.51 N +ATOM 1435 CA ARG A 96 31.615 -2.235 -6.369 1.00 15.60 C +ATOM 1436 C ARG A 96 30.924 -1.065 -7.064 1.00 14.38 C +ATOM 1437 O ARG A 96 30.040 -1.298 -7.887 1.00 12.49 O +ATOM 1438 CB ARG A 96 32.892 -2.535 -7.123 1.00 13.13 C +ATOM 1439 CG ARG A 96 33.863 -3.383 -6.337 1.00 14.12 C +ATOM 1440 CD ARG A 96 33.463 -4.858 -6.281 1.00 15.02 C +ATOM 1441 NE ARG A 96 34.500 -5.631 -5.616 1.00 14.62 N +ATOM 1442 CZ ARG A 96 35.581 -6.057 -6.297 1.00 13.40 C +ATOM 1443 NH1 ARG A 96 35.796 -5.711 -7.573 1.00 12.29 N +ATOM 1444 NH2 ARG A 96 36.507 -6.761 -5.663 1.00 11.80 N +ATOM 1445 H ARG A 96 30.825 -4.092 -7.073 1.00 16.51 H +ATOM 1446 HA ARG A 96 31.854 -1.960 -5.342 1.00 15.60 H +ATOM 1447 HB3 ARG A 96 33.374 -1.599 -7.404 1.00 13.13 H +ATOM 1448 HB2 ARG A 96 32.650 -3.036 -8.060 1.00 13.13 H +ATOM 1449 HG3 ARG A 96 33.947 -2.992 -5.323 1.00 14.12 H +ATOM 1450 HG2 ARG A 96 34.858 -3.294 -6.774 1.00 14.12 H +ATOM 1451 HD3 ARG A 96 33.323 -5.235 -7.294 1.00 15.02 H +ATOM 1452 HD2 ARG A 96 32.526 -4.960 -5.733 1.00 15.02 H +ATOM 1453 HE ARG A 96 34.404 -5.848 -4.634 1.00 14.62 H +ATOM 1454 HH12 ARG A 96 36.617 -6.047 -8.056 1.00 12.29 H +ATOM 1455 HH11 ARG A 96 35.137 -5.114 -8.052 1.00 12.29 H +ATOM 1456 HH22 ARG A 96 37.323 -7.087 -6.161 1.00 11.80 H +ATOM 1457 HH21 ARG A 96 36.397 -6.972 -4.681 1.00 11.80 H +ATOM 1458 N THR A 97 31.205 0.194 -6.726 1.00 13.54 N +ATOM 1459 CA THR A 97 30.623 1.324 -7.439 1.00 14.54 C +ATOM 1460 C THR A 97 31.735 2.341 -7.674 1.00 11.63 C +ATOM 1461 O THR A 97 32.801 2.238 -7.053 1.00 12.31 O +ATOM 1462 CB THR A 97 29.462 2.028 -6.641 1.00 12.67 C +ATOM 1463 OG1 THR A 97 29.994 2.482 -5.392 1.00 14.77 O +ATOM 1464 CG2 THR A 97 28.285 1.101 -6.420 1.00 13.14 C +ATOM 1465 H THR A 97 31.835 0.382 -5.959 1.00 13.54 H +ATOM 1466 HA THR A 97 30.241 0.982 -8.401 1.00 14.54 H +ATOM 1467 HB THR A 97 29.122 2.893 -7.210 1.00 12.67 H +ATOM 1468 HG1 THR A 97 29.274 2.652 -4.780 1.00 14.77 H +ATOM 1469 HG21 THR A 97 27.507 1.626 -5.866 1.00 13.14 H +ATOM 1470 HG22 THR A 97 27.890 0.779 -7.383 1.00 13.14 H +ATOM 1471 HG23 THR A 97 28.610 0.230 -5.851 1.00 13.14 H +ATOM 1472 N PHE A 98 31.452 3.293 -8.569 1.00 12.86 N +ATOM 1473 CA PHE A 98 32.344 4.385 -8.926 1.00 14.05 C +ATOM 1474 C PHE A 98 31.744 5.710 -8.486 1.00 13.23 C +ATOM 1475 O PHE A 98 30.514 5.869 -8.472 1.00 14.20 O +ATOM 1476 CB PHE A 98 32.544 4.479 -10.455 1.00 12.75 C +ATOM 1477 CG PHE A 98 33.402 3.376 -11.039 1.00 13.11 C +ATOM 1478 CD1 PHE A 98 32.801 2.209 -11.465 1.00 13.40 C +ATOM 1479 CD2 PHE A 98 34.767 3.552 -11.133 1.00 12.68 C +ATOM 1480 CE1 PHE A 98 33.572 1.198 -11.999 1.00 13.55 C +ATOM 1481 CE2 PHE A 98 35.530 2.534 -11.668 1.00 13.43 C +ATOM 1482 CZ PHE A 98 34.936 1.363 -12.095 1.00 11.05 C +ATOM 1483 H PHE A 98 30.565 3.285 -9.051 1.00 12.86 H +ATOM 1484 HA PHE A 98 33.309 4.242 -8.440 1.00 14.05 H +ATOM 1485 HB3 PHE A 98 32.981 5.446 -10.703 1.00 12.75 H +ATOM 1486 HB2 PHE A 98 31.571 4.479 -10.947 1.00 12.75 H +ATOM 1487 HD1 PHE A 98 31.731 2.090 -11.380 1.00 13.40 H +ATOM 1488 HD2 PHE A 98 35.218 4.472 -10.791 1.00 12.68 H +ATOM 1489 HE1 PHE A 98 33.106 0.285 -12.338 1.00 13.55 H +ATOM 1490 HE2 PHE A 98 36.600 2.650 -11.755 1.00 13.43 H +ATOM 1491 HZ PHE A 98 35.548 0.574 -12.506 1.00 11.05 H +ATOM 1492 N GLY A 99 32.617 6.680 -8.270 1.00 11.97 N +ATOM 1493 CA GLY A 99 32.220 8.052 -8.032 1.00 14.20 C +ATOM 1494 C GLY A 99 31.755 8.626 -9.372 1.00 15.53 C +ATOM 1495 O GLY A 99 32.049 8.040 -10.426 1.00 16.17 O +ATOM 1496 H GLY A 99 33.606 6.477 -8.267 1.00 11.97 H +ATOM 1497 HA3 GLY A 99 33.078 8.620 -7.672 1.00 14.20 H +ATOM 1498 HA2 GLY A 99 31.393 8.072 -7.322 1.00 14.20 H +ATOM 1499 N GLY A 100 31.072 9.772 -9.401 1.00 12.64 N +ATOM 1500 CA GLY A 100 30.534 10.320 -10.627 1.00 14.54 C +ATOM 1501 C GLY A 100 31.594 10.965 -11.546 1.00 14.22 C +ATOM 1502 O GLY A 100 31.238 11.338 -12.674 1.00 16.64 O +ATOM 1503 H GLY A 100 30.915 10.288 -8.547 1.00 12.64 H +ATOM 1504 HA3 GLY A 100 29.767 11.057 -10.388 1.00 14.54 H +ATOM 1505 HA2 GLY A 100 30.010 9.536 -11.174 1.00 14.54 H +ATOM 1506 N GLY A 101 32.862 11.154 -11.151 1.00 11.09 N +ATOM 1507 CA GLY A 101 33.832 11.728 -12.066 1.00 13.32 C +ATOM 1508 C GLY A 101 34.061 13.214 -11.843 1.00 16.33 C +ATOM 1509 O GLY A 101 33.152 13.961 -11.457 1.00 18.02 O +ATOM 1510 H GLY A 101 33.143 10.897 -10.216 1.00 11.09 H +ATOM 1511 HA3 GLY A 101 33.504 11.562 -13.092 1.00 13.32 H +ATOM 1512 HA2 GLY A 101 34.779 11.197 -11.969 1.00 13.32 H +ATOM 1513 N THR A 102 35.295 13.661 -12.055 1.00 15.14 N +ATOM 1514 CA THR A 102 35.661 15.059 -11.990 1.00 15.77 C +ATOM 1515 C THR A 102 36.431 15.346 -13.277 1.00 17.86 C +ATOM 1516 O THR A 102 37.411 14.642 -13.590 1.00 16.53 O +ATOM 1517 CB THR A 102 36.585 15.375 -10.769 1.00 15.65 C +ATOM 1518 OG1 THR A 102 35.897 15.031 -9.572 1.00 17.73 O +ATOM 1519 CG2 THR A 102 37.013 16.861 -10.746 1.00 12.05 C +ATOM 1520 H THR A 102 36.037 13.012 -12.275 1.00 15.14 H +ATOM 1521 HA THR A 102 34.764 15.677 -11.947 1.00 15.77 H +ATOM 1522 HB THR A 102 37.480 14.758 -10.843 1.00 15.65 H +ATOM 1523 HG1 THR A 102 35.219 15.687 -9.392 1.00 17.73 H +ATOM 1524 HG21 THR A 102 37.654 17.042 -9.883 1.00 12.05 H +ATOM 1525 HG22 THR A 102 37.559 17.097 -11.659 1.00 12.05 H +ATOM 1526 HG23 THR A 102 36.128 17.494 -10.679 1.00 12.05 H +ATOM 1527 N LYS A 103 35.983 16.348 -14.033 1.00 15.05 N +ATOM 1528 CA LYS A 103 36.712 16.808 -15.200 1.00 17.67 C +ATOM 1529 C LYS A 103 37.676 17.916 -14.797 1.00 18.11 C +ATOM 1530 O LYS A 103 37.264 18.985 -14.328 1.00 19.17 O +ATOM 1531 CB LYS A 103 35.781 17.381 -16.239 1.00 23.74 C +ATOM 1532 CG LYS A 103 34.594 16.498 -16.574 1.00 35.11 C +ATOM 1533 CD LYS A 103 33.734 17.185 -17.630 1.00 43.63 C +ATOM 1534 CE LYS A 103 32.465 16.364 -17.930 1.00 50.04 C +ATOM 1535 NZ LYS A 103 32.730 15.086 -18.594 1.00 54.90 N +ATOM 1536 H LYS A 103 35.115 16.808 -13.799 1.00 15.05 H +ATOM 1537 HA LYS A 103 37.271 15.977 -15.631 1.00 17.67 H +ATOM 1538 HB3 LYS A 103 36.342 17.592 -17.149 1.00 23.74 H +ATOM 1539 HB2 LYS A 103 35.424 18.355 -15.905 1.00 23.74 H +ATOM 1540 HG3 LYS A 103 34.001 16.331 -15.675 1.00 35.11 H +ATOM 1541 HG2 LYS A 103 34.950 15.543 -16.961 1.00 35.11 H +ATOM 1542 HD3 LYS A 103 34.312 17.307 -18.546 1.00 43.63 H +ATOM 1543 HD2 LYS A 103 33.450 18.177 -17.278 1.00 43.63 H +ATOM 1544 HE3 LYS A 103 31.788 16.957 -18.544 1.00 50.04 H +ATOM 1545 HE2 LYS A 103 31.923 16.184 -17.002 1.00 50.04 H +ATOM 1546 HZ1 LYS A 103 31.856 14.658 -18.862 1.00 54.90 H +ATOM 1547 HZ2 LYS A 103 33.293 15.244 -19.417 1.00 54.90 H +ATOM 1548 HZ3 LYS A 103 33.224 14.473 -17.961 1.00 54.90 H +ATOM 1549 N LEU A 104 38.969 17.700 -14.956 1.00 18.81 N +ATOM 1550 CA LEU A 104 39.987 18.692 -14.654 1.00 21.20 C +ATOM 1551 C LEU A 104 40.321 19.338 -15.987 1.00 21.52 C +ATOM 1552 O LEU A 104 40.765 18.665 -16.924 1.00 20.73 O +ATOM 1553 CB LEU A 104 41.216 18.001 -14.023 1.00 21.47 C +ATOM 1554 CG LEU A 104 42.472 18.827 -13.690 1.00 22.14 C +ATOM 1555 CD1 LEU A 104 42.171 20.020 -12.795 1.00 24.05 C +ATOM 1556 CD2 LEU A 104 43.417 17.950 -12.925 1.00 23.03 C +ATOM 1557 H LEU A 104 39.293 16.809 -15.304 1.00 18.81 H +ATOM 1558 HA LEU A 104 39.587 19.439 -13.968 1.00 21.20 H +ATOM 1559 HB3 LEU A 104 41.504 17.153 -14.645 1.00 21.47 H +ATOM 1560 HB2 LEU A 104 40.900 17.462 -13.130 1.00 21.47 H +ATOM 1561 HG LEU A 104 42.946 19.166 -14.611 1.00 22.14 H +ATOM 1562 HD11 LEU A 104 43.093 20.565 -12.593 1.00 24.05 H +ATOM 1563 HD12 LEU A 104 41.461 20.680 -13.294 1.00 24.05 H +ATOM 1564 HD13 LEU A 104 41.743 19.671 -11.855 1.00 24.05 H +ATOM 1565 HD21 LEU A 104 44.316 18.514 -12.677 1.00 23.03 H +ATOM 1566 HD22 LEU A 104 42.937 17.611 -12.007 1.00 23.03 H +ATOM 1567 HD23 LEU A 104 43.686 17.087 -13.534 1.00 23.03 H +ATOM 1568 N GLU A 105 40.073 20.632 -16.115 1.00 23.76 N +ATOM 1569 CA GLU A 105 40.314 21.316 -17.366 1.00 28.52 C +ATOM 1570 C GLU A 105 41.145 22.586 -17.201 1.00 29.32 C +ATOM 1571 O GLU A 105 41.299 23.132 -16.094 1.00 23.45 O +ATOM 1572 CB GLU A 105 38.976 21.596 -18.000 1.00 33.79 C +ATOM 1573 CG GLU A 105 37.972 22.269 -17.105 1.00 43.61 C +ATOM 1574 CD GLU A 105 36.572 21.987 -17.603 1.00 49.17 C +ATOM 1575 OE1 GLU A 105 36.177 22.626 -18.578 1.00 52.67 O +ATOM 1576 OE2 GLU A 105 35.898 21.127 -17.028 1.00 51.89 O +ATOM 1577 H GLU A 105 39.710 21.156 -15.332 1.00 23.76 H +ATOM 1578 HA GLU A 105 40.862 20.638 -18.021 1.00 28.52 H +ATOM 1579 HB3 GLU A 105 38.554 20.665 -18.378 1.00 33.79 H +ATOM 1580 HB2 GLU A 105 39.121 22.199 -18.896 1.00 33.79 H +ATOM 1581 HG3 GLU A 105 38.148 23.345 -17.106 1.00 43.61 H +ATOM 1582 HG2 GLU A 105 38.079 21.889 -16.089 1.00 43.61 H +ATOM 1583 N ILE A 106 41.788 22.926 -18.324 1.00 31.21 N +ATOM 1584 CA ILE A 106 42.714 24.050 -18.431 1.00 36.73 C +ATOM 1585 C ILE A 106 42.032 25.398 -18.209 1.00 38.55 C +ATOM 1586 O ILE A 106 40.877 25.627 -18.581 1.00 38.53 O +ATOM 1587 CB ILE A 106 43.413 23.991 -19.841 1.00 38.78 C +ATOM 1588 CG1 ILE A 106 44.106 22.646 -20.042 1.00 42.03 C +ATOM 1589 CG2 ILE A 106 44.532 25.016 -19.931 1.00 39.10 C +ATOM 1590 CD1 ILE A 106 44.427 22.195 -21.493 1.00 45.10 C +ATOM 1591 H ILE A 106 41.646 22.391 -19.169 1.00 31.21 H +ATOM 1592 HA ILE A 106 43.482 23.930 -17.667 1.00 36.73 H +ATOM 1593 HB ILE A 106 42.682 24.160 -20.632 1.00 38.78 H +ATOM 1594 HG13 ILE A 106 43.525 21.868 -19.547 1.00 42.03 H +ATOM 1595 HG12 ILE A 106 45.022 22.625 -19.451 1.00 42.03 H +ATOM 1596 HG21 ILE A 106 45.001 24.958 -20.913 1.00 39.10 H +ATOM 1597 HG22 ILE A 106 44.123 26.015 -19.783 1.00 39.10 H +ATOM 1598 HG23 ILE A 106 45.276 24.811 -19.161 1.00 39.10 H +ATOM 1599 HD11 ILE A 106 44.918 21.222 -21.471 1.00 45.10 H +ATOM 1600 HD12 ILE A 106 43.502 22.122 -22.064 1.00 45.10 H +ATOM 1601 HD13 ILE A 106 45.087 22.924 -21.963 1.00 45.10 H +ATOM 1602 N LYS A 107 42.735 26.204 -17.431 1.00 43.78 N +ATOM 1603 CA LYS A 107 42.393 27.584 -17.197 1.00 47.51 C +ATOM 1604 C LYS A 107 43.517 28.261 -18.000 1.00 50.30 C +ATOM 1605 O LYS A 107 43.168 28.883 -19.005 1.00 50.86 O +ATOM 1606 CB LYS A 107 42.508 27.932 -15.714 1.00 47.34 C +ATOM 1607 CG LYS A 107 42.190 29.384 -15.448 1.00 50.47 C +ATOM 1608 CD LYS A 107 42.848 29.875 -14.174 1.00 54.12 C +ATOM 1609 CE LYS A 107 42.091 29.419 -12.942 1.00 56.15 C +ATOM 1610 NZ LYS A 107 42.816 29.846 -11.760 1.00 59.01 N +ATOM 1611 OXT LYS A 107 44.715 28.109 -17.658 1.00 51.00 O +ATOM 1612 H LYS A 107 43.561 25.860 -16.963 1.00 43.78 H +ATOM 1613 HA LYS A 107 41.408 27.829 -17.594 1.00 47.51 H +ATOM 1614 HB3 LYS A 107 43.518 27.713 -15.367 1.00 47.34 H +ATOM 1615 HB2 LYS A 107 41.829 27.301 -15.140 1.00 47.34 H +ATOM 1616 HG3 LYS A 107 41.110 29.511 -15.371 1.00 50.47 H +ATOM 1617 HG2 LYS A 107 42.530 29.990 -16.288 1.00 50.47 H +ATOM 1618 HD3 LYS A 107 42.897 30.964 -14.187 1.00 54.12 H +ATOM 1619 HD2 LYS A 107 43.872 29.504 -14.128 1.00 54.12 H +ATOM 1620 HE3 LYS A 107 42.012 28.332 -12.946 1.00 56.15 H +ATOM 1621 HE2 LYS A 107 41.097 29.867 -12.940 1.00 56.15 H +ATOM 1622 HZ1 LYS A 107 43.572 29.202 -11.577 1.00 59.01 H +ATOM 1623 HZ2 LYS A 107 43.192 30.771 -11.911 1.00 59.01 H +ATOM 1624 HZ3 LYS A 107 42.189 29.863 -10.968 1.00 59.01 H +TER 1625 LYS A 107 +ATOM 1625 N GLN B 1 53.626 -9.527 -20.890 1.00 47.05 N +ATOM 1626 CA GLN B 1 53.065 -8.221 -21.175 1.00 45.24 C +ATOM 1627 C GLN B 1 51.591 -8.519 -20.891 1.00 40.44 C +ATOM 1628 O GLN B 1 51.089 -9.519 -21.415 1.00 39.85 O +ATOM 1629 CB GLN B 1 53.350 -7.855 -22.663 1.00 52.20 C +ATOM 1630 CG GLN B 1 52.676 -8.630 -23.848 1.00 61.79 C +ATOM 1631 CD GLN B 1 52.713 -10.160 -23.726 1.00 66.73 C +ATOM 1632 OE1 GLN B 1 53.667 -10.694 -23.137 1.00 69.55 O +ATOM 1633 NE2 GLN B 1 51.676 -10.926 -24.065 1.00 67.03 N +ATOM 1634 H1 GLN B 1 54.626 -9.503 -21.033 1.00 47.05 H +ATOM 1635 H2 GLN B 1 53.430 -9.776 -19.931 1.00 47.05 H +ATOM 1636 H3 GLN B 1 53.214 -10.213 -21.507 1.00 47.05 H +ATOM 1637 HA GLN B 1 53.456 -7.463 -20.496 1.00 45.24 H +ATOM 1638 HB3 GLN B 1 54.428 -7.843 -22.821 1.00 52.20 H +ATOM 1639 HB2 GLN B 1 53.179 -6.787 -22.800 1.00 52.20 H +ATOM 1640 HG3 GLN B 1 53.144 -8.332 -24.786 1.00 61.79 H +ATOM 1641 HG2 GLN B 1 51.642 -8.301 -23.952 1.00 61.79 H +ATOM 1642 HE22 GLN B 1 51.737 -11.930 -23.971 1.00 67.03 H +ATOM 1643 HE21 GLN B 1 50.829 -10.503 -24.416 1.00 67.03 H +ATOM 1644 N VAL B 2 50.892 -7.801 -20.014 1.00 33.03 N +ATOM 1645 CA VAL B 2 49.512 -8.162 -19.753 1.00 28.63 C +ATOM 1646 C VAL B 2 48.676 -7.418 -20.809 1.00 27.33 C +ATOM 1647 O VAL B 2 48.876 -6.214 -21.018 1.00 26.78 O +ATOM 1648 CB VAL B 2 49.208 -7.756 -18.277 1.00 28.72 C +ATOM 1649 CG1 VAL B 2 47.724 -7.911 -17.942 1.00 26.95 C +ATOM 1650 CG2 VAL B 2 49.970 -8.678 -17.338 1.00 26.19 C +ATOM 1651 H VAL B 2 51.324 -7.019 -19.543 1.00 33.03 H +ATOM 1652 HA VAL B 2 49.384 -9.238 -19.873 1.00 28.63 H +ATOM 1653 HB VAL B 2 49.517 -6.724 -18.109 1.00 28.72 H +ATOM 1654 HG11 VAL B 2 47.552 -7.619 -16.906 1.00 26.95 H +ATOM 1655 HG12 VAL B 2 47.134 -7.274 -18.601 1.00 26.95 H +ATOM 1656 HG13 VAL B 2 47.427 -8.951 -18.080 1.00 26.95 H +ATOM 1657 HG21 VAL B 2 49.761 -8.399 -16.305 1.00 26.19 H +ATOM 1658 HG22 VAL B 2 49.656 -9.708 -17.506 1.00 26.19 H +ATOM 1659 HG23 VAL B 2 51.039 -8.589 -17.529 1.00 26.19 H +ATOM 1660 N GLN B 3 47.819 -8.120 -21.544 1.00 25.75 N +ATOM 1661 CA GLN B 3 46.939 -7.547 -22.557 1.00 27.20 C +ATOM 1662 C GLN B 3 45.503 -8.016 -22.338 1.00 21.72 C +ATOM 1663 O GLN B 3 45.288 -9.201 -22.058 1.00 19.43 O +ATOM 1664 CB GLN B 3 47.252 -7.999 -23.988 1.00 33.15 C +ATOM 1665 CG GLN B 3 48.657 -7.857 -24.531 1.00 42.38 C +ATOM 1666 CD GLN B 3 49.030 -6.405 -24.733 1.00 47.78 C +ATOM 1667 OE1 GLN B 3 50.093 -5.961 -24.294 1.00 51.19 O +ATOM 1668 NE2 GLN B 3 48.173 -5.625 -25.397 1.00 49.54 N +ATOM 1669 H GLN B 3 47.747 -9.120 -21.418 1.00 25.75 H +ATOM 1670 HA GLN B 3 46.979 -6.459 -22.502 1.00 27.20 H +ATOM 1671 HB3 GLN B 3 46.557 -7.514 -24.673 1.00 33.15 H +ATOM 1672 HB2 GLN B 3 46.927 -9.032 -24.112 1.00 33.15 H +ATOM 1673 HG3 GLN B 3 48.734 -8.387 -25.480 1.00 42.38 H +ATOM 1674 HG2 GLN B 3 49.361 -8.320 -23.840 1.00 42.38 H +ATOM 1675 HE22 GLN B 3 48.391 -4.651 -25.550 1.00 49.54 H +ATOM 1676 HE21 GLN B 3 47.307 -6.009 -25.747 1.00 49.54 H +ATOM 1677 N LEU B 4 44.503 -7.140 -22.451 1.00 18.99 N +ATOM 1678 CA LEU B 4 43.110 -7.544 -22.475 1.00 17.92 C +ATOM 1679 C LEU B 4 42.532 -6.837 -23.691 1.00 18.96 C +ATOM 1680 O LEU B 4 42.797 -5.648 -23.945 1.00 16.01 O +ATOM 1681 CB LEU B 4 42.339 -7.090 -21.241 1.00 17.45 C +ATOM 1682 CG LEU B 4 42.780 -7.640 -19.889 1.00 18.46 C +ATOM 1683 CD1 LEU B 4 43.783 -6.658 -19.300 1.00 18.71 C +ATOM 1684 CD2 LEU B 4 41.580 -7.822 -18.942 1.00 18.87 C +ATOM 1685 H LEU B 4 44.702 -6.153 -22.524 1.00 18.99 H +ATOM 1686 HA LEU B 4 43.032 -8.625 -22.593 1.00 17.92 H +ATOM 1687 HB3 LEU B 4 41.279 -7.300 -21.384 1.00 17.45 H +ATOM 1688 HB2 LEU B 4 42.338 -6.001 -21.201 1.00 17.45 H +ATOM 1689 HG LEU B 4 43.268 -8.603 -20.037 1.00 18.46 H +ATOM 1690 HD11 LEU B 4 44.121 -7.021 -18.329 1.00 18.71 H +ATOM 1691 HD12 LEU B 4 44.638 -6.565 -19.970 1.00 18.71 H +ATOM 1692 HD13 LEU B 4 43.310 -5.684 -19.178 1.00 18.71 H +ATOM 1693 HD21 LEU B 4 41.927 -8.215 -17.987 1.00 18.87 H +ATOM 1694 HD22 LEU B 4 41.093 -6.860 -18.783 1.00 18.87 H +ATOM 1695 HD23 LEU B 4 40.869 -8.520 -19.385 1.00 18.87 H +ATOM 1696 N GLN B 5 41.743 -7.592 -24.477 1.00 19.13 N +ATOM 1697 CA GLN B 5 41.132 -7.117 -25.706 1.00 20.33 C +ATOM 1698 C GLN B 5 39.691 -7.606 -25.840 1.00 19.91 C +ATOM 1699 O GLN B 5 39.417 -8.815 -25.871 1.00 18.86 O +ATOM 1700 CB GLN B 5 41.879 -7.622 -26.932 1.00 25.21 C +ATOM 1701 CG GLN B 5 43.369 -7.337 -27.069 1.00 33.29 C +ATOM 1702 CD GLN B 5 43.992 -8.075 -28.256 1.00 39.12 C +ATOM 1703 OE1 GLN B 5 44.410 -9.238 -28.170 1.00 39.39 O +ATOM 1704 NE2 GLN B 5 44.055 -7.420 -29.414 1.00 40.55 N +ATOM 1705 H GLN B 5 41.546 -8.550 -24.224 1.00 19.13 H +ATOM 1706 HA GLN B 5 41.139 -6.027 -25.709 1.00 20.33 H +ATOM 1707 HB3 GLN B 5 41.367 -7.273 -27.829 1.00 25.21 H +ATOM 1708 HB2 GLN B 5 41.712 -8.694 -27.033 1.00 25.21 H +ATOM 1709 HG3 GLN B 5 43.880 -7.630 -26.152 1.00 33.29 H +ATOM 1710 HG2 GLN B 5 43.524 -6.265 -27.187 1.00 33.29 H +ATOM 1711 HE22 GLN B 5 44.458 -7.866 -30.225 1.00 40.55 H +ATOM 1712 HE21 GLN B 5 43.700 -6.477 -29.481 1.00 40.55 H +ATOM 1713 N GLU B 6 38.765 -6.661 -25.977 1.00 19.92 N +ATOM 1714 CA GLU B 6 37.349 -6.939 -26.075 1.00 18.54 C +ATOM 1715 C GLU B 6 36.942 -7.092 -27.540 1.00 24.58 C +ATOM 1716 O GLU B 6 37.585 -6.486 -28.407 1.00 24.25 O +ATOM 1717 CB GLU B 6 36.537 -5.801 -25.454 1.00 18.74 C +ATOM 1718 CG GLU B 6 36.816 -5.467 -23.980 1.00 16.98 C +ATOM 1719 CD GLU B 6 37.952 -4.475 -23.746 1.00 18.77 C +ATOM 1720 OE1 GLU B 6 38.670 -4.155 -24.698 1.00 19.74 O +ATOM 1721 OE2 GLU B 6 38.137 -4.017 -22.621 1.00 15.55 O +ATOM 1722 H GLU B 6 39.037 -5.689 -26.018 1.00 19.92 H +ATOM 1723 HA GLU B 6 37.129 -7.866 -25.545 1.00 18.54 H +ATOM 1724 HB3 GLU B 6 35.474 -6.009 -25.579 1.00 18.74 H +ATOM 1725 HB2 GLU B 6 36.663 -4.901 -26.056 1.00 18.74 H +ATOM 1726 HG3 GLU B 6 37.023 -6.388 -23.435 1.00 16.98 H +ATOM 1727 HG2 GLU B 6 35.905 -5.087 -23.518 1.00 16.98 H +ATOM 1728 N SER B 7 35.957 -7.917 -27.876 1.00 21.88 N +ATOM 1729 CA SER B 7 35.436 -8.007 -29.223 1.00 25.12 C +ATOM 1730 C SER B 7 33.958 -8.151 -29.015 1.00 24.40 C +ATOM 1731 O SER B 7 33.534 -8.949 -28.176 1.00 23.02 O +ATOM 1732 CB SER B 7 35.834 -9.243 -29.980 1.00 25.79 C +ATOM 1733 OG SER B 7 37.237 -9.403 -29.964 1.00 34.35 O +ATOM 1734 H SER B 7 35.539 -8.516 -27.178 1.00 21.88 H +ATOM 1735 HA SER B 7 35.666 -7.107 -29.793 1.00 25.12 H +ATOM 1736 HB3 SER B 7 35.489 -9.164 -31.011 1.00 25.79 H +ATOM 1737 HB2 SER B 7 35.364 -10.115 -29.525 1.00 25.79 H +ATOM 1738 HG SER B 7 37.651 -8.640 -30.374 1.00 34.35 H +ATOM 1739 N GLY B 8 33.164 -7.424 -29.773 1.00 24.27 N +ATOM 1740 CA GLY B 8 31.733 -7.529 -29.656 1.00 29.83 C +ATOM 1741 C GLY B 8 31.063 -7.193 -30.970 1.00 31.35 C +ATOM 1742 O GLY B 8 31.726 -6.850 -31.950 1.00 30.61 O +ATOM 1743 H GLY B 8 33.557 -6.783 -30.447 1.00 24.27 H +ATOM 1744 HA3 GLY B 8 31.381 -6.845 -28.884 1.00 29.83 H +ATOM 1745 HA2 GLY B 8 31.466 -8.544 -29.362 1.00 29.83 H +ATOM 1746 N PRO B 9 29.739 -7.237 -31.001 1.00 34.08 N +ATOM 1747 CA PRO B 9 28.944 -7.056 -32.203 1.00 34.93 C +ATOM 1748 C PRO B 9 28.795 -5.617 -32.718 1.00 35.77 C +ATOM 1749 O PRO B 9 28.381 -5.410 -33.866 1.00 38.03 O +ATOM 1750 CB PRO B 9 27.643 -7.726 -31.801 1.00 36.49 C +ATOM 1751 CG PRO B 9 27.476 -7.314 -30.361 1.00 35.68 C +ATOM 1752 CD PRO B 9 28.893 -7.465 -29.823 1.00 34.74 C +ATOM 1753 HA PRO B 9 29.396 -7.651 -32.997 1.00 34.93 H +ATOM 1754 HB3 PRO B 9 27.764 -8.808 -31.854 1.00 36.49 H +ATOM 1755 HB2 PRO B 9 26.827 -7.310 -32.391 1.00 36.49 H +ATOM 1756 HG3 PRO B 9 26.824 -8.027 -29.857 1.00 35.68 H +ATOM 1757 HG2 PRO B 9 27.187 -6.264 -30.320 1.00 35.68 H +ATOM 1758 HD2 PRO B 9 29.084 -6.685 -29.086 1.00 34.74 H +ATOM 1759 HD3 PRO B 9 29.037 -8.486 -29.468 1.00 34.74 H +ATOM 1760 N GLY B 10 29.065 -4.574 -31.928 1.00 34.43 N +ATOM 1761 CA GLY B 10 28.936 -3.210 -32.416 1.00 35.65 C +ATOM 1762 C GLY B 10 27.511 -2.651 -32.393 1.00 36.17 C +ATOM 1763 O GLY B 10 27.255 -1.579 -31.830 1.00 36.70 O +ATOM 1764 H GLY B 10 29.364 -4.726 -30.975 1.00 34.43 H +ATOM 1765 HA3 GLY B 10 29.330 -3.151 -33.430 1.00 35.65 H +ATOM 1766 HA2 GLY B 10 29.589 -2.557 -31.838 1.00 35.65 H +ATOM 1767 N LEU B 11 26.537 -3.320 -32.982 1.00 38.26 N +ATOM 1768 CA LEU B 11 25.178 -2.825 -33.033 1.00 38.53 C +ATOM 1769 C LEU B 11 24.292 -4.023 -32.758 1.00 37.80 C +ATOM 1770 O LEU B 11 24.597 -5.134 -33.209 1.00 35.67 O +ATOM 1771 CB LEU B 11 24.930 -2.247 -34.424 1.00 39.51 C +ATOM 1772 CG LEU B 11 23.525 -1.829 -34.851 1.00 40.92 C +ATOM 1773 CD1 LEU B 11 23.050 -0.608 -34.088 1.00 40.25 C +ATOM 1774 CD2 LEU B 11 23.563 -1.495 -36.324 1.00 40.59 C +ATOM 1775 H LEU B 11 26.728 -4.211 -33.418 1.00 38.26 H +ATOM 1776 HA LEU B 11 25.026 -2.059 -32.272 1.00 38.53 H +ATOM 1777 HB3 LEU B 11 25.336 -2.932 -35.168 1.00 39.51 H +ATOM 1778 HB2 LEU B 11 25.611 -1.412 -34.586 1.00 39.51 H +ATOM 1779 HG LEU B 11 22.833 -2.654 -34.683 1.00 40.92 H +ATOM 1780 HD11 LEU B 11 22.047 -0.340 -34.419 1.00 40.25 H +ATOM 1781 HD12 LEU B 11 23.033 -0.830 -33.021 1.00 40.25 H +ATOM 1782 HD13 LEU B 11 23.728 0.225 -34.275 1.00 40.25 H +ATOM 1783 HD21 LEU B 11 22.569 -1.193 -36.654 1.00 40.59 H +ATOM 1784 HD22 LEU B 11 24.266 -0.679 -36.494 1.00 40.59 H +ATOM 1785 HD23 LEU B 11 23.882 -2.372 -36.888 1.00 40.59 H +ATOM 1786 N VAL B 12 23.257 -3.839 -31.940 1.00 39.59 N +ATOM 1787 CA VAL B 12 22.271 -4.881 -31.667 1.00 41.95 C +ATOM 1788 C VAL B 12 20.872 -4.296 -31.475 1.00 43.34 C +ATOM 1789 O VAL B 12 20.682 -3.147 -31.065 1.00 43.22 O +ATOM 1790 CB VAL B 12 22.607 -5.713 -30.387 1.00 42.89 C +ATOM 1791 CG1 VAL B 12 23.687 -6.740 -30.672 1.00 41.91 C +ATOM 1792 CG2 VAL B 12 23.075 -4.783 -29.280 1.00 43.84 C +ATOM 1793 H VAL B 12 23.130 -2.949 -31.479 1.00 39.59 H +ATOM 1794 HA VAL B 12 22.245 -5.560 -32.520 1.00 41.95 H +ATOM 1795 HB VAL B 12 21.707 -6.230 -30.056 1.00 42.89 H +ATOM 1796 HG11 VAL B 12 23.901 -7.304 -29.764 1.00 41.91 H +ATOM 1797 HG12 VAL B 12 23.345 -7.421 -31.451 1.00 41.91 H +ATOM 1798 HG13 VAL B 12 24.592 -6.233 -31.006 1.00 41.91 H +ATOM 1799 HG21 VAL B 12 23.308 -5.366 -28.389 1.00 43.84 H +ATOM 1800 HG22 VAL B 12 23.966 -4.248 -29.607 1.00 43.84 H +ATOM 1801 HG23 VAL B 12 22.286 -4.067 -29.049 1.00 43.84 H +ATOM 1802 N ALA B 13 19.872 -5.077 -31.841 1.00 46.83 N +ATOM 1803 CA ALA B 13 18.484 -4.722 -31.639 1.00 52.22 C +ATOM 1804 C ALA B 13 18.092 -5.325 -30.300 1.00 56.28 C +ATOM 1805 O ALA B 13 18.659 -6.360 -29.933 1.00 55.25 O +ATOM 1806 CB ALA B 13 17.600 -5.341 -32.705 1.00 52.99 C +ATOM 1807 H ALA B 13 20.061 -5.965 -32.283 1.00 46.83 H +ATOM 1808 HA ALA B 13 18.364 -3.639 -31.622 1.00 52.22 H +ATOM 1809 HB1 ALA B 13 16.563 -5.057 -32.528 1.00 52.99 H +ATOM 1810 HB2 ALA B 13 17.911 -4.985 -33.687 1.00 52.99 H +ATOM 1811 HB3 ALA B 13 17.690 -6.427 -32.667 1.00 52.99 H +ATOM 1812 N PRO B 14 17.145 -4.771 -29.534 1.00 60.84 N +ATOM 1813 CA PRO B 14 16.547 -5.369 -28.342 1.00 64.14 C +ATOM 1814 C PRO B 14 16.153 -6.843 -28.395 1.00 66.81 C +ATOM 1815 O PRO B 14 16.031 -7.505 -27.363 1.00 69.08 O +ATOM 1816 CB PRO B 14 15.377 -4.453 -28.053 1.00 64.08 C +ATOM 1817 CG PRO B 14 15.955 -3.097 -28.385 1.00 63.67 C +ATOM 1818 CD PRO B 14 16.679 -3.397 -29.686 1.00 62.76 C +ATOM 1819 HA PRO B 14 17.261 -5.252 -27.527 1.00 64.14 H +ATOM 1820 HB3 PRO B 14 15.145 -4.493 -26.989 1.00 64.08 H +ATOM 1821 HB2 PRO B 14 14.567 -4.677 -28.747 1.00 64.08 H +ATOM 1822 HG3 PRO B 14 16.686 -2.824 -27.624 1.00 63.67 H +ATOM 1823 HG2 PRO B 14 15.141 -2.400 -28.582 1.00 63.67 H +ATOM 1824 HD2 PRO B 14 15.971 -3.345 -30.513 1.00 62.76 H +ATOM 1825 HD3 PRO B 14 17.538 -2.733 -29.782 1.00 62.76 H +ATOM 1826 N SER B 15 15.900 -7.359 -29.591 1.00 68.61 N +ATOM 1827 CA SER B 15 15.580 -8.758 -29.785 1.00 69.42 C +ATOM 1828 C SER B 15 16.791 -9.684 -29.700 1.00 67.74 C +ATOM 1829 O SER B 15 16.649 -10.907 -29.758 1.00 66.97 O +ATOM 1830 CB SER B 15 14.890 -8.847 -31.134 1.00 72.40 C +ATOM 1831 OG SER B 15 13.829 -7.885 -31.153 1.00 75.68 O +ATOM 1832 H SER B 15 15.926 -6.770 -30.411 1.00 68.61 H +ATOM 1833 HA SER B 15 14.867 -9.056 -29.016 1.00 69.42 H +ATOM 1834 HB3 SER B 15 14.476 -9.847 -31.264 1.00 72.40 H +ATOM 1835 HB2 SER B 15 15.605 -8.614 -31.923 1.00 72.40 H +ATOM 1836 HG SER B 15 13.377 -7.923 -31.999 1.00 75.68 H +ATOM 1837 N GLN B 16 18.010 -9.162 -29.593 1.00 66.91 N +ATOM 1838 CA GLN B 16 19.181 -10.012 -29.483 1.00 65.84 C +ATOM 1839 C GLN B 16 19.700 -9.964 -28.059 1.00 64.27 C +ATOM 1840 O GLN B 16 19.323 -9.115 -27.244 1.00 64.24 O +ATOM 1841 CB GLN B 16 20.291 -9.544 -30.391 1.00 67.07 C +ATOM 1842 CG GLN B 16 20.019 -9.769 -31.852 1.00 68.31 C +ATOM 1843 CD GLN B 16 20.501 -8.579 -32.657 1.00 69.64 C +ATOM 1844 OE1 GLN B 16 19.742 -7.645 -32.895 1.00 69.73 O +ATOM 1845 NE2 GLN B 16 21.757 -8.502 -33.067 1.00 69.99 N +ATOM 1846 H GLN B 16 18.131 -8.159 -29.587 1.00 66.91 H +ATOM 1847 HA GLN B 16 18.911 -11.037 -29.737 1.00 65.84 H +ATOM 1848 HB3 GLN B 16 21.219 -10.044 -30.115 1.00 67.07 H +ATOM 1849 HB2 GLN B 16 20.478 -8.484 -30.217 1.00 67.07 H +ATOM 1850 HG3 GLN B 16 18.948 -9.902 -32.006 1.00 68.31 H +ATOM 1851 HG2 GLN B 16 20.540 -10.667 -32.184 1.00 68.31 H +ATOM 1852 HE22 GLN B 16 22.065 -7.703 -33.603 1.00 69.99 H +ATOM 1853 HE21 GLN B 16 22.407 -9.242 -32.844 1.00 69.99 H +ATOM 1854 N SER B 17 20.517 -10.967 -27.770 1.00 62.01 N +ATOM 1855 CA SER B 17 21.264 -11.028 -26.539 1.00 60.96 C +ATOM 1856 C SER B 17 22.661 -10.568 -26.930 1.00 58.87 C +ATOM 1857 O SER B 17 23.133 -10.839 -28.036 1.00 62.15 O +ATOM 1858 CB SER B 17 21.301 -12.454 -26.014 1.00 62.19 C +ATOM 1859 OG SER B 17 19.995 -12.871 -25.624 1.00 65.40 O +ATOM 1860 H SER B 17 20.634 -11.727 -28.424 1.00 62.01 H +ATOM 1861 HA SER B 17 20.833 -10.357 -25.796 1.00 60.96 H +ATOM 1862 HB3 SER B 17 21.971 -12.508 -25.156 1.00 62.19 H +ATOM 1863 HB2 SER B 17 21.677 -13.118 -26.793 1.00 62.19 H +ATOM 1864 HG SER B 17 19.666 -12.291 -24.933 1.00 65.40 H +ATOM 1865 N LEU B 18 23.321 -9.797 -26.094 1.00 54.59 N +ATOM 1866 CA LEU B 18 24.672 -9.341 -26.316 1.00 47.06 C +ATOM 1867 C LEU B 18 25.678 -10.351 -25.760 1.00 43.94 C +ATOM 1868 O LEU B 18 25.498 -10.866 -24.649 1.00 41.36 O +ATOM 1869 CB LEU B 18 24.798 -8.012 -25.618 1.00 46.52 C +ATOM 1870 CG LEU B 18 26.165 -7.403 -25.507 1.00 46.76 C +ATOM 1871 CD1 LEU B 18 26.587 -6.916 -26.876 1.00 47.89 C +ATOM 1872 CD2 LEU B 18 26.150 -6.288 -24.479 1.00 48.16 C +ATOM 1873 H LEU B 18 22.883 -9.489 -25.237 1.00 54.59 H +ATOM 1874 HA LEU B 18 24.841 -9.209 -27.385 1.00 47.06 H +ATOM 1875 HB3 LEU B 18 24.359 -8.088 -24.623 1.00 46.52 H +ATOM 1876 HB2 LEU B 18 24.125 -7.296 -26.089 1.00 46.52 H +ATOM 1877 HG LEU B 18 26.864 -8.172 -25.179 1.00 46.76 H +ATOM 1878 HD11 LEU B 18 27.580 -6.470 -26.813 1.00 47.89 H +ATOM 1879 HD12 LEU B 18 26.610 -7.756 -27.570 1.00 47.89 H +ATOM 1880 HD13 LEU B 18 25.876 -6.171 -27.232 1.00 47.89 H +ATOM 1881 HD21 LEU B 18 27.145 -5.850 -24.403 1.00 48.16 H +ATOM 1882 HD22 LEU B 18 25.438 -5.521 -24.784 1.00 48.16 H +ATOM 1883 HD23 LEU B 18 25.856 -6.691 -23.510 1.00 48.16 H +ATOM 1884 N SER B 19 26.722 -10.677 -26.517 1.00 38.77 N +ATOM 1885 CA SER B 19 27.820 -11.445 -25.983 1.00 34.30 C +ATOM 1886 C SER B 19 29.073 -10.645 -26.333 1.00 30.03 C +ATOM 1887 O SER B 19 29.217 -10.185 -27.471 1.00 30.32 O +ATOM 1888 CB SER B 19 27.866 -12.832 -26.614 1.00 34.61 C +ATOM 1889 OG SER B 19 28.761 -13.641 -25.848 1.00 39.95 O +ATOM 1890 H SER B 19 26.755 -10.386 -27.484 1.00 38.77 H +ATOM 1891 HA SER B 19 27.723 -11.531 -24.901 1.00 34.30 H +ATOM 1892 HB3 SER B 19 28.233 -12.753 -27.637 1.00 34.61 H +ATOM 1893 HB2 SER B 19 26.870 -13.273 -26.593 1.00 34.61 H +ATOM 1894 HG SER B 19 28.445 -13.700 -24.944 1.00 39.95 H +ATOM 1895 N ILE B 20 29.963 -10.367 -25.388 1.00 25.30 N +ATOM 1896 CA ILE B 20 31.210 -9.658 -25.660 1.00 21.96 C +ATOM 1897 C ILE B 20 32.301 -10.574 -25.133 1.00 20.59 C +ATOM 1898 O ILE B 20 32.121 -11.204 -24.079 1.00 20.23 O +ATOM 1899 CB ILE B 20 31.217 -8.302 -24.917 1.00 22.29 C +ATOM 1900 CG1 ILE B 20 30.104 -7.433 -25.478 1.00 24.10 C +ATOM 1901 CG2 ILE B 20 32.561 -7.585 -25.090 1.00 21.68 C +ATOM 1902 CD1 ILE B 20 29.893 -6.119 -24.724 1.00 26.49 C +ATOM 1903 H ILE B 20 29.791 -10.649 -24.433 1.00 25.30 H +ATOM 1904 HA ILE B 20 31.331 -9.503 -26.732 1.00 21.96 H +ATOM 1905 HB ILE B 20 31.037 -8.474 -23.856 1.00 22.29 H +ATOM 1906 HG13 ILE B 20 29.173 -7.999 -25.485 1.00 24.10 H +ATOM 1907 HG12 ILE B 20 30.307 -7.219 -26.527 1.00 24.10 H +ATOM 1908 HG21 ILE B 20 32.538 -6.634 -24.557 1.00 21.68 H +ATOM 1909 HG22 ILE B 20 33.360 -8.207 -24.687 1.00 21.68 H +ATOM 1910 HG23 ILE B 20 32.742 -7.403 -26.149 1.00 21.68 H +ATOM 1911 HD11 ILE B 20 29.081 -5.559 -25.189 1.00 26.49 H +ATOM 1912 HD12 ILE B 20 29.639 -6.332 -23.686 1.00 26.49 H +ATOM 1913 HD13 ILE B 20 30.808 -5.528 -24.760 1.00 26.49 H +ATOM 1914 N THR B 21 33.419 -10.659 -25.849 1.00 18.91 N +ATOM 1915 CA THR B 21 34.545 -11.459 -25.428 1.00 18.64 C +ATOM 1916 C THR B 21 35.690 -10.573 -24.966 1.00 19.08 C +ATOM 1917 O THR B 21 35.922 -9.491 -25.505 1.00 21.49 O +ATOM 1918 CB THR B 21 35.061 -12.327 -26.602 1.00 20.53 C +ATOM 1919 OG1 THR B 21 33.946 -13.060 -27.059 1.00 21.29 O +ATOM 1920 CG2 THR B 21 36.196 -13.269 -26.209 1.00 20.56 C +ATOM 1921 H THR B 21 33.501 -10.153 -26.720 1.00 18.91 H +ATOM 1922 HA THR B 21 34.239 -12.108 -24.608 1.00 18.64 H +ATOM 1923 HB THR B 21 35.406 -11.672 -27.402 1.00 20.53 H +ATOM 1924 HG1 THR B 21 33.607 -13.606 -26.346 1.00 21.29 H +ATOM 1925 HG21 THR B 21 36.508 -13.846 -27.080 1.00 20.56 H +ATOM 1926 HG22 THR B 21 37.040 -12.687 -25.838 1.00 20.56 H +ATOM 1927 HG23 THR B 21 35.852 -13.947 -25.428 1.00 20.56 H +ATOM 1928 N CYS B 22 36.360 -10.997 -23.907 1.00 18.98 N +ATOM 1929 CA CYS B 22 37.608 -10.410 -23.456 1.00 18.64 C +ATOM 1930 C CYS B 22 38.695 -11.498 -23.592 1.00 18.66 C +ATOM 1931 O CYS B 22 38.639 -12.546 -22.922 1.00 16.86 O +ATOM 1932 CB CYS B 22 37.426 -9.970 -22.005 1.00 16.43 C +ATOM 1933 SG CYS B 22 38.883 -9.277 -21.241 1.00 15.81 S +ATOM 1934 H CYS B 22 36.007 -11.771 -23.363 1.00 18.98 H +ATOM 1935 HA CYS B 22 37.861 -9.551 -24.077 1.00 18.64 H +ATOM 1936 HB3 CYS B 22 37.076 -10.816 -21.413 1.00 16.43 H +ATOM 1937 HB2 CYS B 22 36.610 -9.249 -21.946 1.00 16.43 H +ATOM 1938 N THR B 23 39.674 -11.301 -24.488 1.00 18.57 N +ATOM 1939 CA THR B 23 40.733 -12.280 -24.667 1.00 16.02 C +ATOM 1940 C THR B 23 41.916 -11.676 -23.943 1.00 15.54 C +ATOM 1941 O THR B 23 42.279 -10.510 -24.167 1.00 17.82 O +ATOM 1942 CB THR B 23 41.030 -12.490 -26.175 1.00 16.44 C +ATOM 1943 OG1 THR B 23 39.787 -12.737 -26.829 1.00 17.39 O +ATOM 1944 CG2 THR B 23 41.979 -13.670 -26.408 1.00 16.22 C +ATOM 1945 H THR B 23 39.682 -10.462 -25.051 1.00 18.57 H +ATOM 1946 HA THR B 23 40.452 -13.226 -24.204 1.00 16.02 H +ATOM 1947 HB THR B 23 41.477 -11.583 -26.583 1.00 16.44 H +ATOM 1948 HG1 THR B 23 39.204 -11.984 -26.705 1.00 17.39 H +ATOM 1949 HG21 THR B 23 42.162 -13.784 -27.476 1.00 16.22 H +ATOM 1950 HG22 THR B 23 42.923 -13.484 -25.896 1.00 16.22 H +ATOM 1951 HG23 THR B 23 41.528 -14.582 -26.018 1.00 16.22 H +ATOM 1952 N VAL B 24 42.519 -12.423 -23.032 1.00 14.49 N +ATOM 1953 CA VAL B 24 43.634 -11.914 -22.258 1.00 16.60 C +ATOM 1954 C VAL B 24 44.939 -12.611 -22.601 1.00 17.12 C +ATOM 1955 O VAL B 24 44.912 -13.704 -23.176 1.00 17.36 O +ATOM 1956 CB VAL B 24 43.333 -12.056 -20.722 1.00 14.50 C +ATOM 1957 CG1 VAL B 24 41.934 -11.511 -20.494 1.00 15.78 C +ATOM 1958 CG2 VAL B 24 43.401 -13.487 -20.193 1.00 13.45 C +ATOM 1959 H VAL B 24 42.204 -13.368 -22.865 1.00 14.49 H +ATOM 1960 HA VAL B 24 43.747 -10.854 -22.484 1.00 16.60 H +ATOM 1961 HB VAL B 24 44.043 -11.443 -20.167 1.00 14.50 H +ATOM 1962 HG11 VAL B 24 41.681 -11.589 -19.437 1.00 15.78 H +ATOM 1963 HG12 VAL B 24 41.897 -10.465 -20.799 1.00 15.78 H +ATOM 1964 HG13 VAL B 24 41.219 -12.086 -21.082 1.00 15.78 H +ATOM 1965 HG21 VAL B 24 43.180 -13.491 -19.126 1.00 13.45 H +ATOM 1966 HG22 VAL B 24 42.671 -14.104 -20.717 1.00 13.45 H +ATOM 1967 HG23 VAL B 24 44.401 -13.889 -20.358 1.00 13.45 H +ATOM 1968 N SER B 25 46.075 -12.015 -22.286 1.00 17.39 N +ATOM 1969 CA SER B 25 47.344 -12.667 -22.446 1.00 19.25 C +ATOM 1970 C SER B 25 48.303 -12.061 -21.459 1.00 17.98 C +ATOM 1971 O SER B 25 48.153 -10.926 -20.978 1.00 20.09 O +ATOM 1972 CB SER B 25 47.880 -12.500 -23.887 1.00 21.21 C +ATOM 1973 OG SER B 25 47.967 -11.154 -24.317 1.00 27.74 O +ATOM 1974 H SER B 25 46.067 -11.073 -21.921 1.00 17.39 H +ATOM 1975 HA SER B 25 47.230 -13.729 -22.228 1.00 19.25 H +ATOM 1976 HB3 SER B 25 47.246 -13.059 -24.575 1.00 21.21 H +ATOM 1977 HB2 SER B 25 48.861 -12.968 -23.964 1.00 21.21 H +ATOM 1978 HG SER B 25 48.133 -10.586 -23.561 1.00 27.74 H +ATOM 1979 N GLY B 26 49.302 -12.861 -21.096 1.00 18.74 N +ATOM 1980 CA GLY B 26 50.342 -12.415 -20.205 1.00 17.82 C +ATOM 1981 C GLY B 26 50.004 -12.825 -18.786 1.00 20.01 C +ATOM 1982 O GLY B 26 50.861 -12.595 -17.940 1.00 23.03 O +ATOM 1983 H GLY B 26 49.344 -13.807 -21.447 1.00 18.74 H +ATOM 1984 HA3 GLY B 26 50.426 -11.330 -20.259 1.00 17.82 H +ATOM 1985 HA2 GLY B 26 51.290 -12.867 -20.498 1.00 17.82 H +ATOM 1986 N PHE B 27 48.849 -13.425 -18.455 1.00 18.56 N +ATOM 1987 CA PHE B 27 48.563 -13.904 -17.096 1.00 17.73 C +ATOM 1988 C PHE B 27 47.537 -15.026 -17.154 1.00 18.21 C +ATOM 1989 O PHE B 27 46.823 -15.173 -18.157 1.00 21.31 O +ATOM 1990 CB PHE B 27 48.013 -12.780 -16.193 1.00 16.41 C +ATOM 1991 CG PHE B 27 46.679 -12.194 -16.654 1.00 17.14 C +ATOM 1992 CD1 PHE B 27 46.652 -11.247 -17.665 1.00 16.29 C +ATOM 1993 CD2 PHE B 27 45.499 -12.593 -16.041 1.00 15.85 C +ATOM 1994 CE1 PHE B 27 45.449 -10.689 -18.055 1.00 15.84 C +ATOM 1995 CE2 PHE B 27 44.295 -12.052 -16.430 1.00 14.26 C +ATOM 1996 CZ PHE B 27 44.279 -11.097 -17.436 1.00 17.50 C +ATOM 1997 H PHE B 27 48.133 -13.563 -19.154 1.00 18.56 H +ATOM 1998 HA PHE B 27 49.483 -14.290 -16.657 1.00 17.73 H +ATOM 1999 HB3 PHE B 27 48.752 -11.982 -16.119 1.00 16.41 H +ATOM 2000 HB2 PHE B 27 47.911 -13.153 -15.174 1.00 16.41 H +ATOM 2001 HD1 PHE B 27 47.570 -10.946 -18.147 1.00 16.29 H +ATOM 2002 HD2 PHE B 27 45.523 -13.332 -15.254 1.00 15.85 H +ATOM 2003 HE1 PHE B 27 45.428 -9.943 -18.835 1.00 15.84 H +ATOM 2004 HE2 PHE B 27 43.380 -12.372 -15.954 1.00 14.26 H +ATOM 2005 HZ PHE B 27 43.333 -10.670 -17.735 1.00 17.50 H +ATOM 2006 N SER B 28 47.411 -15.830 -16.114 1.00 19.56 N +ATOM 2007 CA SER B 28 46.436 -16.908 -16.082 1.00 21.23 C +ATOM 2008 C SER B 28 45.113 -16.433 -15.456 1.00 20.62 C +ATOM 2009 O SER B 28 45.106 -15.719 -14.443 1.00 20.30 O +ATOM 2010 CB SER B 28 46.968 -18.081 -15.260 1.00 23.53 C +ATOM 2011 OG SER B 28 46.024 -19.159 -15.232 1.00 30.58 O +ATOM 2012 H SER B 28 48.003 -15.706 -15.305 1.00 19.56 H +ATOM 2013 HA SER B 28 46.246 -17.245 -17.101 1.00 21.23 H +ATOM 2014 HB3 SER B 28 47.170 -17.749 -14.242 1.00 23.53 H +ATOM 2015 HB2 SER B 28 47.906 -18.431 -15.692 1.00 23.53 H +ATOM 2016 HG SER B 28 46.279 -19.825 -15.874 1.00 30.58 H +ATOM 2017 N LEU B 29 43.993 -16.911 -16.000 1.00 18.64 N +ATOM 2018 CA LEU B 29 42.710 -16.543 -15.451 1.00 20.70 C +ATOM 2019 C LEU B 29 42.420 -17.248 -14.128 1.00 22.76 C +ATOM 2020 O LEU B 29 41.528 -16.831 -13.382 1.00 22.97 O +ATOM 2021 CB LEU B 29 41.611 -16.838 -16.474 1.00 17.15 C +ATOM 2022 CG LEU B 29 41.524 -15.822 -17.629 1.00 17.50 C +ATOM 2023 CD1 LEU B 29 40.508 -16.336 -18.618 1.00 17.62 C +ATOM 2024 CD2 LEU B 29 41.183 -14.413 -17.115 1.00 16.81 C +ATOM 2025 H LEU B 29 44.043 -17.531 -16.796 1.00 18.64 H +ATOM 2026 HA LEU B 29 42.718 -15.469 -15.266 1.00 20.70 H +ATOM 2027 HB3 LEU B 29 40.648 -16.889 -15.965 1.00 17.15 H +ATOM 2028 HB2 LEU B 29 41.757 -17.838 -16.883 1.00 17.15 H +ATOM 2029 HG LEU B 29 42.494 -15.781 -18.124 1.00 17.50 H +ATOM 2030 HD11 LEU B 29 40.424 -15.636 -19.450 1.00 17.62 H +ATOM 2031 HD12 LEU B 29 40.825 -17.309 -18.993 1.00 17.62 H +ATOM 2032 HD13 LEU B 29 39.540 -16.435 -18.127 1.00 17.62 H +ATOM 2033 HD21 LEU B 29 41.130 -13.722 -17.956 1.00 16.81 H +ATOM 2034 HD22 LEU B 29 40.221 -14.436 -16.602 1.00 16.81 H +ATOM 2035 HD23 LEU B 29 41.956 -14.082 -16.422 1.00 16.81 H +ATOM 2036 N THR B 30 43.187 -18.280 -13.751 1.00 21.64 N +ATOM 2037 CA THR B 30 42.976 -18.901 -12.451 1.00 23.14 C +ATOM 2038 C THR B 30 43.527 -18.003 -11.315 1.00 24.00 C +ATOM 2039 O THR B 30 43.037 -18.018 -10.171 1.00 26.72 O +ATOM 2040 CB THR B 30 43.653 -20.318 -12.432 1.00 22.79 C +ATOM 2041 OG1 THR B 30 45.053 -20.150 -12.606 1.00 26.08 O +ATOM 2042 CG2 THR B 30 43.137 -21.222 -13.536 1.00 24.32 C +ATOM 2043 H THR B 30 43.909 -18.625 -14.368 1.00 21.64 H +ATOM 2044 HA THR B 30 41.904 -19.029 -12.300 1.00 23.14 H +ATOM 2045 HB THR B 30 43.467 -20.790 -11.467 1.00 22.79 H +ATOM 2046 HG1 THR B 30 45.495 -20.993 -12.479 1.00 26.08 H +ATOM 2047 HG21 THR B 30 43.637 -22.189 -13.478 1.00 24.32 H +ATOM 2048 HG22 THR B 30 42.062 -21.362 -13.419 1.00 24.32 H +ATOM 2049 HG23 THR B 30 43.340 -20.766 -14.505 1.00 24.32 H +ATOM 2050 N GLY B 31 44.524 -17.137 -11.566 1.00 20.88 N +ATOM 2051 CA GLY B 31 45.126 -16.338 -10.518 1.00 15.23 C +ATOM 2052 C GLY B 31 44.585 -14.934 -10.391 1.00 15.33 C +ATOM 2053 O GLY B 31 45.027 -14.213 -9.484 1.00 15.41 O +ATOM 2054 H GLY B 31 44.874 -17.029 -12.507 1.00 20.88 H +ATOM 2055 HA3 GLY B 31 46.204 -16.296 -10.671 1.00 15.23 H +ATOM 2056 HA2 GLY B 31 45.017 -16.854 -9.564 1.00 15.23 H +ATOM 2057 N TYR B 32 43.658 -14.490 -11.249 1.00 15.13 N +ATOM 2058 CA TYR B 32 43.196 -13.097 -11.238 1.00 14.68 C +ATOM 2059 C TYR B 32 41.710 -12.987 -11.520 1.00 14.32 C +ATOM 2060 O TYR B 32 41.143 -13.846 -12.189 1.00 17.57 O +ATOM 2061 CB TYR B 32 43.891 -12.222 -12.307 1.00 15.70 C +ATOM 2062 CG TYR B 32 45.370 -12.107 -12.070 1.00 16.43 C +ATOM 2063 CD1 TYR B 32 46.196 -13.092 -12.594 1.00 16.49 C +ATOM 2064 CD2 TYR B 32 45.858 -11.081 -11.286 1.00 16.88 C +ATOM 2065 CE1 TYR B 32 47.535 -13.059 -12.321 1.00 19.32 C +ATOM 2066 CE2 TYR B 32 47.200 -11.036 -11.012 1.00 18.33 C +ATOM 2067 CZ TYR B 32 48.011 -12.032 -11.533 1.00 21.50 C +ATOM 2068 OH TYR B 32 49.354 -12.005 -11.246 1.00 24.53 O +ATOM 2069 H TYR B 32 43.256 -15.120 -11.929 1.00 15.13 H +ATOM 2070 HA TYR B 32 43.397 -12.671 -10.255 1.00 14.68 H +ATOM 2071 HB3 TYR B 32 43.445 -11.227 -12.307 1.00 15.70 H +ATOM 2072 HB2 TYR B 32 43.714 -12.648 -13.295 1.00 15.70 H +ATOM 2073 HD1 TYR B 32 45.779 -13.874 -13.211 1.00 16.49 H +ATOM 2074 HD2 TYR B 32 45.185 -10.330 -10.899 1.00 16.88 H +ATOM 2075 HE1 TYR B 32 48.186 -13.823 -12.719 1.00 19.32 H +ATOM 2076 HE2 TYR B 32 47.601 -10.238 -10.404 1.00 18.33 H +ATOM 2077 HH TYR B 32 49.556 -11.219 -10.733 1.00 24.53 H +ATOM 2078 N GLY B 33 41.065 -11.924 -11.044 1.00 14.65 N +ATOM 2079 CA GLY B 33 39.686 -11.730 -11.411 1.00 14.80 C +ATOM 2080 C GLY B 33 39.614 -10.832 -12.656 1.00 15.72 C +ATOM 2081 O GLY B 33 40.567 -10.108 -12.987 1.00 15.72 O +ATOM 2082 H GLY B 33 41.543 -11.273 -10.438 1.00 14.65 H +ATOM 2083 HA3 GLY B 33 39.155 -11.252 -10.588 1.00 14.80 H +ATOM 2084 HA2 GLY B 33 39.230 -12.695 -11.632 1.00 14.80 H +ATOM 2085 N VAL B 34 38.517 -10.854 -13.395 1.00 14.94 N +ATOM 2086 CA VAL B 34 38.293 -9.944 -14.502 1.00 14.19 C +ATOM 2087 C VAL B 34 36.941 -9.277 -14.227 1.00 14.07 C +ATOM 2088 O VAL B 34 35.942 -9.925 -13.908 1.00 12.92 O +ATOM 2089 CB VAL B 34 38.247 -10.687 -15.870 1.00 13.39 C +ATOM 2090 CG1 VAL B 34 37.964 -9.743 -17.027 1.00 14.11 C +ATOM 2091 CG2 VAL B 34 39.625 -11.287 -16.147 1.00 16.22 C +ATOM 2092 H VAL B 34 37.789 -11.526 -13.198 1.00 14.94 H +ATOM 2093 HA VAL B 34 39.078 -9.188 -14.521 1.00 14.19 H +ATOM 2094 HB VAL B 34 37.496 -11.476 -15.841 1.00 13.39 H +ATOM 2095 HG11 VAL B 34 37.942 -10.307 -17.960 1.00 14.11 H +ATOM 2096 HG12 VAL B 34 37.000 -9.258 -16.873 1.00 14.11 H +ATOM 2097 HG13 VAL B 34 38.747 -8.986 -17.079 1.00 14.11 H +ATOM 2098 HG21 VAL B 34 39.608 -11.811 -17.103 1.00 16.22 H +ATOM 2099 HG22 VAL B 34 40.368 -10.490 -16.183 1.00 16.22 H +ATOM 2100 HG23 VAL B 34 39.883 -11.988 -15.353 1.00 16.22 H +ATOM 2101 N ASN B 35 36.908 -7.952 -14.298 1.00 12.04 N +ATOM 2102 CA ASN B 35 35.716 -7.133 -14.065 1.00 12.50 C +ATOM 2103 C ASN B 35 35.261 -6.595 -15.412 1.00 14.12 C +ATOM 2104 O ASN B 35 36.049 -6.454 -16.362 1.00 15.61 O +ATOM 2105 CB ASN B 35 36.000 -5.913 -13.189 1.00 12.12 C +ATOM 2106 CG ASN B 35 36.279 -6.196 -11.729 1.00 14.94 C +ATOM 2107 OD1 ASN B 35 35.683 -5.576 -10.848 1.00 11.60 O +ATOM 2108 ND2 ASN B 35 37.179 -7.104 -11.354 1.00 13.74 N +ATOM 2109 H ASN B 35 37.746 -7.437 -14.527 1.00 12.04 H +ATOM 2110 HA ASN B 35 34.927 -7.739 -13.618 1.00 12.50 H +ATOM 2111 HB3 ASN B 35 35.168 -5.213 -13.267 1.00 12.12 H +ATOM 2112 HB2 ASN B 35 36.834 -5.353 -13.612 1.00 12.12 H +ATOM 2113 HD22 ASN B 35 37.346 -7.274 -10.373 1.00 13.74 H +ATOM 2114 HD21 ASN B 35 37.694 -7.623 -12.051 1.00 13.74 H +ATOM 2115 N TRP B 36 33.994 -6.241 -15.480 1.00 12.47 N +ATOM 2116 CA TRP B 36 33.417 -5.665 -16.660 1.00 12.22 C +ATOM 2117 C TRP B 36 32.828 -4.341 -16.173 1.00 15.10 C +ATOM 2118 O TRP B 36 32.183 -4.258 -15.108 1.00 10.70 O +ATOM 2119 CB TRP B 36 32.319 -6.588 -17.212 1.00 14.82 C +ATOM 2120 CG TRP B 36 32.823 -7.791 -17.999 1.00 15.53 C +ATOM 2121 CD1 TRP B 36 32.881 -9.043 -17.458 1.00 17.47 C +ATOM 2122 CD2 TRP B 36 33.210 -7.765 -19.319 1.00 16.99 C +ATOM 2123 NE1 TRP B 36 33.295 -9.810 -18.442 1.00 18.58 N +ATOM 2124 CE2 TRP B 36 33.501 -9.099 -19.559 1.00 17.54 C +ATOM 2125 CE3 TRP B 36 33.342 -6.798 -20.310 1.00 17.26 C +ATOM 2126 CZ2 TRP B 36 33.925 -9.521 -20.798 1.00 13.63 C +ATOM 2127 CZ3 TRP B 36 33.769 -7.215 -21.555 1.00 17.66 C +ATOM 2128 CH2 TRP B 36 34.056 -8.557 -21.784 1.00 17.17 C +ATOM 2129 H TRP B 36 33.389 -6.372 -14.682 1.00 12.47 H +ATOM 2130 HA TRP B 36 34.184 -5.489 -17.414 1.00 12.22 H +ATOM 2131 HB3 TRP B 36 31.640 -6.007 -17.837 1.00 14.82 H +ATOM 2132 HB2 TRP B 36 31.691 -6.932 -16.391 1.00 14.82 H +ATOM 2133 HD1 TRP B 36 32.610 -9.198 -16.424 1.00 17.47 H +ATOM 2134 HE1 TRP B 36 33.417 -10.801 -18.293 1.00 18.58 H +ATOM 2135 HE3 TRP B 36 33.113 -5.765 -20.091 1.00 17.26 H +ATOM 2136 HZ2 TRP B 36 34.140 -10.566 -20.968 1.00 13.63 H +ATOM 2137 HZ3 TRP B 36 33.881 -6.499 -22.355 1.00 17.66 H +ATOM 2138 HH2 TRP B 36 34.391 -8.837 -22.772 1.00 17.17 H +ATOM 2139 N VAL B 37 33.131 -3.299 -16.938 1.00 15.20 N +ATOM 2140 CA VAL B 37 32.776 -1.917 -16.652 1.00 15.14 C +ATOM 2141 C VAL B 37 32.253 -1.258 -17.932 1.00 17.29 C +ATOM 2142 O VAL B 37 32.809 -1.501 -19.013 1.00 16.71 O +ATOM 2143 CB VAL B 37 34.068 -1.203 -16.128 1.00 13.69 C +ATOM 2144 CG1 VAL B 37 33.844 0.333 -16.052 1.00 14.15 C +ATOM 2145 CG2 VAL B 37 34.437 -1.713 -14.764 1.00 11.06 C +ATOM 2146 H VAL B 37 33.648 -3.435 -17.795 1.00 15.20 H +ATOM 2147 HA VAL B 37 32.004 -1.888 -15.883 1.00 15.14 H +ATOM 2148 HB VAL B 37 34.889 -1.407 -16.816 1.00 13.69 H +ATOM 2149 HG11 VAL B 37 34.751 0.815 -15.686 1.00 14.15 H +ATOM 2150 HG12 VAL B 37 33.605 0.715 -17.044 1.00 14.15 H +ATOM 2151 HG13 VAL B 37 33.019 0.547 -15.372 1.00 14.15 H +ATOM 2152 HG21 VAL B 37 35.337 -1.205 -14.417 1.00 11.06 H +ATOM 2153 HG22 VAL B 37 33.620 -1.518 -14.069 1.00 11.06 H +ATOM 2154 HG23 VAL B 37 34.622 -2.786 -14.815 1.00 11.06 H +ATOM 2155 N ARG B 38 31.210 -0.428 -17.916 1.00 16.80 N +ATOM 2156 CA ARG B 38 30.857 0.277 -19.152 1.00 16.44 C +ATOM 2157 C ARG B 38 30.823 1.793 -18.933 1.00 16.96 C +ATOM 2158 O ARG B 38 30.878 2.297 -17.796 1.00 15.67 O +ATOM 2159 CB ARG B 38 29.499 -0.191 -19.693 1.00 16.22 C +ATOM 2160 CG ARG B 38 28.318 0.185 -18.834 1.00 17.29 C +ATOM 2161 CD ARG B 38 27.067 -0.424 -19.381 1.00 19.24 C +ATOM 2162 NE ARG B 38 25.955 -0.020 -18.550 1.00 24.47 N +ATOM 2163 CZ ARG B 38 24.713 -0.499 -18.711 1.00 24.31 C +ATOM 2164 NH1 ARG B 38 24.418 -1.371 -19.674 1.00 23.72 N +ATOM 2165 NH2 ARG B 38 23.760 -0.095 -17.866 1.00 22.92 N +ATOM 2166 H ARG B 38 30.682 -0.296 -17.065 1.00 16.80 H +ATOM 2167 HA ARG B 38 31.618 0.057 -19.901 1.00 16.44 H +ATOM 2168 HB3 ARG B 38 29.517 -1.272 -19.828 1.00 16.22 H +ATOM 2169 HB2 ARG B 38 29.355 0.205 -20.698 1.00 16.22 H +ATOM 2170 HG3 ARG B 38 28.215 1.270 -18.814 1.00 17.29 H +ATOM 2171 HG2 ARG B 38 28.481 -0.172 -17.817 1.00 17.29 H +ATOM 2172 HD3 ARG B 38 27.155 -1.510 -19.366 1.00 19.24 H +ATOM 2173 HD2 ARG B 38 26.906 -0.070 -20.399 1.00 19.24 H +ATOM 2174 HE ARG B 38 26.146 0.654 -17.822 1.00 24.47 H +ATOM 2175 HH12 ARG B 38 23.473 -1.715 -19.772 1.00 23.72 H +ATOM 2176 HH11 ARG B 38 25.139 -1.688 -20.306 1.00 23.72 H +ATOM 2177 HH22 ARG B 38 22.816 -0.441 -17.966 1.00 22.92 H +ATOM 2178 HH21 ARG B 38 23.983 0.557 -17.127 1.00 22.92 H +ATOM 2179 N GLN B 39 30.847 2.556 -20.012 1.00 16.49 N +ATOM 2180 CA GLN B 39 30.822 4.002 -19.917 1.00 16.61 C +ATOM 2181 C GLN B 39 29.917 4.541 -21.015 1.00 19.66 C +ATOM 2182 O GLN B 39 30.293 4.444 -22.195 1.00 19.28 O +ATOM 2183 CB GLN B 39 32.225 4.536 -20.080 1.00 13.66 C +ATOM 2184 CG GLN B 39 32.281 6.044 -20.029 1.00 15.22 C +ATOM 2185 CD GLN B 39 33.716 6.492 -19.925 1.00 17.59 C +ATOM 2186 OE1 GLN B 39 34.624 5.852 -20.471 1.00 21.00 O +ATOM 2187 NE2 GLN B 39 33.981 7.526 -19.143 1.00 16.29 N +ATOM 2188 H GLN B 39 30.884 2.133 -20.929 1.00 16.49 H +ATOM 2189 HA GLN B 39 30.430 4.297 -18.944 1.00 16.61 H +ATOM 2190 HB3 GLN B 39 32.636 4.190 -21.028 1.00 13.66 H +ATOM 2191 HB2 GLN B 39 32.863 4.123 -19.298 1.00 13.66 H +ATOM 2192 HG3 GLN B 39 31.726 6.399 -19.161 1.00 15.22 H +ATOM 2193 HG2 GLN B 39 31.837 6.455 -20.936 1.00 15.22 H +ATOM 2194 HE22 GLN B 39 34.931 7.856 -19.047 1.00 16.29 H +ATOM 2195 HE21 GLN B 39 33.234 7.985 -18.642 1.00 16.29 H +ATOM 2196 N PRO B 40 28.701 5.043 -20.748 1.00 21.08 N +ATOM 2197 CA PRO B 40 27.815 5.638 -21.748 1.00 23.48 C +ATOM 2198 C PRO B 40 28.489 6.863 -22.344 1.00 25.08 C +ATOM 2199 O PRO B 40 29.371 7.454 -21.699 1.00 23.75 O +ATOM 2200 CB PRO B 40 26.529 5.963 -20.992 1.00 23.01 C +ATOM 2201 CG PRO B 40 26.591 5.019 -19.823 1.00 23.55 C +ATOM 2202 CD PRO B 40 28.061 5.081 -19.433 1.00 23.25 C +ATOM 2203 HA PRO B 40 27.607 4.913 -22.534 1.00 23.48 H +ATOM 2204 HB3 PRO B 40 25.672 5.707 -21.615 1.00 23.01 H +ATOM 2205 HB2 PRO B 40 26.576 6.989 -20.628 1.00 23.01 H +ATOM 2206 HG3 PRO B 40 26.352 4.011 -20.163 1.00 23.55 H +ATOM 2207 HG2 PRO B 40 25.986 5.417 -19.008 1.00 23.55 H +ATOM 2208 HD2 PRO B 40 28.266 6.043 -18.964 1.00 23.25 H +ATOM 2209 HD3 PRO B 40 28.323 4.178 -18.882 1.00 23.25 H +ATOM 2210 N PRO B 41 28.123 7.263 -23.564 1.00 30.06 N +ATOM 2211 CA PRO B 41 28.678 8.423 -24.256 1.00 30.50 C +ATOM 2212 C PRO B 41 28.669 9.636 -23.356 1.00 30.23 C +ATOM 2213 O PRO B 41 27.635 9.988 -22.788 1.00 29.21 O +ATOM 2214 CB PRO B 41 27.804 8.588 -25.478 1.00 32.64 C +ATOM 2215 CG PRO B 41 27.402 7.162 -25.789 1.00 33.24 C +ATOM 2216 CD PRO B 41 27.101 6.616 -24.394 1.00 31.51 C +ATOM 2217 HA PRO B 41 29.700 8.207 -24.566 1.00 30.50 H +ATOM 2218 HB3 PRO B 41 28.405 8.979 -26.299 1.00 32.64 H +ATOM 2219 HB2 PRO B 41 26.916 9.161 -25.210 1.00 32.64 H +ATOM 2220 HG3 PRO B 41 28.259 6.631 -26.204 1.00 33.24 H +ATOM 2221 HG2 PRO B 41 26.484 7.169 -26.376 1.00 33.24 H +ATOM 2222 HD2 PRO B 41 26.114 6.957 -24.080 1.00 31.51 H +ATOM 2223 HD3 PRO B 41 27.262 5.538 -24.387 1.00 31.51 H +ATOM 2224 N GLY B 42 29.880 10.146 -23.151 1.00 32.56 N +ATOM 2225 CA GLY B 42 30.141 11.317 -22.331 1.00 32.56 C +ATOM 2226 C GLY B 42 29.638 11.183 -20.900 1.00 34.06 C +ATOM 2227 O GLY B 42 29.242 12.183 -20.297 1.00 33.26 O +ATOM 2228 H GLY B 42 30.688 9.716 -23.578 1.00 32.56 H +ATOM 2229 HA3 GLY B 42 29.685 12.192 -22.794 1.00 32.56 H +ATOM 2230 HA2 GLY B 42 31.212 11.520 -22.320 1.00 32.56 H +ATOM 2231 N LYS B 43 29.598 9.956 -20.355 1.00 32.00 N +ATOM 2232 CA LYS B 43 29.167 9.719 -18.989 1.00 29.32 C +ATOM 2233 C LYS B 43 30.296 9.085 -18.188 1.00 24.44 C +ATOM 2234 O LYS B 43 31.385 8.866 -18.723 1.00 22.52 O +ATOM 2235 CB LYS B 43 27.964 8.798 -18.987 1.00 33.08 C +ATOM 2236 CG LYS B 43 26.579 9.402 -18.820 1.00 41.04 C +ATOM 2237 CD LYS B 43 26.207 10.427 -19.882 1.00 46.43 C +ATOM 2238 CE LYS B 43 24.730 10.769 -19.782 1.00 50.36 C +ATOM 2239 NZ LYS B 43 24.442 12.021 -20.462 1.00 53.25 N +ATOM 2240 H LYS B 43 29.875 9.152 -20.900 1.00 32.00 H +ATOM 2241 HA LYS B 43 28.892 10.669 -18.530 1.00 29.32 H +ATOM 2242 HB3 LYS B 43 28.109 8.025 -18.232 1.00 33.08 H +ATOM 2243 HB2 LYS B 43 27.980 8.189 -19.891 1.00 33.08 H +ATOM 2244 HG3 LYS B 43 26.501 9.859 -17.834 1.00 41.04 H +ATOM 2245 HG2 LYS B 43 25.836 8.605 -18.812 1.00 41.04 H +ATOM 2246 HD3 LYS B 43 26.419 10.019 -20.870 1.00 46.43 H +ATOM 2247 HD2 LYS B 43 26.799 11.331 -19.738 1.00 46.43 H +ATOM 2248 HE3 LYS B 43 24.447 10.852 -18.733 1.00 50.36 H +ATOM 2249 HE2 LYS B 43 24.141 9.969 -20.230 1.00 50.36 H +ATOM 2250 HZ1 LYS B 43 24.692 11.940 -21.437 1.00 53.25 H +ATOM 2251 HZ2 LYS B 43 23.457 12.229 -20.383 1.00 53.25 H +ATOM 2252 HZ3 LYS B 43 24.977 12.766 -20.039 1.00 53.25 H +ATOM 2253 N GLY B 44 30.070 8.772 -16.915 1.00 20.86 N +ATOM 2254 CA GLY B 44 31.065 8.194 -16.044 1.00 17.04 C +ATOM 2255 C GLY B 44 31.052 6.678 -16.109 1.00 16.30 C +ATOM 2256 O GLY B 44 30.279 6.074 -16.851 1.00 17.97 O +ATOM 2257 H GLY B 44 29.160 8.937 -16.508 1.00 20.86 H +ATOM 2258 HA3 GLY B 44 30.880 8.515 -15.019 1.00 17.04 H +ATOM 2259 HA2 GLY B 44 32.052 8.561 -16.327 1.00 17.04 H +ATOM 2260 N LEU B 45 31.920 6.031 -15.345 1.00 17.07 N +ATOM 2261 CA LEU B 45 32.060 4.576 -15.391 1.00 16.32 C +ATOM 2262 C LEU B 45 30.990 3.891 -14.573 1.00 14.23 C +ATOM 2263 O LEU B 45 30.569 4.453 -13.551 1.00 14.47 O +ATOM 2264 CB LEU B 45 33.448 4.219 -14.882 1.00 14.93 C +ATOM 2265 CG LEU B 45 34.611 4.833 -15.668 1.00 17.81 C +ATOM 2266 CD1 LEU B 45 35.896 4.633 -14.878 1.00 16.14 C +ATOM 2267 CD2 LEU B 45 34.671 4.224 -17.083 1.00 16.36 C +ATOM 2268 H LEU B 45 32.511 6.544 -14.706 1.00 17.07 H +ATOM 2269 HA LEU B 45 31.972 4.248 -16.427 1.00 16.32 H +ATOM 2270 HB3 LEU B 45 33.558 3.135 -14.865 1.00 14.93 H +ATOM 2271 HB2 LEU B 45 33.532 4.504 -13.833 1.00 14.93 H +ATOM 2272 HG LEU B 45 34.432 5.904 -15.764 1.00 17.81 H +ATOM 2273 HD11 LEU B 45 36.732 5.066 -15.427 1.00 16.14 H +ATOM 2274 HD12 LEU B 45 35.807 5.122 -13.908 1.00 16.14 H +ATOM 2275 HD13 LEU B 45 36.071 3.567 -14.732 1.00 16.14 H +ATOM 2276 HD21 LEU B 45 35.501 4.666 -17.635 1.00 16.36 H +ATOM 2277 HD22 LEU B 45 34.818 3.146 -17.009 1.00 16.36 H +ATOM 2278 HD23 LEU B 45 33.737 4.428 -17.607 1.00 16.36 H +ATOM 2279 N GLU B 46 30.543 2.712 -15.005 1.00 14.33 N +ATOM 2280 CA GLU B 46 29.525 1.952 -14.307 1.00 16.01 C +ATOM 2281 C GLU B 46 30.016 0.532 -14.152 1.00 16.21 C +ATOM 2282 O GLU B 46 30.392 -0.055 -15.174 1.00 15.95 O +ATOM 2283 CB GLU B 46 28.279 1.958 -15.119 1.00 16.89 C +ATOM 2284 CG GLU B 46 27.088 1.257 -14.509 1.00 24.86 C +ATOM 2285 CD GLU B 46 25.834 1.283 -15.382 1.00 28.86 C +ATOM 2286 OE1 GLU B 46 25.737 2.058 -16.344 1.00 34.68 O +ATOM 2287 OE2 GLU B 46 24.934 0.506 -15.087 1.00 33.57 O +ATOM 2288 H GLU B 46 30.915 2.311 -15.854 1.00 14.33 H +ATOM 2289 HA GLU B 46 29.336 2.391 -13.328 1.00 16.01 H +ATOM 2290 HB3 GLU B 46 28.486 1.528 -16.099 1.00 16.89 H +ATOM 2291 HB2 GLU B 46 28.008 2.987 -15.355 1.00 16.89 H +ATOM 2292 HG3 GLU B 46 26.863 1.703 -13.540 1.00 24.86 H +ATOM 2293 HG2 GLU B 46 27.352 0.223 -14.287 1.00 24.86 H +ATOM 2294 N TRP B 47 30.054 -0.021 -12.931 1.00 14.23 N +ATOM 2295 CA TRP B 47 30.489 -1.404 -12.698 1.00 16.28 C +ATOM 2296 C TRP B 47 29.367 -2.395 -13.051 1.00 16.02 C +ATOM 2297 O TRP B 47 28.195 -2.206 -12.679 1.00 17.99 O +ATOM 2298 CB TRP B 47 30.924 -1.573 -11.210 1.00 15.69 C +ATOM 2299 CG TRP B 47 31.604 -2.899 -10.816 1.00 14.20 C +ATOM 2300 CD1 TRP B 47 32.942 -3.087 -11.073 1.00 15.76 C +ATOM 2301 CD2 TRP B 47 31.021 -4.005 -10.200 1.00 16.79 C +ATOM 2302 NE1 TRP B 47 33.205 -4.291 -10.624 1.00 15.94 N +ATOM 2303 CE2 TRP B 47 32.102 -4.884 -10.109 1.00 17.80 C +ATOM 2304 CE3 TRP B 47 29.775 -4.420 -9.716 1.00 18.06 C +ATOM 2305 CZ2 TRP B 47 31.961 -6.149 -9.535 1.00 14.61 C +ATOM 2306 CZ3 TRP B 47 29.641 -5.683 -9.148 1.00 14.08 C +ATOM 2307 CH2 TRP B 47 30.714 -6.542 -9.062 1.00 14.96 C +ATOM 2308 H TRP B 47 29.776 0.518 -12.124 1.00 14.23 H +ATOM 2309 HA TRP B 47 31.348 -1.610 -13.337 1.00 16.28 H +ATOM 2310 HB3 TRP B 47 30.062 -1.407 -10.564 1.00 15.69 H +ATOM 2311 HB2 TRP B 47 31.571 -0.742 -10.930 1.00 15.69 H +ATOM 2312 HD1 TRP B 47 33.515 -2.306 -11.552 1.00 15.76 H +ATOM 2313 HE1 TRP B 47 34.142 -4.661 -10.690 1.00 15.94 H +ATOM 2314 HE3 TRP B 47 28.922 -3.761 -9.784 1.00 18.06 H +ATOM 2315 HZ2 TRP B 47 32.814 -6.807 -9.463 1.00 14.61 H +ATOM 2316 HZ3 TRP B 47 28.683 -6.004 -8.765 1.00 14.08 H +ATOM 2317 HH2 TRP B 47 30.586 -7.522 -8.626 1.00 14.96 H +ATOM 2318 N LEU B 48 29.689 -3.439 -13.823 1.00 12.01 N +ATOM 2319 CA LEU B 48 28.701 -4.440 -14.206 1.00 12.15 C +ATOM 2320 C LEU B 48 28.826 -5.725 -13.415 1.00 12.97 C +ATOM 2321 O LEU B 48 27.803 -6.295 -13.022 1.00 13.25 O +ATOM 2322 CB LEU B 48 28.812 -4.766 -15.708 1.00 12.88 C +ATOM 2323 CG LEU B 48 28.613 -3.554 -16.634 1.00 18.40 C +ATOM 2324 CD1 LEU B 48 28.852 -3.959 -18.075 1.00 18.90 C +ATOM 2325 CD2 LEU B 48 27.210 -2.998 -16.481 1.00 15.50 C +ATOM 2326 H LEU B 48 30.636 -3.548 -14.155 1.00 12.01 H +ATOM 2327 HA LEU B 48 27.710 -4.025 -14.022 1.00 12.15 H +ATOM 2328 HB3 LEU B 48 28.088 -5.539 -15.964 1.00 12.88 H +ATOM 2329 HB2 LEU B 48 29.783 -5.218 -15.909 1.00 12.88 H +ATOM 2330 HG LEU B 48 29.331 -2.780 -16.361 1.00 18.40 H +ATOM 2331 HD11 LEU B 48 28.709 -3.095 -18.724 1.00 18.90 H +ATOM 2332 HD12 LEU B 48 29.871 -4.330 -18.184 1.00 18.90 H +ATOM 2333 HD13 LEU B 48 28.148 -4.743 -18.354 1.00 18.90 H +ATOM 2334 HD21 LEU B 48 27.084 -2.141 -17.142 1.00 15.50 H +ATOM 2335 HD22 LEU B 48 26.483 -3.767 -16.742 1.00 15.50 H +ATOM 2336 HD23 LEU B 48 27.053 -2.686 -15.449 1.00 15.50 H +ATOM 2337 N GLY B 49 30.035 -6.171 -13.084 1.00 13.08 N +ATOM 2338 CA GLY B 49 30.211 -7.432 -12.404 1.00 12.99 C +ATOM 2339 C GLY B 49 31.609 -7.968 -12.579 1.00 14.15 C +ATOM 2340 O GLY B 49 32.454 -7.299 -13.190 1.00 13.72 O +ATOM 2341 H GLY B 49 30.854 -5.624 -13.308 1.00 13.08 H +ATOM 2342 HA3 GLY B 49 29.494 -8.156 -12.791 1.00 12.99 H +ATOM 2343 HA2 GLY B 49 30.002 -7.304 -11.342 1.00 12.99 H +ATOM 2344 N MET B 50 31.859 -9.164 -12.059 1.00 13.88 N +ATOM 2345 CA MET B 50 33.170 -9.785 -12.130 1.00 13.06 C +ATOM 2346 C MET B 50 33.103 -11.301 -12.006 1.00 14.12 C +ATOM 2347 O MET B 50 32.080 -11.876 -11.620 1.00 13.38 O +ATOM 2348 CB MET B 50 34.037 -9.246 -11.017 1.00 13.98 C +ATOM 2349 CG MET B 50 33.638 -9.738 -9.612 1.00 12.71 C +ATOM 2350 SD MET B 50 34.588 -8.921 -8.354 1.00 16.17 S +ATOM 2351 CE MET B 50 36.130 -9.691 -8.681 1.00 9.57 C +ATOM 2352 H MET B 50 31.123 -9.676 -11.593 1.00 13.88 H +ATOM 2353 HA MET B 50 33.628 -9.531 -13.086 1.00 13.06 H +ATOM 2354 HB3 MET B 50 34.016 -8.156 -11.038 1.00 13.98 H +ATOM 2355 HB2 MET B 50 35.077 -9.509 -11.210 1.00 13.98 H +ATOM 2356 HG3 MET B 50 33.797 -10.814 -9.546 1.00 12.71 H +ATOM 2357 HG2 MET B 50 32.578 -9.546 -9.448 1.00 12.71 H +ATOM 2358 HE1 MET B 50 36.881 -9.311 -7.988 1.00 9.57 H +ATOM 2359 HE2 MET B 50 36.032 -10.769 -8.555 1.00 9.57 H +ATOM 2360 HE3 MET B 50 36.437 -9.471 -9.704 1.00 9.57 H +ATOM 2361 N ILE B 51 34.218 -11.932 -12.345 1.00 15.02 N +ATOM 2362 CA ILE B 51 34.414 -13.350 -12.139 1.00 14.89 C +ATOM 2363 C ILE B 51 35.837 -13.422 -11.570 1.00 15.19 C +ATOM 2364 O ILE B 51 36.815 -12.769 -12.018 1.00 10.95 O +ATOM 2365 CB ILE B 51 34.244 -14.146 -13.491 1.00 14.38 C +ATOM 2366 CG1 ILE B 51 34.357 -15.655 -13.155 1.00 14.06 C +ATOM 2367 CG2 ILE B 51 35.237 -13.655 -14.574 1.00 11.62 C +ATOM 2368 CD1 ILE B 51 33.777 -16.639 -14.218 1.00 12.56 C +ATOM 2369 H ILE B 51 34.979 -11.420 -12.768 1.00 15.02 H +ATOM 2370 HA ILE B 51 33.702 -13.718 -11.401 1.00 14.89 H +ATOM 2371 HB ILE B 51 33.235 -13.963 -13.859 1.00 14.38 H +ATOM 2372 HG13 ILE B 51 33.883 -15.845 -12.192 1.00 14.06 H +ATOM 2373 HG12 ILE B 51 35.401 -15.904 -12.966 1.00 14.06 H +ATOM 2374 HG21 ILE B 51 35.089 -14.227 -15.490 1.00 11.62 H +ATOM 2375 HG22 ILE B 51 35.063 -12.598 -14.775 1.00 11.62 H +ATOM 2376 HG23 ILE B 51 36.259 -13.794 -14.221 1.00 11.62 H +ATOM 2377 HD11 ILE B 51 33.912 -17.665 -13.876 1.00 12.56 H +ATOM 2378 HD12 ILE B 51 32.714 -16.440 -14.357 1.00 12.56 H +ATOM 2379 HD13 ILE B 51 34.299 -16.501 -15.165 1.00 12.56 H +ATOM 2380 N TRP B 52 35.809 -14.065 -10.397 1.00 11.32 N +ATOM 2381 CA TRP B 52 37.013 -14.326 -9.635 1.00 12.24 C +ATOM 2382 C TRP B 52 37.841 -15.442 -10.285 1.00 10.15 C +ATOM 2383 O TRP B 52 37.302 -16.259 -11.035 1.00 15.58 O +ATOM 2384 CB TRP B 52 36.632 -14.724 -8.195 1.00 12.73 C +ATOM 2385 CG TRP B 52 35.954 -13.630 -7.377 1.00 12.96 C +ATOM 2386 CD1 TRP B 52 34.591 -13.448 -7.392 1.00 12.90 C +ATOM 2387 CD2 TRP B 52 36.593 -12.707 -6.602 1.00 12.49 C +ATOM 2388 NE1 TRP B 52 34.372 -12.398 -6.648 1.00 12.02 N +ATOM 2389 CE2 TRP B 52 35.529 -11.924 -6.149 1.00 13.57 C +ATOM 2390 CE3 TRP B 52 37.874 -12.392 -6.221 1.00 10.28 C +ATOM 2391 CZ2 TRP B 52 35.739 -10.833 -5.312 1.00 13.37 C +ATOM 2392 CZ3 TRP B 52 38.077 -11.306 -5.391 1.00 13.20 C +ATOM 2393 CH2 TRP B 52 37.038 -10.522 -4.944 1.00 13.29 C +ATOM 2394 H TRP B 52 34.929 -14.385 -10.017 1.00 11.32 H +ATOM 2395 HA TRP B 52 37.613 -13.416 -9.602 1.00 12.24 H +ATOM 2396 HB3 TRP B 52 37.522 -15.068 -7.669 1.00 12.73 H +ATOM 2397 HB2 TRP B 52 35.990 -15.604 -8.222 1.00 12.73 H +ATOM 2398 HD1 TRP B 52 33.962 -14.123 -7.954 1.00 12.90 H +ATOM 2399 HE1 TRP B 52 33.430 -12.057 -6.520 1.00 12.02 H +ATOM 2400 HE3 TRP B 52 38.703 -12.989 -6.570 1.00 10.28 H +ATOM 2401 HZ2 TRP B 52 34.899 -10.250 -4.964 1.00 13.37 H +ATOM 2402 HZ3 TRP B 52 39.076 -11.049 -5.073 1.00 13.20 H +ATOM 2403 HH2 TRP B 52 37.230 -9.669 -4.310 1.00 13.29 H +ATOM 2404 N GLY B 53 39.104 -15.573 -9.879 1.00 13.65 N +ATOM 2405 CA GLY B 53 40.013 -16.626 -10.331 1.00 14.21 C +ATOM 2406 C GLY B 53 39.428 -18.014 -10.136 1.00 17.74 C +ATOM 2407 O GLY B 53 39.576 -18.900 -10.974 1.00 18.78 O +ATOM 2408 H GLY B 53 39.491 -14.918 -9.215 1.00 13.65 H +ATOM 2409 HA3 GLY B 53 40.955 -16.550 -9.787 1.00 14.21 H +ATOM 2410 HA2 GLY B 53 40.246 -16.476 -11.385 1.00 14.21 H +ATOM 2411 N ASP B 54 38.703 -18.200 -9.031 1.00 19.47 N +ATOM 2412 CA ASP B 54 38.024 -19.451 -8.736 1.00 17.54 C +ATOM 2413 C ASP B 54 36.701 -19.694 -9.443 1.00 17.62 C +ATOM 2414 O ASP B 54 36.041 -20.691 -9.178 1.00 20.70 O +ATOM 2415 CB ASP B 54 37.788 -19.563 -7.232 1.00 20.35 C +ATOM 2416 CG ASP B 54 36.897 -18.497 -6.588 1.00 20.04 C +ATOM 2417 OD1 ASP B 54 36.139 -17.809 -7.263 1.00 19.19 O +ATOM 2418 OD2 ASP B 54 36.970 -18.356 -5.376 1.00 21.88 O +ATOM 2419 H ASP B 54 38.609 -17.453 -8.357 1.00 19.47 H +ATOM 2420 HA ASP B 54 38.697 -20.260 -9.020 1.00 17.54 H +ATOM 2421 HB3 ASP B 54 38.749 -19.584 -6.719 1.00 20.35 H +ATOM 2422 HB2 ASP B 54 37.387 -20.551 -7.005 1.00 20.35 H +ATOM 2423 N GLY B 55 36.222 -18.800 -10.311 1.00 18.03 N +ATOM 2424 CA GLY B 55 34.983 -19.020 -11.047 1.00 15.07 C +ATOM 2425 C GLY B 55 33.723 -18.425 -10.443 1.00 15.35 C +ATOM 2426 O GLY B 55 32.674 -18.403 -11.089 1.00 18.00 O +ATOM 2427 H GLY B 55 36.722 -17.938 -10.475 1.00 18.03 H +ATOM 2428 HA3 GLY B 55 34.839 -20.090 -11.196 1.00 15.07 H +ATOM 2429 HA2 GLY B 55 35.101 -18.652 -12.066 1.00 15.07 H +ATOM 2430 N ASN B 56 33.754 -17.942 -9.202 1.00 17.08 N +ATOM 2431 CA ASN B 56 32.588 -17.303 -8.598 1.00 15.23 C +ATOM 2432 C ASN B 56 32.327 -15.982 -9.282 1.00 15.88 C +ATOM 2433 O ASN B 56 33.278 -15.332 -9.747 1.00 16.77 O +ATOM 2434 CB ASN B 56 32.821 -17.065 -7.118 1.00 15.51 C +ATOM 2435 CG ASN B 56 32.739 -18.366 -6.337 1.00 16.61 C +ATOM 2436 OD1 ASN B 56 31.600 -19.018 -6.283 1.00 18.31 O +ATOM 2437 ND2 ASN B 56 33.714 -18.805 -5.759 1.00 18.25 N +ATOM 2438 H ASN B 56 34.599 -18.013 -8.653 1.00 17.08 H +ATOM 2439 HA ASN B 56 31.720 -17.950 -8.724 1.00 15.23 H +ATOM 2440 HB3 ASN B 56 32.073 -16.367 -6.741 1.00 15.51 H +ATOM 2441 HB2 ASN B 56 33.804 -16.616 -6.973 1.00 15.51 H +ATOM 2442 HD22 ASN B 56 33.648 -19.671 -5.243 1.00 18.25 H +ATOM 2443 HD21 ASN B 56 34.590 -18.304 -5.795 1.00 18.25 H +ATOM 2444 N THR B 57 31.066 -15.595 -9.388 1.00 16.50 N +ATOM 2445 CA THR B 57 30.685 -14.350 -10.029 1.00 16.50 C +ATOM 2446 C THR B 57 29.946 -13.430 -9.069 1.00 17.94 C +ATOM 2447 O THR B 57 29.361 -13.910 -8.092 1.00 17.76 O +ATOM 2448 CB THR B 57 29.808 -14.667 -11.243 1.00 16.18 C +ATOM 2449 OG1 THR B 57 28.720 -15.498 -10.801 1.00 16.66 O +ATOM 2450 CG2 THR B 57 30.650 -15.305 -12.354 1.00 16.43 C +ATOM 2451 H THR B 57 30.327 -16.174 -9.015 1.00 16.50 H +ATOM 2452 HA THR B 57 31.587 -13.844 -10.373 1.00 16.50 H +ATOM 2453 HB THR B 57 29.394 -13.732 -11.620 1.00 16.18 H +ATOM 2454 HG1 THR B 57 28.209 -15.030 -10.136 1.00 16.66 H +ATOM 2455 HG21 THR B 57 30.014 -15.525 -13.211 1.00 16.43 H +ATOM 2456 HG22 THR B 57 31.438 -14.615 -12.655 1.00 16.43 H +ATOM 2457 HG23 THR B 57 31.097 -16.229 -11.987 1.00 16.43 H +ATOM 2458 N ASP B 58 30.011 -12.118 -9.266 1.00 15.66 N +ATOM 2459 CA ASP B 58 29.269 -11.142 -8.468 1.00 17.00 C +ATOM 2460 C ASP B 58 28.835 -10.078 -9.447 1.00 16.72 C +ATOM 2461 O ASP B 58 29.572 -9.779 -10.403 1.00 15.65 O +ATOM 2462 CB ASP B 58 30.126 -10.503 -7.358 1.00 18.58 C +ATOM 2463 CG ASP B 58 30.353 -11.455 -6.163 1.00 20.99 C +ATOM 2464 OD1 ASP B 58 29.382 -11.930 -5.562 1.00 22.90 O +ATOM 2465 OD2 ASP B 58 31.509 -11.740 -5.843 1.00 19.45 O +ATOM 2466 H ASP B 58 30.597 -11.746 -10.000 1.00 15.66 H +ATOM 2467 HA ASP B 58 28.392 -11.617 -8.028 1.00 17.00 H +ATOM 2468 HB3 ASP B 58 29.643 -9.591 -7.008 1.00 18.58 H +ATOM 2469 HB2 ASP B 58 31.089 -10.204 -7.771 1.00 18.58 H +ATOM 2470 N TYR B 59 27.634 -9.546 -9.281 1.00 16.37 N +ATOM 2471 CA TYR B 59 27.019 -8.643 -10.238 1.00 15.78 C +ATOM 2472 C TYR B 59 26.469 -7.376 -9.604 1.00 17.82 C +ATOM 2473 O TYR B 59 26.162 -7.315 -8.406 1.00 19.40 O +ATOM 2474 CB TYR B 59 25.869 -9.335 -10.937 1.00 16.04 C +ATOM 2475 CG TYR B 59 26.221 -10.624 -11.659 1.00 17.79 C +ATOM 2476 CD1 TYR B 59 26.767 -10.527 -12.921 1.00 18.25 C +ATOM 2477 CD2 TYR B 59 26.012 -11.862 -11.073 1.00 17.95 C +ATOM 2478 CE1 TYR B 59 27.124 -11.676 -13.606 1.00 18.63 C +ATOM 2479 CE2 TYR B 59 26.370 -13.011 -11.755 1.00 19.34 C +ATOM 2480 CZ TYR B 59 26.915 -12.902 -13.023 1.00 17.61 C +ATOM 2481 OH TYR B 59 27.250 -14.022 -13.752 1.00 18.13 O +ATOM 2482 H TYR B 59 27.096 -9.763 -8.454 1.00 16.37 H +ATOM 2483 HA TYR B 59 27.764 -8.365 -10.984 1.00 15.78 H +ATOM 2484 HB3 TYR B 59 25.407 -8.643 -11.641 1.00 16.04 H +ATOM 2485 HB2 TYR B 59 25.075 -9.531 -10.216 1.00 16.04 H +ATOM 2486 HD1 TYR B 59 26.915 -9.557 -13.372 1.00 18.25 H +ATOM 2487 HD2 TYR B 59 25.572 -11.926 -10.089 1.00 17.95 H +ATOM 2488 HE1 TYR B 59 27.563 -11.604 -14.590 1.00 18.63 H +ATOM 2489 HE2 TYR B 59 26.223 -13.978 -11.298 1.00 19.34 H +ATOM 2490 HH TYR B 59 27.057 -14.809 -13.237 1.00 18.13 H +ATOM 2491 N ASN B 60 26.386 -6.345 -10.444 1.00 18.17 N +ATOM 2492 CA ASN B 60 25.740 -5.077 -10.137 1.00 19.51 C +ATOM 2493 C ASN B 60 24.302 -5.426 -9.721 1.00 20.91 C +ATOM 2494 O ASN B 60 23.594 -6.174 -10.412 1.00 19.80 O +ATOM 2495 CB ASN B 60 25.756 -4.194 -11.399 1.00 21.25 C +ATOM 2496 CG ASN B 60 24.935 -2.898 -11.368 1.00 21.74 C +ATOM 2497 OD1 ASN B 60 23.746 -2.863 -11.034 1.00 21.18 O +ATOM 2498 ND2 ASN B 60 25.505 -1.777 -11.769 1.00 19.24 N +ATOM 2499 H ASN B 60 26.789 -6.413 -11.368 1.00 18.17 H +ATOM 2500 HA ASN B 60 26.259 -4.577 -9.319 1.00 19.51 H +ATOM 2501 HB3 ASN B 60 25.449 -4.791 -12.258 1.00 21.25 H +ATOM 2502 HB2 ASN B 60 26.788 -3.957 -11.657 1.00 21.25 H +ATOM 2503 HD22 ASN B 60 24.983 -0.913 -11.757 1.00 19.24 H +ATOM 2504 HD21 ASN B 60 26.463 -1.784 -12.088 1.00 19.24 H +ATOM 2505 N SER B 61 23.828 -4.874 -8.614 1.00 22.27 N +ATOM 2506 CA SER B 61 22.518 -5.195 -8.059 1.00 27.50 C +ATOM 2507 C SER B 61 21.353 -4.999 -9.022 1.00 27.86 C +ATOM 2508 O SER B 61 20.505 -5.879 -9.191 1.00 29.33 O +ATOM 2509 CB SER B 61 22.305 -4.336 -6.814 1.00 27.87 C +ATOM 2510 OG SER B 61 23.325 -4.641 -5.874 1.00 35.20 O +ATOM 2511 H SER B 61 24.381 -4.195 -8.111 1.00 22.27 H +ATOM 2512 HA SER B 61 22.529 -6.240 -7.750 1.00 27.50 H +ATOM 2513 HB3 SER B 61 21.331 -4.562 -6.379 1.00 27.87 H +ATOM 2514 HB2 SER B 61 22.365 -3.282 -7.086 1.00 27.87 H +ATOM 2515 HG SER B 61 23.344 -3.966 -5.191 1.00 35.20 H +ATOM 2516 N ALA B 62 21.360 -3.877 -9.736 1.00 27.45 N +ATOM 2517 CA ALA B 62 20.248 -3.559 -10.609 1.00 30.58 C +ATOM 2518 C ALA B 62 20.237 -4.383 -11.888 1.00 32.15 C +ATOM 2519 O ALA B 62 19.180 -4.647 -12.457 1.00 36.06 O +ATOM 2520 CB ALA B 62 20.297 -2.075 -10.981 1.00 27.44 C +ATOM 2521 H ALA B 62 22.143 -3.242 -9.671 1.00 27.45 H +ATOM 2522 HA ALA B 62 19.320 -3.749 -10.069 1.00 30.58 H +ATOM 2523 HB1 ALA B 62 19.460 -1.837 -11.638 1.00 27.44 H +ATOM 2524 HB2 ALA B 62 20.232 -1.471 -10.076 1.00 27.44 H +ATOM 2525 HB3 ALA B 62 21.234 -1.859 -11.494 1.00 27.44 H +ATOM 2526 N LEU B 63 21.400 -4.840 -12.343 1.00 32.37 N +ATOM 2527 CA LEU B 63 21.514 -5.491 -13.630 1.00 32.15 C +ATOM 2528 C LEU B 63 21.683 -6.984 -13.550 1.00 32.41 C +ATOM 2529 O LEU B 63 21.663 -7.668 -14.570 1.00 31.58 O +ATOM 2530 CB LEU B 63 22.690 -4.862 -14.384 1.00 32.12 C +ATOM 2531 CG LEU B 63 22.520 -3.534 -15.154 1.00 33.50 C +ATOM 2532 CD1 LEU B 63 21.761 -2.478 -14.368 1.00 35.07 C +ATOM 2533 CD2 LEU B 63 23.898 -2.981 -15.438 1.00 31.82 C +ATOM 2534 H LEU B 63 22.236 -4.737 -11.786 1.00 32.37 H +ATOM 2535 HA LEU B 63 20.604 -5.285 -14.193 1.00 32.15 H +ATOM 2536 HB3 LEU B 63 23.116 -5.607 -15.056 1.00 32.12 H +ATOM 2537 HB2 LEU B 63 23.536 -4.768 -13.703 1.00 32.12 H +ATOM 2538 HG LEU B 63 22.005 -3.725 -16.096 1.00 33.50 H +ATOM 2539 HD11 LEU B 63 21.677 -1.570 -14.966 1.00 35.07 H +ATOM 2540 HD12 LEU B 63 20.764 -2.849 -14.129 1.00 35.07 H +ATOM 2541 HD13 LEU B 63 22.297 -2.256 -13.445 1.00 35.07 H +ATOM 2542 HD21 LEU B 63 23.808 -2.041 -15.982 1.00 31.82 H +ATOM 2543 HD22 LEU B 63 24.421 -2.807 -14.498 1.00 31.82 H +ATOM 2544 HD23 LEU B 63 24.460 -3.696 -16.039 1.00 31.82 H +ATOM 2545 N LYS B 64 21.790 -7.526 -12.341 1.00 33.44 N +ATOM 2546 CA LYS B 64 22.046 -8.934 -12.126 1.00 34.04 C +ATOM 2547 C LYS B 64 21.161 -9.903 -12.900 1.00 35.57 C +ATOM 2548 O LYS B 64 21.647 -10.911 -13.408 1.00 36.48 O +ATOM 2549 CB LYS B 64 21.906 -9.197 -10.672 1.00 36.29 C +ATOM 2550 CG LYS B 64 22.441 -10.538 -10.209 1.00 41.20 C +ATOM 2551 CD LYS B 64 21.976 -10.830 -8.793 1.00 47.90 C +ATOM 2552 CE LYS B 64 22.141 -9.632 -7.827 1.00 52.88 C +ATOM 2553 NZ LYS B 64 20.900 -8.882 -7.654 1.00 54.54 N +ATOM 2554 H LYS B 64 21.692 -6.949 -11.518 1.00 33.44 H +ATOM 2555 HA LYS B 64 23.081 -9.132 -12.404 1.00 34.04 H +ATOM 2556 HB3 LYS B 64 20.857 -9.110 -10.389 1.00 36.29 H +ATOM 2557 HB2 LYS B 64 22.397 -8.400 -10.113 1.00 36.29 H +ATOM 2558 HG3 LYS B 64 23.531 -10.524 -10.238 1.00 41.20 H +ATOM 2559 HG2 LYS B 64 22.084 -11.322 -10.877 1.00 41.20 H +ATOM 2560 HD3 LYS B 64 22.523 -11.688 -8.402 1.00 47.90 H +ATOM 2561 HD2 LYS B 64 20.931 -11.138 -8.812 1.00 47.90 H +ATOM 2562 HE3 LYS B 64 22.917 -8.966 -8.205 1.00 52.88 H +ATOM 2563 HE2 LYS B 64 22.484 -9.993 -6.858 1.00 52.88 H +ATOM 2564 HZ1 LYS B 64 20.685 -8.385 -8.507 1.00 54.54 H +ATOM 2565 HZ2 LYS B 64 20.148 -9.520 -7.437 1.00 54.54 H +ATOM 2566 HZ3 LYS B 64 21.008 -8.221 -6.898 1.00 54.54 H +ATOM 2567 N SER B 65 19.876 -9.605 -13.071 1.00 35.69 N +ATOM 2568 CA SER B 65 18.924 -10.478 -13.756 1.00 36.10 C +ATOM 2569 C SER B 65 19.105 -10.609 -15.271 1.00 33.86 C +ATOM 2570 O SER B 65 18.491 -11.468 -15.905 1.00 34.56 O +ATOM 2571 CB SER B 65 17.514 -9.959 -13.471 1.00 37.71 C +ATOM 2572 OG SER B 65 17.472 -8.551 -13.704 1.00 42.62 O +ATOM 2573 H SER B 65 19.509 -8.733 -12.718 1.00 35.69 H +ATOM 2574 HA SER B 65 19.009 -11.474 -13.321 1.00 36.10 H +ATOM 2575 HB3 SER B 65 17.255 -10.163 -12.432 1.00 37.71 H +ATOM 2576 HB2 SER B 65 16.803 -10.457 -14.130 1.00 37.71 H +ATOM 2577 HG SER B 65 16.592 -8.301 -13.996 1.00 42.62 H +ATOM 2578 N ARG B 66 19.871 -9.683 -15.856 1.00 30.17 N +ATOM 2579 CA ARG B 66 20.116 -9.598 -17.282 1.00 26.83 C +ATOM 2580 C ARG B 66 21.521 -10.011 -17.669 1.00 24.82 C +ATOM 2581 O ARG B 66 21.809 -10.105 -18.862 1.00 22.98 O +ATOM 2582 CB ARG B 66 19.921 -8.172 -17.778 1.00 28.17 C +ATOM 2583 CG ARG B 66 18.554 -7.597 -17.506 1.00 31.21 C +ATOM 2584 CD ARG B 66 18.271 -6.445 -18.431 1.00 30.76 C +ATOM 2585 NE ARG B 66 19.004 -5.242 -18.103 1.00 35.07 N +ATOM 2586 CZ ARG B 66 19.714 -4.571 -19.015 1.00 36.11 C +ATOM 2587 NH1 ARG B 66 19.923 -5.050 -20.249 1.00 36.84 N +ATOM 2588 NH2 ARG B 66 20.251 -3.411 -18.650 1.00 35.59 N +ATOM 2589 H ARG B 66 20.327 -8.977 -15.296 1.00 30.17 H +ATOM 2590 HA ARG B 66 19.407 -10.247 -17.797 1.00 26.83 H +ATOM 2591 HB3 ARG B 66 20.123 -8.131 -18.848 1.00 28.17 H +ATOM 2592 HB2 ARG B 66 20.679 -7.528 -17.332 1.00 28.17 H +ATOM 2593 HG3 ARG B 66 18.504 -7.254 -16.473 1.00 31.21 H +ATOM 2594 HG2 ARG B 66 17.800 -8.371 -17.649 1.00 31.21 H +ATOM 2595 HD3 ARG B 66 17.202 -6.230 -18.425 1.00 30.76 H +ATOM 2596 HD2 ARG B 66 18.499 -6.739 -19.455 1.00 30.76 H +ATOM 2597 HE ARG B 66 18.967 -4.912 -17.149 1.00 35.07 H +ATOM 2598 HH12 ARG B 66 20.465 -4.516 -20.913 1.00 36.84 H +ATOM 2599 HH11 ARG B 66 19.539 -5.945 -20.515 1.00 36.84 H +ATOM 2600 HH22 ARG B 66 20.794 -2.875 -19.312 1.00 35.59 H +ATOM 2601 HH21 ARG B 66 20.116 -3.065 -17.711 1.00 35.59 H +ATOM 2602 N LEU B 67 22.398 -10.214 -16.680 1.00 24.01 N +ATOM 2603 CA LEU B 67 23.810 -10.466 -16.902 1.00 25.02 C +ATOM 2604 C LEU B 67 24.276 -11.840 -16.508 1.00 23.64 C +ATOM 2605 O LEU B 67 23.803 -12.444 -15.551 1.00 25.88 O +ATOM 2606 CB LEU B 67 24.692 -9.504 -16.125 1.00 27.18 C +ATOM 2607 CG LEU B 67 24.682 -8.026 -16.418 1.00 30.39 C +ATOM 2608 CD1 LEU B 67 25.625 -7.366 -15.443 1.00 31.69 C +ATOM 2609 CD2 LEU B 67 25.143 -7.732 -17.829 1.00 32.08 C +ATOM 2610 H LEU B 67 22.088 -10.196 -15.719 1.00 24.01 H +ATOM 2611 HA LEU B 67 24.015 -10.331 -17.964 1.00 25.02 H +ATOM 2612 HB3 LEU B 67 25.721 -9.863 -16.161 1.00 27.18 H +ATOM 2613 HB2 LEU B 67 24.520 -9.652 -15.059 1.00 27.18 H +ATOM 2614 HG LEU B 67 23.676 -7.633 -16.274 1.00 30.39 H +ATOM 2615 HD11 LEU B 67 25.644 -6.292 -15.626 1.00 31.69 H +ATOM 2616 HD12 LEU B 67 25.286 -7.555 -14.424 1.00 31.69 H +ATOM 2617 HD13 LEU B 67 26.627 -7.774 -15.574 1.00 31.69 H +ATOM 2618 HD21 LEU B 67 25.122 -6.656 -18.002 1.00 32.08 H +ATOM 2619 HD22 LEU B 67 26.160 -8.101 -17.964 1.00 32.08 H +ATOM 2620 HD23 LEU B 67 24.480 -8.227 -18.539 1.00 32.08 H +ATOM 2621 N SER B 68 25.290 -12.310 -17.204 1.00 23.41 N +ATOM 2622 CA SER B 68 25.881 -13.598 -16.967 1.00 22.88 C +ATOM 2623 C SER B 68 27.327 -13.451 -17.410 1.00 21.62 C +ATOM 2624 O SER B 68 27.580 -12.983 -18.530 1.00 21.86 O +ATOM 2625 CB SER B 68 25.137 -14.617 -17.807 1.00 23.50 C +ATOM 2626 OG SER B 68 25.835 -15.845 -17.750 1.00 30.31 O +ATOM 2627 H SER B 68 25.691 -11.757 -17.948 1.00 23.41 H +ATOM 2628 HA SER B 68 25.827 -13.858 -15.910 1.00 22.88 H +ATOM 2629 HB3 SER B 68 25.092 -14.273 -18.840 1.00 23.50 H +ATOM 2630 HB2 SER B 68 24.132 -14.752 -17.408 1.00 23.50 H +ATOM 2631 HG SER B 68 25.367 -16.453 -17.174 1.00 30.31 H +ATOM 2632 N ILE B 69 28.281 -13.722 -16.526 1.00 18.19 N +ATOM 2633 CA ILE B 69 29.696 -13.703 -16.881 1.00 15.41 C +ATOM 2634 C ILE B 69 30.229 -15.133 -16.737 1.00 15.66 C +ATOM 2635 O ILE B 69 29.875 -15.843 -15.780 1.00 18.79 O +ATOM 2636 CB ILE B 69 30.440 -12.704 -15.934 1.00 14.31 C +ATOM 2637 CG1 ILE B 69 29.984 -11.275 -16.224 1.00 13.50 C +ATOM 2638 CG2 ILE B 69 31.950 -12.837 -16.106 1.00 13.86 C +ATOM 2639 CD1 ILE B 69 30.446 -10.239 -15.190 1.00 14.90 C +ATOM 2640 H ILE B 69 28.036 -13.951 -15.573 1.00 18.19 H +ATOM 2641 HA ILE B 69 29.807 -13.376 -17.915 1.00 15.41 H +ATOM 2642 HB ILE B 69 30.185 -12.948 -14.903 1.00 14.31 H +ATOM 2643 HG13 ILE B 69 28.897 -11.251 -16.298 1.00 13.50 H +ATOM 2644 HG12 ILE B 69 30.333 -10.978 -17.213 1.00 13.50 H +ATOM 2645 HG21 ILE B 69 32.455 -12.136 -15.441 1.00 13.86 H +ATOM 2646 HG22 ILE B 69 32.256 -13.854 -15.861 1.00 13.86 H +ATOM 2647 HG23 ILE B 69 32.219 -12.616 -17.139 1.00 13.86 H +ATOM 2648 HD11 ILE B 69 30.078 -9.253 -15.474 1.00 14.90 H +ATOM 2649 HD12 ILE B 69 30.053 -10.504 -14.208 1.00 14.90 H +ATOM 2650 HD13 ILE B 69 31.535 -10.223 -15.153 1.00 14.90 H +ATOM 2651 N SER B 70 31.055 -15.618 -17.663 1.00 16.77 N +ATOM 2652 CA SER B 70 31.699 -16.914 -17.555 1.00 17.38 C +ATOM 2653 C SER B 70 33.086 -16.853 -18.192 1.00 20.52 C +ATOM 2654 O SER B 70 33.484 -15.816 -18.751 1.00 17.76 O +ATOM 2655 CB SER B 70 30.843 -17.950 -18.242 1.00 19.72 C +ATOM 2656 OG SER B 70 30.637 -17.617 -19.601 1.00 20.69 O +ATOM 2657 H SER B 70 31.260 -15.077 -18.491 1.00 16.77 H +ATOM 2658 HA SER B 70 31.801 -17.176 -16.502 1.00 17.38 H +ATOM 2659 HB3 SER B 70 29.880 -18.019 -17.735 1.00 19.72 H +ATOM 2660 HB2 SER B 70 31.329 -18.924 -18.177 1.00 19.72 H +ATOM 2661 HG SER B 70 31.465 -17.323 -19.988 1.00 20.69 H +ATOM 2662 N LYS B 71 33.896 -17.897 -18.063 1.00 18.56 N +ATOM 2663 CA LYS B 71 35.221 -17.884 -18.648 1.00 20.78 C +ATOM 2664 C LYS B 71 35.629 -19.283 -19.068 1.00 21.44 C +ATOM 2665 O LYS B 71 35.123 -20.303 -18.565 1.00 18.52 O +ATOM 2666 CB LYS B 71 36.279 -17.347 -17.660 1.00 18.05 C +ATOM 2667 CG LYS B 71 36.534 -18.161 -16.404 1.00 17.99 C +ATOM 2668 CD LYS B 71 37.606 -17.485 -15.594 1.00 17.17 C +ATOM 2669 CE LYS B 71 37.730 -18.251 -14.284 1.00 17.68 C +ATOM 2670 NZ LYS B 71 39.058 -18.066 -13.724 1.00 17.10 N +ATOM 2671 H LYS B 71 33.591 -18.713 -17.552 1.00 18.56 H +ATOM 2672 HA LYS B 71 35.208 -17.243 -19.530 1.00 20.78 H +ATOM 2673 HB3 LYS B 71 36.021 -16.326 -17.379 1.00 18.05 H +ATOM 2674 HB2 LYS B 71 37.221 -17.200 -18.189 1.00 18.05 H +ATOM 2675 HG3 LYS B 71 36.865 -19.162 -16.681 1.00 17.99 H +ATOM 2676 HG2 LYS B 71 35.618 -18.219 -15.817 1.00 17.99 H +ATOM 2677 HD3 LYS B 71 37.309 -16.457 -15.386 1.00 17.17 H +ATOM 2678 HD2 LYS B 71 38.552 -17.533 -16.133 1.00 17.17 H +ATOM 2679 HE3 LYS B 71 37.557 -19.312 -14.466 1.00 17.68 H +ATOM 2680 HE2 LYS B 71 36.984 -17.886 -13.578 1.00 17.68 H +ATOM 2681 HZ1 LYS B 71 39.072 -18.403 -12.772 1.00 17.10 H +ATOM 2682 HZ2 LYS B 71 39.730 -18.582 -14.273 1.00 17.10 H +ATOM 2683 HZ3 LYS B 71 39.296 -17.084 -13.737 1.00 17.10 H +ATOM 2684 N ASP B 72 36.553 -19.306 -20.012 1.00 21.22 N +ATOM 2685 CA ASP B 72 37.164 -20.542 -20.440 1.00 22.92 C +ATOM 2686 C ASP B 72 38.635 -20.348 -20.151 1.00 21.67 C +ATOM 2687 O ASP B 72 39.318 -19.643 -20.905 1.00 22.42 O +ATOM 2688 CB ASP B 72 36.930 -20.755 -21.931 1.00 27.53 C +ATOM 2689 CG ASP B 72 37.376 -22.140 -22.422 1.00 30.31 C +ATOM 2690 OD1 ASP B 72 38.402 -22.654 -21.974 1.00 28.74 O +ATOM 2691 OD2 ASP B 72 36.692 -22.703 -23.277 1.00 34.02 O +ATOM 2692 H ASP B 72 36.847 -18.446 -20.452 1.00 21.22 H +ATOM 2693 HA ASP B 72 36.770 -21.382 -19.868 1.00 22.92 H +ATOM 2694 HB3 ASP B 72 37.457 -19.984 -22.494 1.00 27.53 H +ATOM 2695 HB2 ASP B 72 35.873 -20.615 -22.155 1.00 27.53 H +ATOM 2696 N ASN B 73 39.153 -20.988 -19.104 1.00 21.77 N +ATOM 2697 CA ASN B 73 40.535 -20.800 -18.696 1.00 27.21 C +ATOM 2698 C ASN B 73 41.545 -21.255 -19.729 1.00 30.26 C +ATOM 2699 O ASN B 73 42.562 -20.581 -19.886 1.00 28.68 O +ATOM 2700 CB ASN B 73 40.847 -21.539 -17.393 1.00 28.63 C +ATOM 2701 CG ASN B 73 40.248 -20.942 -16.106 1.00 32.19 C +ATOM 2702 OD1 ASN B 73 40.248 -19.743 -15.810 1.00 31.55 O +ATOM 2703 ND2 ASN B 73 39.714 -21.790 -15.246 1.00 30.69 N +ATOM 2704 H ASN B 73 38.581 -21.625 -18.568 1.00 21.77 H +ATOM 2705 HA ASN B 73 40.691 -19.735 -18.522 1.00 27.21 H +ATOM 2706 HB3 ASN B 73 41.928 -21.626 -17.279 1.00 28.63 H +ATOM 2707 HB2 ASN B 73 40.534 -22.579 -17.486 1.00 28.63 H +ATOM 2708 HD22 ASN B 73 39.308 -21.449 -14.386 1.00 30.69 H +ATOM 2709 HD21 ASN B 73 39.712 -22.780 -15.448 1.00 30.69 H +ATOM 2710 N SER B 74 41.309 -22.321 -20.502 1.00 33.82 N +ATOM 2711 CA SER B 74 42.260 -22.778 -21.505 1.00 36.73 C +ATOM 2712 C SER B 74 42.296 -21.868 -22.721 1.00 36.29 C +ATOM 2713 O SER B 74 43.356 -21.634 -23.301 1.00 38.95 O +ATOM 2714 CB SER B 74 41.890 -24.181 -21.937 1.00 39.01 C +ATOM 2715 OG SER B 74 40.499 -24.185 -22.223 1.00 41.62 O +ATOM 2716 H SER B 74 40.447 -22.838 -20.400 1.00 33.82 H +ATOM 2717 HA SER B 74 43.254 -22.802 -21.058 1.00 36.73 H +ATOM 2718 HB3 SER B 74 42.095 -24.877 -21.124 1.00 39.01 H +ATOM 2719 HB2 SER B 74 42.446 -24.442 -22.837 1.00 39.01 H +ATOM 2720 HG SER B 74 40.232 -25.064 -22.501 1.00 41.62 H +ATOM 2721 N LYS B 75 41.154 -21.318 -23.130 1.00 34.87 N +ATOM 2722 CA LYS B 75 41.133 -20.371 -24.239 1.00 32.25 C +ATOM 2723 C LYS B 75 41.598 -18.967 -23.853 1.00 28.70 C +ATOM 2724 O LYS B 75 41.785 -18.147 -24.755 1.00 29.16 O +ATOM 2725 CB LYS B 75 39.727 -20.252 -24.830 1.00 33.91 C +ATOM 2726 CG LYS B 75 39.196 -21.590 -25.338 1.00 41.52 C +ATOM 2727 CD LYS B 75 37.987 -21.548 -26.296 1.00 46.28 C +ATOM 2728 CE LYS B 75 36.783 -20.729 -25.797 1.00 50.61 C +ATOM 2729 NZ LYS B 75 35.515 -21.370 -26.112 1.00 52.05 N +ATOM 2730 H LYS B 75 40.286 -21.555 -22.671 1.00 34.87 H +ATOM 2731 HA LYS B 75 41.797 -20.746 -25.018 1.00 32.25 H +ATOM 2732 HB3 LYS B 75 39.738 -19.532 -25.648 1.00 33.91 H +ATOM 2733 HB2 LYS B 75 39.049 -19.856 -24.074 1.00 33.91 H +ATOM 2734 HG3 LYS B 75 38.957 -22.227 -24.487 1.00 41.52 H +ATOM 2735 HG2 LYS B 75 40.009 -22.142 -25.811 1.00 41.52 H +ATOM 2736 HD3 LYS B 75 37.665 -22.566 -26.514 1.00 46.28 H +ATOM 2737 HD2 LYS B 75 38.308 -21.164 -27.264 1.00 46.28 H +ATOM 2738 HE3 LYS B 75 36.809 -19.736 -26.246 1.00 50.61 H +ATOM 2739 HE2 LYS B 75 36.861 -20.590 -24.719 1.00 50.61 H +ATOM 2740 HZ1 LYS B 75 35.479 -22.279 -25.674 1.00 52.05 H +ATOM 2741 HZ2 LYS B 75 34.755 -20.801 -25.768 1.00 52.05 H +ATOM 2742 HZ3 LYS B 75 35.430 -21.475 -27.113 1.00 52.05 H +ATOM 2743 N SER B 76 41.771 -18.683 -22.546 1.00 25.69 N +ATOM 2744 CA SER B 76 42.103 -17.387 -21.977 1.00 23.15 C +ATOM 2745 C SER B 76 41.089 -16.305 -22.314 1.00 21.94 C +ATOM 2746 O SER B 76 41.408 -15.149 -22.630 1.00 21.70 O +ATOM 2747 CB SER B 76 43.496 -16.954 -22.421 1.00 22.43 C +ATOM 2748 OG SER B 76 44.406 -17.774 -21.703 1.00 28.15 O +ATOM 2749 H SER B 76 41.670 -19.411 -21.853 1.00 25.69 H +ATOM 2750 HA SER B 76 42.121 -17.497 -20.893 1.00 23.15 H +ATOM 2751 HB3 SER B 76 43.655 -15.911 -22.147 1.00 22.43 H +ATOM 2752 HB2 SER B 76 43.609 -17.138 -23.489 1.00 22.43 H +ATOM 2753 HG SER B 76 44.244 -18.696 -21.917 1.00 28.15 H +ATOM 2754 N GLN B 77 39.811 -16.707 -22.237 1.00 19.44 N +ATOM 2755 CA GLN B 77 38.722 -15.807 -22.580 1.00 20.80 C +ATOM 2756 C GLN B 77 37.676 -15.704 -21.488 1.00 19.61 C +ATOM 2757 O GLN B 77 37.405 -16.711 -20.825 1.00 19.67 O +ATOM 2758 CB GLN B 77 38.007 -16.253 -23.829 1.00 20.67 C +ATOM 2759 CG GLN B 77 38.970 -16.138 -24.968 1.00 24.88 C +ATOM 2760 CD GLN B 77 38.442 -16.596 -26.299 1.00 27.21 C +ATOM 2761 OE1 GLN B 77 37.645 -17.657 -26.368 1.00 29.73 O +ATOM 2762 NE2 GLN B 77 38.721 -15.959 -27.320 1.00 23.99 N +ATOM 2763 H GLN B 77 39.594 -17.647 -21.937 1.00 19.44 H +ATOM 2764 HA GLN B 77 39.137 -14.814 -22.755 1.00 20.80 H +ATOM 2765 HB3 GLN B 77 37.152 -15.602 -24.010 1.00 20.67 H +ATOM 2766 HB2 GLN B 77 37.698 -17.292 -23.719 1.00 20.67 H +ATOM 2767 HG3 GLN B 77 39.878 -16.693 -24.730 1.00 24.88 H +ATOM 2768 HG2 GLN B 77 39.309 -15.105 -25.051 1.00 24.88 H +ATOM 2769 HE22 GLN B 77 38.369 -16.263 -28.217 1.00 23.99 H +ATOM 2770 HE21 GLN B 77 39.301 -15.135 -27.258 1.00 23.99 H +ATOM 2771 N VAL B 78 37.080 -14.522 -21.357 1.00 18.98 N +ATOM 2772 CA VAL B 78 36.040 -14.230 -20.381 1.00 18.12 C +ATOM 2773 C VAL B 78 34.902 -13.706 -21.239 1.00 18.13 C +ATOM 2774 O VAL B 78 35.185 -12.957 -22.181 1.00 18.61 O +ATOM 2775 CB VAL B 78 36.471 -13.107 -19.371 1.00 19.20 C +ATOM 2776 CG1 VAL B 78 35.368 -12.822 -18.341 1.00 14.65 C +ATOM 2777 CG2 VAL B 78 37.759 -13.538 -18.675 1.00 15.32 C +ATOM 2778 H VAL B 78 37.343 -13.755 -21.959 1.00 18.98 H +ATOM 2779 HA VAL B 78 35.741 -15.134 -19.851 1.00 18.12 H +ATOM 2780 HB VAL B 78 36.668 -12.193 -19.931 1.00 19.20 H +ATOM 2781 HG11 VAL B 78 35.701 -12.040 -17.658 1.00 14.65 H +ATOM 2782 HG12 VAL B 78 34.465 -12.494 -18.856 1.00 14.65 H +ATOM 2783 HG13 VAL B 78 35.154 -13.729 -17.776 1.00 14.65 H +ATOM 2784 HG21 VAL B 78 38.068 -12.766 -17.971 1.00 15.32 H +ATOM 2785 HG22 VAL B 78 37.588 -14.471 -18.138 1.00 15.32 H +ATOM 2786 HG23 VAL B 78 38.542 -13.686 -19.418 1.00 15.32 H +ATOM 2787 N PHE B 79 33.641 -14.007 -20.911 1.00 18.59 N +ATOM 2788 CA PHE B 79 32.473 -13.619 -21.679 1.00 20.06 C +ATOM 2789 C PHE B 79 31.477 -12.893 -20.803 1.00 20.24 C +ATOM 2790 O PHE B 79 31.224 -13.275 -19.657 1.00 21.60 O +ATOM 2791 CB PHE B 79 31.740 -14.848 -22.290 1.00 21.76 C +ATOM 2792 CG PHE B 79 32.700 -15.831 -22.953 1.00 22.54 C +ATOM 2793 CD1 PHE B 79 33.220 -15.572 -24.211 1.00 23.96 C +ATOM 2794 CD2 PHE B 79 33.132 -16.933 -22.241 1.00 23.63 C +ATOM 2795 CE1 PHE B 79 34.166 -16.423 -24.755 1.00 22.59 C +ATOM 2796 CE2 PHE B 79 34.075 -17.777 -22.792 1.00 24.85 C +ATOM 2797 CZ PHE B 79 34.595 -17.514 -24.034 1.00 23.09 C +ATOM 2798 H PHE B 79 33.450 -14.541 -20.075 1.00 18.59 H +ATOM 2799 HA PHE B 79 32.784 -12.956 -22.486 1.00 20.06 H +ATOM 2800 HB3 PHE B 79 31.008 -14.506 -23.022 1.00 21.76 H +ATOM 2801 HB2 PHE B 79 31.179 -15.361 -21.509 1.00 21.76 H +ATOM 2802 HD1 PHE B 79 32.887 -14.707 -24.765 1.00 23.96 H +ATOM 2803 HD2 PHE B 79 32.732 -17.131 -21.258 1.00 23.63 H +ATOM 2804 HE1 PHE B 79 34.564 -16.229 -25.740 1.00 22.59 H +ATOM 2805 HE2 PHE B 79 34.406 -18.648 -22.245 1.00 24.85 H +ATOM 2806 HZ PHE B 79 35.347 -18.171 -24.445 1.00 23.09 H +ATOM 2807 N LEU B 80 30.910 -11.832 -21.347 1.00 19.56 N +ATOM 2808 CA LEU B 80 29.825 -11.104 -20.708 1.00 20.70 C +ATOM 2809 C LEU B 80 28.657 -11.371 -21.647 1.00 23.21 C +ATOM 2810 O LEU B 80 28.734 -11.171 -22.877 1.00 21.29 O +ATOM 2811 CB LEU B 80 30.075 -9.584 -20.655 1.00 20.90 C +ATOM 2812 CG LEU B 80 28.942 -8.632 -20.207 1.00 22.67 C +ATOM 2813 CD1 LEU B 80 28.633 -8.859 -18.745 1.00 22.32 C +ATOM 2814 CD2 LEU B 80 29.358 -7.184 -20.371 1.00 21.34 C +ATOM 2815 H LEU B 80 31.227 -11.494 -22.244 1.00 19.56 H +ATOM 2816 HA LEU B 80 29.623 -11.500 -19.713 1.00 20.70 H +ATOM 2817 HB3 LEU B 80 30.454 -9.253 -21.622 1.00 20.90 H +ATOM 2818 HB2 LEU B 80 30.960 -9.392 -20.048 1.00 20.90 H +ATOM 2819 HG LEU B 80 28.049 -8.824 -20.802 1.00 22.67 H +ATOM 2820 HD11 LEU B 80 27.834 -8.186 -18.433 1.00 22.32 H +ATOM 2821 HD12 LEU B 80 28.317 -9.891 -18.596 1.00 22.32 H +ATOM 2822 HD13 LEU B 80 29.525 -8.663 -18.150 1.00 22.32 H +ATOM 2823 HD21 LEU B 80 28.545 -6.533 -20.049 1.00 21.34 H +ATOM 2824 HD22 LEU B 80 30.241 -6.988 -19.763 1.00 21.34 H +ATOM 2825 HD23 LEU B 80 29.587 -6.988 -21.418 1.00 21.34 H +ATOM 2826 N LYS B 81 27.576 -11.854 -21.070 1.00 24.98 N +ATOM 2827 CA LYS B 81 26.367 -12.112 -21.826 1.00 28.81 C +ATOM 2828 C LYS B 81 25.338 -11.225 -21.157 1.00 30.02 C +ATOM 2829 O LYS B 81 25.273 -11.117 -19.927 1.00 30.72 O +ATOM 2830 CB LYS B 81 26.001 -13.586 -21.726 1.00 31.70 C +ATOM 2831 CG LYS B 81 27.005 -14.413 -22.528 1.00 38.07 C +ATOM 2832 CD LYS B 81 27.137 -15.885 -22.113 1.00 41.50 C +ATOM 2833 CE LYS B 81 28.478 -16.231 -21.423 1.00 41.32 C +ATOM 2834 NZ LYS B 81 28.711 -15.498 -20.184 1.00 39.41 N +ATOM 2835 H LYS B 81 27.578 -12.053 -20.080 1.00 24.98 H +ATOM 2836 HA LYS B 81 26.500 -11.822 -22.868 1.00 28.81 H +ATOM 2837 HB3 LYS B 81 25.000 -13.740 -22.129 1.00 31.70 H +ATOM 2838 HB2 LYS B 81 26.027 -13.897 -20.681 1.00 31.70 H +ATOM 2839 HG3 LYS B 81 27.984 -13.936 -22.480 1.00 38.07 H +ATOM 2840 HG2 LYS B 81 26.752 -14.359 -23.587 1.00 38.07 H +ATOM 2841 HD3 LYS B 81 27.007 -16.520 -22.989 1.00 41.50 H +ATOM 2842 HD2 LYS B 81 26.312 -16.149 -21.452 1.00 41.50 H +ATOM 2843 HE3 LYS B 81 29.299 -16.043 -22.114 1.00 41.32 H +ATOM 2844 HE2 LYS B 81 28.515 -17.302 -21.222 1.00 41.32 H +ATOM 2845 HZ1 LYS B 81 29.409 -15.979 -19.634 1.00 39.41 H +ATOM 2846 HZ2 LYS B 81 29.036 -14.566 -20.399 1.00 39.41 H +ATOM 2847 HZ3 LYS B 81 27.850 -15.441 -19.659 1.00 39.41 H +ATOM 2848 N MET B 82 24.578 -10.544 -21.977 1.00 32.25 N +ATOM 2849 CA MET B 82 23.597 -9.595 -21.511 1.00 37.97 C +ATOM 2850 C MET B 82 22.338 -9.802 -22.346 1.00 38.66 C +ATOM 2851 O MET B 82 22.415 -10.085 -23.548 1.00 37.22 O +ATOM 2852 CB MET B 82 24.216 -8.226 -21.692 1.00 40.96 C +ATOM 2853 CG MET B 82 23.529 -7.074 -21.018 1.00 45.55 C +ATOM 2854 SD MET B 82 24.734 -5.729 -20.916 1.00 50.25 S +ATOM 2855 CE MET B 82 23.695 -4.726 -19.885 1.00 47.82 C +ATOM 2856 H MET B 82 24.668 -10.674 -22.975 1.00 32.25 H +ATOM 2857 HA MET B 82 23.379 -9.770 -20.457 1.00 37.97 H +ATOM 2858 HB3 MET B 82 24.311 -8.013 -22.757 1.00 40.96 H +ATOM 2859 HB2 MET B 82 25.258 -8.259 -21.373 1.00 40.96 H +ATOM 2860 HG3 MET B 82 23.229 -7.369 -20.012 1.00 45.55 H +ATOM 2861 HG2 MET B 82 22.680 -6.755 -21.622 1.00 45.55 H +ATOM 2862 HE1 MET B 82 24.206 -3.791 -19.653 1.00 47.82 H +ATOM 2863 HE2 MET B 82 22.763 -4.510 -20.408 1.00 47.82 H +ATOM 2864 HE3 MET B 82 23.477 -5.259 -18.960 1.00 47.82 H +ATOM 2865 N ASN B 83 21.149 -9.745 -21.780 1.00 40.23 N +ATOM 2866 CA ASN B 83 19.947 -9.915 -22.588 1.00 44.05 C +ATOM 2867 C ASN B 83 18.950 -8.851 -22.154 1.00 42.86 C +ATOM 2868 O ASN B 83 19.288 -8.021 -21.307 1.00 40.24 O +ATOM 2869 CB ASN B 83 19.403 -11.348 -22.409 1.00 47.58 C +ATOM 2870 CG ASN B 83 19.006 -11.690 -20.985 1.00 50.78 C +ATOM 2871 OD1 ASN B 83 18.022 -11.160 -20.463 1.00 53.73 O +ATOM 2872 ND2 ASN B 83 19.732 -12.562 -20.300 1.00 52.35 N +ATOM 2873 H ASN B 83 21.070 -9.584 -20.786 1.00 40.23 H +ATOM 2874 HA ASN B 83 20.199 -9.759 -23.637 1.00 44.05 H +ATOM 2875 HB3 ASN B 83 20.148 -12.063 -22.758 1.00 47.58 H +ATOM 2876 HB2 ASN B 83 18.547 -11.494 -23.068 1.00 47.58 H +ATOM 2877 HD22 ASN B 83 19.477 -12.797 -19.351 1.00 52.35 H +ATOM 2878 HD21 ASN B 83 20.540 -12.992 -20.727 1.00 52.35 H +ATOM 2879 N SER B 84 17.750 -8.789 -22.750 1.00 42.66 N +ATOM 2880 CA SER B 84 16.730 -7.769 -22.479 1.00 41.61 C +ATOM 2881 C SER B 84 17.300 -6.357 -22.614 1.00 40.19 C +ATOM 2882 O SER B 84 17.160 -5.491 -21.740 1.00 40.97 O +ATOM 2883 CB SER B 84 16.156 -7.947 -21.069 1.00 42.32 C +ATOM 2884 OG SER B 84 15.724 -9.267 -20.771 1.00 44.83 O +ATOM 2885 H SER B 84 17.494 -9.478 -23.442 1.00 42.66 H +ATOM 2886 HA SER B 84 15.921 -7.887 -23.200 1.00 41.61 H +ATOM 2887 HB3 SER B 84 15.326 -7.255 -20.927 1.00 42.32 H +ATOM 2888 HB2 SER B 84 16.899 -7.636 -20.335 1.00 42.32 H +ATOM 2889 HG SER B 84 16.488 -9.841 -20.680 1.00 44.83 H +ATOM 2890 N LEU B 85 17.919 -6.141 -23.770 1.00 40.45 N +ATOM 2891 CA LEU B 85 18.653 -4.928 -24.069 1.00 42.04 C +ATOM 2892 C LEU B 85 17.763 -3.707 -24.235 1.00 44.01 C +ATOM 2893 O LEU B 85 16.660 -3.786 -24.760 1.00 46.67 O +ATOM 2894 CB LEU B 85 19.471 -5.166 -25.321 1.00 40.74 C +ATOM 2895 CG LEU B 85 20.510 -6.272 -25.260 1.00 40.88 C +ATOM 2896 CD1 LEU B 85 21.094 -6.493 -26.640 1.00 39.04 C +ATOM 2897 CD2 LEU B 85 21.595 -5.896 -24.271 1.00 42.44 C +ATOM 2898 H LEU B 85 17.892 -6.843 -24.496 1.00 40.45 H +ATOM 2899 HA LEU B 85 19.341 -4.737 -23.246 1.00 42.04 H +ATOM 2900 HB3 LEU B 85 19.955 -4.235 -25.615 1.00 40.74 H +ATOM 2901 HB2 LEU B 85 18.799 -5.351 -26.159 1.00 40.74 H +ATOM 2902 HG LEU B 85 20.030 -7.192 -24.927 1.00 40.88 H +ATOM 2903 HD11 LEU B 85 21.840 -7.287 -26.597 1.00 39.04 H +ATOM 2904 HD12 LEU B 85 20.300 -6.779 -27.330 1.00 39.04 H +ATOM 2905 HD13 LEU B 85 21.563 -5.573 -26.988 1.00 39.04 H +ATOM 2906 HD21 LEU B 85 22.340 -6.691 -24.228 1.00 42.44 H +ATOM 2907 HD22 LEU B 85 22.072 -4.969 -24.589 1.00 42.44 H +ATOM 2908 HD23 LEU B 85 21.155 -5.758 -23.283 1.00 42.44 H +ATOM 2909 N HIS B 86 18.223 -2.549 -23.777 1.00 44.63 N +ATOM 2910 CA HIS B 86 17.444 -1.318 -23.767 1.00 45.13 C +ATOM 2911 C HIS B 86 18.373 -0.306 -24.431 1.00 41.39 C +ATOM 2912 O HIS B 86 19.586 -0.539 -24.429 1.00 38.37 O +ATOM 2913 CB HIS B 86 17.119 -0.839 -22.309 1.00 51.26 C +ATOM 2914 CG HIS B 86 16.677 -1.889 -21.270 1.00 58.87 C +ATOM 2915 ND1 HIS B 86 17.565 -2.804 -20.758 1.00 62.46 N +ATOM 2916 CD2 HIS B 86 15.499 -2.186 -20.693 1.00 60.48 C +ATOM 2917 CE1 HIS B 86 16.899 -3.582 -19.944 1.00 61.84 C +ATOM 2918 NE2 HIS B 86 15.649 -3.224 -19.890 1.00 61.83 N +ATOM 2919 H HIS B 86 19.162 -2.488 -23.409 1.00 44.63 H +ATOM 2920 HA HIS B 86 16.528 -1.437 -24.346 1.00 45.13 H +ATOM 2921 HB3 HIS B 86 16.373 -0.045 -22.353 1.00 51.26 H +ATOM 2922 HB2 HIS B 86 17.973 -0.287 -21.917 1.00 51.26 H +ATOM 2923 HD1 HIS B 86 18.602 -2.776 -21.057 1.00 62.46 H +ATOM 2924 HD2 HIS B 86 14.679 -1.637 -20.907 1.00 60.48 H +ATOM 2925 HE1 HIS B 86 17.372 -4.334 -19.464 1.00 61.84 H +ATOM 2926 N THR B 87 17.951 0.841 -24.966 1.00 37.58 N +ATOM 2927 CA THR B 87 18.883 1.796 -25.556 1.00 37.74 C +ATOM 2928 C THR B 87 19.847 2.429 -24.567 1.00 33.31 C +ATOM 2929 O THR B 87 20.916 2.894 -24.945 1.00 30.90 O +ATOM 2930 CB THR B 87 18.114 2.905 -26.273 1.00 40.64 C +ATOM 2931 OG1 THR B 87 17.036 3.278 -25.411 1.00 44.70 O +ATOM 2932 CG2 THR B 87 17.648 2.464 -27.662 1.00 42.50 C +ATOM 2933 H THR B 87 16.966 1.065 -24.969 1.00 37.58 H +ATOM 2934 HA THR B 87 19.474 1.265 -26.303 1.00 37.74 H +ATOM 2935 HB THR B 87 18.776 3.764 -26.388 1.00 40.64 H +ATOM 2936 HG1 THR B 87 16.790 4.190 -25.582 1.00 44.70 H +ATOM 2937 HG21 THR B 87 17.105 3.280 -28.140 1.00 42.50 H +ATOM 2938 HG22 THR B 87 18.514 2.200 -28.269 1.00 42.50 H +ATOM 2939 HG23 THR B 87 16.993 1.598 -27.568 1.00 42.50 H +ATOM 2940 N ASP B 88 19.519 2.436 -23.273 1.00 33.88 N +ATOM 2941 CA ASP B 88 20.434 2.943 -22.265 1.00 34.06 C +ATOM 2942 C ASP B 88 21.599 2.016 -21.976 1.00 30.07 C +ATOM 2943 O ASP B 88 22.459 2.351 -21.168 1.00 29.93 O +ATOM 2944 CB ASP B 88 19.667 3.252 -20.980 1.00 36.70 C +ATOM 2945 CG ASP B 88 18.705 4.418 -21.193 1.00 42.30 C +ATOM 2946 OD1 ASP B 88 19.073 5.462 -21.752 1.00 43.35 O +ATOM 2947 OD2 ASP B 88 17.553 4.254 -20.819 1.00 45.96 O +ATOM 2948 H ASP B 88 18.619 2.084 -22.978 1.00 33.88 H +ATOM 2949 HA ASP B 88 20.845 3.882 -22.636 1.00 34.06 H +ATOM 2950 HB3 ASP B 88 20.372 3.503 -20.188 1.00 36.70 H +ATOM 2951 HB2 ASP B 88 19.106 2.370 -20.671 1.00 36.70 H +ATOM 2952 N ASP B 89 21.635 0.862 -22.647 1.00 27.06 N +ATOM 2953 CA ASP B 89 22.790 -0.034 -22.632 1.00 28.97 C +ATOM 2954 C ASP B 89 23.842 0.381 -23.675 1.00 25.90 C +ATOM 2955 O ASP B 89 24.880 -0.268 -23.795 1.00 25.58 O +ATOM 2956 CB ASP B 89 22.350 -1.496 -22.912 1.00 28.29 C +ATOM 2957 CG ASP B 89 21.489 -2.140 -21.831 1.00 28.53 C +ATOM 2958 OD1 ASP B 89 21.618 -1.788 -20.666 1.00 28.81 O +ATOM 2959 OD2 ASP B 89 20.695 -3.017 -22.146 1.00 26.95 O +ATOM 2960 H ASP B 89 20.839 0.573 -23.198 1.00 27.06 H +ATOM 2961 HA ASP B 89 23.247 0.007 -21.643 1.00 28.97 H +ATOM 2962 HB3 ASP B 89 23.233 -2.111 -23.083 1.00 28.29 H +ATOM 2963 HB2 ASP B 89 21.822 -1.537 -23.865 1.00 28.29 H +ATOM 2964 N THR B 90 23.601 1.442 -24.463 1.00 22.88 N +ATOM 2965 CA THR B 90 24.568 1.932 -25.444 1.00 23.95 C +ATOM 2966 C THR B 90 25.749 2.484 -24.661 1.00 21.35 C +ATOM 2967 O THR B 90 25.557 3.389 -23.846 1.00 21.53 O +ATOM 2968 CB THR B 90 23.921 3.047 -26.331 1.00 25.74 C +ATOM 2969 OG1 THR B 90 22.864 2.377 -27.026 1.00 26.97 O +ATOM 2970 CG2 THR B 90 24.879 3.757 -27.288 1.00 23.62 C +ATOM 2971 H THR B 90 22.723 1.935 -24.391 1.00 22.88 H +ATOM 2972 HA THR B 90 24.900 1.108 -26.075 1.00 23.95 H +ATOM 2973 HB THR B 90 23.478 3.794 -25.673 1.00 25.74 H +ATOM 2974 HG1 THR B 90 22.061 2.416 -26.502 1.00 26.97 H +ATOM 2975 HG21 THR B 90 24.334 4.510 -27.856 1.00 23.62 H +ATOM 2976 HG22 THR B 90 25.673 4.238 -26.717 1.00 23.62 H +ATOM 2977 HG23 THR B 90 25.314 3.030 -27.974 1.00 23.62 H +ATOM 2978 N ALA B 91 26.953 1.959 -24.875 1.00 21.72 N +ATOM 2979 CA ALA B 91 28.104 2.354 -24.089 1.00 22.19 C +ATOM 2980 C ALA B 91 29.372 1.756 -24.678 1.00 19.48 C +ATOM 2981 O ALA B 91 29.361 0.999 -25.645 1.00 19.01 O +ATOM 2982 CB ALA B 91 27.947 1.832 -22.652 1.00 17.84 C +ATOM 2983 H ALA B 91 27.081 1.267 -25.600 1.00 21.72 H +ATOM 2984 HA ALA B 91 28.183 3.441 -24.077 1.00 22.19 H +ATOM 2985 HB1 ALA B 91 28.813 2.129 -22.060 1.00 17.84 H +ATOM 2986 HB2 ALA B 91 27.044 2.252 -22.209 1.00 17.84 H +ATOM 2987 HB3 ALA B 91 27.873 0.745 -22.666 1.00 17.84 H +ATOM 2988 N ARG B 92 30.492 2.155 -24.114 1.00 20.12 N +ATOM 2989 CA ARG B 92 31.753 1.497 -24.365 1.00 18.84 C +ATOM 2990 C ARG B 92 31.905 0.484 -23.236 1.00 16.51 C +ATOM 2991 O ARG B 92 31.730 0.859 -22.080 1.00 16.79 O +ATOM 2992 CB ARG B 92 32.859 2.504 -24.310 1.00 19.79 C +ATOM 2993 CG ARG B 92 34.146 1.860 -24.752 1.00 24.39 C +ATOM 2994 CD ARG B 92 35.141 2.945 -25.026 1.00 29.03 C +ATOM 2995 NE ARG B 92 36.167 2.312 -25.819 1.00 36.81 N +ATOM 2996 CZ ARG B 92 36.198 2.397 -27.151 1.00 38.65 C +ATOM 2997 NH1 ARG B 92 35.325 3.148 -27.827 1.00 40.45 N +ATOM 2998 NH2 ARG B 92 37.151 1.735 -27.804 1.00 39.51 N +ATOM 2999 H ARG B 92 30.487 2.944 -23.484 1.00 20.12 H +ATOM 3000 HA ARG B 92 31.738 0.995 -25.332 1.00 18.84 H +ATOM 3001 HB3 ARG B 92 32.968 2.869 -23.289 1.00 19.79 H +ATOM 3002 HB2 ARG B 92 32.624 3.338 -24.972 1.00 19.79 H +ATOM 3003 HG3 ARG B 92 33.972 1.289 -25.664 1.00 24.39 H +ATOM 3004 HG2 ARG B 92 34.521 1.216 -23.957 1.00 24.39 H +ATOM 3005 HD3 ARG B 92 35.571 3.287 -24.085 1.00 29.03 H +ATOM 3006 HD2 ARG B 92 34.666 3.732 -25.612 1.00 29.03 H +ATOM 3007 HE ARG B 92 36.880 1.790 -25.330 1.00 36.81 H +ATOM 3008 HH12 ARG B 92 35.372 3.193 -28.835 1.00 40.45 H +ATOM 3009 HH11 ARG B 92 34.618 3.671 -27.330 1.00 40.45 H +ATOM 3010 HH22 ARG B 92 37.198 1.781 -28.812 1.00 39.51 H +ATOM 3011 HH21 ARG B 92 37.827 1.186 -27.292 1.00 39.51 H +ATOM 3012 N TYR B 93 32.220 -0.772 -23.534 1.00 16.86 N +ATOM 3013 CA TYR B 93 32.302 -1.842 -22.550 1.00 18.22 C +ATOM 3014 C TYR B 93 33.775 -2.198 -22.412 1.00 19.03 C +ATOM 3015 O TYR B 93 34.430 -2.301 -23.464 1.00 20.09 O +ATOM 3016 CB TYR B 93 31.494 -3.103 -23.010 1.00 17.04 C +ATOM 3017 CG TYR B 93 30.000 -2.919 -22.825 1.00 18.30 C +ATOM 3018 CD1 TYR B 93 29.281 -2.100 -23.691 1.00 17.07 C +ATOM 3019 CD2 TYR B 93 29.373 -3.520 -21.747 1.00 19.14 C +ATOM 3020 CE1 TYR B 93 27.935 -1.861 -23.461 1.00 19.34 C +ATOM 3021 CE2 TYR B 93 28.023 -3.283 -21.524 1.00 18.71 C +ATOM 3022 CZ TYR B 93 27.314 -2.459 -22.374 1.00 19.85 C +ATOM 3023 OH TYR B 93 25.984 -2.211 -22.104 1.00 21.23 O +ATOM 3024 H TYR B 93 32.419 -1.029 -24.490 1.00 16.86 H +ATOM 3025 HA TYR B 93 31.918 -1.490 -21.592 1.00 18.22 H +ATOM 3026 HB3 TYR B 93 31.825 -3.973 -22.443 1.00 17.04 H +ATOM 3027 HB2 TYR B 93 31.707 -3.307 -24.059 1.00 17.04 H +ATOM 3028 HD1 TYR B 93 29.772 -1.651 -24.542 1.00 17.07 H +ATOM 3029 HD2 TYR B 93 29.933 -4.167 -21.088 1.00 19.14 H +ATOM 3030 HE1 TYR B 93 27.380 -1.215 -24.125 1.00 19.34 H +ATOM 3031 HE2 TYR B 93 27.525 -3.744 -20.684 1.00 18.71 H +ATOM 3032 HH TYR B 93 25.654 -1.541 -22.707 1.00 21.23 H +ATOM 3033 N TYR B 94 34.249 -2.443 -21.186 1.00 15.68 N +ATOM 3034 CA TYR B 94 35.646 -2.680 -20.868 1.00 14.12 C +ATOM 3035 C TYR B 94 35.761 -3.886 -19.995 1.00 13.90 C +ATOM 3036 O TYR B 94 34.903 -4.067 -19.123 1.00 15.28 O +ATOM 3037 CB TYR B 94 36.307 -1.623 -20.028 1.00 14.26 C +ATOM 3038 CG TYR B 94 36.460 -0.221 -20.601 1.00 16.04 C +ATOM 3039 CD1 TYR B 94 37.569 0.065 -21.386 1.00 16.50 C +ATOM 3040 CD2 TYR B 94 35.511 0.752 -20.309 1.00 17.71 C +ATOM 3041 CE1 TYR B 94 37.741 1.337 -21.890 1.00 17.17 C +ATOM 3042 CE2 TYR B 94 35.677 2.035 -20.816 1.00 19.45 C +ATOM 3043 CZ TYR B 94 36.797 2.299 -21.593 1.00 20.55 C +ATOM 3044 OH TYR B 94 37.004 3.566 -22.055 1.00 23.96 O +ATOM 3045 H TYR B 94 33.619 -2.473 -20.398 1.00 15.68 H +ATOM 3046 HA TYR B 94 36.214 -2.832 -21.786 1.00 14.12 H +ATOM 3047 HB3 TYR B 94 37.283 -1.984 -19.705 1.00 14.26 H +ATOM 3048 HB2 TYR B 94 35.796 -1.561 -19.067 1.00 14.26 H +ATOM 3049 HD1 TYR B 94 38.293 -0.707 -21.600 1.00 16.50 H +ATOM 3050 HD2 TYR B 94 34.657 0.507 -19.695 1.00 17.71 H +ATOM 3051 HE1 TYR B 94 38.601 1.563 -22.503 1.00 17.17 H +ATOM 3052 HE2 TYR B 94 34.944 2.799 -20.603 1.00 19.45 H +ATOM 3053 HH TYR B 94 36.278 4.130 -21.779 1.00 23.96 H +ATOM 3054 N CYS B 95 36.761 -4.748 -20.234 1.00 14.20 N +ATOM 3055 CA CYS B 95 37.149 -5.720 -19.250 1.00 13.05 C +ATOM 3056 C CYS B 95 38.438 -5.178 -18.638 1.00 14.09 C +ATOM 3057 O CYS B 95 39.215 -4.447 -19.310 1.00 16.12 O +ATOM 3058 CB CYS B 95 37.343 -7.080 -19.888 1.00 15.85 C +ATOM 3059 SG CYS B 95 38.492 -7.300 -21.257 1.00 16.65 S +ATOM 3060 H CYS B 95 37.253 -4.719 -21.116 1.00 14.20 H +ATOM 3061 HA CYS B 95 36.380 -5.785 -18.480 1.00 13.05 H +ATOM 3062 HB3 CYS B 95 36.370 -7.476 -20.178 1.00 15.85 H +ATOM 3063 HB2 CYS B 95 37.580 -7.804 -19.109 1.00 15.85 H +ATOM 3064 N ALA B 96 38.670 -5.454 -17.359 1.00 13.40 N +ATOM 3065 CA ALA B 96 39.853 -4.999 -16.655 1.00 12.33 C +ATOM 3066 C ALA B 96 40.282 -6.103 -15.699 1.00 13.70 C +ATOM 3067 O ALA B 96 39.436 -6.805 -15.115 1.00 14.36 O +ATOM 3068 CB ALA B 96 39.570 -3.768 -15.826 1.00 10.00 C +ATOM 3069 H ALA B 96 38.006 -6.004 -16.833 1.00 13.40 H +ATOM 3070 HA ALA B 96 40.652 -4.792 -17.367 1.00 12.33 H +ATOM 3071 HB1 ALA B 96 40.480 -3.457 -15.314 1.00 10.00 H +ATOM 3072 HB2 ALA B 96 39.226 -2.963 -16.476 1.00 10.00 H +ATOM 3073 HB3 ALA B 96 38.799 -3.994 -15.090 1.00 10.00 H +ATOM 3074 N ARG B 97 41.589 -6.349 -15.588 1.00 12.97 N +ATOM 3075 CA ARG B 97 42.117 -7.298 -14.633 1.00 12.03 C +ATOM 3076 C ARG B 97 42.064 -6.729 -13.201 1.00 14.46 C +ATOM 3077 O ARG B 97 42.436 -5.571 -12.918 1.00 16.30 O +ATOM 3078 CB ARG B 97 43.572 -7.634 -14.990 1.00 11.35 C +ATOM 3079 CG ARG B 97 44.068 -8.837 -14.175 1.00 12.20 C +ATOM 3080 CD ARG B 97 45.504 -9.186 -14.434 1.00 10.15 C +ATOM 3081 NE ARG B 97 46.470 -8.305 -13.813 1.00 14.90 N +ATOM 3082 CZ ARG B 97 47.753 -8.644 -13.702 1.00 13.92 C +ATOM 3083 NH1 ARG B 97 48.190 -9.842 -14.086 1.00 14.34 N +ATOM 3084 NH2 ARG B 97 48.608 -7.820 -13.102 1.00 16.95 N +ATOM 3085 H ARG B 97 42.246 -5.865 -16.183 1.00 12.97 H +ATOM 3086 HA ARG B 97 41.522 -8.210 -14.674 1.00 12.03 H +ATOM 3087 HB3 ARG B 97 44.205 -6.771 -14.784 1.00 11.35 H +ATOM 3088 HB2 ARG B 97 43.641 -7.863 -16.053 1.00 11.35 H +ATOM 3089 HG3 ARG B 97 43.441 -9.702 -14.390 1.00 12.20 H +ATOM 3090 HG2 ARG B 97 43.931 -8.636 -13.113 1.00 12.20 H +ATOM 3091 HD3 ARG B 97 45.680 -9.213 -15.509 1.00 10.15 H +ATOM 3092 HD2 ARG B 97 45.690 -10.210 -14.111 1.00 10.15 H +ATOM 3093 HE ARG B 97 46.151 -7.414 -13.459 1.00 14.90 H +ATOM 3094 HH12 ARG B 97 49.168 -10.077 -13.992 1.00 14.34 H +ATOM 3095 HH11 ARG B 97 47.544 -10.516 -14.471 1.00 14.34 H +ATOM 3096 HH22 ARG B 97 49.581 -8.076 -13.017 1.00 16.95 H +ATOM 3097 HH21 ARG B 97 48.284 -6.938 -12.731 1.00 16.95 H +ATOM 3098 N GLU B 98 41.586 -7.562 -12.280 1.00 12.47 N +ATOM 3099 CA GLU B 98 41.648 -7.217 -10.886 1.00 12.99 C +ATOM 3100 C GLU B 98 42.817 -7.978 -10.288 1.00 11.55 C +ATOM 3101 O GLU B 98 42.907 -9.213 -10.402 1.00 14.10 O +ATOM 3102 CB GLU B 98 40.400 -7.618 -10.144 1.00 14.25 C +ATOM 3103 CG GLU B 98 40.452 -7.154 -8.673 1.00 15.05 C +ATOM 3104 CD GLU B 98 39.092 -7.121 -7.975 1.00 17.20 C +ATOM 3105 OE1 GLU B 98 38.092 -6.939 -8.658 1.00 15.93 O +ATOM 3106 OE2 GLU B 98 39.050 -7.260 -6.756 1.00 15.39 O +ATOM 3107 H GLU B 98 41.177 -8.442 -12.559 1.00 12.47 H +ATOM 3108 HA GLU B 98 41.812 -6.145 -10.779 1.00 12.99 H +ATOM 3109 HB3 GLU B 98 40.290 -8.702 -10.179 1.00 14.25 H +ATOM 3110 HB2 GLU B 98 39.530 -7.178 -10.633 1.00 14.25 H +ATOM 3111 HG3 GLU B 98 40.908 -6.165 -8.622 1.00 15.05 H +ATOM 3112 HG2 GLU B 98 41.129 -7.800 -8.114 1.00 15.05 H +ATOM 3113 N ARG B 99 43.681 -7.248 -9.612 1.00 10.98 N +ATOM 3114 CA ARG B 99 44.751 -7.824 -8.850 1.00 11.85 C +ATOM 3115 C ARG B 99 44.632 -7.287 -7.430 1.00 10.49 C +ATOM 3116 O ARG B 99 44.845 -6.103 -7.200 1.00 11.09 O +ATOM 3117 CB ARG B 99 46.067 -7.416 -9.442 1.00 15.40 C +ATOM 3118 CG ARG B 99 47.138 -8.143 -8.709 1.00 20.02 C +ATOM 3119 CD ARG B 99 48.379 -7.350 -8.849 1.00 22.84 C +ATOM 3120 NE ARG B 99 49.340 -8.022 -8.030 1.00 30.25 N +ATOM 3121 CZ ARG B 99 50.559 -7.546 -7.851 1.00 35.06 C +ATOM 3122 NH1 ARG B 99 51.024 -6.483 -8.527 1.00 37.67 N +ATOM 3123 NH2 ARG B 99 51.336 -8.225 -7.018 1.00 37.39 N +ATOM 3124 H ARG B 99 43.605 -6.241 -9.617 1.00 10.98 H +ATOM 3125 HA ARG B 99 44.664 -8.911 -8.847 1.00 11.85 H +ATOM 3126 HB3 ARG B 99 46.205 -6.342 -9.315 1.00 15.40 H +ATOM 3127 HB2 ARG B 99 46.094 -7.696 -10.495 1.00 15.40 H +ATOM 3128 HG3 ARG B 99 47.283 -9.125 -9.159 1.00 20.02 H +ATOM 3129 HG2 ARG B 99 46.871 -8.215 -7.655 1.00 20.02 H +ATOM 3130 HD3 ARG B 99 48.212 -6.346 -8.460 1.00 22.84 H +ATOM 3131 HD2 ARG B 99 48.709 -7.375 -9.888 1.00 22.84 H +ATOM 3132 HE ARG B 99 49.064 -8.884 -7.582 1.00 30.25 H +ATOM 3133 HH12 ARG B 99 51.963 -6.150 -8.361 1.00 37.67 H +ATOM 3134 HH11 ARG B 99 50.435 -6.016 -9.202 1.00 37.67 H +ATOM 3135 HH22 ARG B 99 52.279 -7.912 -6.839 1.00 37.39 H +ATOM 3136 HH21 ARG B 99 50.984 -9.055 -6.563 1.00 37.39 H +ATOM 3137 N ASP B 100 44.224 -8.106 -6.464 1.00 8.92 N +ATOM 3138 CA ASP B 100 44.160 -7.700 -5.079 1.00 10.96 C +ATOM 3139 C ASP B 100 43.546 -6.307 -4.775 1.00 10.10 C +ATOM 3140 O ASP B 100 44.097 -5.418 -4.135 1.00 10.77 O +ATOM 3141 CB ASP B 100 45.581 -7.797 -4.494 1.00 9.55 C +ATOM 3142 CG ASP B 100 45.614 -7.785 -2.979 1.00 12.58 C +ATOM 3143 OD1 ASP B 100 44.706 -8.363 -2.378 1.00 12.97 O +ATOM 3144 OD2 ASP B 100 46.531 -7.213 -2.416 1.00 14.49 O +ATOM 3145 H ASP B 100 43.945 -9.051 -6.687 1.00 8.92 H +ATOM 3146 HA ASP B 100 43.550 -8.438 -4.558 1.00 10.96 H +ATOM 3147 HB3 ASP B 100 46.186 -6.975 -4.876 1.00 9.55 H +ATOM 3148 HB2 ASP B 100 46.061 -8.705 -4.859 1.00 9.55 H +ATOM 3149 N TYR B 101 42.289 -6.227 -5.245 1.00 9.35 N +ATOM 3150 CA TYR B 101 41.403 -5.080 -5.045 1.00 10.99 C +ATOM 3151 C TYR B 101 41.802 -3.751 -5.704 1.00 13.35 C +ATOM 3152 O TYR B 101 41.624 -2.657 -5.149 1.00 11.81 O +ATOM 3153 CB TYR B 101 41.157 -4.919 -3.480 1.00 12.47 C +ATOM 3154 CG TYR B 101 40.623 -6.223 -2.907 1.00 11.97 C +ATOM 3155 CD1 TYR B 101 39.279 -6.545 -3.045 1.00 12.15 C +ATOM 3156 CD2 TYR B 101 41.500 -7.152 -2.370 1.00 11.69 C +ATOM 3157 CE1 TYR B 101 38.829 -7.807 -2.642 1.00 12.70 C +ATOM 3158 CE2 TYR B 101 41.078 -8.405 -1.977 1.00 10.72 C +ATOM 3159 CZ TYR B 101 39.734 -8.711 -2.132 1.00 14.73 C +ATOM 3160 OH TYR B 101 39.288 -9.962 -1.788 1.00 15.75 O +ATOM 3161 H TYR B 101 41.899 -6.992 -5.776 1.00 9.35 H +ATOM 3162 HA TYR B 101 40.442 -5.358 -5.478 1.00 10.99 H +ATOM 3163 HB3 TYR B 101 40.433 -4.123 -3.306 1.00 12.47 H +ATOM 3164 HB2 TYR B 101 42.096 -4.664 -2.989 1.00 12.47 H +ATOM 3165 HD1 TYR B 101 38.591 -5.824 -3.461 1.00 12.15 H +ATOM 3166 HD2 TYR B 101 42.544 -6.903 -2.250 1.00 11.69 H +ATOM 3167 HE1 TYR B 101 37.783 -8.062 -2.733 1.00 12.70 H +ATOM 3168 HE2 TYR B 101 41.786 -9.109 -1.565 1.00 10.72 H +ATOM 3169 HH TYR B 101 38.344 -10.022 -1.951 1.00 15.75 H +ATOM 3170 N ARG B 102 42.342 -3.854 -6.923 1.00 11.06 N +ATOM 3171 CA ARG B 102 42.533 -2.714 -7.815 1.00 14.20 C +ATOM 3172 C ARG B 102 42.523 -3.258 -9.243 1.00 13.07 C +ATOM 3173 O ARG B 102 42.897 -4.403 -9.502 1.00 15.89 O +ATOM 3174 CB ARG B 102 43.864 -1.953 -7.572 1.00 11.86 C +ATOM 3175 CG ARG B 102 45.206 -2.684 -7.664 1.00 12.63 C +ATOM 3176 CD ARG B 102 45.592 -3.273 -6.327 1.00 15.12 C +ATOM 3177 NE ARG B 102 46.975 -3.706 -6.406 1.00 15.40 N +ATOM 3178 CZ ARG B 102 47.614 -4.327 -5.430 1.00 18.53 C +ATOM 3179 NH1 ARG B 102 46.991 -4.657 -4.290 1.00 19.28 N +ATOM 3180 NH2 ARG B 102 48.901 -4.633 -5.628 1.00 18.42 N +ATOM 3181 H ARG B 102 42.641 -4.755 -7.268 1.00 11.06 H +ATOM 3182 HA ARG B 102 41.700 -2.022 -7.692 1.00 14.20 H +ATOM 3183 HB3 ARG B 102 43.807 -1.439 -6.612 1.00 11.86 H +ATOM 3184 HB2 ARG B 102 43.894 -1.078 -8.221 1.00 11.86 H +ATOM 3185 HG3 ARG B 102 45.978 -1.986 -7.990 1.00 12.63 H +ATOM 3186 HG2 ARG B 102 45.135 -3.481 -8.405 1.00 12.63 H +ATOM 3187 HD3 ARG B 102 44.955 -4.131 -6.111 1.00 15.12 H +ATOM 3188 HD2 ARG B 102 45.494 -2.512 -5.553 1.00 15.12 H +ATOM 3189 HE ARG B 102 47.451 -3.506 -7.274 1.00 15.40 H +ATOM 3190 HH12 ARG B 102 47.498 -5.131 -3.557 1.00 19.28 H +ATOM 3191 HH11 ARG B 102 46.015 -4.431 -4.164 1.00 19.28 H +ATOM 3192 HH22 ARG B 102 49.424 -5.108 -4.906 1.00 18.42 H +ATOM 3193 HH21 ARG B 102 49.350 -4.389 -6.499 1.00 18.42 H +ATOM 3194 N LEU B 103 42.057 -2.449 -10.194 1.00 14.39 N +ATOM 3195 CA LEU B 103 41.969 -2.842 -11.594 1.00 12.07 C +ATOM 3196 C LEU B 103 43.193 -2.218 -12.251 1.00 11.41 C +ATOM 3197 O LEU B 103 43.254 -1.025 -12.571 1.00 12.76 O +ATOM 3198 CB LEU B 103 40.650 -2.320 -12.190 1.00 11.74 C +ATOM 3199 CG LEU B 103 39.338 -2.733 -11.475 1.00 14.47 C +ATOM 3200 CD1 LEU B 103 38.179 -2.301 -12.345 1.00 15.31 C +ATOM 3201 CD2 LEU B 103 39.262 -4.226 -11.233 1.00 11.26 C +ATOM 3202 H LEU B 103 41.745 -1.518 -9.957 1.00 14.39 H +ATOM 3203 HA LEU B 103 42.013 -3.928 -11.680 1.00 12.07 H +ATOM 3204 HB3 LEU B 103 40.592 -2.609 -13.240 1.00 11.74 H +ATOM 3205 HB2 LEU B 103 40.693 -1.233 -12.259 1.00 11.74 H +ATOM 3206 HG LEU B 103 39.277 -2.214 -10.518 1.00 14.47 H +ATOM 3207 HD11 LEU B 103 37.241 -2.579 -11.866 1.00 15.31 H +ATOM 3208 HD12 LEU B 103 38.210 -1.220 -12.482 1.00 15.31 H +ATOM 3209 HD13 LEU B 103 38.250 -2.792 -13.316 1.00 15.31 H +ATOM 3210 HD21 LEU B 103 38.325 -4.466 -10.730 1.00 11.26 H +ATOM 3211 HD22 LEU B 103 39.307 -4.752 -12.187 1.00 11.26 H +ATOM 3212 HD23 LEU B 103 40.099 -4.536 -10.608 1.00 11.26 H +ATOM 3213 N ASP B 104 44.188 -3.085 -12.387 1.00 12.63 N +ATOM 3214 CA ASP B 104 45.471 -2.589 -12.824 1.00 14.17 C +ATOM 3215 C ASP B 104 45.671 -2.579 -14.327 1.00 15.27 C +ATOM 3216 O ASP B 104 46.493 -1.810 -14.800 1.00 17.63 O +ATOM 3217 CB ASP B 104 46.561 -3.401 -12.163 1.00 14.29 C +ATOM 3218 CG ASP B 104 46.590 -4.921 -12.341 1.00 13.69 C +ATOM 3219 OD1 ASP B 104 45.727 -5.535 -12.969 1.00 14.21 O +ATOM 3220 OD2 ASP B 104 47.524 -5.502 -11.822 1.00 16.01 O +ATOM 3221 H ASP B 104 44.036 -4.063 -12.186 1.00 12.63 H +ATOM 3222 HA ASP B 104 45.565 -1.562 -12.472 1.00 14.17 H +ATOM 3223 HB3 ASP B 104 46.580 -3.168 -11.098 1.00 14.29 H +ATOM 3224 HB2 ASP B 104 47.530 -2.992 -12.449 1.00 14.29 H +ATOM 3225 N TYR B 105 44.976 -3.359 -15.126 1.00 13.57 N +ATOM 3226 CA TYR B 105 45.170 -3.377 -16.560 1.00 15.91 C +ATOM 3227 C TYR B 105 43.785 -3.405 -17.149 1.00 15.99 C +ATOM 3228 O TYR B 105 42.941 -4.190 -16.704 1.00 16.72 O +ATOM 3229 CB TYR B 105 45.933 -4.623 -17.040 1.00 17.32 C +ATOM 3230 CG TYR B 105 47.403 -4.504 -16.739 1.00 21.00 C +ATOM 3231 CD1 TYR B 105 48.232 -3.738 -17.536 1.00 21.58 C +ATOM 3232 CD2 TYR B 105 47.899 -5.171 -15.633 1.00 22.58 C +ATOM 3233 CE1 TYR B 105 49.571 -3.637 -17.207 1.00 25.94 C +ATOM 3234 CE2 TYR B 105 49.231 -5.076 -15.295 1.00 25.81 C +ATOM 3235 CZ TYR B 105 50.061 -4.309 -16.090 1.00 29.33 C +ATOM 3236 OH TYR B 105 51.404 -4.234 -15.739 1.00 31.75 O +ATOM 3237 H TYR B 105 44.275 -3.977 -14.744 1.00 13.57 H +ATOM 3238 HA TYR B 105 45.692 -2.474 -16.877 1.00 15.91 H +ATOM 3239 HB3 TYR B 105 45.791 -4.744 -18.114 1.00 17.32 H +ATOM 3240 HB2 TYR B 105 45.532 -5.507 -16.545 1.00 17.32 H +ATOM 3241 HD1 TYR B 105 47.831 -3.230 -18.401 1.00 21.58 H +ATOM 3242 HD2 TYR B 105 47.240 -5.773 -15.025 1.00 22.58 H +ATOM 3243 HE1 TYR B 105 50.233 -3.039 -17.815 1.00 25.94 H +ATOM 3244 HE2 TYR B 105 49.606 -5.595 -14.425 1.00 25.81 H +ATOM 3245 HH TYR B 105 51.869 -3.677 -16.368 1.00 31.75 H +ATOM 3246 N TRP B 106 43.561 -2.582 -18.163 1.00 15.76 N +ATOM 3247 CA TRP B 106 42.285 -2.382 -18.799 1.00 13.64 C +ATOM 3248 C TRP B 106 42.423 -2.617 -20.283 1.00 14.52 C +ATOM 3249 O TRP B 106 43.464 -2.344 -20.901 1.00 15.79 O +ATOM 3250 CB TRP B 106 41.785 -0.947 -18.600 1.00 14.35 C +ATOM 3251 CG TRP B 106 41.375 -0.536 -17.195 1.00 14.89 C +ATOM 3252 CD1 TRP B 106 42.270 -0.422 -16.158 1.00 14.87 C +ATOM 3253 CD2 TRP B 106 40.096 -0.189 -16.823 1.00 16.49 C +ATOM 3254 NE1 TRP B 106 41.567 -0.006 -15.138 1.00 15.77 N +ATOM 3255 CE2 TRP B 106 40.274 0.150 -15.483 1.00 16.35 C +ATOM 3256 CE3 TRP B 106 38.841 -0.112 -17.402 1.00 15.73 C +ATOM 3257 CZ2 TRP B 106 39.199 0.565 -14.708 1.00 17.44 C +ATOM 3258 CZ3 TRP B 106 37.774 0.306 -16.627 1.00 18.35 C +ATOM 3259 CH2 TRP B 106 37.951 0.639 -15.295 1.00 15.08 C +ATOM 3260 H TRP B 106 44.319 -2.036 -18.547 1.00 15.76 H +ATOM 3261 HA TRP B 106 41.558 -3.081 -18.386 1.00 13.64 H +ATOM 3262 HB3 TRP B 106 40.957 -0.758 -19.284 1.00 14.35 H +ATOM 3263 HB2 TRP B 106 42.537 -0.251 -18.971 1.00 14.35 H +ATOM 3264 HD1 TRP B 106 43.311 -0.665 -16.314 1.00 14.87 H +ATOM 3265 HE1 TRP B 106 42.015 0.152 -14.247 1.00 15.77 H +ATOM 3266 HE3 TRP B 106 38.708 -0.376 -18.441 1.00 15.73 H +ATOM 3267 HZ2 TRP B 106 39.349 0.822 -13.670 1.00 17.44 H +ATOM 3268 HZ3 TRP B 106 36.787 0.376 -17.060 1.00 18.35 H +ATOM 3269 HH2 TRP B 106 37.099 0.960 -14.714 1.00 15.08 H +ATOM 3270 N GLY B 107 41.368 -3.132 -20.882 1.00 14.74 N +ATOM 3271 CA GLY B 107 41.345 -3.259 -22.322 1.00 17.39 C +ATOM 3272 C GLY B 107 41.007 -1.899 -22.940 1.00 19.56 C +ATOM 3273 O GLY B 107 40.738 -0.927 -22.216 1.00 15.81 O +ATOM 3274 H GLY B 107 40.576 -3.438 -20.335 1.00 14.74 H +ATOM 3275 HA3 GLY B 107 40.587 -3.987 -22.610 1.00 17.39 H +ATOM 3276 HA2 GLY B 107 42.324 -3.584 -22.673 1.00 17.39 H +ATOM 3277 N GLN B 108 40.965 -1.810 -24.278 1.00 20.72 N +ATOM 3278 CA GLN B 108 40.604 -0.570 -24.965 1.00 23.22 C +ATOM 3279 C GLN B 108 39.116 -0.269 -25.001 1.00 19.40 C +ATOM 3280 O GLN B 108 38.715 0.883 -25.134 1.00 21.41 O +ATOM 3281 CB GLN B 108 41.147 -0.606 -26.386 1.00 30.06 C +ATOM 3282 CG GLN B 108 42.581 -0.117 -26.343 1.00 42.64 C +ATOM 3283 CD GLN B 108 43.180 0.265 -27.696 1.00 51.02 C +ATOM 3284 OE1 GLN B 108 42.492 0.548 -28.688 1.00 54.44 O +ATOM 3285 NE2 GLN B 108 44.503 0.302 -27.758 1.00 53.76 N +ATOM 3286 H GLN B 108 41.187 -2.616 -24.845 1.00 20.72 H +ATOM 3287 HA GLN B 108 41.095 0.252 -24.444 1.00 23.22 H +ATOM 3288 HB3 GLN B 108 40.556 0.058 -27.017 1.00 30.06 H +ATOM 3289 HB2 GLN B 108 41.124 -1.631 -26.757 1.00 30.06 H +ATOM 3290 HG3 GLN B 108 43.207 -0.876 -25.873 1.00 42.64 H +ATOM 3291 HG2 GLN B 108 42.652 0.733 -25.665 1.00 42.64 H +ATOM 3292 HE22 GLN B 108 44.961 0.548 -28.624 1.00 53.76 H +ATOM 3293 HE21 GLN B 108 45.053 0.085 -26.939 1.00 53.76 H +ATOM 3294 N GLY B 109 38.299 -1.293 -24.815 1.00 16.80 N +ATOM 3295 CA GLY B 109 36.858 -1.184 -24.846 1.00 17.52 C +ATOM 3296 C GLY B 109 36.317 -1.502 -26.227 1.00 20.43 C +ATOM 3297 O GLY B 109 37.093 -1.523 -27.190 1.00 21.87 O +ATOM 3298 H GLY B 109 38.675 -2.214 -24.640 1.00 16.80 H +ATOM 3299 HA3 GLY B 109 36.564 -0.172 -24.565 1.00 17.52 H +ATOM 3300 HA2 GLY B 109 36.426 -1.873 -24.120 1.00 17.52 H +ATOM 3301 N THR B 110 35.032 -1.851 -26.310 1.00 22.05 N +ATOM 3302 CA THR B 110 34.316 -2.042 -27.559 1.00 22.66 C +ATOM 3303 C THR B 110 33.118 -1.119 -27.418 1.00 21.51 C +ATOM 3304 O THR B 110 32.537 -1.071 -26.328 1.00 22.37 O +ATOM 3305 CB THR B 110 33.619 -3.407 -27.817 1.00 25.15 C +ATOM 3306 OG1 THR B 110 34.001 -4.417 -26.892 1.00 29.20 O +ATOM 3307 CG2 THR B 110 33.898 -3.762 -29.248 1.00 24.75 C +ATOM 3308 H THR B 110 34.494 -2.000 -25.468 1.00 22.05 H +ATOM 3309 HA THR B 110 34.933 -1.753 -28.410 1.00 22.66 H +ATOM 3310 HB THR B 110 32.544 -3.255 -27.717 1.00 25.15 H +ATOM 3311 HG1 THR B 110 33.772 -4.139 -26.002 1.00 29.20 H +ATOM 3312 HG21 THR B 110 33.429 -4.717 -29.484 1.00 24.75 H +ATOM 3313 HG22 THR B 110 33.493 -2.988 -29.900 1.00 24.75 H +ATOM 3314 HG23 THR B 110 34.975 -3.839 -29.401 1.00 24.75 H +ATOM 3315 N THR B 111 32.705 -0.431 -28.465 1.00 23.23 N +ATOM 3316 CA THR B 111 31.507 0.386 -28.470 1.00 24.40 C +ATOM 3317 C THR B 111 30.289 -0.461 -28.839 1.00 25.25 C +ATOM 3318 O THR B 111 30.350 -1.304 -29.746 1.00 23.57 O +ATOM 3319 CB THR B 111 31.697 1.491 -29.474 1.00 26.05 C +ATOM 3320 OG1 THR B 111 32.899 2.112 -29.078 1.00 29.18 O +ATOM 3321 CG2 THR B 111 30.598 2.526 -29.508 1.00 30.22 C +ATOM 3322 H THR B 111 33.233 -0.456 -29.326 1.00 23.23 H +ATOM 3323 HA THR B 111 31.360 0.818 -27.480 1.00 24.40 H +ATOM 3324 HB THR B 111 31.821 1.061 -30.468 1.00 26.05 H +ATOM 3325 HG1 THR B 111 33.096 2.838 -29.674 1.00 29.18 H +ATOM 3326 HG21 THR B 111 30.829 3.277 -30.263 1.00 30.22 H +ATOM 3327 HG22 THR B 111 29.652 2.044 -29.754 1.00 30.22 H +ATOM 3328 HG23 THR B 111 30.519 3.005 -28.532 1.00 30.22 H +ATOM 3329 N LEU B 112 29.187 -0.348 -28.107 1.00 26.79 N +ATOM 3330 CA LEU B 112 27.962 -1.032 -28.483 1.00 27.40 C +ATOM 3331 C LEU B 112 26.846 -0.006 -28.608 1.00 27.76 C +ATOM 3332 O LEU B 112 26.730 0.872 -27.739 1.00 27.06 O +ATOM 3333 CB LEU B 112 27.558 -2.067 -27.432 1.00 29.76 C +ATOM 3334 CG LEU B 112 26.304 -2.839 -27.818 1.00 32.19 C +ATOM 3335 CD1 LEU B 112 26.656 -3.936 -28.798 1.00 32.24 C +ATOM 3336 CD2 LEU B 112 25.665 -3.397 -26.587 1.00 32.10 C +ATOM 3337 H LEU B 112 29.191 0.221 -27.273 1.00 26.79 H +ATOM 3338 HA LEU B 112 28.105 -1.529 -29.443 1.00 27.40 H +ATOM 3339 HB3 LEU B 112 27.397 -1.569 -26.476 1.00 29.76 H +ATOM 3340 HB2 LEU B 112 28.380 -2.766 -27.277 1.00 29.76 H +ATOM 3341 HG LEU B 112 25.604 -2.154 -28.296 1.00 32.19 H +ATOM 3342 HD11 LEU B 112 25.754 -4.484 -29.070 1.00 32.24 H +ATOM 3343 HD12 LEU B 112 27.097 -3.497 -29.693 1.00 32.24 H +ATOM 3344 HD13 LEU B 112 27.371 -4.619 -28.339 1.00 32.24 H +ATOM 3345 HD21 LEU B 112 24.767 -3.950 -26.862 1.00 32.10 H +ATOM 3346 HD22 LEU B 112 26.364 -4.066 -26.086 1.00 32.10 H +ATOM 3347 HD23 LEU B 112 25.397 -2.582 -25.915 1.00 32.10 H +ATOM 3348 N THR B 113 26.097 -0.017 -29.705 1.00 28.22 N +ATOM 3349 CA THR B 113 24.921 0.826 -29.824 1.00 30.65 C +ATOM 3350 C THR B 113 23.725 -0.127 -29.830 1.00 32.77 C +ATOM 3351 O THR B 113 23.756 -1.195 -30.464 1.00 29.59 O +ATOM 3352 CB THR B 113 24.984 1.682 -31.129 1.00 28.51 C +ATOM 3353 OG1 THR B 113 26.115 2.543 -30.987 1.00 29.52 O +ATOM 3354 CG2 THR B 113 23.766 2.580 -31.351 1.00 28.23 C +ATOM 3355 H THR B 113 26.342 -0.620 -30.477 1.00 28.22 H +ATOM 3356 HA THR B 113 24.857 1.486 -28.959 1.00 30.65 H +ATOM 3357 HB THR B 113 25.123 1.030 -31.991 1.00 28.51 H +ATOM 3358 HG1 THR B 113 26.909 2.014 -30.883 1.00 29.52 H +ATOM 3359 HG21 THR B 113 23.891 3.139 -32.278 1.00 28.23 H +ATOM 3360 HG22 THR B 113 22.868 1.966 -31.416 1.00 28.23 H +ATOM 3361 HG23 THR B 113 23.670 3.276 -30.518 1.00 28.23 H +ATOM 3362 N VAL B 114 22.724 0.195 -29.001 1.00 36.73 N +ATOM 3363 CA VAL B 114 21.485 -0.560 -28.980 1.00 40.72 C +ATOM 3364 C VAL B 114 20.483 0.254 -29.806 1.00 45.97 C +ATOM 3365 O VAL B 114 20.208 1.423 -29.503 1.00 47.22 O +ATOM 3366 CB VAL B 114 20.972 -0.739 -27.530 1.00 38.37 C +ATOM 3367 CG1 VAL B 114 19.756 -1.665 -27.545 1.00 39.37 C +ATOM 3368 CG2 VAL B 114 22.014 -1.369 -26.652 1.00 35.36 C +ATOM 3369 H VAL B 114 22.822 0.979 -28.372 1.00 36.73 H +ATOM 3370 HA VAL B 114 21.638 -1.536 -29.441 1.00 40.72 H +ATOM 3371 HB VAL B 114 20.688 0.231 -27.121 1.00 38.37 H +ATOM 3372 HG11 VAL B 114 19.387 -1.798 -26.528 1.00 39.37 H +ATOM 3373 HG12 VAL B 114 18.972 -1.226 -28.161 1.00 39.37 H +ATOM 3374 HG13 VAL B 114 20.041 -2.633 -27.957 1.00 39.37 H +ATOM 3375 HG21 VAL B 114 21.620 -1.480 -25.642 1.00 35.36 H +ATOM 3376 HG22 VAL B 114 22.279 -2.350 -27.048 1.00 35.36 H +ATOM 3377 HG23 VAL B 114 22.901 -0.736 -26.628 1.00 35.36 H +ATOM 3378 N SER B 115 19.980 -0.354 -30.874 1.00 52.75 N +ATOM 3379 CA SER B 115 19.025 0.230 -31.808 1.00 59.31 C +ATOM 3380 C SER B 115 17.537 0.038 -31.446 1.00 61.91 C +ATOM 3381 O SER B 115 17.191 -0.073 -30.256 1.00 63.92 O +ATOM 3382 CB SER B 115 19.381 -0.386 -33.169 1.00 59.64 C +ATOM 3383 OG SER B 115 19.545 -1.807 -33.212 1.00 59.36 O +ATOM 3384 H SER B 115 20.256 -1.300 -31.093 1.00 52.75 H +ATOM 3385 HA SER B 115 19.221 1.301 -31.863 1.00 59.31 H +ATOM 3386 HB3 SER B 115 20.283 0.091 -33.554 1.00 59.64 H +ATOM 3387 HB2 SER B 115 18.633 -0.089 -33.904 1.00 59.64 H +ATOM 3388 HG SER B 115 18.714 -2.218 -33.462 1.00 59.36 H +ATOM 3389 N SER B 116 16.655 0.080 -32.460 1.00 62.96 N +ATOM 3390 CA SER B 116 15.260 -0.278 -32.304 1.00 65.28 C +ATOM 3391 C SER B 116 15.167 -1.792 -32.522 1.00 66.96 C +ATOM 3392 O SER B 116 14.326 -2.422 -31.880 1.00 70.24 O +ATOM 3393 CB SER B 116 14.387 0.444 -33.333 1.00 65.65 C +ATOM 3394 OG SER B 116 14.328 1.850 -33.106 1.00 65.70 O +ATOM 3395 OXT SER B 116 15.971 -2.353 -33.275 1.00 66.46 O +ATOM 3396 H SER B 116 16.956 0.371 -33.379 1.00 62.96 H +ATOM 3397 HA SER B 116 14.926 -0.029 -31.297 1.00 65.28 H +ATOM 3398 HB3 SER B 116 13.379 0.030 -33.307 1.00 65.65 H +ATOM 3399 HB2 SER B 116 14.775 0.255 -34.334 1.00 65.65 H +ATOM 3400 HG SER B 116 15.212 2.220 -33.157 1.00 65.70 H +TER 3401 SER B 116 +END diff --git a/test/PDB/BondsRestoring/3mxw_ab_b.mae b/test/PDB/BondsRestoring/3mxw_ab_b.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/3mxw_ab_b.mae @@ -0,0 +1,13238 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 3.0 + /data/user/asadovnikov/git/abase/data/3mxw_H+L|A/prepared_schrod/3mxw_ab_b.pdb + 1 + 2 + m_atom[6548] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_insertion_code + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + r_m_pdb_tfactor + i_pdb_PDB_serial + i_pdb_seqres_index + ::: + 1 32 -30.402000 -17.217000 36.999000 1 " " D L 2 "ASP " " N " 7 1 0 1 32.44 1 1 + 2 3 -29.057000 -16.989000 36.410000 1 " " D L 2 "ASP " " CA " 6 0 0 1 29.73 2 1 + 3 2 -28.867000 -15.542000 35.999000 1 " " D L 2 "ASP " " C " 6 0 0 1 28.06 3 1 + 4 15 -29.833000 -14.828000 35.719000 1 " " D L 2 "ASP " " O " 8 0 0 1 25.63 4 1 + 5 3 -28.841000 -17.904000 35.212000 1 " " D L 2 "ASP " " CB " 6 0 0 1 32.55 5 1 + 6 2 -29.043000 -19.374000 35.557000 1 " " D L 2 "ASP " " CG " 6 0 0 1 34.56 6 1 + 7 15 -29.521000 -19.690000 36.677000 1 " " D L 2 "ASP " " OD1" 8 0 0 1 35.61 7 1 + 8 18 -28.726000 -20.211000 34.697000 1 " " D L 2 "ASP " " OD2" 8 -1 0 1 31.69 8 1 + 9 44 -30.495000 -18.188000 37.261000 1 " " D L 2 "ASP " " H1 " 1 0 0 1 32.44 9 1 + 10 44 -30.515000 -16.636000 37.817000 1 " " D L 2 "ASP " " H2 " 1 0 0 1 32.44 10 1 + 11 44 -31.112000 -16.983000 36.320000 1 " " D L 2 "ASP " " H3 " 1 0 0 1 32.44 11 1 + 12 41 -28.308000 -17.231000 37.164000 1 " " D L 2 "ASP " " HA " 1 0 0 1 29.73 12 1 + 13 41 -27.834000 -17.758000 34.822000 1 " " D L 2 "ASP " " HB3" 1 0 0 1 32.55 13 1 + 14 41 -29.526000 -17.622000 34.413000 1 " " D L 2 "ASP " " HB2" 1 0 0 1 32.55 14 1 + 15 25 -27.613000 -15.114000 35.969000 2 " " I L 2 "ILE " " N " 7 0 0 1 23.01 15 2 + 16 3 -27.286000 -13.751000 35.595000 2 " " I L 2 "ILE " " CA " 6 0 0 1 22.66 16 2 + 17 2 -27.155000 -13.672000 34.078000 2 " " I L 2 "ILE " " C " 6 0 0 1 19.9 17 2 + 18 15 -26.507000 -14.511000 33.460000 2 " " I L 2 "ILE " " O " 8 0 0 1 20.48 18 2 + 19 3 -26.007000 -13.263000 36.297000 2 " " I L 2 "ILE " " CB " 6 0 0 1 21.88 19 2 + 20 3 -26.151000 -13.440000 37.818000 2 " " I L 2 "ILE " " CG1" 6 0 0 1 20.73 20 2 + 21 3 -25.720000 -11.800000 35.936000 2 " " I L 2 "ILE " " CG2" 6 0 0 1 21.08 21 2 + 22 3 -24.954000 -12.959000 38.631000 2 " " I L 2 "ILE " " CD1" 6 0 0 1 22.84 22 2 + 23 43 -26.859000 -15.742000 36.210000 2 " " I L 2 "ILE " " H " 1 0 0 1 23.01 23 2 + 24 41 -28.110000 -13.106000 35.900000 2 " " I L 2 "ILE " " HA " 1 0 0 1 22.66 24 2 + 25 41 -25.171000 -13.874000 35.956000 2 " " I L 2 "ILE " " HB " 1 0 0 1 21.88 25 2 + 26 41 -26.342000 -14.489000 38.043000 2 " " I L 2 "ILE " "HG13" 1 0 0 1 20.73 26 2 + 27 41 -27.049000 -12.924000 38.158000 2 " " I L 2 "ILE " "HG12" 1 0 0 1 20.73 27 2 + 28 41 -24.812000 -11.472000 36.442000 2 " " I L 2 "ILE " "HG21" 1 0 0 1 21.08 28 2 + 29 41 -25.588000 -11.711000 34.858000 2 " " I L 2 "ILE " "HG22" 1 0 0 1 21.08 29 2 + 30 41 -26.556000 -11.176000 36.252000 2 " " I L 2 "ILE " "HG23" 1 0 0 1 21.08 30 2 + 31 41 -25.145000 -13.123000 39.692000 2 " " I L 2 "ILE " "HD11" 1 0 0 1 22.84 31 2 + 32 41 -24.065000 -13.514000 38.332000 2 " " I L 2 "ILE " "HD12" 1 0 0 1 22.84 32 2 + 33 41 -24.796000 -11.896000 38.451000 2 " " I L 2 "ILE " "HD13" 1 0 0 1 22.84 33 2 + 34 25 -27.799000 -12.671000 33.481000 3 " " V L 2 "VAL " " N " 7 0 0 1 20.93 34 3 + 35 3 -27.752000 -12.491000 32.029000 3 " " V L 2 "VAL " " CA " 6 0 0 1 21.31 35 3 + 36 2 -26.763000 -11.375000 31.697000 3 " " V L 2 "VAL " " C " 6 0 0 1 22 36 3 + 37 15 -26.814000 -10.287000 32.290000 3 " " V L 2 "VAL " " O " 8 0 0 1 21.65 37 3 + 38 3 -29.175000 -12.230000 31.440000 3 " " V L 2 "VAL " " CB " 6 0 0 1 23.59 38 3 + 39 3 -29.118000 -11.821000 29.964000 3 " " V L 2 "VAL " " CG1" 6 0 0 1 25.66 39 3 + 40 3 -30.049000 -13.473000 31.605000 3 " " V L 2 "VAL " " CG2" 6 0 0 1 25.59 40 3 + 41 43 -28.335000 -12.015000 34.032000 3 " " V L 2 "VAL " " H " 1 0 0 1 20.93 41 3 + 42 41 -27.373000 -13.414000 31.590000 3 " " V L 2 "VAL " " HA " 1 0 0 1 21.31 42 3 + 43 41 -29.632000 -11.415000 32.002000 3 " " V L 2 "VAL " " HB " 1 0 0 1 23.59 43 3 + 44 41 -30.129000 -11.649000 29.595000 3 " " V L 2 "VAL " "HG11" 1 0 0 1 25.66 44 3 + 45 41 -28.534000 -10.906000 29.862000 3 " " V L 2 "VAL " "HG12" 1 0 0 1 25.66 45 3 + 46 41 -28.650000 -12.616000 29.384000 3 " " V L 2 "VAL " "HG13" 1 0 0 1 25.66 46 3 + 47 41 -31.039000 -13.280000 31.191000 3 " " V L 2 "VAL " "HG21" 1 0 0 1 25.59 47 3 + 48 41 -29.593000 -14.311000 31.078000 3 " " V L 2 "VAL " "HG22" 1 0 0 1 25.59 48 3 + 49 41 -30.140000 -13.716000 32.664000 3 " " V L 2 "VAL " "HG23" 1 0 0 1 25.59 49 3 + 50 25 -25.847000 -11.667000 30.775000 4 " " M L 2 "MET " " N " 7 0 2 1 19.92 50 4 + 51 3 -24.879000 -10.681000 30.315000 4 " " M L 2 "MET " " CA " 6 0 2 1 20.07 51 4 + 52 2 -25.308000 -10.210000 28.934000 4 " " M L 2 "MET " " C " 6 0 2 1 20.16 52 4 + 53 15 -25.366000 -11.007000 27.996000 4 " " M L 2 "MET " " O " 8 0 2 1 22.04 53 4 + 54 3 -23.469000 -11.279000 30.270000 4 " " M L 2 "MET " " CB " 6 0 2 1 22.01 54 4 + 55 3 -23.023000 -11.933000 31.571000 4 " " M L 2 "MET " " CG " 6 0 2 1 24.69 55 4 + 56 49 -23.012000 -10.792000 32.943000 4 " " M L 2 "MET " " SD " 16 0 2 1 26.59 56 4 + 57 3 -21.780000 -9.636000 32.397000 4 " " M L 2 "MET " " CE " 6 0 2 1 26.78 57 4 + 58 43 -25.811000 -12.594000 30.375000 4 " " M L 2 "MET " " H " 1 0 2 1 19.92 58 4 + 59 41 -24.884000 -9.832000 30.998000 4 " " M L 2 "MET " " HA " 1 0 2 1 20.07 59 4 + 60 41 -22.756000 -10.502000 29.993000 4 " " M L 2 "MET " " HB3" 1 0 2 1 22.01 60 4 + 61 41 -23.411000 -12.008000 29.461000 4 " " M L 2 "MET " " HB2" 1 0 2 1 22.01 61 4 + 62 41 -22.026000 -12.354000 31.442000 4 " " M L 2 "MET " " HG3" 1 0 2 1 24.69 62 4 + 63 41 -23.683000 -12.770000 31.801000 4 " " M L 2 "MET " " HG2" 1 0 2 1 24.69 63 4 + 64 41 -21.655000 -8.856000 33.148000 4 " " M L 2 "MET " " HE1" 1 0 2 1 26.78 64 4 + 65 41 -20.833000 -10.155000 32.252000 4 " " M L 2 "MET " " HE2" 1 0 2 1 26.78 65 4 + 66 41 -22.095000 -9.186000 31.456000 4 " " M L 2 "MET " " HE3" 1 0 2 1 26.78 66 4 + 67 25 -25.638000 -8.924000 28.828000 5 " " T L 2 "THR " " N " 7 0 2 1 23.86 67 5 + 68 3 -26.066000 -8.345000 27.554000 5 " " T L 2 "THR " " CA " 6 0 2 1 24.32 68 5 + 69 2 -24.920000 -7.548000 26.963000 5 " " T L 2 "THR " " C " 6 0 2 1 20.99 69 5 + 70 15 -24.461000 -6.560000 27.542000 5 " " T L 2 "THR " " O " 8 0 2 1 22.39 70 5 + 71 3 -27.306000 -7.474000 27.703000 5 " " T L 2 "THR " " CB " 6 0 2 1 24.42 71 5 + 72 16 -28.278000 -8.178000 28.478000 5 " " T L 2 "THR " " OG1" 8 0 2 1 28.84 72 5 + 73 3 -27.898000 -7.154000 26.339000 5 " " T L 2 "THR " " CG2" 6 0 2 1 26.6 73 5 + 74 43 -25.596000 -8.323000 29.639000 5 " " T L 2 "THR " " H " 1 0 2 1 23.86 74 5 + 75 41 -26.302000 -9.161000 26.871000 5 " " T L 2 "THR " " HA " 1 0 2 1 24.32 75 5 + 76 41 -27.040000 -6.547000 28.210000 5 " " T L 2 "THR " " HB " 1 0 2 1 24.42 76 5 + 77 42 -27.915000 -8.375000 29.345000 5 " " T L 2 "THR " " HG1" 1 0 2 1 28.84 77 5 + 78 41 -28.784000 -6.531000 26.464000 5 " " T L 2 "THR " "HG21" 1 0 2 1 26.6 78 5 + 79 41 -27.161000 -6.621000 25.738000 5 " " T L 2 "THR " "HG22" 1 0 2 1 26.6 79 5 + 80 41 -28.174000 -8.081000 25.836000 5 " " T L 2 "THR " "HG23" 1 0 2 1 26.6 80 5 + 81 25 -24.478000 -7.995000 25.800000 6 " " Q L 2 "GLN " " N " 7 0 2 1 19.6 81 6 + 82 3 -23.287000 -7.465000 25.168000 6 " " Q L 2 "GLN " " CA " 6 0 2 1 22.69 82 6 + 83 2 -23.678000 -6.661000 23.943000 6 " " Q L 2 "GLN " " C " 6 0 2 1 23.16 83 6 + 84 15 -24.492000 -7.115000 23.130000 6 " " Q L 2 "GLN " " O " 8 0 2 1 24.03 84 6 + 85 3 -22.372000 -8.628000 24.782000 6 " " Q L 2 "GLN " " CB " 6 0 2 1 27.53 85 6 + 86 3 -20.924000 -8.258000 24.671000 6 " " Q L 2 "GLN " " CG " 6 0 2 1 28.44 86 6 + 87 2 -20.030000 -9.429000 24.319000 6 " " Q L 2 "GLN " " CD " 6 0 2 1 23.1 87 6 + 88 15 -20.171000 -10.538000 24.845000 6 " " Q L 2 "GLN " " OE1" 8 0 2 1 22.85 88 6 + 89 25 -19.081000 -9.176000 23.441000 6 " " Q L 2 "GLN " " NE2" 7 0 2 1 21.45 89 6 + 90 43 -24.975000 -8.732000 25.320000 6 " " Q L 2 "GLN " " H " 1 0 2 1 19.6 90 6 + 91 41 -22.766000 -6.816000 25.872000 6 " " Q L 2 "GLN " " HA " 1 0 2 1 22.69 91 6 + 92 41 -22.709000 -9.055000 23.837000 6 " " Q L 2 "GLN " " HB3" 1 0 2 1 27.53 92 6 + 93 41 -22.485000 -9.433000 25.508000 6 " " Q L 2 "GLN " " HB2" 1 0 2 1 27.53 93 6 + 94 41 -20.590000 -7.817000 25.610000 6 " " Q L 2 "GLN " " HG3" 1 0 2 1 28.44 94 6 + 95 41 -20.807000 -7.475000 23.921000 6 " " Q L 2 "GLN " " HG2" 1 0 2 1 28.44 95 6 + 96 43 -18.446000 -9.909000 23.158000 6 " " Q L 2 "GLN " "HE22" 1 0 2 1 21.45 96 6 + 97 43 -18.988000 -8.249000 23.051000 6 " " Q L 2 "GLN " "HE21" 1 0 2 1 21.45 97 6 + 98 25 -23.093000 -5.471000 23.820000 7 " " T L 2 "THR " " N " 7 0 2 1 22.94 98 7 + 99 3 -23.397000 -4.535000 22.722000 7 " " T L 2 "THR " " CA " 6 0 2 1 24.76 99 7 + 100 2 -22.114000 -3.792000 22.290000 7 " " T L 2 "THR " " C " 6 0 2 1 24.05 100 7 + 101 15 -21.222000 -3.549000 23.117000 7 " " T L 2 "THR " " O " 8 0 2 1 23.9 101 7 + 102 3 -24.464000 -3.484000 23.132000 7 " " T L 2 "THR " " CB " 6 0 2 1 25.35 102 7 + 103 16 -24.049000 -2.804000 24.322000 7 " " T L 2 "THR " " OG1" 8 0 2 1 24.93 103 7 + 104 3 -25.838000 -4.118000 23.374000 7 " " T L 2 "THR " " CG2" 6 0 2 1 25.62 104 7 + 105 43 -22.406000 -5.174000 24.498000 7 " " T L 2 "THR " " H " 1 0 2 1 22.94 105 7 + 106 41 -23.775000 -5.104000 21.872000 7 " " T L 2 "THR " " HA " 1 0 2 1 24.76 106 7 + 107 41 -24.556000 -2.753000 22.329000 7 " " T L 2 "THR " " HB " 1 0 2 1 25.35 107 7 + 108 42 -23.213000 -2.360000 24.162000 7 " " T L 2 "THR " " HG1" 1 0 2 1 24.93 108 7 + 109 41 -26.551000 -3.344000 23.658000 7 " " T L 2 "THR " "HG21" 1 0 2 1 25.62 109 7 + 110 41 -26.179000 -4.608000 22.462000 7 " " T L 2 "THR " "HG22" 1 0 2 1 25.62 110 7 + 111 41 -25.763000 -4.854000 24.174000 7 " " T L 2 "THR " "HG23" 1 0 2 1 25.62 111 7 + 112 25 -21.991000 -3.475000 20.989000 8 " " P L 2 "PRO " " N " 7 0 0 1 25.71 112 8 + 113 3 -22.884000 -3.908000 19.901000 8 " " P L 2 "PRO " " CA " 6 0 0 1 27.4 113 8 + 114 2 -22.666000 -5.377000 19.532000 8 " " P L 2 "PRO " " C " 6 0 0 1 26 114 8 + 115 15 -21.763000 -6.022000 20.067000 8 " " P L 2 "PRO " " O " 8 0 0 1 24.5 115 8 + 116 3 -22.485000 -2.986000 18.741000 8 " " P L 2 "PRO " " CB " 6 0 0 1 26.05 116 8 + 117 3 -21.040000 -2.695000 19.000000 8 " " P L 2 "PRO " " CG " 6 0 0 1 26.13 117 8 + 118 3 -20.908000 -2.600000 20.496000 8 " " P L 2 "PRO " " CD " 6 0 0 1 26.1 118 8 + 119 41 -23.925000 -3.739000 20.177000 8 " " P L 2 "PRO " " HA " 1 0 0 1 27.4 119 8 + 120 41 -23.056000 -2.060000 18.804000 8 " " P L 2 "PRO " " HB3" 1 0 0 1 26.05 120 8 + 121 41 -22.580000 -3.528000 17.800000 8 " " P L 2 "PRO " " HB2" 1 0 0 1 26.05 121 8 + 122 41 -20.778000 -1.736000 18.552000 8 " " P L 2 "PRO " " HG3" 1 0 0 1 26.13 122 8 + 123 41 -20.433000 -3.524000 18.635000 8 " " P L 2 "PRO " " HG2" 1 0 0 1 26.13 123 8 + 124 41 -19.946000 -3.013000 20.799000 8 " " P L 2 "PRO " " HD2" 1 0 0 1 26.1 124 8 + 125 41 -21.103000 -1.575000 20.810000 8 " " P L 2 "PRO " " HD3" 1 0 0 1 26.1 125 8 + 126 25 -23.481000 -5.895000 18.620000 9 " " K L 2 "LYS " " N " 7 0 0 1 27.01 126 9 + 127 3 -23.340000 -7.276000 18.144000 9 " " K L 2 "LYS " " CA " 6 0 0 1 28.44 127 9 + 128 2 -22.229000 -7.381000 17.092000 9 " " K L 2 "LYS " " C " 6 0 0 1 23.88 128 9 + 129 15 -21.621000 -8.437000 16.906000 9 " " K L 2 "LYS " " O " 8 0 0 1 22.17 129 9 + 130 3 -24.668000 -7.777000 17.558000 9 " " K L 2 "LYS " " CB " 6 0 0 1 35.7 130 9 + 131 3 -25.907000 -7.491000 18.423000 9 " " K L 2 "LYS " " CG " 6 0 0 1 40.03 131 9 + 132 3 -26.188000 -8.614000 19.415000 9 " " K L 2 "LYS " " CD " 6 0 0 1 45.32 132 9 + 133 3 -27.369000 -8.291000 20.355000 9 " " K L 2 "LYS " " CE " 6 0 0 1 46.04 133 9 + 134 32 -26.972000 -7.697000 21.679000 9 " " K L 2 "LYS " " NZ " 7 1 0 1 50.38 134 9 + 135 43 -24.226000 -5.334000 18.232000 9 " " K L 2 "LYS " " H " 1 0 0 1 27.01 135 9 + 136 41 -23.075000 -7.909000 18.991000 9 " " K L 2 "LYS " " HA " 1 0 0 1 28.44 136 9 + 137 41 -24.598000 -8.849000 17.371000 9 " " K L 2 "LYS " " HB3" 1 0 0 1 35.7 137 9 + 138 41 -24.812000 -7.344000 16.568000 9 " " K L 2 "LYS " " HB2" 1 0 0 1 35.7 138 9 + 139 41 -26.775000 -7.351000 17.778000 9 " " K L 2 "LYS " " HG3" 1 0 0 1 40.03 139 9 + 140 41 -25.763000 -6.556000 18.965000 9 " " K L 2 "LYS " " HG2" 1 0 0 1 40.03 140 9 + 141 41 -25.294000 -8.805000 20.009000 9 " " K L 2 "LYS " " HD3" 1 0 0 1 45.32 141 9 + 142 41 -26.400000 -9.534000 18.870000 9 " " K L 2 "LYS " " HD2" 1 0 0 1 45.32 142 9 + 143 41 -27.952000 -9.196000 20.526000 9 " " K L 2 "LYS " " HE3" 1 0 0 1 46.04 143 9 + 144 41 -28.059000 -7.616000 19.849000 9 " " K L 2 "LYS " " HE2" 1 0 0 1 46.04 144 9 + 145 44 -26.206000 -7.053000 21.543000 9 " " K L 2 "LYS " " HZ1" 1 0 0 1 50.38 145 9 + 146 44 -27.759000 -7.204000 22.077000 9 " " K L 2 "LYS " " HZ2" 1 0 0 1 50.38 146 9 + 147 44 -26.685000 -8.434000 22.307000 9 " " K L 2 "LYS " " HZ3" 1 0 0 1 50.38 147 9 + 148 25 -21.969000 -6.269000 16.413000 10 " " F L 2 "PHE " " N " 7 0 2 1 22.28 148 10 + 149 3 -21.020000 -6.242000 15.306000 10 " " F L 2 "PHE " " CA " 6 0 2 1 26.52 149 10 + 150 2 -20.389000 -4.854000 15.216000 10 " " F L 2 "PHE " " C " 6 0 2 1 23.65 150 10 + 151 15 -21.060000 -3.848000 15.462000 10 " " F L 2 "PHE " " O " 8 0 2 1 19.82 151 10 + 152 3 -21.754000 -6.628000 14.007000 10 " " F L 2 "PHE " " CB " 6 0 2 1 34.87 152 10 + 153 2 -21.231000 -5.954000 12.772000 10 " " F L 2 "PHE " " CG " 6 0 2 1 39.85 153 10 + 154 2 -20.208000 -6.539000 12.024000 10 " " F L 2 "PHE " " CD1" 6 0 2 1 43.84 154 10 + 155 2 -21.775000 -4.739000 12.341000 10 " " F L 2 "PHE " " CD2" 6 0 2 1 43.93 155 10 + 156 2 -19.722000 -5.911000 10.870000 10 " " F L 2 "PHE " " CE1" 6 0 2 1 42.77 156 10 + 157 2 -21.297000 -4.105000 11.188000 10 " " F L 2 "PHE " " CE2" 6 0 2 1 43.64 157 10 + 158 2 -20.269000 -4.696000 10.453000 10 " " F L 2 "PHE " " CZ " 6 0 2 1 41.78 158 10 + 159 43 -22.435000 -5.407000 16.658000 10 " " F L 2 "PHE " " H " 1 0 2 1 22.28 159 10 + 160 41 -20.235000 -6.974000 15.497000 10 " " F L 2 "PHE " " HA " 1 0 2 1 26.52 160 10 + 161 41 -22.817000 -6.410000 14.114000 10 " " F L 2 "PHE " " HB3" 1 0 2 1 34.87 161 10 + 162 41 -21.709000 -7.709000 13.875000 10 " " F L 2 "PHE " " HB2" 1 0 2 1 34.87 162 10 + 163 41 -19.785000 -7.483000 12.334000 10 " " F L 2 "PHE " " HD1" 1 0 2 1 43.84 163 10 + 164 41 -22.575000 -4.277000 12.900000 10 " " F L 2 "PHE " " HD2" 1 0 2 1 43.93 164 10 + 165 41 -18.924000 -6.367000 10.303000 10 " " F L 2 "PHE " " HE1" 1 0 2 1 42.77 165 10 + 166 41 -21.724000 -3.164000 10.873000 10 " " F L 2 "PHE " " HE2" 1 0 2 1 43.64 166 10 + 167 41 -19.896000 -4.214000 9.561000 10 " " F L 2 "PHE " " HZ " 1 0 2 1 41.78 167 10 + 168 25 -19.100000 -4.809000 14.884000 11 " " L L 2 "LEU " " N " 7 0 2 1 22.06 168 11 + 169 3 -18.399000 -3.557000 14.602000 11 " " L L 2 "LEU " " CA " 6 0 2 1 21.29 169 11 + 170 2 -17.558000 -3.720000 13.354000 11 " " L L 2 "LEU " " C " 6 0 2 1 23.04 170 11 + 171 15 -16.895000 -4.751000 13.192000 11 " " L L 2 "LEU " " O " 8 0 2 1 21.61 171 11 + 172 3 -17.487000 -3.162000 15.765000 11 " " L L 2 "LEU " " CB " 6 0 2 1 23 172 11 + 173 3 -18.108000 -2.494000 16.991000 11 " " L L 2 "LEU " " CG " 6 0 2 1 27.83 173 11 + 174 3 -17.100000 -2.438000 18.122000 11 " " L L 2 "LEU " " CD1" 6 0 2 1 25.58 174 11 + 175 3 -18.623000 -1.087000 16.657000 11 " " L L 2 "LEU " " CD2" 6 0 2 1 25.77 175 11 + 176 43 -18.565000 -5.663000 14.818000 11 " " L L 2 "LEU " " H " 1 0 2 1 22.06 176 11 + 177 41 -19.132000 -2.767000 14.438000 11 " " L L 2 "LEU " " HA " 1 0 2 1 21.29 177 11 + 178 41 -16.680000 -2.534000 15.387000 11 " " L L 2 "LEU " " HB3" 1 0 2 1 23 178 11 + 179 41 -16.919000 -4.036000 16.085000 11 " " L L 2 "LEU " " HB2" 1 0 2 1 23 179 11 + 180 41 -18.954000 -3.099000 17.317000 11 " " L L 2 "LEU " " HG " 1 0 2 1 27.83 180 11 + 181 41 -17.554000 -1.960000 18.990000 11 " " L L 2 "LEU " "HD11" 1 0 2 1 25.58 181 11 + 182 41 -16.791000 -3.450000 18.385000 11 " " L L 2 "LEU " "HD12" 1 0 2 1 25.58 182 11 + 183 41 -16.229000 -1.864000 17.805000 11 " " L L 2 "LEU " "HD13" 1 0 2 1 25.58 183 11 + 184 41 -19.059000 -0.638000 17.549000 11 " " L L 2 "LEU " "HD21" 1 0 2 1 25.77 184 11 + 185 41 -17.795000 -0.470000 16.308000 11 " " L L 2 "LEU " "HD22" 1 0 2 1 25.77 185 11 + 186 41 -19.381000 -1.153000 15.876000 11 " " L L 2 "LEU " "HD23" 1 0 2 1 25.77 186 11 + 187 25 -17.597000 -2.715000 12.480000 12 " " L L 2 "LEU " " N " 7 0 2 1 19.34 187 12 + 188 3 -16.703000 -2.637000 11.318000 12 " " L L 2 "LEU " " CA " 6 0 2 1 19.35 188 12 + 189 2 -15.780000 -1.445000 11.537000 12 " " L L 2 "LEU " " C " 6 0 2 1 21.97 189 12 + 190 15 -16.233000 -0.308000 11.722000 12 " " L L 2 "LEU " " O " 8 0 2 1 20.64 190 12 + 191 3 -17.482000 -2.485000 10.013000 12 " " L L 2 "LEU " " CB " 6 0 2 1 18.77 191 12 + 192 3 -16.712000 -2.383000 8.691000 12 " " L L 2 "LEU " " CG " 6 0 2 1 19.87 192 12 + 193 3 -15.994000 -3.690000 8.334000 12 " " L L 2 "LEU " " CD1" 6 0 2 1 21.9 193 12 + 194 3 -17.668000 -1.992000 7.568000 12 " " L L 2 "LEU " " CD2" 6 0 2 1 19.62 194 12 + 195 43 -18.262000 -1.965000 12.603000 12 " " L L 2 "LEU " " H " 1 0 2 1 19.34 195 12 + 196 41 -16.103000 -3.546000 11.270000 12 " " L L 2 "LEU " " HA " 1 0 2 1 19.35 196 12 + 197 41 -18.156000 -1.632000 10.099000 12 " " L L 2 "LEU " " HB3" 1 0 2 1 18.77 197 12 + 198 41 -18.211000 -3.292000 9.938000 12 " " L L 2 "LEU " " HB2" 1 0 2 1 18.77 198 12 + 199 41 -15.963000 -1.598000 8.791000 12 " " L L 2 "LEU " " HG " 1 0 2 1 19.87 199 12 + 200 41 -15.463000 -3.567000 7.390000 12 " " L L 2 "LEU " "HD11" 1 0 2 1 21.9 200 12 + 201 41 -15.282000 -3.941000 9.121000 12 " " L L 2 "LEU " "HD12" 1 0 2 1 21.9 201 12 + 202 41 -16.725000 -4.492000 8.237000 12 " " L L 2 "LEU " "HD13" 1 0 2 1 21.9 202 12 + 203 41 -17.118000 -1.920000 6.630000 12 " " L L 2 "LEU " "HD21" 1 0 2 1 19.62 203 12 + 204 41 -18.448000 -2.748000 7.474000 12 " " L L 2 "LEU " "HD22" 1 0 2 1 19.62 204 12 + 205 41 -18.123000 -1.028000 7.796000 12 " " L L 2 "LEU " "HD23" 1 0 2 1 19.62 205 12 + 206 25 -14.482000 -1.720000 11.515000 13 " " V L 2 "VAL " " N " 7 0 2 1 18.77 206 13 + 207 3 -13.487000 -0.766000 11.978000 13 " " V L 2 "VAL " " CA " 6 0 2 0.5 18.13 207 13 + 208 2 -12.220000 -0.855000 11.116000 13 " " V L 2 "VAL " " C " 6 0 2 1 20.01 208 13 + 209 15 -11.806000 -1.942000 10.723000 13 " " V L 2 "VAL " " O " 8 0 2 1 19.49 209 13 + 210 3 -13.205000 -0.996000 13.509000 13 " " V L 2 "VAL " " CB " 6 0 2 0.5 19.44 210 13 + 211 3 -12.636000 -2.393000 13.798000 13 " " V L 2 "VAL " " CG1" 6 0 2 0.5 11.3 211 13 + 212 3 -12.337000 0.085000 14.102000 13 " " V L 2 "VAL " " CG2" 6 0 2 0.5 22.94 212 13 + 213 43 -14.161000 -2.613000 11.170000 13 " " V L 2 "VAL " " H " 1 0 2 1 18.77 213 13 + 214 41 -13.902000 0.235000 11.861000 13 " " V L 2 "VAL " " HA " 1 0 2 1 18.13 214 13 + 215 41 -14.168000 -0.939000 14.017000 13 " " V L 2 "VAL " " HB " 1 0 2 1 19.44 215 13 + 216 41 -12.459000 -2.500000 14.868000 13 " " V L 2 "VAL " "HG11" 1 0 2 1 11.3 216 13 + 217 41 -13.348000 -3.151000 13.470000 13 " " V L 2 "VAL " "HG12" 1 0 2 1 11.3 217 13 + 218 41 -11.696000 -2.521000 13.261000 13 " " V L 2 "VAL " "HG13" 1 0 2 1 11.3 218 13 + 219 41 -12.172000 -0.120000 15.160000 13 " " V L 2 "VAL " "HG21" 1 0 2 1 22.94 219 13 + 220 41 -11.379000 0.108000 13.583000 13 " " V L 2 "VAL " "HG22" 1 0 2 1 22.94 220 13 + 221 41 -12.832000 1.050000 13.992000 13 " " V L 2 "VAL " "HG23" 1 0 2 1 22.94 221 13 + 222 25 -11.624000 0.293000 10.808000 14 " " S L 2 "SER " " N " 7 0 2 1 16.56 222 14 + 223 3 -10.349000 0.334000 10.076000 14 " " S L 2 "SER " " CA " 6 0 2 1 18.92 223 14 + 224 2 -9.207000 0.137000 11.072000 14 " " S L 2 "SER " " C " 6 0 2 1 19.94 224 14 + 225 15 -9.316000 0.538000 12.240000 14 " " S L 2 "SER " " O " 8 0 2 1 17.72 225 14 + 226 3 -10.160000 1.670000 9.361000 14 " " S L 2 "SER " " CB " 6 0 2 1 20.54 226 14 + 227 16 -11.063000 1.813000 8.289000 14 " " S L 2 "SER " " OG " 8 0 2 1 23.09 227 14 + 228 43 -12.047000 1.170000 11.078000 14 " " S L 2 "SER " " H " 1 0 2 1 16.56 228 14 + 229 41 -10.329000 -0.472000 9.343000 14 " " S L 2 "SER " " HA " 1 0 2 1 18.92 229 14 + 230 41 -9.139000 1.740000 8.987000 14 " " S L 2 "SER " " HB3" 1 0 2 1 20.54 230 14 + 231 41 -10.307000 2.485000 10.070000 14 " " S L 2 "SER " " HB2" 1 0 2 1 20.54 231 14 + 232 42 -10.922000 1.106000 7.655000 14 " " S L 2 "SER " " HG " 1 0 2 1 23.09 232 14 + 233 25 -8.122000 -0.496000 10.626000 15 " " A L 2 "ALA " " N " 7 0 0 1 21.99 233 15 + 234 3 -6.933000 -0.627000 11.461000 15 " " A L 2 "ALA " " CA " 6 0 0 1 22.9 234 15 + 235 2 -6.519000 0.769000 11.926000 15 " " A L 2 "ALA " " C " 6 0 0 1 21.83 235 15 + 236 15 -6.447000 1.702000 11.121000 15 " " A L 2 "ALA " " O " 8 0 0 1 21.39 236 15 + 237 3 -5.798000 -1.298000 10.688000 15 " " A L 2 "ALA " " CB " 6 0 0 1 24.88 237 15 + 238 43 -8.115000 -0.893000 9.698000 15 " " A L 2 "ALA " " H " 1 0 0 1 21.99 238 15 + 239 41 -7.176000 -1.234000 12.333000 15 " " A L 2 "ALA " " HA " 1 0 0 1 22.9 239 15 + 240 41 -4.922000 -1.385000 11.331000 15 " " A L 2 "ALA " " HB1" 1 0 0 1 24.88 240 15 + 241 41 -6.113000 -2.291000 10.368000 15 " " A L 2 "ALA " " HB2" 1 0 0 1 24.88 241 15 + 242 41 -5.548000 -0.697000 9.814000 15 " " A L 2 "ALA " " HB3" 1 0 0 1 24.88 242 15 + 243 25 -6.267000 0.903000 13.226000 16 " " G L 2 "GLY " " N " 7 0 0 1 22.17 243 16 + 244 3 -5.950000 2.194000 13.833000 16 " " G L 2 "GLY " " CA " 6 0 0 1 23.42 244 16 + 245 2 -7.099000 2.837000 14.597000 16 " " G L 2 "GLY " " C " 6 0 0 1 26.68 245 16 + 246 15 -6.866000 3.730000 15.432000 16 " " G L 2 "GLY " " O " 8 0 0 1 28.67 246 16 + 247 43 -6.291000 0.095000 13.831000 16 " " G L 2 "GLY " " H " 1 0 0 1 22.17 247 16 + 248 41 -5.601000 2.880000 13.061000 16 " " G L 2 "GLY " " HA3" 1 0 0 1 23.42 248 16 + 249 41 -5.094000 2.080000 14.498000 16 " " G L 2 "GLY " " HA2" 1 0 0 1 23.42 249 16 + 250 25 -8.333000 2.417000 14.310000 17 " " D L 2 "ASP " " N " 7 0 0 1 21.98 250 17 + 251 3 -9.510000 2.984000 14.983000 17 " " D L 2 "ASP " " CA " 6 0 0 1 24.8 251 17 + 252 2 -9.679000 2.374000 16.382000 17 " " D L 2 "ASP " " C " 6 0 0 1 23.39 252 17 + 253 15 -9.095000 1.328000 16.700000 17 " " D L 2 "ASP " " O " 8 0 0 1 23.68 253 17 + 254 3 -10.817000 2.741000 14.208000 17 " " D L 2 "ASP " " CB " 6 0 0 1 22.46 254 17 + 255 2 -10.906000 3.462000 12.857000 17 " " D L 2 "ASP " " CG " 6 0 0 1 28.91 255 17 + 256 15 -10.159000 4.427000 12.566000 17 " " D L 2 "ASP " " OD1" 8 0 0 1 25.19 256 17 + 257 18 -11.793000 3.040000 12.066000 17 " " D L 2 "ASP " " OD2" 8 -1 0 1 32.03 257 17 + 258 43 -8.472000 1.695000 13.618000 17 " " D L 2 "ASP " " H " 1 0 0 1 21.98 258 17 + 259 41 -9.364000 4.059000 15.089000 17 " " D L 2 "ASP " " HA " 1 0 0 1 24.8 259 17 + 260 41 -11.664000 3.032000 14.829000 17 " " D L 2 "ASP " " HB3" 1 0 0 1 22.46 260 17 + 261 41 -10.952000 1.670000 14.055000 17 " " D L 2 "ASP " " HB2" 1 0 0 1 22.46 261 17 + 262 25 -10.513000 3.015000 17.196000 18 " " K L 2 "LYS " " N " 7 0 0 1 23.78 262 18 + 263 3 -10.840000 2.527000 18.531000 18 " " K L 2 "LYS " " CA " 6 0 0 1 25.78 263 18 + 264 2 -12.029000 1.572000 18.495000 18 " " K L 2 "LYS " " C " 6 0 0 1 25.35 264 18 + 265 15 -12.990000 1.791000 17.754000 18 " " K L 2 "LYS " " O " 8 0 0 1 24.04 265 18 + 266 3 -11.162000 3.703000 19.450000 18 " " K L 2 "LYS " " CB " 6 0 0 1 27.58 266 18 + 267 3 -11.277000 3.360000 20.932000 18 " " K L 2 "LYS " " CG " 6 0 0 1 34.78 267 18 + 268 3 -11.628000 4.614000 21.723000 18 " " K L 2 "LYS " " CD " 6 0 0 1 41.08 268 18 + 269 3 -11.434000 4.415000 23.214000 18 " " K L 2 "LYS " " CE " 6 0 0 1 48.33 269 18 + 270 32 -11.718000 5.668000 23.982000 18 " " K L 2 "LYS " " NZ " 7 1 0 1 50.27 270 18 + 271 43 -10.948000 3.876000 16.897000 18 " " K L 2 "LYS " " H " 1 0 0 1 23.78 271 18 + 272 41 -9.976000 1.996000 18.931000 18 " " K L 2 "LYS " " HA " 1 0 0 1 25.78 272 18 + 273 41 -12.085000 4.178000 19.117000 18 " " K L 2 "LYS " " HB3" 1 0 0 1 27.58 273 18 + 274 41 -10.410000 4.480000 19.317000 18 " " K L 2 "LYS " " HB2" 1 0 0 1 27.58 274 18 + 275 41 -10.327000 2.961000 21.287000 18 " " K L 2 "LYS " " HG3" 1 0 0 1 34.78 275 18 + 276 41 -12.057000 2.612000 21.072000 18 " " K L 2 "LYS " " HG2" 1 0 0 1 34.78 276 18 + 277 41 -12.664000 4.889000 21.526000 18 " " K L 2 "LYS " " HD3" 1 0 0 1 41.08 277 18 + 278 41 -11.006000 5.443000 21.384000 18 " " K L 2 "LYS " " HD2" 1 0 0 1 41.08 278 18 + 279 41 -10.410000 4.096000 23.407000 18 " " K L 2 "LYS " " HE3" 1 0 0 1 48.33 279 18 + 280 41 -12.092000 3.619000 23.562000 18 " " K L 2 "LYS " " HE2" 1 0 0 1 48.33 280 18 + 281 44 -11.974000 5.432000 24.930000 18 " " K L 2 "LYS " " HZ1" 1 0 0 1 50.27 281 18 + 282 44 -10.894000 6.251000 23.992000 18 " " K L 2 "LYS " " HZ2" 1 0 0 1 50.27 282 18 + 283 44 -12.478000 6.168000 23.543000 18 " " K L 2 "LYS " " HZ3" 1 0 0 1 50.27 283 18 + 284 25 -11.960000 0.528000 19.317000 19 " " V L 2 "VAL " " N " 7 0 2 1 22.44 284 19 + 285 3 -13.066000 -0.401000 19.490000 19 " " V L 2 "VAL " " CA " 6 0 2 1 23.5 285 19 + 286 2 -13.546000 -0.346000 20.939000 19 " " V L 2 "VAL " " C " 6 0 2 1 23.5 286 19 + 287 15 -12.752000 -0.495000 21.865000 19 " " V L 2 "VAL " " O " 8 0 2 1 22.55 287 19 + 288 3 -12.659000 -1.850000 19.129000 19 " " V L 2 "VAL " " CB " 6 0 2 1 22.14 288 19 + 289 3 -13.688000 -2.845000 19.648000 19 " " V L 2 "VAL " " CG1" 6 0 2 1 24.14 289 19 + 290 3 -12.488000 -2.011000 17.626000 19 " " V L 2 "VAL " " CG2" 6 0 2 1 23.94 290 19 + 291 43 -11.118000 0.358000 19.848000 19 " " V L 2 "VAL " " H " 1 0 2 1 22.44 291 19 + 292 41 -13.885000 -0.095000 18.839000 19 " " V L 2 "VAL " " HA " 1 0 2 1 23.5 292 19 + 293 41 -11.703000 -2.066000 19.607000 19 " " V L 2 "VAL " " HB " 1 0 2 1 22.14 293 19 + 294 41 -13.382000 -3.857000 19.383000 19 " " V L 2 "VAL " "HG11" 1 0 2 1 24.14 294 19 + 295 41 -13.761000 -2.760000 20.732000 19 " " V L 2 "VAL " "HG12" 1 0 2 1 24.14 295 19 + 296 41 -14.659000 -2.631000 19.201000 19 " " V L 2 "VAL " "HG13" 1 0 2 1 24.14 296 19 + 297 41 -12.202000 -3.038000 17.400000 19 " " V L 2 "VAL " "HG21" 1 0 2 1 23.94 297 19 + 298 41 -13.428000 -1.778000 17.126000 19 " " V L 2 "VAL " "HG22" 1 0 2 1 23.94 298 19 + 299 41 -11.711000 -1.332000 17.273000 19 " " V L 2 "VAL " "HG23" 1 0 2 1 23.94 299 19 + 300 25 -14.846000 -0.130000 21.122000 20 " " T L 2 "THR " " N " 7 0 2 1 25.47 300 20 + 301 3 -15.455000 -0.076000 22.453000 20 " " T L 2 "THR " " CA " 6 0 2 1 25.62 301 20 + 302 2 -16.632000 -1.049000 22.507000 20 " " T L 2 "THR " " C " 6 0 2 1 25.02 302 20 + 303 15 -17.617000 -0.904000 21.760000 20 " " T L 2 "THR " " O " 8 0 2 1 23.89 303 20 + 304 3 -15.925000 1.358000 22.815000 20 " " T L 2 "THR " " CB " 6 0 2 1 24.67 304 20 + 305 16 -14.816000 2.265000 22.738000 20 " " T L 2 "THR " " OG1" 8 0 2 1 29.01 305 20 + 306 3 -16.520000 1.414000 24.238000 20 " " T L 2 "THR " " CG2" 6 0 2 1 25.35 306 20 + 307 43 -15.453000 0.004000 20.326000 20 " " T L 2 "THR " " H " 1 0 2 1 25.47 307 20 + 308 41 -14.712000 -0.391000 23.186000 20 " " T L 2 "THR " " HA " 1 0 2 1 25.62 308 20 + 309 41 -16.687000 1.671000 22.101000 20 " " T L 2 "THR " " HB " 1 0 2 1 24.67 309 20 + 310 42 -14.461000 2.263000 21.846000 20 " " T L 2 "THR " " HG1" 1 0 2 1 29.01 310 20 + 311 41 -16.839000 2.433000 24.459000 20 " " T L 2 "THR " "HG21" 1 0 2 1 25.35 311 20 + 312 41 -17.377000 0.744000 24.301000 20 " " T L 2 "THR " "HG22" 1 0 2 1 25.35 312 20 + 313 41 -15.765000 1.106000 24.961000 20 " " T L 2 "THR " "HG23" 1 0 2 1 25.35 313 20 + 314 25 -16.519000 -2.037000 23.386000 21 " " I L 2 "ILE " " N " 7 0 2 1 22.54 314 21 + 315 3 -17.555000 -3.052000 23.566000 21 " " I L 2 "ILE " " CA " 6 0 2 1 22.66 315 21 + 316 2 -18.067000 -2.924000 24.999000 21 " " I L 2 "ILE " " C " 6 0 2 1 23.07 316 21 + 317 15 -17.291000 -2.689000 25.925000 21 " " I L 2 "ILE " " O " 8 0 2 1 24.44 317 21 + 318 3 -17.021000 -4.485000 23.289000 21 " " I L 2 "ILE " " CB " 6 0 2 1 23.42 318 21 + 319 3 -16.671000 -4.664000 21.808000 21 " " I L 2 "ILE " " CG1" 6 0 2 1 25.25 319 21 + 320 3 -18.045000 -5.557000 23.713000 21 " " I L 2 "ILE " " CG2" 6 0 2 1 27.1 320 21 + 321 3 -15.794000 -5.900000 21.541000 21 " " I L 2 "ILE " " CD1" 6 0 2 1 24.02 321 21 + 322 43 -15.693000 -2.108000 23.963000 21 " " I L 2 "ILE " " H " 1 0 2 1 22.54 322 21 + 323 41 -18.375000 -2.843000 22.879000 21 " " I L 2 "ILE " " HA " 1 0 2 1 22.66 323 21 + 324 41 -16.113000 -4.630000 23.874000 21 " " I L 2 "ILE " " HB " 1 0 2 1 23.42 324 21 + 325 41 -16.159000 -3.772000 21.447000 21 " " I L 2 "ILE " "HG13" 1 0 2 1 25.25 325 21 + 326 41 -17.589000 -4.739000 21.225000 21 " " I L 2 "ILE " "HG12" 1 0 2 1 25.25 326 21 + 327 41 -17.641000 -6.548000 23.506000 21 " " I L 2 "ILE " "HG21" 1 0 2 1 27.1 327 21 + 328 41 -18.249000 -5.464000 24.780000 21 " " I L 2 "ILE " "HG22" 1 0 2 1 27.1 328 21 + 329 41 -18.970000 -5.418000 23.153000 21 " " I L 2 "ILE " "HG23" 1 0 2 1 27.1 329 21 + 330 41 -15.581000 -5.971000 20.474000 21 " " I L 2 "ILE " "HD11" 1 0 2 1 24.02 330 21 + 331 41 -14.858000 -5.808000 22.093000 21 " " I L 2 "ILE " "HD12" 1 0 2 1 24.02 331 21 + 332 41 -16.321000 -6.797000 21.867000 21 " " I L 2 "ILE " "HD13" 1 0 2 1 24.02 332 21 + 333 25 -19.380000 -3.053000 25.156000 22 " " T L 2 "THR " " N " 7 0 2 1 23.63 333 22 + 334 3 -20.042000 -2.931000 26.446000 22 " " T L 2 "THR " " CA " 6 0 2 1 24.9 334 22 + 335 2 -20.688000 -4.247000 26.853000 22 " " T L 2 "THR " " C " 6 0 2 1 28.05 335 22 + 336 15 -21.290000 -4.947000 26.039000 22 " " T L 2 "THR " " O " 8 0 2 1 24.27 336 22 + 337 3 -21.105000 -1.810000 26.406000 22 " " T L 2 "THR " " CB " 6 0 2 1 25.32 337 22 + 338 16 -20.464000 -0.587000 26.044000 22 " " T L 2 "THR " " OG1" 8 0 2 1 26.26 338 22 + 339 3 -21.803000 -1.640000 27.767000 22 " " T L 2 "THR " " CG2" 6 0 2 1 26.07 339 22 + 340 43 -19.968000 -3.245000 24.357000 22 " " T L 2 "THR " " H " 1 0 2 1 23.63 340 22 + 341 41 -19.293000 -2.669000 27.194000 22 " " T L 2 "THR " " HA " 1 0 2 1 24.9 341 22 + 342 41 -21.852000 -2.056000 25.652000 22 " " T L 2 "THR " " HB " 1 0 2 1 25.32 342 22 + 343 42 -20.057000 -0.682000 25.180000 22 " " T L 2 "THR " " HG1" 1 0 2 1 26.26 343 22 + 344 41 -22.543000 -0.843000 27.699000 22 " " T L 2 "THR " "HG21" 1 0 2 1 26.07 344 22 + 345 41 -22.297000 -2.572000 28.041000 22 " " T L 2 "THR " "HG22" 1 0 2 1 26.07 345 22 + 346 41 -21.063000 -1.385000 28.526000 22 " " T L 2 "THR " "HG23" 1 0 2 1 26.07 346 22 + 347 25 -20.536000 -4.582000 28.126000 23 " " C L 2 "CYS " " N " 7 0 2 1 28.29 347 23 + 348 3 -21.180000 -5.748000 28.689000 23 " " C L 2 "CYS " " CA " 6 0 2 1 25.73 348 23 + 349 2 -21.947000 -5.287000 29.929000 23 " " C L 2 "CYS " " C " 6 0 2 1 25.36 349 23 + 350 15 -21.394000 -4.619000 30.802000 23 " " C L 2 "CYS " " O " 8 0 2 1 25.78 350 23 + 351 3 -20.129000 -6.825000 28.990000 23 " " C L 2 "CYS " " CB " 6 0 2 1 31.35 351 23 + 352 49 -20.760000 -8.326000 29.709000 23 " " C L 2 "CYS " " SG " 16 0 2 1 40.06 352 23 + 353 43 -19.958000 -4.017000 28.731000 23 " " C L 2 "CYS " " H " 1 0 2 1 28.29 353 23 + 354 41 -21.890000 -6.143000 27.963000 23 " " C L 2 "CYS " " HA " 1 0 2 1 25.73 354 23 + 355 41 -19.362000 -6.408000 29.643000 23 " " C L 2 "CYS " " HB3" 1 0 2 1 31.35 355 23 + 356 41 -19.586000 -7.064000 28.076000 23 " " C L 2 "CYS " " HB2" 1 0 2 1 31.35 356 23 + 357 25 -23.235000 -5.606000 29.969000 24 " " K L 2 "LYS " " N " 7 0 2 1 24.07 357 24 + 358 3 -24.096000 -5.243000 31.093000 24 " " K L 2 "LYS " " CA " 6 0 2 1 28.33 358 24 + 359 2 -24.712000 -6.471000 31.764000 24 " " K L 2 "LYS " " C " 6 0 2 1 28.49 359 24 + 360 15 -25.368000 -7.288000 31.113000 24 " " K L 2 "LYS " " O " 8 0 2 1 27.75 360 24 + 361 3 -25.185000 -4.259000 30.654000 24 " " K L 2 "LYS " " CB " 6 0 2 1 29.67 361 24 + 362 3 -24.664000 -2.851000 30.377000 24 " " K L 2 "LYS " " CG " 6 0 2 1 31.21 362 24 + 363 3 -25.791000 -1.918000 29.987000 24 " " K L 2 "LYS " " CD " 6 0 2 1 36.38 363 24 + 364 3 -25.266000 -0.543000 29.623000 24 " " K L 2 "LYS " " CE " 6 0 2 1 37.01 364 24 + 365 32 -26.397000 0.406000 29.405000 24 " " K L 2 "LYS " " NZ " 7 1 2 1 39.59 365 24 + 366 43 -23.653000 -6.118000 29.205000 24 " " K L 2 "LYS " " H " 1 0 2 1 24.07 366 24 + 367 41 -23.476000 -4.739000 31.834000 24 " " K L 2 "LYS " " HA " 1 0 2 1 28.33 367 24 + 368 41 -25.961000 -4.214000 31.418000 24 " " K L 2 "LYS " " HB3" 1 0 2 1 29.67 368 24 + 369 41 -25.681000 -4.643000 29.763000 24 " " K L 2 "LYS " " HB2" 1 0 2 1 29.67 369 24 + 370 41 -23.929000 -2.888000 29.573000 24 " " K L 2 "LYS " " HG3" 1 0 2 1 31.21 370 24 + 371 41 -24.166000 -2.467000 31.267000 24 " " K L 2 "LYS " " HG2" 1 0 2 1 31.21 371 24 + 372 41 -26.493000 -1.831000 30.816000 24 " " K L 2 "LYS " " HD3" 1 0 2 1 36.38 372 24 + 373 41 -26.331000 -2.337000 29.138000 24 " " K L 2 "LYS " " HD2" 1 0 2 1 36.38 373 24 + 374 41 -24.669000 -0.611000 28.714000 24 " " K L 2 "LYS " " HE3" 1 0 2 1 37.01 374 24 + 375 41 -24.631000 -0.172000 30.428000 24 " " K L 2 "LYS " " HE2" 1 0 2 1 37.01 375 24 + 376 44 -26.945000 0.477000 30.250000 24 " " K L 2 "LYS " " HZ1" 1 0 2 1 39.59 376 24 + 377 44 -26.032000 1.316000 29.164000 24 " " K L 2 "LYS " " HZ2" 1 0 2 1 39.59 377 24 + 378 44 -26.981000 0.068000 28.653000 24 " " K L 2 "LYS " " HZ3" 1 0 2 1 39.59 378 24 + 379 25 -24.485000 -6.591000 33.070000 25 " " A L 2 "ALA " " N " 7 0 2 1 24.81 379 25 + 380 3 -25.041000 -7.678000 33.864000 25 " " A L 2 "ALA " " CA " 6 0 2 1 22.29 380 25 + 381 2 -26.427000 -7.304000 34.423000 25 " " A L 2 "ALA " " C " 6 0 2 1 21.75 381 25 + 382 15 -26.674000 -6.153000 34.803000 25 " " A L 2 "ALA " " O " 8 0 2 1 23.47 382 25 + 383 3 -24.092000 -8.037000 34.977000 25 " " A L 2 "ALA " " CB " 6 0 2 1 22.88 383 25 + 384 43 -23.908000 -5.913000 33.547000 25 " " A L 2 "ALA " " H " 1 0 2 1 24.81 384 25 + 385 41 -25.156000 -8.549000 33.219000 25 " " A L 2 "ALA " " HA " 1 0 2 1 22.29 385 25 + 386 41 -24.514000 -8.851000 35.567000 25 " " A L 2 "ALA " " HB1" 1 0 2 1 22.88 386 25 + 387 41 -23.138000 -8.352000 34.554000 25 " " A L 2 "ALA " " HB2" 1 0 2 1 22.88 387 25 + 388 41 -23.936000 -7.168000 35.617000 25 " " A L 2 "ALA " " HB3" 1 0 2 1 22.88 388 25 + 389 25 -27.326000 -8.285000 34.447000 26 " " S L 2 "SER " " N " 7 0 0 1 21.21 389 26 + 390 3 -28.688000 -8.106000 34.964000 26 " " S L 2 "SER " " CA " 6 0 0 1 23.24 390 26 + 391 2 -28.739000 -7.877000 36.479000 26 " " S L 2 "SER " " C " 6 0 0 1 23.67 391 26 + 392 15 -29.754000 -7.424000 37.025000 26 " " S L 2 "SER " " O " 8 0 0 1 22.75 392 26 + 393 3 -29.565000 -9.298000 34.570000 26 " " S L 2 "SER " " CB " 6 0 0 1 25.03 393 26 + 394 16 -29.085000 -10.508000 35.133000 26 " " S L 2 "SER " " OG " 8 0 0 1 24.37 394 26 + 395 43 -27.083000 -9.202000 34.099000 26 " " S L 2 "SER " " H " 1 0 0 1 21.21 395 26 + 396 41 -29.106000 -7.220000 34.485000 26 " " S L 2 "SER " " HA " 1 0 0 1 23.24 396 26 + 397 41 -29.589000 -9.388000 33.484000 26 " " S L 2 "SER " " HB3" 1 0 0 1 25.03 397 26 + 398 41 -30.587000 -9.123000 34.905000 26 " " S L 2 "SER " " HB2" 1 0 0 1 25.03 398 26 + 399 42 -29.494000 -10.647000 35.991000 26 " " S L 2 "SER " " HG " 1 0 0 1 24.37 399 26 + 400 25 -27.651000 -8.214000 37.164000 27 " " Q L 2 "GLN " " N " 7 0 0 1 21.75 400 27 + 401 3 -27.490000 -7.880000 38.567000 27 " " Q L 2 "GLN " " CA " 6 0 0 1 26.04 401 27 + 402 2 -26.000000 -7.772000 38.833000 27 " " Q L 2 "GLN " " C " 6 0 0 1 24.82 402 27 + 403 15 -25.199000 -8.192000 38.005000 27 " " Q L 2 "GLN " " O " 8 0 0 1 21.22 403 27 + 404 3 -28.147000 -8.934000 39.461000 27 " " Q L 2 "GLN " " CB " 6 0 0 1 29.41 404 27 + 405 3 -27.493000 -10.299000 39.395000 27 " " Q L 2 "GLN " " CG " 6 0 0 1 31.49 405 27 + 406 2 -28.210000 -11.320000 40.235000 27 " " Q L 2 "GLN " " CD " 6 0 0 1 33.46 406 27 + 407 15 -29.250000 -11.849000 39.840000 27 " " Q L 2 "GLN " " OE1" 8 0 0 1 35.78 407 27 + 408 25 -27.651000 -11.615000 41.403000 27 " " Q L 2 "GLN " " NE2" 7 0 0 1 33.32 408 27 + 409 43 -26.904000 -8.718000 36.709000 27 " " Q L 2 "GLN " " H " 1 0 0 1 21.75 409 27 + 410 41 -27.956000 -6.913000 38.757000 27 " " Q L 2 "GLN " " HA " 1 0 0 1 26.04 410 27 + 411 41 -29.201000 -9.025000 39.197000 27 " " Q L 2 "GLN " " HB3" 1 0 0 1 29.41 411 27 + 412 41 -28.147000 -8.583000 40.493000 27 " " Q L 2 "GLN " " HB2" 1 0 0 1 29.41 412 27 + 413 41 -26.457000 -10.221000 39.725000 27 " " Q L 2 "GLN " " HG3" 1 0 0 1 31.49 413 27 + 414 41 -27.464000 -10.637000 38.359000 27 " " Q L 2 "GLN " " HG2" 1 0 0 1 31.49 414 27 + 415 43 -28.084000 -12.293000 42.013000 27 " " Q L 2 "GLN " "HE22" 1 0 0 1 33.32 415 27 + 416 43 -26.793000 -11.161000 41.681000 27 " " Q L 2 "GLN " "HE21" 1 0 0 1 33.32 416 27 + 417 25 -25.633000 -7.203000 39.977000 28 " " S L 2 "SER " " N " 7 0 0 1 24.6 417 28 + 418 3 -24.236000 -6.927000 40.256000 28 " " S L 2 "SER " " CA " 6 0 0 1 23.87 418 28 + 419 2 -23.399000 -8.198000 40.159000 28 " " S L 2 "SER " " C " 6 0 0 1 22.69 419 28 + 420 15 -23.776000 -9.248000 40.685000 28 " " S L 2 "SER " " O " 8 0 0 1 22.79 420 28 + 421 3 -24.050000 -6.300000 41.628000 28 " " S L 2 "SER " " CB " 6 0 0 1 25.84 421 28 + 422 16 -22.684000 -5.989000 41.808000 28 " " S L 2 "SER " " OG " 8 0 0 1 23.34 422 28 + 423 43 -26.330000 -6.957000 40.665000 28 " " S L 2 "SER " " H " 1 0 0 1 24.6 423 28 + 424 41 -23.873000 -6.222000 39.508000 28 " " S L 2 "SER " " HA " 1 0 0 1 23.87 424 28 + 425 41 -24.366000 -7.006000 42.396000 28 " " S L 2 "SER " " HB3" 1 0 0 1 25.84 425 28 + 426 41 -24.642000 -5.387000 41.693000 28 " " S L 2 "SER " " HB2" 1 0 0 1 25.84 426 28 + 427 42 -22.404000 -5.371000 41.129000 28 " " S L 2 "SER " " HG " 1 0 0 1 23.34 427 28 + 428 25 -22.275000 -8.095000 39.463000 29 " " V L 2 "VAL " " N " 7 0 0 1 19.8 428 29 + 429 3 -21.303000 -9.195000 39.469000 29 " " V L 2 "VAL " " CA " 6 0 0 1 19.16 429 29 + 430 2 -19.950000 -8.780000 40.065000 29 " " V L 2 "VAL " " C " 6 0 0 1 19.97 430 29 + 431 15 -18.925000 -9.403000 39.767000 29 " " V L 2 "VAL " " O " 8 0 0 1 20.92 431 29 + 432 3 -21.125000 -9.866000 38.075000 29 " " V L 2 "VAL " " CB " 6 0 0 1 22.57 432 29 + 433 3 -22.450000 -10.491000 37.593000 29 " " V L 2 "VAL " " CG1" 6 0 0 1 21.26 433 29 + 434 3 -20.515000 -8.897000 37.040000 29 " " V L 2 "VAL " " CG2" 6 0 0 1 17.31 434 29 + 435 43 -22.087000 -7.259000 38.928000 29 " " V L 2 "VAL " " H " 1 0 0 1 19.8 435 29 + 436 41 -21.709000 -9.961000 40.130000 29 " " V L 2 "VAL " " HA " 1 0 0 1 19.16 436 29 + 437 41 -20.415000 -10.683000 38.203000 29 " " V L 2 "VAL " " HB " 1 0 0 1 22.57 437 29 + 438 41 -22.300000 -10.954000 36.617000 29 " " V L 2 "VAL " "HG11" 1 0 0 1 21.26 438 29 + 439 41 -22.776000 -11.247000 38.307000 29 " " V L 2 "VAL " "HG12" 1 0 0 1 21.26 439 29 + 440 41 -23.211000 -9.715000 37.514000 29 " " V L 2 "VAL " "HG13" 1 0 0 1 21.26 440 29 + 441 41 -20.409000 -9.407000 36.083000 29 " " V L 2 "VAL " "HG21" 1 0 0 1 17.31 441 29 + 442 41 -21.169000 -8.033000 36.920000 29 " " V L 2 "VAL " "HG22" 1 0 0 1 17.31 442 29 + 443 41 -19.536000 -8.565000 37.385000 29 " " V L 2 "VAL " "HG23" 1 0 0 1 17.31 443 29 + 444 25 -19.968000 -7.746000 40.913000 30 " " S L 2 "SER " " N " 7 0 0 1 17.49 444 30 + 445 3 -18.754000 -7.189000 41.525000 30 " " S L 2 "SER " " CA " 6 0 0 1 16.63 445 30 + 446 2 -17.729000 -6.936000 40.415000 30 " " S L 2 "SER " " C " 6 0 0 1 20.7 446 30 + 447 15 -18.041000 -6.286000 39.411000 30 " " S L 2 "SER " " O " 8 0 0 1 19.49 447 30 + 448 3 -18.225000 -8.161000 42.612000 30 " " S L 2 "SER " " CB " 6 0 0 1 17.89 448 30 + 449 16 -17.167000 -7.596000 43.373000 30 " " S L 2 "SER " " OG " 8 0 0 1 19.37 449 30 + 450 43 -20.845000 -7.311000 41.160000 30 " " S L 2 "SER " " H " 1 0 0 1 17.49 450 30 + 451 41 -19.003000 -6.238000 41.996000 30 " " S L 2 "SER " " HA " 1 0 0 1 16.63 451 30 + 452 41 -17.880000 -9.081000 42.139000 30 " " S L 2 "SER " " HB3" 1 0 0 1 17.89 452 30 + 453 41 -19.042000 -8.439000 43.278000 30 " " S L 2 "SER " " HB2" 1 0 0 1 17.89 453 30 + 454 42 -17.181000 -7.960000 44.261000 30 " " S L 2 "SER " " HG " 1 0 0 1 19.37 454 30 + 455 25 -16.530000 -7.489000 40.560000 31 " " N L 2 "ASN " " N " 7 0 0 1 20.14 455 31 + 456 3 -15.540000 -7.400000 39.510000 31 " " N L 2 "ASN " " CA " 6 0 0 1 19.17 456 31 + 457 2 -15.267000 -8.743000 38.812000 31 " " N L 2 "ASN " " C " 6 0 0 1 21.87 457 31 + 458 15 -14.262000 -8.887000 38.123000 31 " " N L 2 "ASN " " O " 8 0 0 1 24.31 458 31 + 459 3 -14.254000 -6.741000 40.038000 31 " " N L 2 "ASN " " CB " 6 0 0 1 20.78 459 31 + 460 2 -13.574000 -7.558000 41.132000 31 " " N L 2 "ASN " " CG " 6 0 0 1 22.93 460 31 + 461 15 -14.201000 -8.396000 41.792000 31 " " N L 2 "ASN " " OD1" 8 0 0 1 21.49 461 31 + 462 25 -12.281000 -7.322000 41.322000 31 " " N L 2 "ASN " " ND2" 7 0 0 1 23.53 462 31 + 463 43 -16.300000 -7.980000 41.412000 31 " " N L 2 "ASN " " H " 1 0 0 1 20.14 463 31 + 464 41 -15.947000 -6.730000 38.752000 31 " " N L 2 "ASN " " HA " 1 0 0 1 19.17 464 31 + 465 41 -14.487000 -5.747000 40.420000 31 " " N L 2 "ASN " " HB3" 1 0 0 1 20.78 465 31 + 466 41 -13.558000 -6.592000 39.212000 31 " " N L 2 "ASN " " HB2" 1 0 0 1 20.78 466 31 + 467 43 -11.774000 -7.831000 42.032000 31 " " N L 2 "ASN " "HD22" 1 0 0 1 23.53 467 31 + 468 43 -11.805000 -6.634000 40.757000 31 " " N L 2 "ASN " "HD21" 1 0 0 1 23.53 468 31 + 469 25 -16.171000 -9.716000 38.982000 32 " " D L 2 "ASP " " N " 7 0 0 1 20.76 469 32 + 470 3 -15.960000 -11.071000 38.452000 32 " " D L 2 "ASP " " CA " 6 0 0 1 21.33 470 32 + 471 2 -16.323000 -11.157000 36.981000 32 " " D L 2 "ASP " " C " 6 0 0 1 22.48 471 32 + 472 15 -17.269000 -11.844000 36.598000 32 " " D L 2 "ASP " " O " 8 0 0 1 20.67 472 32 + 473 3 -16.756000 -12.094000 39.254000 32 " " D L 2 "ASP " " CB " 6 0 0 1 23.95 473 32 + 474 2 -16.141000 -12.377000 40.615000 32 " " D L 2 "ASP " " CG " 6 0 0 1 22.22 474 32 + 475 15 -14.906000 -12.192000 40.785000 32 " " D L 2 "ASP " " OD1" 8 0 0 1 21.94 475 32 + 476 18 -16.893000 -12.801000 41.508000 32 " " D L 2 "ASP " " OD2" 8 -1 0 1 22.75 476 32 + 477 43 -17.026000 -9.529000 39.486000 32 " " D L 2 "ASP " " H " 1 0 0 1 20.76 477 32 + 478 41 -14.902000 -11.312000 38.553000 32 " " D L 2 "ASP " " HA " 1 0 0 1 21.33 478 32 + 479 41 -16.826000 -13.023000 38.688000 32 " " D L 2 "ASP " " HB3" 1 0 0 1 23.95 479 32 + 480 41 -17.777000 -11.736000 39.385000 32 " " D L 2 "ASP " " HB2" 1 0 0 1 23.95 480 32 + 481 25 -15.579000 -10.426000 36.169000 33 " " L L 2 "LEU " " N " 7 0 2 1 20.04 481 33 + 482 3 -15.890000 -10.319000 34.763000 33 " " L L 2 "LEU " " CA " 6 0 2 1 20.33 482 33 + 483 2 -14.640000 -10.530000 33.932000 33 " " L L 2 "LEU " " C " 6 0 2 1 21.97 483 33 + 484 15 -13.598000 -9.915000 34.173000 33 " " L L 2 "LEU " " O " 8 0 2 1 19.45 484 33 + 485 3 -16.577000 -8.979000 34.448000 33 " " L L 2 "LEU " " CB " 6 0 2 1 23.52 485 33 + 486 3 -17.238000 -9.017000 33.066000 33 " " L L 2 "LEU " " CG " 6 0 2 1 24.78 486 33 + 487 3 -18.645000 -8.528000 33.062000 33 " " L L 2 "LEU " " CD1" 6 0 2 1 33.76 487 33 + 488 3 -16.380000 -8.345000 32.018000 33 " " L L 2 "LEU " " CD2" 6 0 2 1 24.46 488 33 + 489 43 -14.776000 -9.930000 36.529000 33 " " L L 2 "LEU " " H " 1 0 2 1 20.04 489 33 + 490 41 -16.591000 -11.117000 34.517000 33 " " L L 2 "LEU " " HA " 1 0 2 1 20.33 490 33 + 491 41 -15.839000 -8.177000 34.475000 33 " " L L 2 "LEU " " HB3" 1 0 2 1 23.52 491 33 + 492 41 -17.332000 -8.771000 35.206000 33 " " L L 2 "LEU " " HB2" 1 0 2 1 23.52 492 33 + 493 41 -17.285000 -10.069000 32.785000 33 " " L L 2 "LEU " " HG " 1 0 2 1 24.78 493 33 + 494 41 -19.047000 -8.584000 32.050000 33 " " L L 2 "LEU " "HD11" 1 0 2 1 33.76 494 33 + 495 41 -19.247000 -9.147000 33.727000 33 " " L L 2 "LEU " "HD12" 1 0 2 1 33.76 495 33 + 496 41 -18.672000 -7.494000 33.406000 33 " " L L 2 "LEU " "HD13" 1 0 2 1 33.76 496 33 + 497 41 -16.882000 -8.392000 31.052000 33 " " L L 2 "LEU " "HD21" 1 0 2 1 24.46 497 33 + 498 41 -16.219000 -7.303000 32.293000 33 " " L L 2 "LEU " "HD22" 1 0 2 1 24.46 498 33 + 499 41 -15.419000 -8.855000 31.953000 33 " " L L 2 "LEU " "HD23" 1 0 2 1 24.46 499 33 + 500 25 -14.778000 -11.410000 32.942000 34 " " T L 2 "THR " " N " 7 0 2 1 19.39 500 34 + 501 3 -13.680000 -11.872000 32.123000 34 " " T L 2 "THR " " CA " 6 0 2 1 19.32 501 34 + 502 2 -14.020000 -11.550000 30.675000 34 " " T L 2 "THR " " C " 6 0 2 1 17.11 502 34 + 503 15 -15.186000 -11.627000 30.280000 34 " " T L 2 "THR " " O " 8 0 2 1 20.33 503 34 + 504 3 -13.520000 -13.406000 32.281000 34 " " T L 2 "THR " " CB " 6 0 2 1 20.58 504 34 + 505 16 -13.315000 -13.730000 33.666000 34 " " T L 2 "THR " " OG1" 8 0 2 1 19.86 505 34 + 506 3 -12.351000 -13.934000 31.478000 34 " " T L 2 "THR " " CG2" 6 0 2 1 22.31 506 34 + 507 43 -15.688000 -11.792000 32.729000 34 " " T L 2 "THR " " H " 1 0 2 1 19.39 507 34 + 508 41 -12.758000 -11.367000 32.413000 34 " " T L 2 "THR " " HA " 1 0 2 1 19.32 508 34 + 509 41 -14.432000 -13.893000 31.937000 34 " " T L 2 "THR " " HB " 1 0 2 1 20.58 509 34 + 510 42 -14.070000 -13.434000 34.180000 34 " " T L 2 "THR " " HG1" 1 0 2 1 19.86 510 34 + 511 41 -12.273000 -15.012000 31.615000 34 " " T L 2 "THR " "HG21" 1 0 2 1 22.31 511 34 + 512 41 -12.506000 -13.713000 30.422000 34 " " T L 2 "THR " "HG22" 1 0 2 1 22.31 512 34 + 513 41 -11.431000 -13.457000 31.818000 34 " " T L 2 "THR " "HG23" 1 0 2 1 22.31 513 34 + 514 25 -13.008000 -11.160000 29.908000 35 " " W L 2 "TRP " " N " 7 0 2 1 15.81 514 35 + 515 3 -13.161000 -10.959000 28.467000 35 " " W L 2 "TRP " " CA " 6 0 2 1 16.83 515 35 + 516 2 -12.275000 -11.947000 27.711000 35 " " W L 2 "TRP " " C " 6 0 2 1 19.35 516 35 + 517 15 -11.084000 -12.078000 28.016000 35 " " W L 2 "TRP " " O " 8 0 2 1 21.62 517 35 + 518 3 -12.760000 -9.538000 28.076000 35 " " W L 2 "TRP " " CB " 6 0 2 1 18.18 518 35 + 519 2 -13.680000 -8.459000 28.583000 35 " " W L 2 "TRP " " CG " 6 0 2 1 16.9 519 35 + 520 2 -13.539000 -7.718000 29.719000 35 " " W L 2 "TRP " " CD1" 6 0 2 1 20.11 520 35 + 521 2 -14.875000 -8.005000 27.946000 35 " " W L 2 "TRP " " CD2" 6 0 2 1 21.34 521 35 + 522 25 -14.575000 -6.815000 29.828000 35 " " W L 2 "TRP " " NE1" 7 0 2 1 22.69 522 35 + 523 2 -15.414000 -6.977000 28.753000 35 " " W L 2 "TRP " " CE2" 6 0 2 1 20.83 523 35 + 524 2 -15.531000 -8.352000 26.754000 35 " " W L 2 "TRP " " CE3" 6 0 2 1 23.64 524 35 + 525 2 -16.590000 -6.295000 28.412000 35 " " W L 2 "TRP " " CZ2" 6 0 2 1 22.58 525 35 + 526 2 -16.712000 -7.675000 26.413000 35 " " W L 2 "TRP " " CZ3" 6 0 2 1 20.44 526 35 + 527 2 -17.217000 -6.649000 27.239000 35 " " W L 2 "TRP " " CH2" 6 0 2 1 19.34 527 35 + 528 43 -12.100000 -10.993000 30.317000 35 " " W L 2 "TRP " " H " 1 0 2 1 15.81 528 35 + 529 41 -14.202000 -11.127000 28.190000 35 " " W L 2 "TRP " " HA " 1 0 2 1 16.83 529 35 + 530 41 -12.687000 -9.469000 26.991000 35 " " W L 2 "TRP " " HB3" 1 0 2 1 18.18 530 35 + 531 41 -11.746000 -9.341000 28.424000 35 " " W L 2 "TRP " " HB2" 1 0 2 1 18.18 531 35 + 532 41 -12.699000 -7.891000 30.376000 35 " " W L 2 "TRP " " HD1" 1 0 2 1 20.11 532 35 + 533 43 -14.612000 -6.182000 30.614000 35 " " W L 2 "TRP " " HE1" 1 0 2 1 22.69 533 35 + 534 41 -15.125000 -9.126000 26.120000 35 " " W L 2 "TRP " " HE3" 1 0 2 1 23.64 534 35 + 535 41 -16.974000 -5.522000 29.061000 35 " " W L 2 "TRP " " HZ2" 1 0 2 1 22.58 535 35 + 536 41 -17.244000 -7.938000 25.510000 35 " " W L 2 "TRP " " HZ3" 1 0 2 1 20.44 536 35 + 537 41 -18.117000 -6.137000 26.932000 35 " " W L 2 "TRP " " HH2" 1 0 2 1 19.34 537 35 + 538 25 -12.868000 -12.602000 26.713000 36 " " Y L 2 "TYR " " N " 7 0 2 1 19.74 538 36 + 539 3 -12.184000 -13.545000 25.832000 36 " " Y L 2 "TYR " " CA " 6 0 2 1 19.42 539 36 + 540 2 -12.257000 -13.079000 24.389000 36 " " Y L 2 "TYR " " C " 6 0 2 1 19.74 540 36 + 541 15 -13.193000 -12.375000 23.996000 36 " " Y L 2 "TYR " " O " 8 0 2 1 19.91 541 36 + 542 3 -12.860000 -14.918000 25.850000 36 " " Y L 2 "TYR " " CB " 6 0 2 1 18.29 542 36 + 543 2 -12.920000 -15.609000 27.181000 36 " " Y L 2 "TYR " " CG " 6 0 2 1 20.74 543 36 + 544 2 -14.055000 -15.501000 27.990000 36 " " Y L 2 "TYR " " CD1" 6 0 2 1 19.25 544 36 + 545 2 -11.871000 -16.413000 27.608000 36 " " Y L 2 "TYR " " CD2" 6 0 2 1 20.08 545 36 + 546 2 -14.125000 -16.159000 29.196000 36 " " Y L 2 "TYR " " CE1" 6 0 2 1 20.82 546 36 + 547 2 -11.934000 -17.081000 28.820000 36 " " Y L 2 "TYR " " CE2" 6 0 2 1 20.03 547 36 + 548 2 -13.056000 -16.947000 29.608000 36 " " Y L 2 "TYR " " CZ " 6 0 2 1 21.27 548 36 + 549 16 -13.113000 -17.610000 30.821000 36 " " Y L 2 "TYR " " OH " 8 0 2 1 19.72 549 36 + 550 43 -13.851000 -12.459000 26.529000 36 " " Y L 2 "TYR " " H " 1 0 2 1 19.74 550 36 + 551 41 -11.142000 -13.643000 26.135000 36 " " Y L 2 "TYR " " HA " 1 0 2 1 19.42 551 36 + 552 41 -12.368000 -15.570000 25.128000 36 " " Y L 2 "TYR " " HB3" 1 0 2 1 18.29 552 36 + 553 41 -13.868000 -14.827000 25.446000 36 " " Y L 2 "TYR " " HB2" 1 0 2 1 18.29 553 36 + 554 41 -14.890000 -14.896000 27.670000 36 " " Y L 2 "TYR " " HD1" 1 0 2 1 19.25 554 36 + 555 41 -10.991000 -16.524000 26.992000 36 " " Y L 2 "TYR " " HD2" 1 0 2 1 20.08 555 36 + 556 41 -15.005000 -16.061000 29.814000 36 " " Y L 2 "TYR " " HE1" 1 0 2 1 20.82 556 36 + 557 41 -11.108000 -17.700000 29.139000 36 " " Y L 2 "TYR " " HE2" 1 0 2 1 20.03 557 36 + 558 42 -13.990000 -17.511000 31.199000 36 " " Y L 2 "TYR " " HH " 1 0 2 1 19.72 558 36 + 559 25 -11.252000 -13.486000 23.623000 37 " " Q L 2 "GLN " " N " 7 0 2 1 20.31 559 37 + 560 3 -11.125000 -13.210000 22.202000 37 " " Q L 2 "GLN " " CA " 6 0 2 1 17.56 560 37 + 561 2 -11.176000 -14.550000 21.491000 37 " " Q L 2 "GLN " " C " 6 0 2 1 20.53 561 37 + 562 15 -10.401000 -15.453000 21.817000 37 " " Q L 2 "GLN " " O " 8 0 2 1 22.4 562 37 + 563 3 -9.766000 -12.589000 21.909000 37 " " Q L 2 "GLN " " CB " 6 0 2 1 16.33 563 37 + 564 3 -9.511000 -12.276000 20.402000 37 " " Q L 2 "GLN " " CG " 6 0 2 1 16.33 564 37 + 565 2 -8.050000 -11.863000 20.209000 37 " " Q L 2 "GLN " " CD " 6 0 2 1 23.13 565 37 + 566 15 -7.125000 -12.611000 20.568000 37 " " Q L 2 "GLN " " OE1" 8 0 2 1 23 566 37 + 567 25 -7.840000 -10.662000 19.688000 37 " " Q L 2 "GLN " " NE2" 7 0 2 1 21.34 567 37 + 568 43 -10.501000 -14.030000 24.022000 37 " " Q L 2 "GLN " " H " 1 0 2 1 20.31 568 37 + 569 41 -11.930000 -12.559000 21.860000 37 " " Q L 2 "GLN " " HA " 1 0 2 1 17.56 569 37 + 570 41 -8.981000 -13.248000 22.279000 37 " " Q L 2 "GLN " " HB3" 1 0 2 1 16.33 570 37 + 571 41 -9.654000 -11.675000 22.492000 37 " " Q L 2 "GLN " " HB2" 1 0 2 1 16.33 571 37 + 572 41 -10.163000 -11.462000 20.085000 37 " " Q L 2 "GLN " " HG3" 1 0 2 1 16.33 572 37 + 573 41 -9.719000 -13.165000 19.806000 37 " " Q L 2 "GLN " " HG2" 1 0 2 1 16.33 573 37 + 574 43 -6.896000 -10.335000 19.537000 37 " " Q L 2 "GLN " "HE22" 1 0 2 1 21.34 574 37 + 575 43 -8.624000 -10.074000 19.442000 37 " " Q L 2 "GLN " "HE21" 1 0 2 1 21.34 575 37 + 576 25 -12.045000 -14.679000 20.495000 38 " " Q L 2 "GLN " " N " 7 0 2 1 21.64 576 38 + 577 3 -12.083000 -15.918000 19.719000 38 " " Q L 2 "GLN " " CA " 6 0 2 1 19.51 577 38 + 578 2 -11.897000 -15.634000 18.227000 38 " " Q L 2 "GLN " " C " 6 0 2 1 20.26 578 38 + 579 15 -12.821000 -15.155000 17.564000 38 " " Q L 2 "GLN " " O " 8 0 2 1 19.1 579 38 + 580 3 -13.407000 -16.661000 19.935000 38 " " Q L 2 "GLN " " CB " 6 0 2 1 22.08 580 38 + 581 3 -13.469000 -18.004000 19.158000 38 " " Q L 2 "GLN " " CG " 6 0 2 1 23.65 581 38 + 582 2 -14.690000 -18.830000 19.544000 38 " " Q L 2 "GLN " " CD " 6 0 2 1 24.24 582 38 + 583 15 -15.774000 -18.289000 19.767000 38 " " Q L 2 "GLN " " OE1" 8 0 2 1 28.47 583 38 + 584 25 -14.506000 -20.137000 19.659000 38 " " Q L 2 "GLN " " NE2" 7 0 2 1 24.31 584 38 + 585 43 -12.677000 -13.923000 20.275000 38 " " Q L 2 "GLN " " H " 1 0 2 1 21.64 585 38 + 586 41 -11.268000 -16.560000 20.053000 38 " " Q L 2 "GLN " " HA " 1 0 2 1 19.51 586 38 + 587 41 -14.235000 -16.024000 19.624000 38 " " Q L 2 "GLN " " HB3" 1 0 2 1 22.08 587 38 + 588 41 -13.546000 -16.851000 20.999000 38 " " Q L 2 "GLN " " HB2" 1 0 2 1 22.08 588 38 + 589 41 -12.565000 -18.579000 19.356000 38 " " Q L 2 "GLN " " HG3" 1 0 2 1 23.65 589 38 + 590 41 -13.491000 -17.803000 18.087000 38 " " Q L 2 "GLN " " HG2" 1 0 2 1 23.65 590 38 + 591 43 -15.279000 -20.735000 19.913000 38 " " Q L 2 "GLN " "HE22" 1 0 2 1 24.31 591 38 + 592 43 -13.593000 -20.535000 19.493000 38 " " Q L 2 "GLN " "HE21" 1 0 2 1 24.31 592 38 + 593 25 -10.704000 -15.949000 17.728000 39 " " K L 2 "LYS " " N " 7 0 0 1 21.7 593 39 + 594 3 -10.345000 -15.751000 16.322000 39 " " K L 2 "LYS " " CA " 6 0 0 1 22 594 39 + 595 2 -10.955000 -16.886000 15.502000 39 " " K L 2 "LYS " " C " 6 0 0 1 23.1 595 39 + 596 15 -11.240000 -17.955000 16.050000 39 " " K L 2 "LYS " " O " 8 0 0 1 26.96 596 39 + 597 3 -8.822000 -15.668000 16.160000 39 " " K L 2 "LYS " " CB " 6 0 0 1 21.51 597 39 + 598 3 -8.191000 -14.482000 16.935000 39 " " K L 2 "LYS " " CG " 6 0 0 1 23.8 598 39 + 599 3 -6.753000 -14.245000 16.538000 39 " " K L 2 "LYS " " CD " 6 0 0 1 24.16 599 39 + 600 3 -6.184000 -13.070000 17.313000 39 " " K L 2 "LYS " " CE " 6 0 0 1 26.18 600 39 + 601 32 -4.742000 -12.845000 17.017000 39 " " K L 2 "LYS " " NZ " 7 1 0 1 25.11 601 39 + 602 43 -9.994000 -16.345000 18.328000 39 " " K L 2 "LYS " " H " 1 0 0 1 21.7 602 39 + 603 41 -10.779000 -14.810000 15.985000 39 " " K L 2 "LYS " " HA " 1 0 0 1 22 603 39 + 604 41 -8.575000 -15.582000 15.102000 39 " " K L 2 "LYS " " HB3" 1 0 0 1 21.51 604 39 + 605 41 -8.371000 -16.601000 16.497000 39 " " K L 2 "LYS " " HB2" 1 0 0 1 21.51 605 39 + 606 41 -8.244000 -14.680000 18.006000 39 " " K L 2 "LYS " " HG3" 1 0 0 1 23.8 606 39 + 607 41 -8.772000 -13.578000 16.750000 39 " " K L 2 "LYS " " HG2" 1 0 0 1 23.8 607 39 + 608 41 -6.701000 -14.035000 15.470000 39 " " K L 2 "LYS " " HD3" 1 0 0 1 24.16 608 39 + 609 41 -6.166000 -15.138000 16.750000 39 " " K L 2 "LYS " " HD2" 1 0 0 1 24.16 609 39 + 610 41 -6.312000 -13.244000 18.381000 39 " " K L 2 "LYS " " HE3" 1 0 0 1 26.18 610 39 + 611 41 -6.748000 -12.169000 17.072000 39 " " K L 2 "LYS " " HE2" 1 0 0 1 26.18 611 39 + 612 44 -4.626000 -12.656000 16.032000 39 " " K L 2 "LYS " " HZ1" 1 0 0 1 25.11 612 39 + 613 44 -4.407000 -12.057000 17.552000 39 " " K L 2 "LYS " " HZ2" 1 0 0 1 25.11 613 39 + 614 44 -4.214000 -13.669000 17.266000 39 " " K L 2 "LYS " " HZ3" 1 0 0 1 25.11 614 39 + 615 25 -11.198000 -16.652000 14.195000 40 " " P L 2 "PRO " " N " 7 0 0 1 27.61 615 40 + 616 3 -11.862000 -17.658000 13.347000 40 " " P L 2 "PRO " " CA " 6 0 0 1 28.13 616 40 + 617 2 -11.235000 -19.045000 13.477000 40 " " P L 2 "PRO " " C " 6 0 0 1 29.58 617 40 + 618 15 -10.014000 -19.177000 13.375000 40 " " P L 2 "PRO " " O " 8 0 0 1 28.45 618 40 + 619 3 -11.654000 -17.098000 11.927000 40 " " P L 2 "PRO " " CB " 6 0 0 1 27.98 619 40 + 620 3 -11.621000 -15.632000 12.130000 40 " " P L 2 "PRO " " CG " 6 0 0 1 24.32 620 40 + 621 3 -10.902000 -15.414000 13.443000 40 " " P L 2 "PRO " " CD " 6 0 0 1 27.01 621 40 + 622 41 -12.926000 -17.703000 13.581000 40 " " P L 2 "PRO " " HA " 1 0 0 1 28.13 622 40 + 623 41 -12.513000 -17.357000 11.308000 40 " " P L 2 "PRO " " HB3" 1 0 0 1 27.98 623 40 + 624 41 -10.688000 -17.431000 11.546000 40 " " P L 2 "PRO " " HB2" 1 0 0 1 27.98 624 40 + 625 41 -12.640000 -15.254000 12.209000 40 " " P L 2 "PRO " " HG3" 1 0 0 1 24.32 625 40 + 626 41 -11.052000 -15.168000 11.324000 40 " " P L 2 "PRO " " HG2" 1 0 0 1 24.32 626 40 + 627 41 -9.829000 -15.352000 13.260000 40 " " P L 2 "PRO " " HD2" 1 0 0 1 27.01 627 40 + 628 41 -11.347000 -14.564000 13.960000 40 " " P L 2 "PRO " " HD3" 1 0 0 1 27.01 628 40 + 629 25 -12.063000 -20.049000 13.765000 41 " " G L 2 "GLY " " N " 7 0 0 1 27.94 629 41 + 630 3 -11.624000 -21.443000 13.854000 41 " " G L 2 "GLY " " CA " 6 0 0 1 32.9 630 41 + 631 2 -10.686000 -21.749000 15.010000 41 " " G L 2 "GLY " " C " 6 0 0 1 32.86 631 41 + 632 15 -9.936000 -22.725000 14.966000 41 " " G L 2 "GLY " " O " 8 0 0 1 37.21 632 41 + 633 43 -13.042000 -19.864000 13.933000 41 " " G L 2 "GLY " " H " 1 0 0 1 27.94 633 41 + 634 41 -11.148000 -21.731000 12.917000 41 " " G L 2 "GLY " " HA3" 1 0 0 1 32.9 634 41 + 635 41 -12.497000 -22.093000 13.916000 41 " " G L 2 "GLY " " HA2" 1 0 0 1 32.9 635 41 + 636 25 -10.710000 -20.897000 16.034000 42 " " Q L 2 "GLN " " N " 7 0 0 1 27.45 636 42 + 637 3 -9.922000 -21.106000 17.238000 42 " " Q L 2 "GLN " " CA " 6 0 0 0.5 19.83 637 42 + 638 2 -10.826000 -21.189000 18.464000 42 " " Q L 2 "GLN " " C " 6 0 0 1 21.71 638 42 + 639 15 -12.015000 -20.851000 18.435000 42 " " Q L 2 "GLN " " O " 8 0 0 1 26.47 639 42 + 640 3 -8.884000 -19.982000 17.434000 42 " " Q L 2 "GLN " " CB " 6 0 0 0.5 19.25 640 42 + 641 3 -7.760000 -19.929000 16.387000 42 " " Q L 2 "GLN " " CG " 6 0 0 0.5 19.48 641 42 + 642 2 -6.643000 -18.952000 16.741000 42 " " Q L 2 "GLN " " CD " 6 0 0 0.5 17.86 642 42 + 643 15 -6.664000 -18.305000 17.780000 42 " " Q L 2 "GLN " " OE1" 8 0 0 0.5 18.28 643 42 + 644 25 -5.660000 -18.850000 15.869000 42 " " Q L 2 "GLN " " NE2" 7 0 0 0.5 19.36 644 42 + 645 43 -11.290000 -20.071000 15.990000 42 " " Q L 2 "GLN " " H " 1 0 0 1 27.45 645 42 + 646 41 -9.389000 -22.052000 17.140000 42 " " Q L 2 "GLN " " HA " 1 0 0 1 19.83 646 42 + 647 41 -8.446000 -20.066000 18.429000 42 " " Q L 2 "GLN " " HB3" 1 0 0 1 19.25 647 42 + 648 41 -9.396000 -19.020000 17.462000 42 " " Q L 2 "GLN " " HB2" 1 0 0 1 19.25 648 42 + 649 41 -8.181000 -19.662000 15.418000 42 " " Q L 2 "GLN " " HG3" 1 0 0 1 19.48 649 42 + 650 41 -7.340000 -20.926000 16.256000 42 " " Q L 2 "GLN " " HG2" 1 0 0 1 19.48 650 42 + 651 43 -4.891000 -18.220000 16.046000 42 " " Q L 2 "GLN " "HE22" 1 0 0 1 19.36 651 42 + 652 43 -5.676000 -19.402000 15.023000 42 " " Q L 2 "GLN " "HE21" 1 0 0 1 19.36 652 42 + 653 25 -10.232000 -21.663000 19.549000 43 " " S L 2 "SER " " N " 7 0 0 1 21.71 653 43 + 654 3 -10.891000 -21.688000 20.835000 43 " " S L 2 "SER " " CA " 6 0 0 0.5 21.4 654 43 + 655 2 -10.746000 -20.288000 21.452000 43 " " S L 2 "SER " " C " 6 0 0 1 23.78 655 43 + 656 15 -9.846000 -19.521000 21.056000 43 " " S L 2 "SER " " O " 8 0 0 1 23.82 656 43 + 657 3 -10.241000 -22.747000 21.728000 43 " " S L 2 "SER " " CB " 6 0 0 0.5 19.31 657 43 + 658 16 -10.177000 -24.001000 21.063000 43 " " S L 2 "SER " " OG " 8 0 0 0.5 16.7 658 43 + 659 43 -9.290000 -22.022000 19.493000 43 " " S L 2 "SER " " H " 1 0 0 1 21.71 659 43 + 660 41 -11.947000 -21.921000 20.700000 43 " " S L 2 "SER " " HA " 1 0 0 1 21.4 660 43 + 661 41 -10.819000 -22.852000 22.646000 43 " " S L 2 "SER " " HB3" 1 0 0 1 19.31 661 43 + 662 41 -9.234000 -22.427000 21.997000 43 " " S L 2 "SER " " HB2" 1 0 0 1 19.31 662 43 + 663 42 -10.146000 -24.707000 21.713000 43 " " S L 2 "SER " " HG " 1 0 0 1 16.7 663 43 + 664 25 -11.632000 -19.932000 22.406000 44 " " P L 2 "PRO " " N " 7 0 0 1 22.7 664 44 + 665 3 -11.479000 -18.604000 22.997000 44 " " P L 2 "PRO " " CA " 6 0 0 1 23.91 665 44 + 666 2 -10.139000 -18.454000 23.713000 44 " " P L 2 "PRO " " C " 6 0 0 1 25.49 666 44 + 667 15 -9.577000 -19.444000 24.181000 44 " " P L 2 "PRO " " O " 8 0 0 1 26.97 667 44 + 668 3 -12.629000 -18.534000 24.005000 44 " " P L 2 "PRO " " CB " 6 0 0 1 23.8 668 44 + 669 3 -13.642000 -19.524000 23.483000 44 " " P L 2 "PRO " " CG " 6 0 0 1 26.29 669 44 + 670 3 -12.801000 -20.636000 22.956000 44 " " P L 2 "PRO " " CD " 6 0 0 1 23.23 670 44 + 671 41 -11.592000 -17.833000 22.235000 44 " " P L 2 "PRO " " HA " 1 0 0 1 23.91 671 44 + 672 41 -13.061000 -17.534000 23.990000 44 " " P L 2 "PRO " " HB3" 1 0 0 1 23.8 672 44 + 673 41 -12.273000 -18.863000 24.982000 44 " " P L 2 "PRO " " HB2" 1 0 0 1 23.8 673 44 + 674 41 -14.197000 -19.072000 22.661000 44 " " P L 2 "PRO " " HG3" 1 0 0 1 26.29 674 44 + 675 41 -14.247000 -19.892000 24.312000 44 " " P L 2 "PRO " " HG2" 1 0 0 1 26.29 675 44 + 676 41 -12.482000 -21.269000 23.784000 44 " " P L 2 "PRO " " HD2" 1 0 0 1 23.23 676 44 + 677 41 -13.333000 -21.136000 22.147000 44 " " P L 2 "PRO " " HD3" 1 0 0 1 23.23 677 44 + 678 25 -9.634000 -17.225000 23.756000 45 " " K L 2 "LYS " " N " 7 0 0 1 20.79 678 45 + 679 3 -8.380000 -16.884000 24.442000 45 " " K L 2 "LYS " " CA " 6 0 0 1 23.02 679 45 + 680 2 -8.664000 -15.828000 25.510000 45 " " K L 2 "LYS " " C " 6 0 0 1 22.39 680 45 + 681 15 -9.270000 -14.788000 25.232000 45 " " K L 2 "LYS " " O " 8 0 0 1 21.71 681 45 + 682 3 -7.359000 -16.345000 23.434000 45 " " K L 2 "LYS " " CB " 6 0 0 1 24.82 682 45 + 683 3 -6.074000 -15.768000 24.047000 45 " " K L 2 "LYS " " CG " 6 0 0 1 29.21 683 45 + 684 3 -5.229000 -15.047000 22.996000 45 " " K L 2 "LYS " " CD " 6 0 0 1 30.25 684 45 + 685 3 -4.055000 -14.324000 23.640000 45 " " K L 2 "LYS " " CE " 6 0 0 1 36.6 685 45 + 686 32 -3.050000 -13.857000 22.633000 45 " " K L 2 "LYS " " NZ " 7 1 0 1 42.03 686 45 + 687 43 -10.118000 -16.464000 23.301000 45 " " K L 2 "LYS " " H " 1 0 0 1 20.79 687 45 + 688 41 -7.977000 -17.778000 24.919000 45 " " K L 2 "LYS " " HA " 1 0 0 1 23.02 688 45 + 689 41 -7.833000 -15.586000 22.811000 45 " " K L 2 "LYS " " HB3" 1 0 0 1 24.82 689 45 + 690 41 -7.099000 -17.134000 22.728000 45 " " K L 2 "LYS " " HB2" 1 0 0 1 24.82 690 45 + 691 41 -5.490000 -16.574000 24.491000 45 " " K L 2 "LYS " " HG3" 1 0 0 1 29.21 691 45 + 692 41 -6.333000 -15.071000 24.844000 45 " " K L 2 "LYS " " HG2" 1 0 0 1 29.21 692 45 + 693 41 -5.850000 -14.327000 22.463000 45 " " K L 2 "LYS " " HD3" 1 0 0 1 30.25 693 45 + 694 41 -4.856000 -15.771000 22.271000 45 " " K L 2 "LYS " " HD2" 1 0 0 1 30.25 694 45 + 695 41 -3.569000 -14.987000 24.356000 45 " " K L 2 "LYS " " HE3" 1 0 0 1 36.6 695 45 + 696 41 -4.423000 -13.469000 24.208000 45 " " K L 2 "LYS " " HE2" 1 0 0 1 36.6 696 45 + 697 44 -2.392000 -13.233000 23.078000 45 " " K L 2 "LYS " " HZ1" 1 0 0 1 42.03 697 45 + 698 44 -2.556000 -14.653000 22.256000 45 " " K L 2 "LYS " " HZ2" 1 0 0 1 42.03 698 45 + 699 44 -3.523000 -13.370000 21.886000 45 " " K L 2 "LYS " " HZ3" 1 0 0 1 42.03 699 45 + 700 25 -8.210000 -16.089000 26.729000 46 " " L L 2 "LEU " " N " 7 0 2 1 19.2 700 46 + 701 3 -8.366000 -15.136000 27.828000 46 " " L L 2 "LEU " " CA " 6 0 2 1 22.61 701 46 + 702 2 -7.547000 -13.839000 27.664000 46 " " L L 2 "LEU " " C " 6 0 2 1 23.51 702 46 + 703 15 -6.314000 -13.871000 27.539000 46 " " L L 2 "LEU " " O " 8 0 2 1 21.12 703 46 + 704 3 -7.988000 -15.824000 29.147000 46 " " L L 2 "LEU " " CB " 6 0 2 1 20.65 704 46 + 705 3 -7.847000 -14.947000 30.400000 46 " " L L 2 "LEU " " CG " 6 0 2 1 25.32 705 46 + 706 3 -9.185000 -14.350000 30.752000 46 " " L L 2 "LEU " " CD1" 6 0 2 1 26.18 706 46 + 707 3 -7.281000 -15.765000 31.561000 46 " " L L 2 "LEU " " CD2" 6 0 2 1 28.84 707 46 + 708 43 -7.743000 -16.964000 26.917000 46 " " L L 2 "LEU " " H " 1 0 2 1 19.2 708 46 + 709 41 -9.419000 -14.861000 27.885000 46 " " L L 2 "LEU " " HA " 1 0 2 1 22.61 709 46 + 710 41 -7.069000 -16.392000 29.003000 46 " " L L 2 "LEU " " HB3" 1 0 2 1 20.65 710 46 + 711 41 -8.700000 -16.624000 29.349000 46 " " L L 2 "LEU " " HB2" 1 0 2 1 20.65 711 46 + 712 41 -7.154000 -14.136000 30.178000 46 " " L L 2 "LEU " " HG " 1 0 2 1 25.32 712 46 + 713 41 -9.083000 -13.728000 31.641000 46 " " L L 2 "LEU " "HD11" 1 0 2 1 26.18 713 46 + 714 41 -9.541000 -13.740000 29.922000 46 " " L L 2 "LEU " "HD12" 1 0 2 1 26.18 714 46 + 715 41 -9.900000 -15.149000 30.948000 46 " " L L 2 "LEU " "HD13" 1 0 2 1 26.18 715 46 + 716 41 -7.187000 -15.130000 32.442000 46 " " L L 2 "LEU " "HD21" 1 0 2 1 28.84 716 46 + 717 41 -7.952000 -16.595000 31.782000 46 " " L L 2 "LEU " "HD22" 1 0 2 1 28.84 717 46 + 718 41 -6.300000 -16.154000 31.288000 46 " " L L 2 "LEU " "HD23" 1 0 2 1 28.84 718 46 + 719 25 -8.231000 -12.697000 27.729000 47 " " L L 2 "LEU " " N " 7 0 2 1 18.81 719 47 + 720 3 -7.548000 -11.383000 27.610000 47 " " L L 2 "LEU " " CA " 6 0 2 1 18.72 720 47 + 721 2 -7.556000 -10.564000 28.901000 47 " " L L 2 "LEU " " C " 6 0 2 1 20.25 721 47 + 722 15 -6.525000 -10.045000 29.307000 47 " " L L 2 "LEU " " O " 8 0 2 1 22.04 722 47 + 723 3 -8.174000 -10.548000 26.493000 47 " " L L 2 "LEU " " CB " 6 0 2 1 21.08 723 47 + 724 3 -8.109000 -11.044000 25.050000 47 " " L L 2 "LEU " " CG " 6 0 2 1 24.82 724 47 + 725 3 -8.672000 -9.943000 24.168000 47 " " L L 2 "LEU " " CD1" 6 0 2 1 24.09 725 47 + 726 3 -6.694000 -11.406000 24.634000 47 " " L L 2 "LEU " " CD2" 6 0 2 1 22.68 726 47 + 727 43 -9.232000 -12.715000 27.861000 47 " " L L 2 "LEU " " H " 1 0 2 1 18.81 727 47 + 728 41 -6.508000 -11.571000 27.342000 47 " " L L 2 "LEU " " HA " 1 0 2 1 18.72 728 47 + 729 41 -7.771000 -9.536000 26.539000 47 " " L L 2 "LEU " " HB3" 1 0 2 1 21.08 729 47 + 730 41 -9.212000 -10.336000 26.748000 47 " " L L 2 "LEU " " HB2" 1 0 2 1 21.08 730 47 + 731 41 -8.740000 -11.928000 24.954000 47 " " L L 2 "LEU " " HG " 1 0 2 1 24.82 731 47 + 732 41 -8.642000 -10.261000 23.126000 47 " " L L 2 "LEU " "HD11" 1 0 2 1 24.09 732 47 + 733 41 -9.703000 -9.738000 24.456000 47 " " L L 2 "LEU " "HD12" 1 0 2 1 24.09 733 47 + 734 41 -8.075000 -9.039000 24.289000 47 " " L L 2 "LEU " "HD13" 1 0 2 1 24.09 734 47 + 735 41 -6.696000 -11.753000 23.601000 47 " " L L 2 "LEU " "HD21" 1 0 2 1 22.68 735 47 + 736 41 -6.054000 -10.528000 24.720000 47 " " L L 2 "LEU " "HD22" 1 0 2 1 22.68 736 47 + 737 41 -6.315000 -12.197000 25.282000 47 " " L L 2 "LEU " "HD23" 1 0 2 1 22.68 737 47 + 738 25 -8.723000 -10.452000 29.534000 48 " " I L 2 "ILE " " N " 7 0 2 1 19.69 738 48 + 739 3 -8.892000 -9.595000 30.733000 48 " " I L 2 "ILE " " CA " 6 0 2 1 20.3 739 48 + 740 2 -9.645000 -10.413000 31.782000 48 " " I L 2 "ILE " " C " 6 0 2 1 22.78 740 48 + 741 15 -10.576000 -11.145000 31.446000 48 " " I L 2 "ILE " " O " 8 0 2 1 22.05 741 48 + 742 3 -9.711000 -8.300000 30.413000 48 " " I L 2 "ILE " " CB " 6 0 2 1 20.02 742 48 + 743 3 -9.146000 -7.538000 29.189000 48 " " I L 2 "ILE " " CG1" 6 0 2 1 20.23 743 48 + 744 3 -9.901000 -7.412000 31.669000 48 " " I L 2 "ILE " " CG2" 6 0 2 1 20.65 744 48 + 745 3 -7.846000 -6.786000 29.429000 48 " " I L 2 "ILE " " CD1" 6 0 2 1 22.26 745 48 + 746 43 -9.529000 -10.960000 29.200000 48 " " I L 2 "ILE " " H " 1 0 2 1 19.69 746 48 + 747 41 -7.912000 -9.318000 31.123000 48 " " I L 2 "ILE " " HA " 1 0 2 1 20.3 747 48 + 748 41 -10.708000 -8.636000 30.126000 48 " " I L 2 "ILE " " HB " 1 0 2 1 20.02 748 48 + 749 41 -9.900000 -6.844000 28.817000 48 " " I L 2 "ILE " "HG13" 1 0 2 1 20.23 749 48 + 750 41 -9.011000 -8.235000 28.362000 48 " " I L 2 "ILE " "HG12" 1 0 2 1 20.23 750 48 + 751 41 -10.474000 -6.524000 31.403000 48 " " I L 2 "ILE " "HG21" 1 0 2 1 20.65 751 48 + 752 41 -10.436000 -7.974000 32.434000 48 " " I L 2 "ILE " "HG22" 1 0 2 1 20.65 752 48 + 753 41 -8.926000 -7.113000 32.054000 48 " " I L 2 "ILE " "HG23" 1 0 2 1 20.65 753 48 + 754 41 -7.538000 -6.288000 28.509000 48 " " I L 2 "ILE " "HD11" 1 0 2 1 22.26 754 48 + 755 41 -7.995000 -6.042000 30.212000 48 " " I L 2 "ILE " "HD12" 1 0 2 1 22.26 755 48 + 756 41 -7.071000 -7.488000 29.738000 48 " " I L 2 "ILE " "HD13" 1 0 2 1 22.26 756 48 + 757 25 -9.257000 -10.283000 33.046000 49 " " Y L 2 "TYR " " N " 7 0 2 1 21.86 757 49 + 758 3 -10.007000 -10.908000 34.133000 49 " " Y L 2 "TYR " " CA " 6 0 2 1 21.19 758 49 + 759 2 -10.118000 -9.920000 35.299000 49 " " Y L 2 "TYR " " C " 6 0 2 1 21.06 759 49 + 760 15 -9.432000 -8.893000 35.299000 49 " " Y L 2 "TYR " " O " 8 0 2 1 21.4 760 49 + 761 3 -9.341000 -12.228000 34.566000 49 " " Y L 2 "TYR " " CB " 6 0 2 1 25.19 761 49 + 762 2 -7.962000 -12.028000 35.135000 49 " " Y L 2 "TYR " " CG " 6 0 2 1 26.84 762 49 + 763 2 -6.850000 -11.896000 34.298000 49 " " Y L 2 "TYR " " CD1" 6 0 2 1 23.74 763 49 + 764 2 -7.768000 -11.952000 36.520000 49 " " Y L 2 "TYR " " CD2" 6 0 2 1 28.04 764 49 + 765 2 -5.580000 -11.686000 34.828000 49 " " Y L 2 "TYR " " CE1" 6 0 2 1 28.97 765 49 + 766 2 -6.511000 -11.747000 37.060000 49 " " Y L 2 "TYR " " CE2" 6 0 2 1 29.38 766 49 + 767 2 -5.424000 -11.619000 36.214000 49 " " Y L 2 "TYR " " CZ " 6 0 2 1 29.83 767 49 + 768 16 -4.182000 -11.416000 36.755000 49 " " Y L 2 "TYR " " OH " 8 0 2 1 31.6 768 49 + 769 43 -8.431000 -9.745000 33.268000 49 " " Y L 2 "TYR " " H " 1 0 2 1 21.86 769 49 + 770 41 -11.012000 -11.131000 33.774000 49 " " Y L 2 "TYR " " HA " 1 0 2 1 21.19 770 49 + 771 41 -9.286000 -12.903000 33.712000 49 " " Y L 2 "TYR " " HB3" 1 0 2 1 25.19 771 49 + 772 41 -9.969000 -12.725000 35.305000 49 " " Y L 2 "TYR " " HB2" 1 0 2 1 25.19 772 49 + 773 41 -6.970000 -11.957000 33.226000 49 " " Y L 2 "TYR " " HD1" 1 0 2 1 23.74 773 49 + 774 41 -8.609000 -12.054000 37.190000 49 " " Y L 2 "TYR " " HD2" 1 0 2 1 28.04 774 49 + 775 41 -4.731000 -11.577000 34.169000 49 " " Y L 2 "TYR " " HE1" 1 0 2 1 28.97 775 49 + 776 41 -6.386000 -11.688000 38.131000 49 " " Y L 2 "TYR " " HE2" 1 0 2 1 29.38 776 49 + 777 42 -4.249000 -11.396000 37.712000 49 " " Y L 2 "TYR " " HH " 1 0 2 1 31.6 777 49 + 778 25 -10.965000 -10.223000 36.286000 50 " " Y L 2 "TYR " " N " 7 0 0 1 19.42 778 50 + 779 3 -11.286000 -9.255000 37.362000 50 " " Y L 2 "TYR " " CA " 6 0 0 1 16.43 779 50 + 780 2 -11.592000 -7.859000 36.790000 50 " " Y L 2 "TYR " " C " 6 0 0 1 19.8 780 50 + 781 15 -11.191000 -6.828000 37.366000 50 " " Y L 2 "TYR " " O " 8 0 0 1 18.13 781 50 + 782 3 -10.169000 -9.158000 38.411000 50 " " Y L 2 "TYR " " CB " 6 0 0 1 19.48 782 50 + 783 2 -9.811000 -10.451000 39.130000 50 " " Y L 2 "TYR " " CG " 6 0 0 1 18.21 783 50 + 784 2 -10.664000 -11.564000 39.123000 50 " " Y L 2 "TYR " " CD1" 6 0 0 1 23.35 784 50 + 785 2 -8.615000 -10.544000 39.843000 50 " " Y L 2 "TYR " " CD2" 6 0 0 1 19.38 785 50 + 786 2 -10.302000 -12.751000 39.792000 50 " " Y L 2 "TYR " " CE1" 6 0 0 1 20.76 786 50 + 787 2 -8.255000 -11.711000 40.517000 50 " " Y L 2 "TYR " " CE2" 6 0 0 1 21.66 787 50 + 788 2 -9.100000 -12.812000 40.485000 50 " " Y L 2 "TYR " " CZ " 6 0 0 1 21.09 788 50 + 789 16 -8.734000 -13.955000 41.175000 50 " " Y L 2 "TYR " " OH " 8 0 0 1 20.38 789 50 + 790 43 -11.405000 -11.132000 36.312000 50 " " Y L 2 "TYR " " H " 1 0 0 1 19.42 790 50 + 791 41 -12.184000 -9.609000 37.868000 50 " " Y L 2 "TYR " " HA " 1 0 0 1 16.43 791 50 + 792 41 -10.432000 -8.398000 39.147000 50 " " Y L 2 "TYR " " HB3" 1 0 0 1 19.48 792 50 + 793 41 -9.274000 -8.746000 37.946000 50 " " Y L 2 "TYR " " HB2" 1 0 0 1 19.48 793 50 + 794 41 -11.609000 -11.517000 38.602000 50 " " Y L 2 "TYR " " HD1" 1 0 0 1 23.35 794 50 + 795 41 -7.943000 -9.700000 39.882000 50 " " Y L 2 "TYR " " HD2" 1 0 0 1 19.38 795 50 + 796 41 -10.958000 -13.608000 39.764000 50 " " Y L 2 "TYR " " HE1" 1 0 0 1 20.76 796 50 + 797 41 -7.323000 -11.755000 41.060000 50 " " Y L 2 "TYR " " HE2" 1 0 0 1 21.66 797 50 + 798 42 -9.256000 -14.698000 40.864000 50 " " Y L 2 "TYR " " HH " 1 0 0 1 20.38 798 50 + 799 25 -12.294000 -7.862000 35.653000 51 " " A L 2 "ALA " " N " 7 0 0 1 19.79 799 51 + 800 3 -12.775000 -6.657000 34.945000 51 " " A L 2 "ALA " " CA " 6 0 0 1 17.47 800 51 + 801 2 -11.683000 -5.802000 34.289000 51 " " A L 2 "ALA " " C " 6 0 0 1 19.4 801 51 + 802 15 -11.924000 -5.218000 33.237000 51 " " A L 2 "ALA " " O " 8 0 0 1 20.35 802 51 + 803 3 -13.652000 -5.797000 35.867000 51 " " A L 2 "ALA " " CB " 6 0 0 1 20.87 803 51 + 804 43 -12.535000 -8.737000 35.211000 51 " " A L 2 "ALA " " H " 1 0 0 1 19.79 804 51 + 805 41 -13.421000 -7.007000 34.140000 51 " " A L 2 "ALA " " HA " 1 0 0 1 17.47 805 51 + 806 41 -13.995000 -4.916000 35.325000 51 " " A L 2 "ALA " " HB1" 1 0 0 1 20.87 806 51 + 807 41 -14.513000 -6.378000 36.196000 51 " " A L 2 "ALA " " HB2" 1 0 0 1 20.87 807 51 + 808 41 -13.071000 -5.486000 36.735000 51 " " A L 2 "ALA " " HB3" 1 0 0 1 20.87 808 51 + 809 25 -10.502000 -5.706000 34.903000 52 " " S L 2 "SER " " N " 7 0 0 1 21.5 809 52 + 810 3 -9.473000 -4.785000 34.410000 52 " " S L 2 "SER " " CA " 6 0 0 1 19.28 810 52 + 811 2 -8.045000 -5.331000 34.303000 52 " " S L 2 "SER " " C " 6 0 0 1 22.98 811 52 + 812 15 -7.181000 -4.647000 33.752000 52 " " S L 2 "SER " " O " 8 0 0 1 26.45 812 52 + 813 3 -9.467000 -3.496000 35.234000 52 " " S L 2 "SER " " CB " 6 0 0 1 20.95 813 52 + 814 16 -9.275000 -3.781000 36.603000 52 " " S L 2 "SER " " OG " 8 0 0 1 20.62 814 52 + 815 43 -10.309000 -6.272000 35.717000 52 " " S L 2 "SER " " H " 1 0 0 1 21.5 815 52 + 816 41 -9.771000 -4.503000 33.400000 52 " " S L 2 "SER " " HA " 1 0 0 1 19.28 816 52 + 817 41 -10.416000 -2.976000 35.101000 52 " " S L 2 "SER " " HB3" 1 0 0 1 20.95 817 52 + 818 41 -8.667000 -2.845000 34.883000 52 " " S L 2 "SER " " HB2" 1 0 0 1 20.95 818 52 + 819 42 -9.986000 -4.346000 36.915000 52 " " S L 2 "SER " " HG " 1 0 0 1 20.62 819 52 + 820 25 -7.779000 -6.521000 34.847000 53 " " N L 2 "ASN " " N " 7 0 2 1 20.46 820 53 + 821 3 -6.428000 -7.082000 34.803000 53 " " N L 2 "ASN " " CA " 6 0 2 1 22.86 821 53 + 822 2 -6.142000 -7.688000 33.436000 53 " " N L 2 "ASN " " C " 6 0 2 1 21.47 822 53 + 823 15 -6.863000 -8.581000 32.991000 53 " " N L 2 "ASN " " O " 8 0 2 1 22.63 823 53 + 824 3 -6.225000 -8.159000 35.882000 53 " " N L 2 "ASN " " CB " 6 0 2 1 22.51 824 53 + 825 2 -6.228000 -7.599000 37.295000 53 " " N L 2 "ASN " " CG " 6 0 2 1 27.84 825 53 + 826 15 -6.290000 -8.493000 38.274000 53 " " N L 2 "ASN " " OD1" 8 0 2 1 26.42 826 53 + 827 25 -6.154000 -6.391000 37.509000 53 " " N L 2 "ASN " " ND2" 7 0 2 1 29.83 827 53 + 828 43 -8.515000 -7.047000 35.297000 53 " " N L 2 "ASN " " H " 1 0 2 1 20.46 828 53 + 829 41 -5.714000 -6.277000 34.980000 53 " " N L 2 "ASN " " HA " 1 0 2 1 22.86 829 53 + 830 41 -5.285000 -8.680000 35.701000 53 " " N L 2 "ASN " " HB3" 1 0 2 1 22.51 830 53 + 831 41 -7.005000 -8.915000 35.790000 53 " " N L 2 "ASN " " HB2" 1 0 2 1 22.51 831 53 + 832 43 -6.158000 -6.045000 38.458000 53 " " N L 2 "ASN " "HD22" 1 0 2 1 29.83 832 53 + 833 43 -6.089000 -5.744000 36.736000 53 " " N L 2 "ASN " "HD21" 1 0 2 1 29.83 833 53 + 834 25 -5.097000 -7.205000 32.767000 54 " " R L 2 "ARG " " N " 7 0 2 1 22.37 834 54 + 835 3 -4.645000 -7.844000 31.525000 54 " " R L 2 "ARG " " CA " 6 0 2 1 24.03 835 54 + 836 2 -3.961000 -9.149000 31.881000 54 " " R L 2 "ARG " " C " 6 0 2 1 26.11 836 54 + 837 15 -3.149000 -9.188000 32.813000 54 " " R L 2 "ARG " " O " 8 0 2 1 28.6 837 54 + 838 3 -3.639000 -6.974000 30.767000 54 " " R L 2 "ARG " " CB " 6 0 2 1 27.75 838 54 + 839 3 -4.188000 -5.793000 30.017000 54 " " R L 2 "ARG " " CG " 6 0 2 1 37.72 839 54 + 840 3 -3.066000 -5.176000 29.164000 54 " " R L 2 "ARG " " CD " 6 0 2 1 36.8 840 54 + 841 25 -3.340000 -3.790000 28.789000 54 " " R L 2 "ARG " " NE " 7 0 2 1 38.89 841 54 + 842 2 -2.968000 -2.720000 29.488000 54 " " R L 2 "ARG " " CZ " 6 0 2 1 41.76 842 54 + 843 25 -2.294000 -2.850000 30.630000 54 " " R L 2 "ARG " " NH1" 7 0 2 1 43.43 843 54 + 844 31 -3.267000 -1.510000 29.038000 54 " " R L 2 "ARG " " NH2" 7 1 2 1 42.31 844 54 + 845 43 -4.608000 -6.392000 33.113000 54 " " R L 2 "ARG " " H " 1 0 2 1 22.37 845 54 + 846 41 -5.505000 -8.046000 30.886000 54 " " R L 2 "ARG " " HA " 1 0 2 1 24.03 846 54 + 847 41 -3.069000 -7.600000 30.081000 54 " " R L 2 "ARG " " HB3" 1 0 2 1 27.75 847 54 + 848 41 -2.868000 -6.633000 31.458000 54 " " R L 2 "ARG " " HB2" 1 0 2 1 27.75 848 54 + 849 41 -4.555000 -5.051000 30.726000 54 " " R L 2 "ARG " " HG3" 1 0 2 1 37.72 849 54 + 850 41 -5.000000 -6.121000 29.367000 54 " " R L 2 "ARG " " HG2" 1 0 2 1 37.72 850 54 + 851 41 -2.925000 -5.774000 28.264000 54 " " R L 2 "ARG " " HD3" 1 0 2 1 36.8 851 54 + 852 41 -2.126000 -5.224000 29.713000 54 " " R L 2 "ARG " " HD2" 1 0 2 1 36.8 852 54 + 853 43 -3.853000 -3.676000 27.927000 54 " " R L 2 "ARG " " HE " 1 0 2 1 38.89 853 54 + 854 43 -2.018000 -2.029000 31.150000 54 " " R L 2 "ARG " "HH12" 1 0 2 1 43.43 854 54 + 855 43 -2.059000 -3.769000 30.976000 54 " " R L 2 "ARG " "HH11" 1 0 2 1 43.43 855 54 + 856 44 -2.988000 -0.693000 29.562000 54 " " R L 2 "ARG " "HH22" 1 0 2 1 42.31 856 54 + 857 44 -3.774000 -1.405000 28.171000 54 " " R L 2 "ARG " "HH21" 1 0 2 1 42.31 857 54 + 858 25 -4.286000 -10.211000 31.150000 55 " " Y L 2 "TYR " " N " 7 0 0 1 26.15 858 55 + 859 3 -3.596000 -11.485000 31.305000 55 " " Y L 2 "TYR " " CA " 6 0 0 1 27.45 859 55 + 860 2 -2.226000 -11.373000 30.636000 55 " " Y L 2 "TYR " " C " 6 0 0 1 30.28 860 55 + 861 15 -1.994000 -10.479000 29.809000 55 " " Y L 2 "TYR " " O " 8 0 0 1 30.11 861 55 + 862 3 -4.427000 -12.633000 30.702000 55 " " Y L 2 "TYR " " CB " 6 0 0 1 27.61 862 55 + 863 2 -3.871000 -14.027000 30.953000 55 " " Y L 2 "TYR " " CG " 6 0 0 1 25.23 863 55 + 864 2 -3.928000 -14.597000 32.221000 55 " " Y L 2 "TYR " " CD1" 6 0 0 1 27.58 864 55 + 865 2 -3.325000 -14.787000 29.918000 55 " " Y L 2 "TYR " " CD2" 6 0 0 1 31.43 865 55 + 866 2 -3.436000 -15.871000 32.461000 55 " " Y L 2 "TYR " " CE1" 6 0 0 1 28.73 866 55 + 867 2 -2.818000 -16.083000 30.151000 55 " " Y L 2 "TYR " " CE2" 6 0 0 1 28.34 867 55 + 868 2 -2.886000 -16.610000 31.423000 55 " " Y L 2 "TYR " " CZ " 6 0 0 1 28.29 868 55 + 869 16 -2.400000 -17.872000 31.688000 55 " " Y L 2 "TYR " " OH " 8 0 0 1 28.67 869 55 + 870 43 -5.027000 -10.146000 30.467000 55 " " Y L 2 "TYR " " H " 1 0 0 1 26.15 870 55 + 871 41 -3.452000 -11.678000 32.368000 55 " " Y L 2 "TYR " " HA " 1 0 0 1 27.45 871 55 + 872 41 -4.534000 -12.475000 29.629000 55 " " Y L 2 "TYR " " HB3" 1 0 0 1 27.61 872 55 + 873 41 -5.447000 -12.578000 31.082000 55 " " Y L 2 "TYR " " HB2" 1 0 0 1 27.61 873 55 + 874 41 -4.362000 -14.045000 33.042000 55 " " Y L 2 "TYR " " HD1" 1 0 0 1 27.58 874 55 + 875 41 -3.285000 -14.385000 28.916000 55 " " Y L 2 "TYR " " HD2" 1 0 0 1 31.43 875 55 + 876 41 -3.481000 -16.289000 33.456000 55 " " Y L 2 "TYR " " HE1" 1 0 0 1 28.73 876 55 + 877 41 -2.384000 -16.647000 29.339000 55 " " Y L 2 "TYR " " HE2" 1 0 0 1 28.34 877 55 + 878 42 -2.520000 -18.073000 32.619000 55 " " Y L 2 "TYR " " HH " 1 0 0 1 28.67 878 55 + 879 25 -1.312000 -12.267000 31.000000 56 " " T L 2 "THR " " N " 7 0 0 1 32.33 879 56 + 880 3 0.056000 -12.218000 30.480000 56 " " T L 2 "THR " " CA " 6 0 0 1 39.22 880 56 + 881 2 0.129000 -12.344000 28.972000 56 " " T L 2 "THR " " C " 6 0 0 1 37.56 881 56 + 882 15 -0.640000 -13.082000 28.357000 56 " " T L 2 "THR " " O " 8 0 0 1 37.21 882 56 + 883 3 0.942000 -13.292000 31.115000 56 " " T L 2 "THR " " CB " 6 0 0 1 43.58 883 56 + 884 16 0.244000 -14.547000 31.118000 56 " " T L 2 "THR " " OG1" 8 0 0 1 44.93 884 56 + 885 3 1.267000 -12.891000 32.523000 56 " " T L 2 "THR " " CG2" 6 0 0 1 41.91 885 56 + 886 43 -1.555000 -13.002000 31.649000 56 " " T L 2 "THR " " H " 1 0 0 1 32.33 886 56 + 887 41 0.474000 -11.248000 30.748000 56 " " T L 2 "THR " " HA " 1 0 0 1 39.22 887 56 + 888 41 1.864000 -13.389000 30.542000 56 " " T L 2 "THR " " HB " 1 0 0 1 43.58 888 56 + 889 42 0.033000 -14.798000 30.216000 56 " " T L 2 "THR " " HG1" 1 0 0 1 44.93 889 56 + 890 41 1.898000 -13.652000 32.982000 56 " " T L 2 "THR " "HG21" 1 0 0 1 41.91 890 56 + 891 41 1.795000 -11.937000 32.517000 56 " " T L 2 "THR " "HG22" 1 0 0 1 41.91 891 56 + 892 41 0.345000 -12.792000 33.095000 56 " " T L 2 "THR " "HG23" 1 0 0 1 41.91 892 56 + 893 25 1.051000 -11.592000 28.382000 57 " " G L 2 "GLY " " N " 7 0 0 1 41.05 893 57 + 894 3 1.260000 -11.634000 26.947000 57 " " G L 2 "GLY " " CA " 6 0 0 1 40.14 894 57 + 895 2 0.307000 -10.746000 26.178000 57 " " G L 2 "GLY " " C " 6 0 0 1 37.84 895 57 + 896 15 0.571000 -10.440000 25.022000 57 " " G L 2 "GLY " " O " 8 0 0 1 42.24 896 57 + 897 43 1.626000 -10.972000 28.934000 57 " " G L 2 "GLY " " H " 1 0 0 1 41.05 897 57 + 898 41 1.160000 -12.661000 26.597000 57 " " G L 2 "GLY " " HA3" 1 0 0 1 40.14 898 57 + 899 41 2.286000 -11.344000 26.722000 57 " " G L 2 "GLY " " HA2" 1 0 0 1 40.14 899 57 + 900 25 -0.790000 -10.334000 26.822000 58 " " V L 2 "VAL " " N " 7 0 0 1 33.37 900 58 + 901 3 -1.840000 -9.525000 26.186000 58 " " V L 2 "VAL " " CA " 6 0 0 1 31.85 901 58 + 902 2 -1.359000 -8.083000 25.937000 58 " " V L 2 "VAL " " C " 6 0 0 1 28.18 902 58 + 903 15 -0.948000 -7.391000 26.879000 58 " " V L 2 "VAL " " O " 8 0 0 1 27.11 903 58 + 904 3 -3.154000 -9.537000 27.024000 58 " " V L 2 "VAL " " CB " 6 0 0 1 30.95 904 58 + 905 3 -4.218000 -8.608000 26.428000 58 " " V L 2 "VAL " " CG1" 6 0 0 1 31.18 905 58 + 906 3 -3.694000 -10.963000 27.149000 58 " " V L 2 "VAL " " CG2" 6 0 0 1 31 906 58 + 907 43 -0.927000 -10.577000 27.793000 58 " " V L 2 "VAL " " H " 1 0 0 1 33.37 907 58 + 908 41 -2.061000 -9.972000 25.217000 58 " " V L 2 "VAL " " HA " 1 0 0 1 31.85 908 58 + 909 41 -2.917000 -9.178000 28.026000 58 " " V L 2 "VAL " " HB " 1 0 0 1 30.95 909 58 + 910 41 -5.118000 -8.645000 27.041000 58 " " V L 2 "VAL " "HG11" 1 0 0 1 31.18 910 58 + 911 41 -3.837000 -7.587000 26.404000 58 " " V L 2 "VAL " "HG12" 1 0 0 1 31.18 911 58 + 912 41 -4.456000 -8.930000 25.414000 58 " " V L 2 "VAL " "HG13" 1 0 0 1 31.18 912 58 + 913 41 -4.612000 -10.954000 27.737000 58 " " V L 2 "VAL " "HG21" 1 0 0 1 31 913 58 + 914 41 -3.903000 -11.361000 26.156000 58 " " V L 2 "VAL " "HG22" 1 0 0 1 31 914 58 + 915 41 -2.953000 -11.591000 27.643000 58 " " V L 2 "VAL " "HG23" 1 0 0 1 31 915 58 + 916 25 -1.405000 -7.632000 24.667000 59 " " P L 2 "PRO " " N " 7 0 0 1 30.57 916 59 + 917 3 -0.913000 -6.303000 24.294000 59 " " P L 2 "PRO " " CA " 6 0 0 1 32.07 917 59 + 918 2 -1.605000 -5.177000 25.054000 59 " " P L 2 "PRO " " C " 6 0 0 1 31.34 918 59 + 919 15 -2.781000 -5.300000 25.419000 59 " " P L 2 "PRO " " O " 8 0 0 1 28.81 919 59 + 920 3 -1.264000 -6.205000 22.809000 59 " " P L 2 "PRO " " CB " 6 0 0 1 31.49 920 59 + 921 3 -1.344000 -7.604000 22.349000 59 " " P L 2 "PRO " " CG " 6 0 0 1 35.53 921 59 + 922 3 -1.926000 -8.359000 23.497000 59 " " P L 2 "PRO " " CD " 6 0 0 1 29.47 922 59 + 923 41 0.167000 -6.246000 24.433000 59 " " P L 2 "PRO " " HA " 1 0 0 1 32.07 923 59 + 924 41 -0.458000 -5.696000 22.280000 59 " " P L 2 "PRO " " HB3" 1 0 0 1 31.49 924 59 + 925 41 -2.240000 -5.732000 22.699000 59 " " P L 2 "PRO " " HB2" 1 0 0 1 31.49 925 59 + 926 41 -0.340000 -7.975000 22.144000 59 " " P L 2 "PRO " " HG3" 1 0 0 1 35.53 926 59 + 927 41 -2.020000 -7.666000 21.496000 59 " " P L 2 "PRO " " HG2" 1 0 0 1 35.53 927 59 + 928 41 -3.012000 -8.270000 23.473000 59 " " P L 2 "PRO " " HD2" 1 0 0 1 29.47 928 59 + 929 41 -1.529000 -9.374000 23.498000 59 " " P L 2 "PRO " " HD3" 1 0 0 1 29.47 929 59 + 930 25 -0.853000 -4.101000 25.279000 60 " " D L 2 "ASP " " N " 7 0 0 1 26.95 930 60 + 931 3 -1.308000 -2.883000 25.934000 60 " " D L 2 "ASP " " CA " 6 0 0 1 28.99 931 60 + 932 2 -2.546000 -2.244000 25.311000 60 " " D L 2 "ASP " " C " 6 0 0 1 24.55 932 60 + 933 15 -3.285000 -1.529000 25.990000 60 " " D L 2 "ASP " " O " 8 0 0 1 24.13 933 60 + 934 3 -0.171000 -1.853000 25.926000 60 " " D L 2 "ASP " " CB " 6 0 0 1 35.72 934 60 + 935 2 0.840000 -2.078000 27.039000 60 " " D L 2 "ASP " " CG " 6 0 0 1 42.81 935 60 + 936 15 0.605000 -2.931000 27.924000 60 " " D L 2 "ASP " " OD1" 8 0 0 1 43.8 936 60 + 937 18 1.873000 -1.379000 27.033000 60 " " D L 2 "ASP " " OD2" 8 -1 0 1 46.69 937 60 + 938 43 0.114000 -4.091000 24.987000 60 " " D L 2 "ASP " " H " 1 0 0 1 26.95 938 60 + 939 41 -1.538000 -3.124000 26.972000 60 " " D L 2 "ASP " " HA " 1 0 0 1 28.99 939 60 + 940 41 -0.590000 -0.851000 26.014000 60 " " D L 2 "ASP " " HB3" 1 0 0 1 35.72 940 60 + 941 41 0.338000 -1.883000 24.963000 60 " " D L 2 "ASP " " HB2" 1 0 0 1 35.72 941 60 + 942 25 -2.764000 -2.483000 24.018000 61 " " R L 2 "ARG " " N " 7 0 0 1 25.2 942 61 + 943 3 -3.918000 -1.896000 23.338000 61 " " R L 2 "ARG " " CA " 6 0 0 1 24.61 943 61 + 944 2 -5.264000 -2.414000 23.854000 61 " " R L 2 "ARG " " C " 6 0 0 1 24.18 944 61 + 945 15 -6.285000 -1.764000 23.621000 61 " " R L 2 "ARG " " O " 8 0 0 1 22.59 945 61 + 946 3 -3.807000 -2.004000 21.803000 61 " " R L 2 "ARG " " CB " 6 0 0 1 24.81 946 61 + 947 3 -3.966000 -3.394000 21.225000 61 " " R L 2 "ARG " " CG " 6 0 0 1 27.55 947 61 + 948 3 -3.866000 -3.360000 19.699000 61 " " R L 2 "ARG " " CD " 6 0 0 1 25.72 948 61 + 949 25 -3.865000 -4.696000 19.115000 61 " " R L 2 "ARG " " NE " 7 0 0 1 27.54 949 61 + 950 2 -2.812000 -5.508000 19.103000 61 " " R L 2 "ARG " " CZ " 6 0 0 1 31.49 950 61 + 951 25 -1.653000 -5.113000 19.635000 61 " " R L 2 "ARG " " NH1" 7 0 0 1 28 951 61 + 952 31 -2.907000 -6.711000 18.544000 61 " " R L 2 "ARG " " NH2" 7 1 0 1 28.05 952 61 + 953 43 -2.130000 -3.074000 23.500000 61 " " R L 2 "ARG " " H " 1 0 0 1 25.2 953 61 + 954 41 -3.895000 -0.831000 23.569000 61 " " R L 2 "ARG " " HA " 1 0 0 1 24.61 954 61 + 955 41 -2.852000 -1.588000 21.481000 61 " " R L 2 "ARG " " HB3" 1 0 0 1 24.81 955 61 + 956 41 -4.536000 -1.337000 21.342000 61 " " R L 2 "ARG " " HB2" 1 0 0 1 24.81 956 61 + 957 41 -4.935000 -3.800000 21.516000 61 " " R L 2 "ARG " " HG3" 1 0 0 1 27.55 957 61 + 958 41 -3.188000 -4.045000 21.625000 61 " " R L 2 "ARG " " HG2" 1 0 0 1 27.55 958 61 + 959 41 -2.956000 -2.836000 19.407000 61 " " R L 2 "ARG " " HD3" 1 0 0 1 25.72 959 61 + 960 41 -4.701000 -2.788000 19.294000 61 " " R L 2 "ARG " " HD2" 1 0 0 1 25.72 960 61 + 961 43 -4.737000 -4.993000 18.701000 61 " " R L 2 "ARG " " HE " 1 0 0 1 27.54 961 61 + 962 43 -0.855000 -5.732000 19.624000 61 " " R L 2 "ARG " "HH12" 1 0 0 1 28 962 61 + 963 43 -1.574000 -4.195000 20.048000 61 " " R L 2 "ARG " "HH11" 1 0 0 1 28 963 61 + 964 44 -2.107000 -7.328000 18.535000 61 " " R L 2 "ARG " "HH22" 1 0 0 1 28.05 964 61 + 965 44 -3.779000 -7.008000 18.129000 61 " " R L 2 "ARG " "HH21" 1 0 0 1 28.05 965 61 + 966 25 -5.250000 -3.558000 24.560000 62 " " F L 2 "PHE " " N " 7 0 2 1 22.21 966 62 + 967 3 -6.451000 -4.156000 25.145000 62 " " F L 2 "PHE " " CA " 6 0 2 1 22.6 967 62 + 968 2 -6.578000 -3.751000 26.604000 62 " " F L 2 "PHE " " C " 6 0 2 1 25.4 968 62 + 969 15 -5.656000 -3.970000 27.395000 62 " " F L 2 "PHE " " O " 8 0 2 1 24.82 969 62 + 970 3 -6.415000 -5.694000 25.067000 62 " " F L 2 "PHE " " CB " 6 0 2 1 23.69 970 62 + 971 2 -6.336000 -6.240000 23.668000 62 " " F L 2 "PHE " " CG " 6 0 2 1 25.37 971 62 + 972 2 -7.459000 -6.272000 22.854000 62 " " F L 2 "PHE " " CD1" 6 0 2 1 25.54 972 62 + 973 2 -5.138000 -6.745000 23.171000 62 " " F L 2 "PHE " " CD2" 6 0 2 1 27.05 973 62 + 974 2 -7.388000 -6.790000 21.558000 62 " " F L 2 "PHE " " CE1" 6 0 2 1 25.22 974 62 + 975 2 -5.060000 -7.262000 21.869000 62 " " F L 2 "PHE " " CE2" 6 0 2 1 30.19 975 62 + 976 2 -6.198000 -7.283000 21.066000 62 " " F L 2 "PHE " " CZ " 6 0 2 1 23.41 976 62 + 977 43 -4.380000 -4.049000 24.709000 62 " " F L 2 "PHE " " H " 1 0 2 1 22.21 977 62 + 978 41 -7.325000 -3.796000 24.602000 62 " " F L 2 "PHE " " HA " 1 0 2 1 22.6 978 62 + 979 41 -7.295000 -6.102000 25.565000 62 " " F L 2 "PHE " " HB3" 1 0 2 1 23.69 979 62 + 980 41 -5.571000 -6.065000 25.648000 62 " " F L 2 "PHE " " HB2" 1 0 2 1 23.69 980 62 + 981 41 -8.402000 -5.894000 23.220000 62 " " F L 2 "PHE " " HD1" 1 0 2 1 25.54 981 62 + 982 41 -4.253000 -6.742000 23.790000 62 " " F L 2 "PHE " " HD2" 1 0 2 1 27.05 982 62 + 983 41 -8.269000 -6.806000 20.934000 62 " " F L 2 "PHE " " HE1" 1 0 2 1 25.22 983 62 + 984 41 -4.121000 -7.641000 21.494000 62 " " F L 2 "PHE " " HE2" 1 0 2 1 30.19 984 62 + 985 41 -6.152000 -7.682000 20.064000 62 " " F L 2 "PHE " " HZ " 1 0 2 1 23.41 985 62 + 986 25 -7.717000 -3.163000 26.961000 63 " " T L 2 "THR " " N " 7 0 2 1 21.72 986 63 + 987 3 -8.011000 -2.836000 28.358000 63 " " T L 2 "THR " " CA " 6 0 2 1 23.34 987 63 + 988 2 -9.451000 -3.201000 28.708000 63 " " T L 2 "THR " " C " 6 0 2 1 22.5 988 63 + 989 15 -10.301000 -3.340000 27.826000 63 " " T L 2 "THR " " O " 8 0 2 1 24.01 989 63 + 990 3 -7.773000 -1.334000 28.688000 63 " " T L 2 "THR " " CB " 6 0 2 1 26.61 990 63 + 991 16 -8.678000 -0.522000 27.929000 63 " " T L 2 "THR " " OG1" 8 0 2 1 22.64 991 63 + 992 3 -6.338000 -0.896000 28.385000 63 " " T L 2 "THR " " CG2" 6 0 2 1 25.48 992 63 + 993 43 -8.406000 -2.930000 26.260000 63 " " T L 2 "THR " " H " 1 0 2 1 21.72 993 63 + 994 41 -7.350000 -3.429000 28.990000 63 " " T L 2 "THR " " HA " 1 0 2 1 23.34 994 63 + 995 41 -7.969000 -1.175000 29.748000 63 " " T L 2 "THR " " HB " 1 0 2 1 26.61 995 63 + 996 42 -9.582000 -0.757000 28.151000 63 " " T L 2 "THR " " HG1" 1 0 2 1 22.64 996 63 + 997 41 -6.220000 0.159000 28.631000 63 " " T L 2 "THR " "HG21" 1 0 2 1 25.48 997 63 + 998 41 -5.643000 -1.488000 28.981000 63 " " T L 2 "THR " "HG22" 1 0 2 1 25.48 998 63 + 999 41 -6.127000 -1.047000 27.326000 63 " " T L 2 "THR " "HG23" 1 0 2 1 25.48 999 63 + 1000 25 -9.713000 -3.381000 29.997000 64 " " G L 2 "GLY " " N " 7 0 2 1 23.38 1000 64 + 1001 3 -11.077000 -3.524000 30.495000 64 " " G L 2 "GLY " " CA " 6 0 2 1 24.13 1001 64 + 1002 2 -11.296000 -2.592000 31.674000 64 " " G L 2 "GLY " " C " 6 0 2 1 21.51 1002 64 + 1003 15 -10.353000 -2.243000 32.382000 64 " " G L 2 "GLY " " O " 8 0 2 1 20.49 1003 64 + 1004 43 -8.957000 -3.422000 30.665000 64 " " G L 2 "GLY " " H " 1 0 2 1 23.38 1004 64 + 1005 41 -11.242000 -4.554000 30.811000 64 " " G L 2 "GLY " " HA3" 1 0 2 1 24.13 1005 64 + 1006 41 -11.781000 -3.276000 29.701000 64 " " G L 2 "GLY " " HA2" 1 0 2 1 24.13 1006 64 + 1007 25 -12.539000 -2.177000 31.882000 65 " " S L 2 "SER " " N " 7 0 2 1 19.96 1007 65 + 1008 3 -12.895000 -1.380000 33.052000 65 " " S L 2 "SER " " CA " 6 0 2 1 21.15 1008 65 + 1009 2 -14.311000 -1.692000 33.495000 65 " " S L 2 "SER " " C " 6 0 2 1 20.15 1009 65 + 1010 15 -15.072000 -2.347000 32.776000 65 " " S L 2 "SER " " O " 8 0 2 1 22.36 1010 65 + 1011 3 -12.747000 0.124000 32.765000 65 " " S L 2 "SER " " CB " 6 0 2 1 26.77 1011 65 + 1012 16 -13.649000 0.532000 31.752000 65 " " S L 2 "SER " " OG " 8 0 2 1 29.91 1012 65 + 1013 43 -13.267000 -2.411000 31.222000 65 " " S L 2 "SER " " H " 1 0 2 1 19.96 1013 65 + 1014 41 -12.217000 -1.642000 33.864000 65 " " S L 2 "SER " " HA " 1 0 2 1 21.15 1014 65 + 1015 41 -11.726000 0.334000 32.448000 65 " " S L 2 "SER " " HB3" 1 0 2 1 26.77 1015 65 + 1016 41 -12.945000 0.689000 33.676000 65 " " S L 2 "SER " " HB2" 1 0 2 1 26.77 1016 65 + 1017 42 -13.468000 0.043000 30.946000 65 " " S L 2 "SER " " HG " 1 0 2 1 29.91 1017 65 + 1018 25 -14.656000 -1.222000 34.689000 66 " " G L 2 "GLY " " N " 7 0 2 1 26.32 1018 66 + 1019 3 -16.004000 -1.376000 35.213000 66 " " G L 2 "GLY " " CA " 6 0 2 1 23.52 1019 66 + 1020 2 -16.083000 -2.156000 36.507000 66 " " G L 2 "GLY " " C " 6 0 2 1 20.79 1020 66 + 1021 15 -15.174000 -2.905000 36.869000 66 " " G L 2 "GLY " " O " 8 0 2 1 22.02 1021 66 + 1022 43 -13.974000 -0.743000 35.259000 66 " " G L 2 "GLY " " H " 1 0 2 1 26.32 1022 66 + 1023 41 -16.631000 -1.858000 34.462000 66 " " G L 2 "GLY " " HA3" 1 0 2 1 23.52 1023 66 + 1024 41 -16.450000 -0.392000 35.357000 66 " " G L 2 "GLY " " HA2" 1 0 2 1 23.52 1024 66 + 1025 25 -17.200000 -1.980000 37.193000 67 " " Y L 2 "TYR " " N " 7 0 2 1 22.24 1025 67 + 1026 3 -17.471000 -2.659000 38.447000 67 " " Y L 2 "TYR " " CA " 6 0 2 1 25.46 1026 67 + 1027 2 -18.972000 -2.663000 38.617000 67 " " Y L 2 "TYR " " C " 6 0 2 1 27.81 1027 67 + 1028 15 -19.612000 -1.621000 38.441000 67 " " Y L 2 "TYR " " O " 8 0 2 1 30.01 1028 67 + 1029 3 -16.830000 -1.928000 39.634000 67 " " Y L 2 "TYR " " CB " 6 0 2 1 27.21 1029 67 + 1030 2 -17.052000 -2.658000 40.945000 67 " " Y L 2 "TYR " " CG " 6 0 2 1 27.77 1030 67 + 1031 2 -16.103000 -3.558000 41.429000 67 " " Y L 2 "TYR " " CD1" 6 0 2 1 27.37 1031 67 + 1032 2 -18.229000 -2.476000 41.676000 67 " " Y L 2 "TYR " " CD2" 6 0 2 1 26.22 1032 67 + 1033 2 -16.314000 -4.252000 42.616000 67 " " Y L 2 "TYR " " CE1" 6 0 2 1 28.69 1033 67 + 1034 2 -18.452000 -3.166000 42.860000 67 " " Y L 2 "TYR " " CE2" 6 0 2 1 29.32 1034 67 + 1035 2 -17.487000 -4.052000 43.321000 67 " " Y L 2 "TYR " " CZ " 6 0 2 1 29.35 1035 67 + 1036 16 -17.696000 -4.736000 44.491000 67 " " Y L 2 "TYR " " OH " 8 0 2 1 31.95 1036 67 + 1037 43 -17.910000 -1.350000 36.848000 67 " " Y L 2 "TYR " " H " 1 0 2 1 22.24 1037 67 + 1038 41 -17.101000 -3.683000 38.400000 67 " " Y L 2 "TYR " " HA " 1 0 2 1 25.46 1038 67 + 1039 41 -17.242000 -0.921000 39.705000 67 " " Y L 2 "TYR " " HB3" 1 0 2 1 27.21 1039 67 + 1040 41 -15.760000 -1.818000 39.457000 67 " " Y L 2 "TYR " " HB2" 1 0 2 1 27.21 1040 67 + 1041 41 -15.188000 -3.725000 40.880000 67 " " Y L 2 "TYR " " HD1" 1 0 2 1 27.37 1041 67 + 1042 41 -18.984000 -1.789000 41.322000 67 " " Y L 2 "TYR " " HD2" 1 0 2 1 26.22 1042 67 + 1043 41 -15.565000 -4.940000 42.980000 67 " " Y L 2 "TYR " " HE1" 1 0 2 1 28.69 1043 67 + 1044 41 -19.368000 -3.011000 43.411000 67 " " Y L 2 "TYR " " HE2" 1 0 2 1 29.32 1044 67 + 1045 42 -16.941000 -5.301000 44.671000 67 " " Y L 2 "TYR " " HH " 1 0 2 1 31.95 1045 67 + 1046 25 -19.528000 -3.829000 38.935000 68 " " G L 2 "GLY " " N " 7 0 0 1 21.09 1046 68 + 1047 3 -20.930000 -3.943000 39.329000 68 " " G L 2 "GLY " " CA " 6 0 0 1 21.64 1047 68 + 1048 2 -21.769000 -4.518000 38.211000 68 " " G L 2 "GLY " " C " 6 0 0 1 24.97 1048 68 + 1049 15 -21.841000 -5.731000 38.050000 68 " " G L 2 "GLY " " O " 8 0 0 1 23.02 1049 68 + 1050 43 -18.977000 -4.675000 38.909000 68 " " G L 2 "GLY " " H " 1 0 0 1 21.09 1050 68 + 1051 41 -21.312000 -2.959000 39.600000 68 " " G L 2 "GLY " " HA3" 1 0 0 1 21.64 1051 68 + 1052 41 -21.009000 -4.583000 40.208000 68 " " G L 2 "GLY " " HA2" 1 0 0 1 21.64 1052 68 + 1053 25 -22.391000 -3.639000 37.422000 69 " " T L 2 "THR " " N " 7 0 0 1 24.22 1053 69 + 1054 3 -23.201000 -4.066000 36.282000 69 " " T L 2 "THR " " CA " 6 0 0 1 23.38 1054 69 + 1055 2 -22.655000 -3.606000 34.920000 69 " " T L 2 "THR " " C " 6 0 0 1 25.94 1055 69 + 1056 15 -22.911000 -4.254000 33.907000 69 " " T L 2 "THR " " O " 8 0 0 1 26.95 1056 69 + 1057 3 -24.665000 -3.584000 36.409000 69 " " T L 2 "THR " " CB " 6 0 0 1 24.59 1057 69 + 1058 16 -24.683000 -2.160000 36.499000 69 " " T L 2 "THR " " OG1" 8 0 0 1 23.62 1058 69 + 1059 3 -25.337000 -4.181000 37.650000 69 " " T L 2 "THR " " CG2" 6 0 0 1 27.98 1059 69 + 1060 43 -22.309000 -2.649000 37.605000 69 " " T L 2 "THR " " H " 1 0 0 1 24.22 1060 69 + 1061 41 -23.214000 -5.156000 36.279000 69 " " T L 2 "THR " " HA " 1 0 0 1 23.38 1061 69 + 1062 41 -25.219000 -3.891000 35.522000 69 " " T L 2 "THR " " HB " 1 0 0 1 24.59 1062 69 + 1063 42 -24.507000 -1.782000 35.634000 69 " " T L 2 "THR " " HG1" 1 0 0 1 23.62 1063 69 + 1064 41 -26.365000 -3.825000 37.714000 69 " " T L 2 "THR " "HG21" 1 0 0 1 27.98 1064 69 + 1065 41 -25.334000 -5.269000 37.578000 69 " " T L 2 "THR " "HG22" 1 0 0 1 27.98 1065 69 + 1066 41 -24.791000 -3.875000 38.542000 69 " " T L 2 "THR " "HG23" 1 0 0 1 27.98 1066 69 + 1067 25 -21.910000 -2.500000 34.897000 70 " " D L 2 "ASP " " N " 7 0 2 1 22.84 1067 70 + 1068 3 -21.477000 -1.897000 33.623000 70 " " D L 2 "ASP " " CA " 6 0 2 1 25.77 1068 70 + 1069 2 -20.000000 -2.097000 33.351000 70 " " D L 2 "ASP " " C " 6 0 2 1 23.67 1069 70 + 1070 15 -19.161000 -1.650000 34.125000 70 " " D L 2 "ASP " " O " 8 0 2 1 26.46 1070 70 + 1071 3 -21.773000 -0.391000 33.598000 70 " " D L 2 "ASP " " CB " 6 0 2 1 28.59 1071 70 + 1072 2 -23.252000 -0.072000 33.691000 70 " " D L 2 "ASP " " CG " 6 0 2 1 35.65 1072 70 + 1073 15 -24.094000 -0.994000 33.612000 70 " " D L 2 "ASP " " OD1" 8 0 2 1 34.92 1073 70 + 1074 18 -23.566000 1.128000 33.839000 70 " " D L 2 "ASP " " OD2" 8 -1 2 1 40.19 1074 70 + 1075 43 -21.632000 -2.060000 35.763000 70 " " D L 2 "ASP " " H " 1 0 2 1 22.84 1075 70 + 1076 41 -22.038000 -2.367000 32.816000 70 " " D L 2 "ASP " " HA " 1 0 2 1 25.77 1076 70 + 1077 41 -21.366000 0.043000 32.685000 70 " " D L 2 "ASP " " HB3" 1 0 2 1 28.59 1077 70 + 1078 41 -21.246000 0.095000 34.419000 70 " " D L 2 "ASP " " HB2" 1 0 2 1 28.59 1078 70 + 1079 25 -19.692000 -2.741000 32.230000 71 " " F L 2 "PHE " " N " 7 0 2 1 21.59 1079 71 + 1080 3 -18.313000 -3.112000 31.901000 71 " " F L 2 "PHE " " CA " 6 0 2 1 23.35 1080 71 + 1081 2 -17.984000 -2.735000 30.466000 71 " " F L 2 "PHE " " C " 6 0 2 1 24.48 1081 71 + 1082 15 -18.839000 -2.815000 29.576000 71 " " F L 2 "PHE " " O " 8 0 2 1 22.97 1082 71 + 1083 3 -18.066000 -4.610000 32.142000 71 " " F L 2 "PHE " " CB " 6 0 2 1 19.61 1083 71 + 1084 2 -18.331000 -5.044000 33.570000 71 " " F L 2 "PHE " " CG " 6 0 2 1 20.92 1084 71 + 1085 2 -17.335000 -4.954000 34.544000 71 " " F L 2 "PHE " " CD1" 6 0 2 1 21.65 1085 71 + 1086 2 -19.588000 -5.515000 33.938000 71 " " F L 2 "PHE " " CD2" 6 0 2 1 19.52 1086 71 + 1087 2 -17.579000 -5.340000 35.858000 71 " " F L 2 "PHE " " CE1" 6 0 2 1 18.82 1087 71 + 1088 2 -19.847000 -5.908000 35.248000 71 " " F L 2 "PHE " " CE2" 6 0 2 1 17.75 1088 71 + 1089 2 -18.846000 -5.811000 36.216000 71 " " F L 2 "PHE " " CZ " 6 0 2 1 16.39 1089 71 + 1090 43 -20.419000 -2.990000 31.574000 71 " " F L 2 "PHE " " H " 1 0 2 1 21.59 1090 71 + 1091 41 -17.648000 -2.551000 32.557000 71 " " F L 2 "PHE " " HA " 1 0 2 1 23.35 1091 71 + 1092 41 -17.038000 -4.855000 31.874000 71 " " F L 2 "PHE " " HB3" 1 0 2 1 19.61 1092 71 + 1093 41 -18.690000 -5.193000 31.465000 71 " " F L 2 "PHE " " HB2" 1 0 2 1 19.61 1093 71 + 1094 41 -16.356000 -4.580000 34.282000 71 " " F L 2 "PHE " " HD1" 1 0 2 1 21.65 1094 71 + 1095 41 -20.377000 -5.579000 33.203000 71 " " F L 2 "PHE " " HD2" 1 0 2 1 19.52 1095 71 + 1096 41 -16.792000 -5.275000 36.595000 71 " " F L 2 "PHE " " HE1" 1 0 2 1 18.82 1096 71 + 1097 41 -20.822000 -6.288000 35.515000 71 " " F L 2 "PHE " " HE2" 1 0 2 1 17.75 1097 71 + 1098 41 -19.047000 -6.098000 37.238000 71 " " F L 2 "PHE " " HZ " 1 0 2 1 16.39 1098 71 + 1099 25 -16.742000 -2.313000 30.264000 72 " " T L 2 "THR " " N " 7 0 2 1 22.53 1099 72 + 1100 3 -16.285000 -1.822000 28.972000 72 " " T L 2 "THR " " CA " 6 0 2 1 21.99 1100 72 + 1101 2 -14.978000 -2.503000 28.604000 72 " " T L 2 "THR " " C " 6 0 2 1 23.77 1101 72 + 1102 15 -14.057000 -2.589000 29.424000 72 " " T L 2 "THR " " O " 8 0 2 1 25.2 1102 72 + 1103 3 -16.088000 -0.296000 29.006000 72 " " T L 2 "THR " " CB " 6 0 2 1 23.88 1103 72 + 1104 16 -17.295000 0.327000 29.461000 72 " " T L 2 "THR " " OG1" 8 0 2 1 24.52 1104 72 + 1105 3 -15.763000 0.247000 27.616000 72 " " T L 2 "THR " " CG2" 6 0 2 1 27.08 1105 72 + 1106 43 -16.075000 -2.325000 31.022000 72 " " T L 2 "THR " " H " 1 0 2 1 22.53 1106 72 + 1107 41 -17.034000 -2.064000 28.218000 72 " " T L 2 "THR " " HA " 1 0 2 1 21.99 1107 72 + 1108 41 -15.275000 -0.051000 29.689000 72 " " T L 2 "THR " " HB " 1 0 2 1 23.88 1108 72 + 1109 42 -17.506000 0.011000 30.342000 72 " " T L 2 "THR " " HG1" 1 0 2 1 24.52 1109 72 + 1110 41 -15.629000 1.327000 27.670000 72 " " T L 2 "THR " "HG21" 1 0 2 1 27.08 1110 72 + 1111 41 -14.846000 -0.215000 27.250000 72 " " T L 2 "THR " "HG22" 1 0 2 1 27.08 1111 72 + 1112 41 -16.582000 0.016000 26.935000 72 " " T L 2 "THR " "HG23" 1 0 2 1 27.08 1112 72 + 1113 25 -14.920000 -2.991000 27.369000 73 " " F L 2 "PHE " " N " 7 0 2 1 21.51 1113 73 + 1114 3 -13.707000 -3.577000 26.803000 73 " " F L 2 "PHE " " CA " 6 0 2 1 20.02 1114 73 + 1115 2 -13.301000 -2.680000 25.647000 73 " " F L 2 "PHE " " C " 6 0 2 1 22.78 1115 73 + 1116 15 -14.127000 -2.370000 24.785000 73 " " F L 2 "PHE " " O " 8 0 2 1 22.62 1116 73 + 1117 3 -13.995000 -4.998000 26.300000 73 " " F L 2 "PHE " " CB " 6 0 2 1 21.22 1117 73 + 1118 2 -12.851000 -5.627000 25.545000 73 " " F L 2 "PHE " " CG " 6 0 2 1 19.76 1118 73 + 1119 2 -11.818000 -6.274000 26.231000 73 " " F L 2 "PHE " " CD1" 6 0 2 1 21.92 1119 73 + 1120 2 -12.814000 -5.583000 24.157000 73 " " F L 2 "PHE " " CD2" 6 0 2 1 20.48 1120 73 + 1121 2 -10.757000 -6.856000 25.546000 73 " " F L 2 "PHE " " CE1" 6 0 2 1 23.92 1121 73 + 1122 2 -11.749000 -6.158000 23.454000 73 " " F L 2 "PHE " " CE2" 6 0 2 1 24.96 1122 73 + 1123 2 -10.719000 -6.793000 24.151000 73 " " F L 2 "PHE " " CZ " 6 0 2 1 22.99 1123 73 + 1124 43 -15.738000 -2.966000 26.777000 73 " " F L 2 "PHE " " H " 1 0 2 1 21.51 1124 73 + 1125 41 -12.917000 -3.599000 27.554000 73 " " F L 2 "PHE " " HA " 1 0 2 1 20.02 1125 73 + 1126 41 -14.882000 -4.984000 25.666000 73 " " F L 2 "PHE " " HB3" 1 0 2 1 21.22 1126 73 + 1127 41 -14.263000 -5.633000 27.145000 73 " " F L 2 "PHE " " HB2" 1 0 2 1 21.22 1127 73 + 1128 41 -11.836000 -6.327000 27.310000 73 " " F L 2 "PHE " " HD1" 1 0 2 1 21.92 1128 73 + 1129 41 -13.612000 -5.102000 23.611000 73 " " F L 2 "PHE " " HD2" 1 0 2 1 20.48 1129 73 + 1130 41 -9.969000 -7.353000 26.092000 73 " " F L 2 "PHE " " HE1" 1 0 2 1 23.92 1130 73 + 1131 41 -11.725000 -6.110000 22.375000 73 " " F L 2 "PHE " " HE2" 1 0 2 1 24.96 1131 73 + 1132 41 -9.894000 -7.235000 23.613000 73 " " F L 2 "PHE " " HZ " 1 0 2 1 22.99 1132 73 + 1133 25 -12.032000 -2.279000 25.627000 74 " " T L 2 "THR " " N " 7 0 2 1 22.56 1133 74 + 1134 3 -11.528000 -1.336000 24.637000 74 " " T L 2 "THR " " CA " 6 0 2 1 24.07 1134 74 + 1135 2 -10.275000 -1.863000 23.916000 74 " " T L 2 "THR " " C " 6 0 2 1 25.43 1135 74 + 1136 15 -9.359000 -2.392000 24.539000 74 " " T L 2 "THR " " O " 8 0 2 1 23.89 1136 74 + 1137 3 -11.203000 0.039000 25.308000 74 " " T L 2 "THR " " CB " 6 0 2 1 24.7 1137 74 + 1138 16 -12.374000 0.560000 25.965000 74 " " T L 2 "THR " " OG1" 8 0 2 1 25.09 1138 74 + 1139 3 -10.713000 1.047000 24.297000 74 " " T L 2 "THR " " CG2" 6 0 2 1 24.43 1139 74 + 1140 43 -11.381000 -2.630000 26.314000 74 " " T L 2 "THR " " H " 1 0 2 1 22.56 1140 74 + 1141 41 -12.307000 -1.176000 23.892000 74 " " T L 2 "THR " " HA " 1 0 2 1 24.07 1141 74 + 1142 41 -10.423000 -0.113000 26.054000 74 " " T L 2 "THR " " HB " 1 0 2 1 24.7 1142 74 + 1143 42 -12.665000 -0.058000 26.640000 74 " " T L 2 "THR " " HG1" 1 0 2 1 25.09 1143 74 + 1144 41 -10.497000 1.990000 24.799000 74 " " T L 2 "THR " "HG21" 1 0 2 1 24.43 1144 74 + 1145 41 -9.806000 0.674000 23.821000 74 " " T L 2 "THR " "HG22" 1 0 2 1 24.43 1145 74 + 1146 41 -11.481000 1.206000 23.540000 74 " " T L 2 "THR " "HG23" 1 0 2 1 24.43 1146 74 + 1147 25 -10.245000 -1.716000 22.598000 75 " " I L 2 "ILE " " N " 7 0 2 1 23.71 1147 75 + 1148 3 -8.999000 -1.854000 21.860000 75 " " I L 2 "ILE " " CA " 6 0 2 1 22.33 1148 75 + 1149 2 -8.652000 -0.436000 21.393000 75 " " I L 2 "ILE " " C " 6 0 2 1 20.78 1149 75 + 1150 15 -9.394000 0.163000 20.618000 75 " " I L 2 "ILE " " O " 8 0 2 1 22.46 1150 75 + 1151 3 -9.095000 -2.827000 20.651000 75 " " I L 2 "ILE " " CB " 6 0 2 1 21.28 1151 75 + 1152 3 -9.874000 -4.113000 21.008000 75 " " I L 2 "ILE " " CG1" 6 0 2 1 21.76 1152 75 + 1153 3 -7.689000 -3.162000 20.156000 75 " " I L 2 "ILE " " CG2" 6 0 2 1 21.92 1153 75 + 1154 3 -10.165000 -5.037000 19.792000 75 " " I L 2 "ILE " " CD1" 6 0 2 1 23.06 1154 75 + 1155 43 -11.094000 -1.505000 22.094000 75 " " I L 2 "ILE " " H " 1 0 2 1 23.71 1155 75 + 1156 41 -8.221000 -2.205000 22.538000 75 " " I L 2 "ILE " " HA " 1 0 2 1 22.33 1156 75 + 1157 41 -9.627000 -2.319000 19.847000 75 " " I L 2 "ILE " " HB " 1 0 2 1 21.28 1157 75 + 1158 41 -10.814000 -3.844000 21.490000 75 " " I L 2 "ILE " "HG13" 1 0 2 1 21.76 1158 75 + 1159 41 -9.321000 -4.672000 21.763000 75 " " I L 2 "ILE " "HG12" 1 0 2 1 21.76 1159 75 + 1160 41 -7.755000 -3.844000 19.308000 75 " " I L 2 "ILE " "HG21" 1 0 2 1 21.92 1160 75 + 1161 41 -7.184000 -2.247000 19.847000 75 " " I L 2 "ILE " "HG22" 1 0 2 1 21.92 1161 75 + 1162 41 -7.124000 -3.635000 20.959000 75 " " I L 2 "ILE " "HG23" 1 0 2 1 21.92 1162 75 + 1163 41 -10.714000 -5.917000 20.127000 75 " " I L 2 "ILE " "HD11" 1 0 2 1 23.06 1163 75 + 1164 41 -10.761000 -4.495000 19.058000 75 " " I L 2 "ILE " "HD12" 1 0 2 1 23.06 1164 75 + 1165 41 -9.224000 -5.348000 19.338000 75 " " I L 2 "ILE " "HD13" 1 0 2 1 23.06 1165 75 + 1166 25 -7.544000 0.105000 21.893000 76 " " S L 2 "SER " " N " 7 0 0 1 22.78 1166 76 + 1167 3 -7.211000 1.520000 21.682000 76 " " S L 2 "SER " " CA " 6 0 0 1 24.91 1167 76 + 1168 2 -6.943000 1.844000 20.216000 76 " " S L 2 "SER " " C " 6 0 0 1 26.64 1168 76 + 1169 15 -7.461000 2.835000 19.679000 76 " " S L 2 "SER " " O " 8 0 0 1 27.37 1169 76 + 1170 3 -6.019000 1.923000 22.549000 76 " " S L 2 "SER " " CB " 6 0 0 1 26.92 1170 76 + 1171 16 -4.903000 1.097000 22.268000 76 " " S L 2 "SER " " OG " 8 0 0 1 27.84 1171 76 + 1172 43 -6.906000 -0.461000 22.434000 76 " " S L 2 "SER " " H " 1 0 0 1 22.78 1172 76 + 1173 41 -8.068000 2.113000 22.001000 76 " " S L 2 "SER " " HA " 1 0 0 1 24.91 1173 76 + 1174 41 -6.286000 1.826000 23.601000 76 " " S L 2 "SER " " HB3" 1 0 0 1 26.92 1174 76 + 1175 41 -5.760000 2.963000 22.350000 76 " " S L 2 "SER " " HB2" 1 0 0 1 26.92 1175 76 + 1176 42 -4.162000 1.361000 22.819000 76 " " S L 2 "SER " " HG " 1 0 0 1 27.84 1176 76 + 1177 25 -6.127000 1.006000 19.580000 77 " " T L 2 "THR " " N " 7 0 0 1 26.14 1177 77 + 1178 3 -5.816000 1.118000 18.161000 77 " " T L 2 "THR " " CA " 6 0 0 1 28.54 1178 77 + 1179 2 -5.895000 -0.277000 17.580000 77 " " T L 2 "THR " " C " 6 0 0 1 24.35 1179 77 + 1180 15 -4.973000 -1.073000 17.750000 77 " " T L 2 "THR " " O " 8 0 0 1 24.08 1180 77 + 1181 3 -4.387000 1.693000 17.914000 77 " " T L 2 "THR " " CB " 6 0 0 1 31.83 1181 77 + 1182 16 -3.411000 0.868000 18.574000 77 " " T L 2 "THR " " OG1" 8 0 0 1 32.67 1182 77 + 1183 3 -4.276000 3.102000 18.436000 77 " " T L 2 "THR " " CG2" 6 0 0 1 31.09 1183 77 + 1184 43 -5.690000 0.247000 20.083000 77 " " T L 2 "THR " " H " 1 0 0 1 26.14 1184 77 + 1185 41 -6.554000 1.757000 17.676000 77 " " T L 2 "THR " " HA " 1 0 0 1 28.54 1185 77 + 1186 41 -4.185000 1.694000 16.843000 77 " " T L 2 "THR " " HB " 1 0 0 1 31.83 1186 77 + 1187 42 -3.660000 -0.055000 18.486000 77 " " T L 2 "THR " " HG1" 1 0 0 1 32.67 1187 77 + 1188 41 -3.270000 3.480000 18.252000 77 " " T L 2 "THR " "HG21" 1 0 0 1 31.09 1188 77 + 1189 41 -5.001000 3.737000 17.927000 77 " " T L 2 "THR " "HG22" 1 0 0 1 31.09 1189 77 + 1190 41 -4.476000 3.110000 19.507000 77 " " T L 2 "THR " "HG23" 1 0 0 1 31.09 1190 77 + 1191 25 -7.003000 -0.585000 16.910000 78 " " V L 2 "VAL " " N " 7 0 0 1 25.11 1191 78 + 1192 3 -7.232000 -1.953000 16.422000 78 " " V L 2 "VAL " " CA " 6 0 0 1 24.03 1192 78 + 1193 2 -6.254000 -2.315000 15.293000 78 " " V L 2 "VAL " " C " 6 0 0 1 24.01 1193 78 + 1194 15 -5.901000 -1.479000 14.455000 78 " " V L 2 "VAL " " O " 8 0 0 1 24.27 1194 78 + 1195 3 -8.719000 -2.198000 16.029000 78 " " V L 2 "VAL " " CB " 6 0 0 1 24.17 1195 78 + 1196 3 -9.046000 -1.526000 14.733000 78 " " V L 2 "VAL " " CG1" 6 0 0 1 26.25 1196 78 + 1197 3 -9.035000 -3.705000 15.939000 78 " " V L 2 "VAL " " CG2" 6 0 0 1 26.31 1197 78 + 1198 43 -7.699000 0.125000 16.731000 78 " " V L 2 "VAL " " H " 1 0 0 1 25.11 1198 78 + 1199 41 -7.013000 -2.623000 17.253000 78 " " V L 2 "VAL " " HA " 1 0 0 1 24.03 1199 78 + 1200 41 -9.351000 -1.765000 16.805000 78 " " V L 2 "VAL " " HB " 1 0 0 1 24.17 1200 78 + 1201 41 -10.090000 -1.712000 14.480000 78 " " V L 2 "VAL " "HG11" 1 0 0 1 26.25 1201 78 + 1202 41 -8.881000 -0.453000 14.828000 78 " " V L 2 "VAL " "HG12" 1 0 0 1 26.25 1202 78 + 1203 41 -8.406000 -1.923000 13.945000 78 " " V L 2 "VAL " "HG13" 1 0 0 1 26.25 1203 78 + 1204 41 -10.081000 -3.842000 15.663000 78 " " V L 2 "VAL " "HG21" 1 0 0 1 26.31 1204 78 + 1205 41 -8.397000 -4.166000 15.185000 78 " " V L 2 "VAL " "HG22" 1 0 0 1 26.31 1205 78 + 1206 41 -8.851000 -4.174000 16.906000 78 " " V L 2 "VAL " "HG23" 1 0 0 1 26.31 1206 78 + 1207 25 -5.810000 -3.570000 15.308000 79 " " Q L 2 "GLN " " N " 7 0 0 1 23.13 1207 79 + 1208 3 -4.868000 -4.092000 14.325000 79 " " Q L 2 "GLN " " CA " 6 0 0 0.5 22.17 1208 79 + 1209 2 -5.572000 -5.139000 13.472000 79 " " Q L 2 "GLN " " C " 6 0 0 1 21.37 1209 79 + 1210 15 -6.585000 -5.692000 13.888000 79 " " Q L 2 "GLN " " O " 8 0 0 1 20.14 1210 79 + 1211 3 -3.657000 -4.718000 15.031000 79 " " Q L 2 "GLN " " CB " 6 0 0 0.5 21.64 1211 79 + 1212 3 -2.845000 -3.743000 15.899000 79 " " Q L 2 "GLN " " CG " 6 0 0 0.5 24.2 1212 79 + 1213 2 -2.369000 -2.513000 15.140000 79 " " Q L 2 "GLN " " CD " 6 0 0 0.5 25.7 1213 79 + 1214 15 -1.783000 -2.616000 14.059000 79 " " Q L 2 "GLN " " OE1" 8 0 0 0.5 28.98 1214 79 + 1215 25 -2.621000 -1.337000 15.709000 79 " " Q L 2 "GLN " " NE2" 7 0 0 0.5 24.12 1215 79 + 1216 43 -6.126000 -4.209000 16.024000 79 " " Q L 2 "GLN " " H " 1 0 0 1 23.13 1216 79 + 1217 41 -4.529000 -3.277000 13.685000 79 " " Q L 2 "GLN " " HA " 1 0 0 1 22.17 1217 79 + 1218 41 -3.001000 -5.172000 14.288000 79 " " Q L 2 "GLN " " HB3" 1 0 0 1 21.64 1218 79 + 1219 41 -3.990000 -5.556000 15.644000 79 " " Q L 2 "GLN " " HB2" 1 0 0 1 21.64 1219 79 + 1220 41 -1.985000 -4.264000 16.320000 79 " " Q L 2 "GLN " " HG3" 1 0 0 1 24.2 1220 79 + 1221 41 -3.447000 -3.431000 16.753000 79 " " Q L 2 "GLN " " HG2" 1 0 0 1 24.2 1221 79 + 1222 43 -2.330000 -0.483000 15.254000 79 " " Q L 2 "GLN " "HE22" 1 0 0 1 24.12 1222 79 + 1223 43 -3.103000 -1.298000 16.596000 79 " " Q L 2 "GLN " "HE21" 1 0 0 1 24.12 1223 79 + 1224 25 -5.029000 -5.412000 12.291000 80 " " A L 2 "ALA " " N " 7 0 0 1 22.46 1224 80 + 1225 3 -5.632000 -6.395000 11.375000 80 " " A L 2 "ALA " " CA " 6 0 0 1 20.8 1225 80 + 1226 2 -5.862000 -7.754000 12.046000 80 " " A L 2 "ALA " " C " 6 0 0 1 20.87 1226 80 + 1227 15 -6.875000 -8.413000 11.802000 80 " " A L 2 "ALA " " O " 8 0 0 1 20.17 1227 80 + 1228 3 -4.786000 -6.540000 10.129000 80 " " A L 2 "ALA " " CB " 6 0 0 1 21.84 1228 80 + 1229 43 -4.183000 -4.941000 12.003000 80 " " A L 2 "ALA " " H " 1 0 0 1 22.46 1229 80 + 1230 41 -6.605000 -6.009000 11.070000 80 " " A L 2 "ALA " " HA " 1 0 0 1 20.8 1230 80 + 1231 41 -5.244000 -7.270000 9.461000 80 " " A L 2 "ALA " " HB1" 1 0 0 1 21.84 1231 80 + 1232 41 -4.717000 -5.578000 9.622000 80 " " A L 2 "ALA " " HB2" 1 0 0 1 21.84 1232 80 + 1233 41 -3.787000 -6.877000 10.405000 80 " " A L 2 "ALA " " HB3" 1 0 0 1 21.84 1233 80 + 1234 25 -4.948000 -8.155000 12.927000 81 " " E L 2 "GLU " " N " 7 0 0 1 18.53 1234 81 + 1235 3 -5.047000 -9.461000 13.567000 81 " " E L 2 "GLU " " CA " 6 0 0 1 19.4 1235 81 + 1236 2 -6.080000 -9.556000 14.673000 81 " " E L 2 "GLU " " C " 6 0 0 1 20.32 1236 81 + 1237 15 -6.323000 -10.651000 15.184000 81 " " E L 2 "GLU " " O " 8 0 0 1 21.91 1237 81 + 1238 3 -3.693000 -9.947000 14.079000 81 " " E L 2 "GLU " " CB " 6 0 0 1 25.19 1238 81 + 1239 3 -3.069000 -9.045000 15.119000 81 " " E L 2 "GLU " " CG " 6 0 0 1 30.09 1239 81 + 1240 2 -2.085000 -8.040000 14.526000 81 " " E L 2 "GLU " " CD " 6 0 0 1 35.43 1240 81 + 1241 15 -2.281000 -7.538000 13.374000 81 " " E L 2 "GLU " " OE1" 8 0 0 1 31.34 1241 81 + 1242 18 -1.098000 -7.747000 15.238000 81 " " E L 2 "GLU " " OE2" 8 -1 0 1 35.48 1242 81 + 1243 43 -4.172000 -7.551000 13.160000 81 " " E L 2 "GLU " " H " 1 0 0 1 18.53 1243 81 + 1244 41 -5.356000 -10.163000 12.793000 81 " " E L 2 "GLU " " HA " 1 0 0 1 19.4 1244 81 + 1245 41 -3.008000 -10.058000 13.239000 81 " " E L 2 "GLU " " HB3" 1 0 0 1 25.19 1245 81 + 1246 41 -3.801000 -10.951000 14.489000 81 " " E L 2 "GLU " " HB2" 1 0 0 1 25.19 1246 81 + 1247 41 -2.559000 -9.653000 15.867000 81 " " E L 2 "GLU " " HG3" 1 0 0 1 30.09 1247 81 + 1248 41 -3.855000 -8.511000 15.653000 81 " " E L 2 "GLU " " HG2" 1 0 0 1 30.09 1248 81 + 1249 25 -6.677000 -8.421000 15.049000 82 " " D L 2 "ASP " " N " 7 0 0 1 18.02 1249 82 + 1250 3 -7.664000 -8.409000 16.114000 82 " " D L 2 "ASP " " CA " 6 0 0 1 19.68 1250 82 + 1251 2 -9.070000 -8.799000 15.645000 82 " " D L 2 "ASP " " C " 6 0 0 1 21.15 1251 82 + 1252 15 -10.000000 -8.841000 16.455000 82 " " D L 2 "ASP " " O " 8 0 0 1 20.25 1252 82 + 1253 3 -7.707000 -7.048000 16.833000 82 " " D L 2 "ASP " " CB " 6 0 0 1 22.29 1253 82 + 1254 2 -6.359000 -6.625000 17.407000 82 " " D L 2 "ASP " " CG " 6 0 0 1 24.44 1254 82 + 1255 15 -5.523000 -7.491000 17.762000 82 " " D L 2 "ASP " " OD1" 8 0 0 1 24.48 1255 82 + 1256 18 -6.140000 -5.398000 17.505000 82 " " D L 2 "ASP " " OD2" 8 -1 0 1 22.96 1256 82 + 1257 43 -6.444000 -7.552000 14.590000 82 " " D L 2 "ASP " " H " 1 0 0 1 18.02 1257 82 + 1258 41 -7.353000 -9.151000 16.849000 82 " " D L 2 "ASP " " HA " 1 0 0 1 19.68 1258 82 + 1259 41 -8.446000 -7.085000 17.634000 82 " " D L 2 "ASP " " HB3" 1 0 0 1 22.29 1259 82 + 1260 41 -8.061000 -6.284000 16.141000 82 " " D L 2 "ASP " " HB2" 1 0 0 1 22.29 1260 82 + 1261 25 -9.239000 -9.102000 14.359000 83 " " L L 2 "LEU " " N " 7 0 0 1 18.84 1261 83 + 1262 3 -10.537000 -9.611000 13.914000 83 " " L L 2 "LEU " " CA " 6 0 0 1 20.93 1262 83 + 1263 2 -10.883000 -10.891000 14.688000 83 " " L L 2 "LEU " " C " 6 0 0 1 20.64 1263 83 + 1264 15 -10.064000 -11.829000 14.771000 83 " " L L 2 "LEU " " O " 8 0 0 1 19.77 1264 83 + 1265 3 -10.607000 -9.780000 12.391000 83 " " L L 2 "LEU " " CB " 6 0 0 1 27.51 1265 83 + 1266 3 -9.961000 -10.915000 11.615000 83 " " L L 2 "LEU " " CG " 6 0 0 1 29.71 1266 83 + 1267 3 -10.916000 -12.073000 11.493000 83 " " L L 2 "LEU " " CD1" 6 0 0 1 33.88 1267 83 + 1268 3 -9.628000 -10.428000 10.231000 83 " " L L 2 "LEU " " CD2" 6 0 0 1 30.34 1268 83 + 1269 43 -8.477000 -8.979000 13.707000 83 " " L L 2 "LEU " " H " 1 0 0 1 18.84 1269 83 + 1270 41 -11.282000 -8.863000 14.186000 83 " " L L 2 "LEU " " HA " 1 0 0 1 20.93 1270 83 + 1271 41 -10.317000 -8.837000 11.927000 83 " " L L 2 "LEU " " HB3" 1 0 0 1 27.51 1271 83 + 1272 41 -11.650000 -9.704000 12.084000 83 " " L L 2 "LEU " " HB2" 1 0 0 1 27.51 1272 83 + 1273 41 -9.052000 -11.238000 12.122000 83 " " L L 2 "LEU " " HG " 1 0 0 1 29.71 1273 83 + 1274 41 -10.441000 -12.879000 10.935000 83 " " L L 2 "LEU " "HD11" 1 0 0 1 33.88 1274 83 + 1275 41 -11.185000 -12.429000 12.487000 83 " " L L 2 "LEU " "HD12" 1 0 0 1 33.88 1275 83 + 1276 41 -11.815000 -11.750000 10.968000 83 " " L L 2 "LEU " "HD13" 1 0 0 1 33.88 1276 83 + 1277 41 -9.163000 -11.234000 9.664000 83 " " L L 2 "LEU " "HD21" 1 0 0 1 30.34 1277 83 + 1278 41 -10.541000 -10.110000 9.728000 83 " " L L 2 "LEU " "HD22" 1 0 0 1 30.34 1278 83 + 1279 41 -8.938000 -9.587000 10.297000 83 " " L L 2 "LEU " "HD23" 1 0 0 1 30.34 1279 83 + 1280 25 -12.078000 -10.917000 15.278000 84 " " A L 2 "ALA " " N " 7 0 2 1 20.06 1280 84 + 1281 3 -12.433000 -11.968000 16.240000 84 " " A L 2 "ALA " " CA " 6 0 2 1 19.03 1281 84 + 1282 2 -13.832000 -11.705000 16.732000 84 " " A L 2 "ALA " " C " 6 0 2 1 21.87 1282 84 + 1283 15 -14.369000 -10.625000 16.496000 84 " " A L 2 "ALA " " O " 8 0 2 1 20.61 1283 84 + 1284 3 -11.452000 -11.949000 17.438000 84 " " A L 2 "ALA " " CB " 6 0 2 1 22.18 1284 84 + 1285 43 -12.761000 -10.204000 15.066000 84 " " A L 2 "ALA " " H " 1 0 2 1 20.06 1285 84 + 1286 41 -12.394000 -12.941000 15.750000 84 " " A L 2 "ALA " " HA " 1 0 2 1 19.03 1286 84 + 1287 41 -11.725000 -12.733000 18.145000 84 " " A L 2 "ALA " " HB1" 1 0 2 1 22.18 1287 84 + 1288 41 -10.437000 -12.121000 17.080000 84 " " A L 2 "ALA " " HB2" 1 0 2 1 22.18 1288 84 + 1289 41 -11.502000 -10.980000 17.934000 84 " " A L 2 "ALA " " HB3" 1 0 2 1 22.18 1289 84 + 1290 25 -14.420000 -12.693000 17.413000 85 " " V L 2 "VAL " " N " 7 0 2 1 21.86 1290 85 + 1291 3 -15.591000 -12.452000 18.257000 85 " " V L 2 "VAL " " CA " 6 0 2 1 18.37 1291 85 + 1292 2 -15.097000 -12.341000 19.694000 85 " " V L 2 "VAL " " C " 6 0 2 1 21.85 1292 85 + 1293 15 -14.343000 -13.201000 20.168000 85 " " V L 2 "VAL " " O " 8 0 2 1 21.95 1293 85 + 1294 3 -16.635000 -13.563000 18.142000 85 " " V L 2 "VAL " " CB " 6 0 2 1 20.4 1294 85 + 1295 3 -17.837000 -13.278000 19.050000 85 " " V L 2 "VAL " " CG1" 6 0 2 1 19.66 1295 85 + 1296 3 -17.065000 -13.745000 16.671000 85 " " V L 2 "VAL " " CG2" 6 0 2 1 22.53 1296 85 + 1297 43 -14.057000 -13.634000 17.352000 85 " " V L 2 "VAL " " H " 1 0 2 1 21.86 1297 85 + 1298 41 -16.048000 -11.506000 17.966000 85 " " V L 2 "VAL " " HA " 1 0 2 1 18.37 1298 85 + 1299 41 -16.175000 -14.493000 18.475000 85 " " V L 2 "VAL " " HB " 1 0 2 1 20.4 1299 85 + 1300 41 -18.566000 -14.082000 18.951000 85 " " V L 2 "VAL " "HG11" 1 0 2 1 19.66 1300 85 + 1301 41 -17.504000 -13.216000 20.086000 85 " " V L 2 "VAL " "HG12" 1 0 2 1 19.66 1301 85 + 1302 41 -18.297000 -12.333000 18.759000 85 " " V L 2 "VAL " "HG13" 1 0 2 1 19.66 1302 85 + 1303 41 -17.809000 -14.539000 16.605000 85 " " V L 2 "VAL " "HG21" 1 0 2 1 22.53 1303 85 + 1304 41 -17.494000 -12.814000 16.300000 85 " " V L 2 "VAL " "HG22" 1 0 2 1 22.53 1304 85 + 1305 41 -16.196000 -14.010000 16.068000 85 " " V L 2 "VAL " "HG23" 1 0 2 1 22.53 1305 85 + 1306 25 -15.500000 -11.265000 20.358000 86 " " Y L 2 "TYR " " N " 7 0 2 1 18.98 1306 86 + 1307 3 -15.120000 -10.999000 21.739000 86 " " Y L 2 "TYR " " CA " 6 0 2 1 18.44 1307 86 + 1308 2 -16.310000 -11.318000 22.644000 86 " " Y L 2 "TYR " " C " 6 0 2 1 20.03 1308 86 + 1309 15 -17.455000 -10.966000 22.316000 86 " " Y L 2 "TYR " " O " 8 0 2 1 23.76 1309 86 + 1310 3 -14.673000 -9.533000 21.890000 86 " " Y L 2 "TYR " " CB " 6 0 2 1 19.47 1310 86 + 1311 2 -13.392000 -9.256000 21.139000 86 " " Y L 2 "TYR " " CG " 6 0 2 1 19.36 1311 86 + 1312 2 -13.408000 -8.946000 19.777000 86 " " Y L 2 "TYR " " CD1" 6 0 2 1 18.33 1312 86 + 1313 2 -12.161000 -9.354000 21.779000 86 " " Y L 2 "TYR " " CD2" 6 0 2 1 20.43 1313 86 + 1314 2 -12.203000 -8.715000 19.068000 86 " " Y L 2 "TYR " " CE1" 6 0 2 1 17.45 1314 86 + 1315 2 -10.968000 -9.126000 21.098000 86 " " Y L 2 "TYR " " CE2" 6 0 2 1 19.93 1315 86 + 1316 2 -10.997000 -8.814000 19.745000 86 " " Y L 2 "TYR " " CZ " 6 0 2 1 16.4 1316 86 + 1317 16 -9.812000 -8.608000 19.079000 86 " " Y L 2 "TYR " " OH " 8 0 2 1 19.97 1317 86 + 1318 43 -16.097000 -10.587000 19.906000 86 " " Y L 2 "TYR " " H " 1 0 2 1 18.98 1318 86 + 1319 41 -14.288000 -11.650000 22.007000 86 " " Y L 2 "TYR " " HA " 1 0 2 1 18.44 1319 86 + 1320 41 -14.531000 -9.304000 22.946000 86 " " Y L 2 "TYR " " HB3" 1 0 2 1 19.47 1320 86 + 1321 41 -15.459000 -8.874000 21.521000 86 " " Y L 2 "TYR " " HB2" 1 0 2 1 19.47 1321 86 + 1322 41 -14.348000 -8.879000 19.249000 86 " " Y L 2 "TYR " " HD1" 1 0 2 1 18.33 1322 86 + 1323 41 -12.116000 -9.612000 22.827000 86 " " Y L 2 "TYR " " HD2" 1 0 2 1 20.43 1323 86 + 1324 41 -12.234000 -8.466000 18.017000 86 " " Y L 2 "TYR " " HE1" 1 0 2 1 17.45 1324 86 + 1325 41 -10.026000 -9.192000 21.622000 86 " " Y L 2 "TYR " " HE2" 1 0 2 1 19.93 1325 86 + 1326 42 -9.993000 -8.406000 18.158000 86 " " Y L 2 "TYR " " HH " 1 0 2 1 19.97 1326 86 + 1327 25 -16.041000 -11.973000 23.773000 87 " " F L 2 "PHE " " N " 7 0 2 1 19.89 1327 87 + 1328 3 -17.103000 -12.368000 24.717000 87 " " F L 2 "PHE " " CA " 6 0 2 1 22.04 1328 87 + 1329 2 -16.786000 -11.897000 26.126000 87 " " F L 2 "PHE " " C " 6 0 2 1 23.59 1329 87 + 1330 15 -15.628000 -12.000000 26.578000 87 " " F L 2 "PHE " " O " 8 0 2 1 22.97 1330 87 + 1331 3 -17.239000 -13.897000 24.815000 87 " " F L 2 "PHE " " CB " 6 0 2 1 26.2 1331 87 + 1332 2 -17.651000 -14.585000 23.546000 87 " " F L 2 "PHE " " CG " 6 0 2 1 28.04 1332 87 + 1333 2 -19.005000 -14.772000 23.237000 87 " " F L 2 "PHE " " CD1" 6 0 2 1 24.85 1333 87 + 1334 2 -16.683000 -15.109000 22.688000 87 " " F L 2 "PHE " " CD2" 6 0 2 1 24.24 1334 87 + 1335 2 -19.386000 -15.451000 22.064000 87 " " F L 2 "PHE " " CE1" 6 0 2 1 26.31 1335 87 + 1336 2 -17.049000 -15.786000 21.502000 87 " " F L 2 "PHE " " CE2" 6 0 2 1 25.34 1336 87 + 1337 2 -18.401000 -15.972000 21.199000 87 " " F L 2 "PHE " " CZ " 6 0 2 1 24.59 1337 87 + 1338 43 -15.087000 -12.213000 24.003000 87 " " F L 2 "PHE " " H " 1 0 2 1 19.89 1338 87 + 1339 41 -18.052000 -11.939000 24.396000 87 " " F L 2 "PHE " " HA " 1 0 2 1 22.04 1339 87 + 1340 41 -17.947000 -14.146000 25.606000 87 " " F L 2 "PHE " " HB3" 1 0 2 1 26.2 1340 87 + 1341 41 -16.298000 -14.321000 25.166000 87 " " F L 2 "PHE " " HB2" 1 0 2 1 26.2 1341 87 + 1342 41 -19.768000 -14.394000 23.901000 87 " " F L 2 "PHE " " HD1" 1 0 2 1 24.85 1342 87 + 1343 41 -15.635000 -15.000000 22.926000 87 " " F L 2 "PHE " " HD2" 1 0 2 1 24.24 1343 87 + 1344 41 -20.432000 -15.573000 21.826000 87 " " F L 2 "PHE " " HE1" 1 0 2 1 26.31 1344 87 + 1345 41 -16.285000 -16.157000 20.834000 87 " " F L 2 "PHE " " HE2" 1 0 2 1 25.34 1345 87 + 1346 41 -18.693000 -16.510000 20.310000 87 " " F L 2 "PHE " " HZ " 1 0 2 1 24.59 1346 87 + 1347 25 -17.799000 -11.410000 26.842000 88 " " C L 2 "CYS " " N " 7 0 2 1 20.36 1347 88 + 1348 3 -17.646000 -11.257000 28.293000 88 " " C L 2 "CYS " " CA " 6 0 2 1 21.84 1348 88 + 1349 2 -18.198000 -12.488000 29.013000 88 " " C L 2 "CYS " " C " 6 0 2 1 22.85 1349 88 + 1350 15 -19.000000 -13.255000 28.451000 88 " " C L 2 "CYS " " O " 8 0 2 1 22.24 1350 88 + 1351 3 -18.308000 -9.959000 28.791000 88 " " C L 2 "CYS " " CB " 6 0 2 1 24.39 1351 88 + 1352 49 -20.091000 -9.910000 28.543000 88 " " C L 2 "CYS " " SG " 16 0 2 1 26.38 1352 88 + 1353 43 -18.661000 -11.150000 26.385000 88 " " C L 2 "CYS " " H " 1 0 2 1 20.36 1353 88 + 1354 41 -16.580000 -11.193000 28.511000 88 " " C L 2 "CYS " " HA " 1 0 2 1 21.84 1354 88 + 1355 41 -17.850000 -9.105000 28.292000 88 " " C L 2 "CYS " " HB3" 1 0 2 1 24.39 1355 88 + 1356 41 -18.086000 -9.823000 29.850000 88 " " C L 2 "CYS " " HB2" 1 0 2 1 24.39 1356 88 + 1357 25 -17.740000 -12.709000 30.246000 89 " " Q L 2 "GLN " " N " 7 0 2 1 19.9 1357 89 + 1358 3 -18.259000 -13.788000 31.059000 89 " " Q L 2 "GLN " " CA " 6 0 2 1 18.99 1358 89 + 1359 2 -18.214000 -13.347000 32.505000 89 " " Q L 2 "GLN " " C " 6 0 2 1 19.22 1359 89 + 1360 15 -17.182000 -12.844000 32.958000 89 " " Q L 2 "GLN " " O " 8 0 2 1 21.88 1360 89 + 1361 3 -17.404000 -15.066000 30.914000 89 " " Q L 2 "GLN " " CB " 6 0 2 1 20.43 1361 89 + 1362 3 -17.917000 -16.246000 31.750000 89 " " Q L 2 "GLN " " CG " 6 0 2 1 19.18 1362 89 + 1363 2 -16.810000 -17.049000 32.452000 89 " " Q L 2 "GLN " " CD " 6 0 2 1 24.61 1363 89 + 1364 15 -15.681000 -17.239000 31.784000 89 " " Q L 2 "GLN " " OE1" 8 0 2 1 27.95 1364 89 + 1365 25 -16.975000 -17.471000 33.601000 89 " " Q L 2 "GLN " " NE2" 7 0 2 1 19.95 1365 89 + 1366 43 -17.017000 -12.118000 30.630000 89 " " Q L 2 "GLN " " H " 1 0 2 1 19.9 1366 89 + 1367 41 -19.289000 -14.001000 30.772000 89 " " Q L 2 "GLN " " HA " 1 0 2 1 18.99 1367 89 + 1368 41 -16.374000 -14.846000 31.193000 89 " " Q L 2 "GLN " " HB3" 1 0 2 1 20.43 1368 89 + 1369 41 -17.364000 -15.357000 29.864000 89 " " Q L 2 "GLN " " HB2" 1 0 2 1 20.43 1369 89 + 1370 41 -18.499000 -16.913000 31.114000 89 " " Q L 2 "GLN " " HG3" 1 0 2 1 19.18 1370 89 + 1371 41 -18.625000 -15.881000 32.494000 89 " " Q L 2 "GLN " " HG2" 1 0 2 1 19.18 1371 89 + 1372 43 -16.243000 -17.998000 34.055000 89 " " Q L 2 "GLN " "HE22" 1 0 2 1 19.95 1372 89 + 1373 43 -17.842000 -17.289000 34.086000 89 " " Q L 2 "GLN " "HE21" 1 0 2 1 19.95 1373 89 + 1374 25 -19.305000 -13.572000 33.228000 90 " " Q L 2 "GLN " " N " 7 0 2 1 18.26 1374 90 + 1375 3 -19.306000 -13.387000 34.687000 90 " " Q L 2 "GLN " " CA " 6 0 2 1 21.35 1375 90 + 1376 2 -19.155000 -14.714000 35.433000 90 " " Q L 2 "GLN " " C " 6 0 2 1 22.8 1376 90 + 1377 15 -19.644000 -15.754000 34.979000 90 " " Q L 2 "GLN " " O " 8 0 2 1 18 1377 90 + 1378 3 -20.565000 -12.647000 35.181000 90 " " Q L 2 "GLN " " CB " 6 0 2 1 20.66 1378 90 + 1379 3 -21.924000 -13.419000 35.048000 90 " " Q L 2 "GLN " " CG " 6 0 2 1 22.08 1379 90 + 1380 2 -22.228000 -14.363000 36.225000 90 " " Q L 2 "GLN " " CD " 6 0 2 1 19.24 1380 90 + 1381 15 -21.806000 -14.127000 37.352000 90 " " Q L 2 "GLN " " OE1" 8 0 2 1 19.24 1381 90 + 1382 25 -22.975000 -15.435000 35.952000 90 " " Q L 2 "GLN " " NE2" 7 0 2 1 20.78 1382 90 + 1383 43 -20.156000 -13.876000 32.777000 90 " " Q L 2 "GLN " " H " 1 0 2 1 18.26 1383 90 + 1384 41 -18.444000 -12.770000 34.939000 90 " " Q L 2 "GLN " " HA " 1 0 2 1 21.35 1384 90 + 1385 41 -20.644000 -11.689000 34.666000 90 " " Q L 2 "GLN " " HB3" 1 0 2 1 20.66 1385 90 + 1386 41 -20.422000 -12.348000 36.219000 90 " " Q L 2 "GLN " " HB2" 1 0 2 1 20.66 1386 90 + 1387 41 -21.927000 -13.988000 34.118000 90 " " Q L 2 "GLN " " HG3" 1 0 2 1 22.08 1387 90 + 1388 41 -22.738000 -12.702000 34.940000 90 " " Q L 2 "GLN " " HG2" 1 0 2 1 22.08 1388 90 + 1389 43 -23.206000 -16.089000 36.686000 90 " " Q L 2 "GLN " "HE22" 1 0 2 1 20.78 1389 90 + 1390 43 -23.309000 -15.592000 35.012000 90 " " Q L 2 "GLN " "HE21" 1 0 2 1 20.78 1390 90 + 1391 25 -18.488000 -14.679000 36.584000 91 " " D L 2 "ASP " " N " 7 0 0 1 18.2 1391 91 + 1392 3 -18.499000 -15.854000 37.466000 91 " " D L 2 "ASP " " CA " 6 0 0 1 18.3 1392 91 + 1393 2 -18.825000 -15.483000 38.905000 91 " " D L 2 "ASP " " C " 6 0 0 1 16.88 1393 91 + 1394 15 -18.479000 -16.204000 39.841000 91 " " D L 2 "ASP " " O " 8 0 0 1 19.33 1394 91 + 1395 3 -17.206000 -16.680000 37.354000 91 " " D L 2 "ASP " " CB " 6 0 0 1 24.62 1395 91 + 1396 2 -16.022000 -16.015000 38.025000 91 " " D L 2 "ASP " " CG " 6 0 0 1 23.38 1396 91 + 1397 15 -15.446000 -16.634000 38.952000 91 " " D L 2 "ASP " " OD1" 8 0 0 1 25.68 1397 91 + 1398 16 -15.663000 -14.889000 37.619000 91 " " D L 2 "ASP " " OD2" 8 0 0 1 28.85 1398 91 + 1399 43 -17.978000 -13.848000 36.847000 91 " " D L 2 "ASP " " H " 1 0 0 1 18.2 1399 91 + 1400 41 -19.309000 -16.496000 37.119000 91 " " D L 2 "ASP " " HA " 1 0 0 1 18.3 1400 91 + 1401 41 -16.976000 -16.853000 36.303000 91 " " D L 2 "ASP " " HB3" 1 0 0 1 24.62 1401 91 + 1402 41 -17.366000 -17.664000 37.794000 91 " " D L 2 "ASP " " HB2" 1 0 0 1 24.62 1402 91 + 1403 42 -14.797000 -14.546000 38.205000 91 " " D L 2 "ASP " " HD2" 1 0 0 1 28.85 1403 91 + 1404 25 -19.535000 -14.367000 39.080000 92 " " Y L 2 "TYR " " N " 7 0 0 1 17.1 1404 92 + 1405 3 -20.003000 -13.988000 40.413000 92 " " Y L 2 "TYR " " CA " 6 0 0 1 16.48 1405 92 + 1406 2 -21.072000 -14.959000 40.918000 92 " " Y L 2 "TYR " " C " 6 0 0 1 18.02 1406 92 + 1407 15 -20.977000 -15.491000 42.035000 92 " " Y L 2 "TYR " " O " 8 0 0 1 19.77 1407 92 + 1408 3 -20.549000 -12.556000 40.422000 92 " " Y L 2 "TYR " " CB " 6 0 0 1 21.74 1408 92 + 1409 2 -20.952000 -12.078000 41.799000 92 " " Y L 2 "TYR " " CG " 6 0 0 1 19.16 1409 92 + 1410 2 -19.992000 -11.603000 42.692000 92 " " Y L 2 "TYR " " CD1" 6 0 0 1 18.99 1410 92 + 1411 2 -22.290000 -12.105000 42.209000 92 " " Y L 2 "TYR " " CD2" 6 0 0 1 18.7 1411 92 + 1412 2 -20.347000 -11.173000 43.958000 92 " " Y L 2 "TYR " " CE1" 6 0 0 1 20.83 1412 92 + 1413 2 -22.660000 -11.665000 43.491000 92 " " Y L 2 "TYR " " CE2" 6 0 0 1 21.23 1413 92 + 1414 2 -21.671000 -11.198000 44.348000 92 " " Y L 2 "TYR " " CZ " 6 0 0 1 23.26 1414 92 + 1415 16 -21.983000 -10.763000 45.606000 92 " " Y L 2 "TYR " " OH " 8 0 0 1 22.9 1415 92 + 1416 43 -19.753000 -13.778000 38.289000 92 " " Y L 2 "TYR " " H " 1 0 0 1 17.1 1416 92 + 1417 41 -19.155000 -14.032000 41.096000 92 " " Y L 2 "TYR " " HA " 1 0 0 1 16.48 1417 92 + 1418 41 -21.406000 -12.491000 39.751000 92 " " Y L 2 "TYR " " HB3" 1 0 0 1 21.74 1418 92 + 1419 41 -19.800000 -11.880000 40.009000 92 " " Y L 2 "TYR " " HB2" 1 0 0 1 21.74 1419 92 + 1420 41 -18.953000 -11.567000 42.399000 92 " " Y L 2 "TYR " " HD1" 1 0 0 1 18.99 1420 92 + 1421 41 -23.054000 -12.467000 41.537000 92 " " Y L 2 "TYR " " HD2" 1 0 0 1 18.7 1421 92 + 1422 41 -19.589000 -10.818000 44.640000 92 " " Y L 2 "TYR " " HE1" 1 0 0 1 20.83 1422 92 + 1423 41 -23.696000 -11.694000 43.794000 92 " " Y L 2 "TYR " " HE2" 1 0 0 1 21.23 1423 92 + 1424 42 -21.206000 -10.819000 46.167000 92 " " Y L 2 "TYR " " HH " 1 0 0 1 22.9 1424 92 + 1425 25 -22.093000 -15.168000 40.092000 93 " " G L 2 "GLY " " N " 7 0 0 1 18.99 1425 93 + 1426 3 -23.190000 -16.078000 40.404000 93 " " G L 2 "GLY " " CA " 6 0 0 1 21.26 1426 93 + 1427 2 -22.971000 -17.417000 39.727000 93 " " G L 2 "GLY " " C " 6 0 0 1 23.42 1427 93 + 1428 15 -22.155000 -17.539000 38.813000 93 " " G L 2 "GLY " " O " 8 0 0 1 22.39 1428 93 + 1429 43 -22.132000 -14.687000 39.205000 93 " " G L 2 "GLY " " H " 1 0 0 1 18.99 1429 93 + 1430 41 -24.129000 -15.646000 40.059000 93 " " G L 2 "GLY " " HA3" 1 0 0 1 21.26 1430 93 + 1431 41 -23.247000 -16.222000 41.483000 93 " " G L 2 "GLY " " HA2" 1 0 0 1 21.26 1431 93 + 1432 25 -23.689000 -18.427000 40.200000 94 " " S L 2 "SER " " N " 7 0 0 1 20.67 1432 94 + 1433 3 -23.618000 -19.756000 39.618000 94 " " S L 2 "SER " " CA " 6 0 0 1 23.59 1433 94 + 1434 2 -24.926000 -20.000000 38.892000 94 " " S L 2 "SER " " C " 6 0 0 1 23.08 1434 94 + 1435 15 -25.987000 -19.740000 39.455000 94 " " S L 2 "SER " " O " 8 0 0 1 23.53 1435 94 + 1436 3 -23.417000 -20.818000 40.703000 94 " " S L 2 "SER " " CB " 6 0 0 1 27.08 1436 94 + 1437 16 -23.110000 -22.064000 40.106000 94 " " S L 2 "SER " " OG " 8 0 0 1 30.36 1437 94 + 1438 43 -24.307000 -18.283000 40.986000 94 " " S L 2 "SER " " H " 1 0 0 1 20.67 1438 94 + 1439 41 -22.793000 -19.800000 38.907000 94 " " S L 2 "SER " " HA " 1 0 0 1 23.59 1439 94 + 1440 41 -24.329000 -20.913000 41.292000 94 " " S L 2 "SER " " HB3" 1 0 0 1 27.08 1440 94 + 1441 41 -22.599000 -20.518000 41.358000 94 " " S L 2 "SER " " HB2" 1 0 0 1 27.08 1441 94 + 1442 42 -23.832000 -22.331000 39.532000 94 " " S L 2 "SER " " HG " 1 0 0 1 30.36 1442 94 + 1443 25 -24.863000 -20.488000 37.634000 95 " " P L 2 "PRO " " N " 7 0 0 1 19.41 1443 95 + 1444 3 -23.674000 -20.844000 36.881000 95 " " P L 2 "PRO " " CA " 6 0 0 1 18.03 1444 95 + 1445 2 -22.969000 -19.635000 36.262000 95 " " P L 2 "PRO " " C " 6 0 0 1 19.56 1445 95 + 1446 15 -23.593000 -18.571000 36.098000 95 " " P L 2 "PRO " " O " 8 0 0 1 21.35 1446 95 + 1447 3 -24.242000 -21.710000 35.750000 95 " " P L 2 "PRO " " CB " 6 0 0 1 22.31 1447 95 + 1448 3 -25.579000 -21.110000 35.487000 95 " " P L 2 "PRO " " CG " 6 0 0 1 19.34 1448 95 + 1449 3 -26.091000 -20.745000 36.855000 95 " " P L 2 "PRO " " CD " 6 0 0 1 21.33 1449 95 + 1450 41 -22.984000 -21.419000 37.498000 95 " " P L 2 "PRO " " HA " 1 0 0 1 18.03 1450 95 + 1451 41 -24.370000 -22.732000 36.108000 95 " " P L 2 "PRO " " HB3" 1 0 0 1 22.31 1451 95 + 1452 41 -23.617000 -21.600000 34.864000 95 " " P L 2 "PRO " " HB2" 1 0 0 1 22.31 1452 95 + 1453 41 -26.232000 -21.863000 35.047000 95 " " P L 2 "PRO " " HG3" 1 0 0 1 19.34 1453 95 + 1454 41 -25.457000 -20.204000 34.894000 95 " " P L 2 "PRO " " HG2" 1 0 0 1 19.34 1454 95 + 1455 41 -26.674000 -19.827000 36.788000 95 " " P L 2 "PRO " " HD2" 1 0 0 1 21.33 1455 95 + 1456 41 -26.617000 -21.599000 37.283000 95 " " P L 2 "PRO " " HD3" 1 0 0 1 21.33 1456 95 + 1457 25 -21.683000 -19.802000 35.910000 96 " " P L 2 "PRO " " N " 7 0 0 1 21.43 1457 96 + 1458 3 -21.021000 -18.779000 35.105000 96 " " P L 2 "PRO " " CA " 6 0 0 1 19.65 1458 96 + 1459 2 -21.821000 -18.620000 33.807000 96 " " P L 2 "PRO " " C " 6 0 0 1 20.71 1459 96 + 1460 15 -22.408000 -19.598000 33.316000 96 " " P L 2 "PRO " " O " 8 0 0 1 18.38 1460 96 + 1461 3 -19.647000 -19.381000 34.821000 96 " " P L 2 "PRO " " CB " 6 0 0 1 20.54 1461 96 + 1462 3 -19.440000 -20.434000 35.849000 96 " " P L 2 "PRO " " CG " 6 0 0 1 19.77 1462 96 + 1463 3 -20.801000 -20.946000 36.211000 96 " " P L 2 "PRO " " CD " 6 0 0 1 22.41 1463 96 + 1464 41 -20.941000 -17.835000 35.644000 96 " " P L 2 "PRO " " HA " 1 0 0 1 19.65 1464 96 + 1465 41 -18.884000 -18.611000 34.933000 96 " " P L 2 "PRO " " HB3" 1 0 0 1 20.54 1465 96 + 1466 41 -19.649000 -19.837000 33.831000 96 " " P L 2 "PRO " " HB2" 1 0 0 1 20.54 1466 96 + 1467 41 -18.973000 -19.994000 36.730000 96 " " P L 2 "PRO " " HG3" 1 0 0 1 19.77 1467 96 + 1468 41 -18.849000 -21.245000 35.423000 96 " " P L 2 "PRO " " HG2" 1 0 0 1 19.77 1468 96 + 1469 41 -21.057000 -21.780000 35.557000 96 " " P L 2 "PRO " " HD2" 1 0 0 1 22.41 1469 96 + 1470 41 -20.834000 -21.154000 37.280000 96 " " P L 2 "PRO " " HD3" 1 0 0 1 22.41 1470 96 + 1471 25 -21.885000 -17.395000 33.288000 97 " " T L 2 "THR " " N " 7 0 0 1 19.36 1471 97 + 1472 3 -22.665000 -17.103000 32.078000 97 " " T L 2 "THR " " CA " 6 0 0 1 20.56 1472 97 + 1473 2 -21.889000 -16.145000 31.196000 97 " " T L 2 "THR " " C " 6 0 0 1 22.28 1473 97 + 1474 15 -21.127000 -15.328000 31.707000 97 " " T L 2 "THR " " O " 8 0 0 1 21.86 1474 97 + 1475 3 -24.065000 -16.489000 32.381000 97 " " T L 2 "THR " " CB " 6 0 0 1 19.82 1475 97 + 1476 16 -23.933000 -15.334000 33.218000 97 " " T L 2 "THR " " OG1" 8 0 0 1 23.21 1476 97 + 1477 3 -24.994000 -17.512000 33.076000 97 " " T L 2 "THR " " CG2" 6 0 0 1 21.12 1477 97 + 1478 43 -21.388000 -16.634000 33.728000 97 " " T L 2 "THR " " H " 1 0 0 1 19.36 1478 97 + 1479 41 -22.810000 -18.034000 31.530000 97 " " T L 2 "THR " " HA " 1 0 0 1 20.56 1479 97 + 1480 41 -24.523000 -16.186000 31.440000 97 " " T L 2 "THR " " HB " 1 0 0 1 19.82 1480 97 + 1481 42 -24.799000 -14.951000 33.375000 97 " " T L 2 "THR " " HG1" 1 0 0 1 23.21 1481 97 + 1482 41 -25.962000 -17.050000 33.272000 97 " " T L 2 "THR " "HG21" 1 0 0 1 21.12 1482 97 + 1483 41 -25.130000 -18.378000 32.429000 97 " " T L 2 "THR " "HG22" 1 0 0 1 21.12 1483 97 + 1484 41 -24.546000 -17.830000 34.017000 97 " " T L 2 "THR " "HG23" 1 0 0 1 21.12 1484 97 + 1485 25 -22.095000 -16.257000 29.880000 98 " " F L 2 "PHE " " N " 7 0 0 1 22.74 1485 98 + 1486 3 -21.376000 -15.462000 28.880000 98 " " F L 2 "PHE " " CA " 6 0 0 1 20.07 1486 98 + 1487 2 -22.295000 -14.457000 28.200000 98 " " F L 2 "PHE " " C " 6 0 0 1 18 1487 98 + 1488 15 -23.496000 -14.700000 28.060000 98 " " F L 2 "PHE " " O " 8 0 0 1 21.84 1488 98 + 1489 3 -20.804000 -16.385000 27.793000 98 " " F L 2 "PHE " " CB " 6 0 0 1 23.02 1489 98 + 1490 2 -19.735000 -17.328000 28.287000 98 " " F L 2 "PHE " " CG " 6 0 0 1 21.68 1490 98 + 1491 2 -18.385000 -17.076000 28.016000 98 " " F L 2 "PHE " " CD1" 6 0 0 1 22.81 1491 98 + 1492 2 -20.079000 -18.487000 28.978000 98 " " F L 2 "PHE " " CD2" 6 0 0 1 23.24 1492 98 + 1493 2 -17.377000 -17.968000 28.458000 98 " " F L 2 "PHE " " CE1" 6 0 0 1 22.33 1493 98 + 1494 2 -19.088000 -19.372000 29.429000 98 " " F L 2 "PHE " " CE2" 6 0 0 1 23.21 1494 98 + 1495 2 -17.748000 -19.111000 29.165000 98 " " F L 2 "PHE " " CZ " 6 0 0 1 19.9 1495 98 + 1496 43 -22.776000 -16.916000 29.530000 98 " " F L 2 "PHE " " H " 1 0 0 1 22.74 1496 98 + 1497 41 -20.558000 -14.929000 29.365000 98 " " F L 2 "PHE " " HA " 1 0 0 1 20.07 1497 98 + 1498 41 -20.404000 -15.780000 26.979000 98 " " F L 2 "PHE " " HB3" 1 0 0 1 23.02 1498 98 + 1499 41 -21.614000 -16.960000 27.344000 98 " " F L 2 "PHE " " HB2" 1 0 0 1 23.02 1499 98 + 1500 41 -18.101000 -16.193000 27.464000 98 " " F L 2 "PHE " " HD1" 1 0 0 1 22.81 1500 98 + 1501 41 -21.117000 -18.712000 29.172000 98 " " F L 2 "PHE " " HD2" 1 0 0 1 23.24 1501 98 + 1502 41 -16.339000 -17.758000 28.246000 98 " " F L 2 "PHE " " HE1" 1 0 0 1 22.33 1502 98 + 1503 41 -19.366000 -20.257000 29.982000 98 " " F L 2 "PHE " " HE2" 1 0 0 1 23.21 1503 98 + 1504 41 -16.992000 -19.801000 29.512000 98 " " F L 2 "PHE " " HZ " 1 0 0 1 19.9 1504 98 + 1505 25 -21.734000 -13.345000 27.749000 99 " " G L 2 "GLY " " N " 7 0 0 1 22.54 1505 99 + 1506 3 -22.445000 -12.455000 26.811000 99 " " G L 2 "GLY " " CA " 6 0 0 1 22.43 1506 99 + 1507 2 -22.571000 -13.103000 25.433000 99 " " G L 2 "GLY " " C " 6 0 0 1 22.1 1507 99 + 1508 15 -21.965000 -14.154000 25.163000 99 " " G L 2 "GLY " " O " 8 0 0 1 22.87 1508 99 + 1509 43 -20.802000 -13.093000 28.047000 99 " " G L 2 "GLY " " H " 1 0 0 1 22.54 1509 99 + 1510 41 -21.902000 -11.514000 26.721000 99 " " G L 2 "GLY " " HA3" 1 0 0 1 22.43 1510 99 + 1511 41 -23.439000 -12.236000 27.201000 99 " " G L 2 "GLY " " HA2" 1 0 0 1 22.43 1511 99 + 1512 25 -23.341000 -12.478000 24.546000 100 " " G L 2 "GLY " " N " 7 0 0 1 21.6 1512 100 + 1513 3 -23.643000 -13.083000 23.249000 100 " " G L 2 "GLY " " CA " 6 0 0 1 23.91 1513 100 + 1514 2 -22.558000 -12.908000 22.199000 100 " " G L 2 "GLY " " C " 6 0 0 1 26.72 1514 100 + 1515 15 -22.652000 -13.453000 21.098000 100 " " G L 2 "GLY " " O " 8 0 0 1 26.02 1515 100 + 1516 43 -23.728000 -11.571000 24.763000 100 " " G L 2 "GLY " " H " 1 0 0 1 21.6 1516 100 + 1517 41 -24.581000 -12.676000 22.870000 100 " " G L 2 "GLY " " HA3" 1 0 0 1 23.91 1517 100 + 1518 41 -23.846000 -14.145000 23.385000 100 " " G L 2 "GLY " " HA2" 1 0 0 1 23.91 1518 100 + 1519 25 -21.529000 -12.137000 22.525000 101 " " G L 2 "GLY " " N " 7 0 0 1 23.9 1519 101 + 1520 3 -20.441000 -11.913000 21.569000 101 " " G L 2 "GLY " " CA " 6 0 0 1 26.18 1520 101 + 1521 2 -20.562000 -10.625000 20.777000 101 " " G L 2 "GLY " " C " 6 0 0 1 21.67 1521 101 + 1522 15 -21.671000 -10.131000 20.504000 101 " " G L 2 "GLY " " O " 8 0 0 1 21.84 1522 101 + 1523 43 -21.493000 -11.701000 23.435000 101 " " G L 2 "GLY " " H " 1 0 0 1 23.9 1523 101 + 1524 41 -20.386000 -12.756000 20.881000 101 " " G L 2 "GLY " " HA3" 1 0 0 1 26.18 1524 101 + 1525 41 -19.488000 -11.924000 22.098000 101 " " G L 2 "GLY " " HA2" 1 0 0 1 26.18 1525 101 + 1526 25 -19.405000 -10.058000 20.443000 102 " " T L 2 "THR " " N " 7 0 2 1 19.52 1526 102 + 1527 3 -19.298000 -8.945000 19.499000 102 " " T L 2 "THR " " CA " 6 0 2 1 19.39 1527 102 + 1528 2 -18.282000 -9.300000 18.417000 102 " " T L 2 "THR " " C " 6 0 2 1 19.99 1528 102 + 1529 15 -17.118000 -9.563000 18.723000 102 " " T L 2 "THR " " O " 8 0 2 1 19.19 1529 102 + 1530 3 -18.824000 -7.641000 20.188000 102 " " T L 2 "THR " " CB " 6 0 2 1 21.48 1530 102 + 1531 16 -19.761000 -7.246000 21.195000 102 " " T L 2 "THR " " OG1" 8 0 2 1 23.95 1531 102 + 1532 3 -18.669000 -6.526000 19.163000 102 " " T L 2 "THR " " CG2" 6 0 2 1 19.84 1532 102 + 1533 43 -18.543000 -10.394000 20.847000 102 " " T L 2 "THR " " H " 1 0 2 1 19.52 1533 102 + 1534 41 -20.270000 -8.773000 19.036000 102 " " T L 2 "THR " " HA " 1 0 2 1 19.39 1534 102 + 1535 41 -17.858000 -7.823000 20.659000 102 " " T L 2 "THR " " HB " 1 0 2 1 21.48 1535 102 + 1536 42 -20.409000 -6.649000 20.813000 102 " " T L 2 "THR " " HG1" 1 0 2 1 23.95 1536 102 + 1537 41 -18.335000 -5.616000 19.662000 102 " " T L 2 "THR " "HG21" 1 0 2 1 19.84 1537 102 + 1538 41 -17.933000 -6.820000 18.414000 102 " " T L 2 "THR " "HG22" 1 0 2 1 19.84 1538 102 + 1539 41 -19.627000 -6.343000 18.677000 102 " " T L 2 "THR " "HG23" 1 0 2 1 19.84 1539 102 + 1540 25 -18.730000 -9.308000 17.159000 103 " " K L 2 "LYS " " N " 7 0 2 1 19.78 1540 103 + 1541 3 -17.863000 -9.593000 16.019000 103 " " K L 2 "LYS " " CA " 6 0 2 1 21.79 1541 103 + 1542 2 -17.212000 -8.312000 15.524000 103 " " K L 2 "LYS " " C " 6 0 2 1 18.86 1542 103 + 1543 15 -17.893000 -7.345000 15.156000 103 " " K L 2 "LYS " " O " 8 0 2 1 21.05 1543 103 + 1544 3 -18.631000 -10.266000 14.884000 103 " " K L 2 "LYS " " CB " 6 0 2 1 24.31 1544 103 + 1545 3 -17.735000 -10.781000 13.774000 103 " " K L 2 "LYS " " CG " 6 0 2 1 21.92 1545 103 + 1546 3 -18.541000 -11.469000 12.688000 103 " " K L 2 "LYS " " CD " 6 0 2 1 27.02 1546 103 + 1547 3 -17.625000 -12.136000 11.671000 103 " " K L 2 "LYS " " CE " 6 0 2 1 28.41 1547 103 + 1548 32 -18.394000 -12.713000 10.518000 103 " " K L 2 "LYS " " NZ " 7 1 2 1 35.82 1548 103 + 1549 43 -19.702000 -9.112000 16.968000 103 " " K L 2 "LYS " " H " 1 0 2 1 19.78 1549 103 + 1550 41 -17.076000 -10.271000 16.349000 103 " " K L 2 "LYS " " HA " 1 0 2 1 21.79 1550 103 + 1551 41 -19.353000 -9.563000 14.469000 103 " " K L 2 "LYS " " HB3" 1 0 2 1 24.31 1551 103 + 1552 41 -19.221000 -11.090000 15.285000 103 " " K L 2 "LYS " " HB2" 1 0 2 1 24.31 1552 103 + 1553 41 -17.011000 -11.483000 14.188000 103 " " K L 2 "LYS " " HG3" 1 0 2 1 21.92 1553 103 + 1554 41 -17.179000 -9.949000 13.341000 103 " " K L 2 "LYS " " HG2" 1 0 2 1 21.92 1554 103 + 1555 41 -19.170000 -10.736000 12.184000 103 " " K L 2 "LYS " " HD3" 1 0 2 1 27.02 1555 103 + 1556 41 -19.191000 -12.219000 13.138000 103 " " K L 2 "LYS " " HD2" 1 0 2 1 27.02 1556 103 + 1557 41 -17.056000 -12.927000 12.159000 103 " " K L 2 "LYS " " HE3" 1 0 2 1 28.41 1557 103 + 1558 41 -16.905000 -11.407000 11.298000 103 " " K L 2 "LYS " " HE2" 1 0 2 1 28.41 1558 103 + 1559 44 -18.653000 -11.973000 9.881000 103 " " K L 2 "LYS " " HZ1" 1 0 2 1 35.82 1559 103 + 1560 44 -17.820000 -13.388000 10.034000 103 " " K L 2 "LYS " " HZ2" 1 0 2 1 35.82 1560 103 + 1561 44 -19.228000 -13.167000 10.862000 103 " " K L 2 "LYS " " HZ3" 1 0 2 1 35.82 1561 103 + 1562 25 -15.885000 -8.304000 15.574000 104 " " V L 2 "VAL " " N " 7 0 2 1 20.01 1562 104 + 1563 3 -15.091000 -7.170000 15.120000 104 " " V L 2 "VAL " " CA " 6 0 2 1 19.98 1563 104 + 1564 2 -14.525000 -7.552000 13.755000 104 " " V L 2 "VAL " " C " 6 0 2 1 21.17 1564 104 + 1565 15 -13.727000 -8.499000 13.641000 104 " " V L 2 "VAL " " O " 8 0 2 1 19.37 1565 104 + 1566 3 -13.960000 -6.833000 16.120000 104 " " V L 2 "VAL " " CB " 6 0 2 1 20.13 1566 104 + 1567 3 -13.035000 -5.738000 15.564000 104 " " V L 2 "VAL " " CG1" 6 0 2 1 22.47 1567 104 + 1568 3 -14.554000 -6.408000 17.473000 104 " " V L 2 "VAL " " CG2" 6 0 2 1 19.9 1568 104 + 1569 43 -15.388000 -9.105000 15.937000 104 " " V L 2 "VAL " " H " 1 0 2 1 20.01 1569 104 + 1570 41 -15.740000 -6.301000 15.008000 104 " " V L 2 "VAL " " HA " 1 0 2 1 19.98 1570 104 + 1571 41 -13.366000 -7.733000 16.277000 104 " " V L 2 "VAL " " HB " 1 0 2 1 20.13 1571 104 + 1572 41 -12.250000 -5.522000 16.289000 104 " " V L 2 "VAL " "HG11" 1 0 2 1 22.47 1572 104 + 1573 41 -12.585000 -6.081000 14.632000 104 " " V L 2 "VAL " "HG12" 1 0 2 1 22.47 1573 104 + 1574 41 -13.614000 -4.834000 15.376000 104 " " V L 2 "VAL " "HG13" 1 0 2 1 22.47 1574 104 + 1575 41 -13.747000 -6.174000 18.167000 104 " " V L 2 "VAL " "HG21" 1 0 2 1 19.9 1575 104 + 1576 41 -15.181000 -5.527000 17.335000 104 " " V L 2 "VAL " "HG22" 1 0 2 1 19.9 1576 104 + 1577 41 -15.156000 -7.222000 17.878000 104 " " V L 2 "VAL " "HG23" 1 0 2 1 19.9 1577 104 + 1578 25 -14.995000 -6.843000 12.731000 105 " " E L 2 "GLU " " N " 7 0 2 1 18.87 1578 105 + 1579 3 -14.584000 -7.052000 11.353000 105 " " E L 2 "GLU " " CA " 6 0 2 1 23.04 1579 105 + 1580 2 -13.755000 -5.858000 10.929000 105 " " E L 2 "GLU " " C " 6 0 2 1 21.26 1580 105 + 1581 15 -13.931000 -4.760000 11.457000 105 " " E L 2 "GLU " " O " 8 0 2 1 20.69 1581 105 + 1582 3 -15.800000 -7.152000 10.425000 105 " " E L 2 "GLU " " CB " 6 0 2 1 27.79 1582 105 + 1583 3 -16.849000 -8.186000 10.813000 105 " " E L 2 "GLU " " CG " 6 0 2 1 31.42 1583 105 + 1584 2 -17.827000 -8.470000 9.661000 105 " " E L 2 "GLU " " CD " 6 0 2 1 36.3 1584 105 + 1585 15 -17.992000 -7.605000 8.780000 105 " " E L 2 "GLU " " OE1" 8 0 2 1 43.09 1585 105 + 1586 18 -18.421000 -9.562000 9.631000 105 " " E L 2 "GLU " " OE2" 8 -1 2 1 41.49 1586 105 + 1587 43 -15.675000 -6.114000 12.892000 105 " " E L 2 "GLU " " H " 1 0 2 1 18.87 1587 105 + 1588 41 -13.987000 -7.961000 11.279000 105 " " E L 2 "GLU " " HA " 1 0 2 1 23.04 1588 105 + 1589 41 -15.461000 -7.348000 9.408000 105 " " E L 2 "GLU " " HB3" 1 0 2 1 27.79 1589 105 + 1590 41 -16.272000 -6.173000 10.344000 105 " " E L 2 "GLU " " HB2" 1 0 2 1 27.79 1590 105 + 1591 41 -17.404000 -7.831000 11.681000 105 " " E L 2 "GLU " " HG3" 1 0 2 1 31.42 1591 105 + 1592 41 -16.354000 -9.112000 11.105000 105 " " E L 2 "GLU " " HG2" 1 0 2 1 31.42 1592 105 + 1593 25 -12.867000 -6.062000 9.960000 106 " " I L 2 "ILE " " N " 7 0 2 1 17.24 1593 106 + 1594 3 -11.906000 -5.012000 9.593000 106 " " I L 2 "ILE " " CA " 6 0 2 1 16.64 1594 106 + 1595 2 -12.276000 -4.411000 8.248000 106 " " I L 2 "ILE " " C " 6 0 2 1 16.56 1595 106 + 1596 15 -12.566000 -5.129000 7.289000 106 " " I L 2 "ILE " " O " 8 0 2 1 17.39 1596 106 + 1597 3 -10.427000 -5.528000 9.584000 106 " " I L 2 "ILE " " CB " 6 0 2 1 18.59 1597 106 + 1598 3 -10.038000 -6.138000 10.954000 106 " " I L 2 "ILE " " CG1" 6 0 2 1 18.17 1598 106 + 1599 3 -9.442000 -4.415000 9.083000 106 " " I L 2 "ILE " " CG2" 6 0 2 1 16.72 1599 106 + 1600 3 -9.928000 -5.147000 12.133000 106 " " I L 2 "ILE " " CD1" 6 0 2 1 20.43 1600 106 + 1601 43 -12.849000 -6.945000 9.469000 106 " " I L 2 "ILE " " H " 1 0 2 1 17.24 1601 106 + 1602 41 -11.977000 -4.222000 10.340000 106 " " I L 2 "ILE " " HA " 1 0 2 1 16.64 1602 106 + 1603 41 -10.382000 -6.338000 8.856000 106 " " I L 2 "ILE " " HB " 1 0 2 1 18.59 1603 106 + 1604 41 -9.098000 -6.681000 10.852000 106 " " I L 2 "ILE " "HG13" 1 0 2 1 18.17 1604 106 + 1605 41 -10.747000 -6.925000 11.211000 106 " " I L 2 "ILE " "HG12" 1 0 2 1 18.17 1605 106 + 1606 41 -8.423000 -4.802000 9.088000 106 " " I L 2 "ILE " "HG21" 1 0 2 1 16.72 1606 106 + 1607 41 -9.713000 -4.119000 8.070000 106 " " I L 2 "ILE " "HG22" 1 0 2 1 16.72 1607 106 + 1608 41 -9.504000 -3.550000 9.743000 106 " " I L 2 "ILE " "HG23" 1 0 2 1 16.72 1608 106 + 1609 41 -9.651000 -5.688000 13.038000 106 " " I L 2 "ILE " "HD11" 1 0 2 1 20.43 1609 106 + 1610 41 -9.167000 -4.399000 11.910000 106 " " I L 2 "ILE " "HD12" 1 0 2 1 20.43 1610 106 + 1611 41 -10.888000 -4.654000 12.285000 106 " " I L 2 "ILE " "HD13" 1 0 2 1 20.43 1611 106 + 1612 25 -12.319000 -3.081000 8.215000 107 " " K L 2 "LYS " " N " 7 0 2 1 17.14 1612 107 + 1613 3 -12.482000 -2.314000 6.989000 107 " " K L 2 "LYS " " CA " 6 0 2 1 16.59 1613 107 + 1614 2 -11.093000 -1.998000 6.428000 107 " " K L 2 "LYS " " C " 6 0 2 1 18.69 1614 107 + 1615 15 -10.174000 -1.695000 7.194000 107 " " K L 2 "LYS " " O " 8 0 2 1 18.48 1615 107 + 1616 3 -13.250000 -1.016000 7.294000 107 " " K L 2 "LYS " " CB " 6 0 2 1 20.12 1616 107 + 1617 3 -13.518000 -0.148000 6.093000 107 " " K L 2 "LYS " " CG " 6 0 2 1 27.28 1617 107 + 1618 3 -13.999000 1.241000 6.526000 107 " " K L 2 "LYS " " CD " 6 0 2 1 31.57 1618 107 + 1619 3 -14.032000 2.204000 5.338000 107 " " K L 2 "LYS " " CE " 6 0 2 1 38.48 1619 107 + 1620 32 -12.676000 2.541000 4.778000 107 " " K L 2 "LYS " " NZ " 7 1 2 1 40.54 1620 107 + 1621 43 -12.237000 -2.552000 9.071000 107 " " K L 2 "LYS " " H " 1 0 2 1 17.14 1621 107 + 1622 41 -13.041000 -2.904000 6.263000 107 " " K L 2 "LYS " " HA " 1 0 2 1 16.59 1622 107 + 1623 41 -12.703000 -0.440000 8.041000 107 " " K L 2 "LYS " " HB3" 1 0 2 1 20.12 1623 107 + 1624 41 -14.194000 -1.261000 7.780000 107 " " K L 2 "LYS " " HB2" 1 0 2 1 20.12 1624 107 + 1625 41 -14.278000 -0.617000 5.469000 107 " " K L 2 "LYS " " HG3" 1 0 2 1 27.28 1625 107 + 1626 41 -12.605000 -0.049000 5.506000 107 " " K L 2 "LYS " " HG2" 1 0 2 1 27.28 1626 107 + 1627 41 -13.331000 1.634000 7.293000 107 " " K L 2 "LYS " " HD3" 1 0 2 1 31.57 1627 107 + 1628 41 -14.997000 1.161000 6.957000 107 " " K L 2 "LYS " " HD2" 1 0 2 1 31.57 1628 107 + 1629 41 -14.540000 3.123000 5.632000 107 " " K L 2 "LYS " " HE3" 1 0 2 1 38.48 1629 107 + 1630 41 -14.654000 1.783000 4.549000 107 " " K L 2 "LYS " " HE2" 1 0 2 1 38.48 1630 107 + 1631 44 -12.223000 1.696000 4.461000 107 " " K L 2 "LYS " " HZ1" 1 0 2 1 40.54 1631 107 + 1632 44 -12.781000 3.178000 4.001000 107 " " K L 2 "LYS " " HZ2" 1 0 2 1 40.54 1632 107 + 1633 44 -12.113000 2.976000 5.495000 107 " " K L 2 "LYS " " HZ3" 1 0 2 1 40.54 1633 107 + 1634 25 -10.936000 -2.104000 5.107000 108 " " R L 2 "ARG " " N " 7 0 0 1 18.15 1634 108 + 1635 3 -9.654000 -1.787000 4.444000 108 " " R L 2 "ARG " " CA " 6 0 0 1 18.11 1635 108 + 1636 2 -9.904000 -1.208000 3.057000 108 " " R L 2 "ARG " " C " 6 0 0 1 24 1636 108 + 1637 15 -11.058000 -1.057000 2.648000 108 " " R L 2 "ARG " " O " 8 0 0 1 22.15 1637 108 + 1638 3 -8.723000 -3.019000 4.382000 108 " " R L 2 "ARG " " CB " 6 0 0 1 19.11 1638 108 + 1639 3 -9.308000 -4.258000 3.690000 108 " " R L 2 "ARG " " CG " 6 0 0 1 19.85 1639 108 + 1640 3 -8.220000 -5.085000 3.011000 108 " " R L 2 "ARG " " CD " 6 0 0 1 21.7 1640 108 + 1641 25 -7.625000 -4.385000 1.861000 108 " " R L 2 "ARG " " NE " 7 0 0 1 23.65 1641 108 + 1642 2 -6.433000 -4.652000 1.332000 108 " " R L 2 "ARG " " CZ " 6 0 0 1 25.37 1642 108 + 1643 25 -5.658000 -5.615000 1.834000 108 " " R L 2 "ARG " " NH1" 7 0 0 1 19.64 1643 108 + 1644 31 -6.013000 -3.947000 0.289000 108 " " R L 2 "ARG " " NH2" 7 1 0 1 22.54 1644 108 + 1645 43 -11.707000 -2.409000 4.530000 108 " " R L 2 "ARG " " H " 1 0 0 1 18.15 1645 108 + 1646 41 -9.153000 -1.022000 5.038000 108 " " R L 2 "ARG " " HA " 1 0 0 1 18.11 1646 108 + 1647 41 -8.410000 -3.285000 5.392000 108 " " R L 2 "ARG " " HB3" 1 0 0 1 19.11 1647 108 + 1648 41 -7.790000 -2.741000 3.893000 108 " " R L 2 "ARG " " HB2" 1 0 0 1 19.11 1648 108 + 1649 41 -10.043000 -3.946000 2.948000 108 " " R L 2 "ARG " " HG3" 1 0 0 1 19.85 1649 108 + 1650 41 -9.826000 -4.874000 4.425000 108 " " R L 2 "ARG " " HG2" 1 0 0 1 19.85 1650 108 + 1651 41 -8.640000 -6.035000 2.680000 108 " " R L 2 "ARG " " HD3" 1 0 0 1 21.7 1651 108 + 1652 41 -7.440000 -5.322000 3.735000 108 " " R L 2 "ARG " " HD2" 1 0 0 1 21.7 1652 108 + 1653 43 -8.198000 -3.650000 1.471000 108 " " R L 2 "ARG " " HE " 1 0 0 1 23.65 1653 108 + 1654 43 -4.756000 -5.805000 1.420000 108 " " R L 2 "ARG " "HH12" 1 0 0 1 19.64 1654 108 + 1655 43 -5.973000 -6.155000 2.628000 108 " " R L 2 "ARG " "HH11" 1 0 0 1 19.64 1655 108 + 1656 44 -5.110000 -4.140000 -0.121000 108 " " R L 2 "ARG " "HH22" 1 0 0 1 22.54 1656 108 + 1657 44 -6.596000 -3.217000 -0.095000 108 " " R L 2 "ARG " "HH21" 1 0 0 1 22.54 1657 108 + 1658 25 -8.829000 -0.876000 2.343000 109 " " T L 2 "THR " " N " 7 0 0 1 20.88 1658 109 + 1659 3 -8.950000 -0.417000 0.953000 109 " " T L 2 "THR " " CA " 6 0 0 1 18.89 1659 109 + 1660 2 -9.388000 -1.554000 0.014000 109 " " T L 2 "THR " " C " 6 0 0 1 19.37 1660 109 + 1661 15 -9.221000 -2.747000 0.305000 109 " " T L 2 "THR " " O " 8 0 0 1 19.63 1661 109 + 1662 3 -7.619000 0.204000 0.434000 109 " " T L 2 "THR " " CB " 6 0 0 1 21.72 1662 109 + 1663 16 -6.573000 -0.770000 0.512000 109 " " T L 2 "THR " " OG1" 8 0 0 1 22.31 1663 109 + 1664 3 -7.243000 1.446000 1.252000 109 " " T L 2 "THR " " CG2" 6 0 0 1 24.06 1664 109 + 1665 43 -7.909000 -0.938000 2.756000 109 " " T L 2 "THR " " H " 1 0 0 1 20.88 1665 109 + 1666 41 -9.716000 0.358000 0.921000 109 " " T L 2 "THR " " HA " 1 0 0 1 18.89 1666 109 + 1667 41 -7.750000 0.496000 -0.608000 109 " " T L 2 "THR " " HB " 1 0 0 1 21.72 1667 109 + 1668 42 -5.753000 -0.386000 0.192000 109 " " T L 2 "THR " " HG1" 1 0 0 1 22.31 1668 109 + 1669 41 -6.310000 1.863000 0.872000 109 " " T L 2 "THR " "HG21" 1 0 0 1 24.06 1669 109 + 1670 41 -8.035000 2.191000 1.168000 109 " " T L 2 "THR " "HG22" 1 0 0 1 24.06 1670 109 + 1671 41 -7.117000 1.168000 2.298000 109 " " T L 2 "THR " "HG23" 1 0 0 1 24.06 1671 109 + 1672 25 -9.944000 -1.174000 -1.128000 110 " " V L 2 "VAL " " N " 7 0 0 1 20.38 1672 110 + 1673 3 -10.332000 -2.152000 -2.146000 110 " " V L 2 "VAL " " CA " 6 0 0 1 19.13 1673 110 + 1674 2 -9.129000 -2.975000 -2.640000 110 " " V L 2 "VAL " " C " 6 0 0 1 22.18 1674 110 + 1675 15 -8.020000 -2.449000 -2.819000 110 " " V L 2 "VAL " " O " 8 0 0 1 18.81 1675 110 + 1676 3 -11.069000 -1.454000 -3.320000 110 " " V L 2 "VAL " " CB " 6 0 0 1 19.16 1676 110 + 1677 3 -11.302000 -2.414000 -4.479000 110 " " V L 2 "VAL " " CG1" 6 0 0 1 21.18 1677 110 + 1678 3 -12.405000 -0.942000 -2.831000 110 " " V L 2 "VAL " " CG2" 6 0 0 1 24.66 1678 110 + 1679 43 -10.107000 -0.194000 -1.309000 110 " " V L 2 "VAL " " H " 1 0 0 1 20.38 1679 110 + 1680 41 -11.035000 -2.845000 -1.684000 110 " " V L 2 "VAL " " HA " 1 0 0 1 19.13 1680 110 + 1681 41 -10.470000 -0.613000 -3.668000 110 " " V L 2 "VAL " " HB " 1 0 0 1 19.16 1681 110 + 1682 41 -11.820000 -1.893000 -5.284000 110 " " V L 2 "VAL " "HG11" 1 0 0 1 21.18 1682 110 + 1683 41 -10.344000 -2.784000 -4.844000 110 " " V L 2 "VAL " "HG12" 1 0 0 1 21.18 1683 110 + 1684 41 -11.909000 -3.253000 -4.140000 110 " " V L 2 "VAL " "HG13" 1 0 0 1 21.18 1684 110 + 1685 41 -12.928000 -0.450000 -3.651000 110 " " V L 2 "VAL " "HG21" 1 0 0 1 24.66 1685 110 + 1686 41 -13.004000 -1.777000 -2.467000 110 " " V L 2 "VAL " "HG22" 1 0 0 1 24.66 1686 110 + 1687 41 -12.247000 -0.229000 -2.022000 110 " " V L 2 "VAL " "HG23" 1 0 0 1 24.66 1687 110 + 1688 25 -9.363000 -4.270000 -2.824000 111 " " A L 2 "ALA " " N " 7 0 0 1 19.91 1688 111 + 1689 3 -8.375000 -5.170000 -3.396000 111 " " A L 2 "ALA " " CA " 6 0 0 1 21.36 1689 111 + 1690 2 -9.073000 -6.049000 -4.418000 111 " " A L 2 "ALA " " C " 6 0 0 1 20.81 1690 111 + 1691 15 -10.060000 -6.724000 -4.100000 111 " " A L 2 "ALA " " O " 8 0 0 1 20 1691 111 + 1692 3 -7.732000 -6.031000 -2.307000 111 " " A L 2 "ALA " " CB " 6 0 0 1 20.26 1692 111 + 1693 43 -10.256000 -4.664000 -2.563000 111 " " A L 2 "ALA " " H " 1 0 0 1 19.91 1693 111 + 1694 41 -7.602000 -4.585000 -3.894000 111 " " A L 2 "ALA " " HA " 1 0 0 1 21.36 1694 111 + 1695 41 -6.996000 -6.697000 -2.757000 111 " " A L 2 "ALA " " HB1" 1 0 0 1 20.26 1695 111 + 1696 41 -7.241000 -5.388000 -1.577000 111 " " A L 2 "ALA " " HB2" 1 0 0 1 20.26 1696 111 + 1697 41 -8.501000 -6.623000 -1.810000 111 " " A L 2 "ALA " " HB3" 1 0 0 1 20.26 1697 111 + 1698 25 -8.560000 -6.026000 -5.643000 112 " " A L 2 "ALA " " N " 7 0 0 1 20.22 1698 112 + 1699 3 -9.038000 -6.885000 -6.729000 112 " " A L 2 "ALA " " CA " 6 0 0 1 21.25 1699 112 + 1700 2 -8.658000 -8.347000 -6.507000 112 " " A L 2 "ALA " " C " 6 0 0 1 21.98 1700 112 + 1701 15 -7.540000 -8.626000 -6.057000 112 " " A L 2 "ALA " " O " 8 0 0 1 22.29 1701 112 + 1702 3 -8.458000 -6.399000 -8.077000 112 " " A L 2 "ALA " " CB " 6 0 0 1 23.09 1702 112 + 1703 43 -7.803000 -5.394000 -5.862000 112 " " A L 2 "ALA " " H " 1 0 0 1 20.22 1703 112 + 1704 41 -10.125000 -6.813000 -6.774000 112 " " A L 2 "ALA " " HA " 1 0 0 1 21.25 1704 112 + 1705 41 -8.817000 -7.042000 -8.881000 112 " " A L 2 "ALA " " HB1" 1 0 0 1 23.09 1705 112 + 1706 41 -8.778000 -5.374000 -8.262000 112 " " A L 2 "ALA " " HB2" 1 0 0 1 23.09 1706 112 + 1707 41 -7.369000 -6.438000 -8.040000 112 " " A L 2 "ALA " " HB3" 1 0 0 1 23.09 1707 112 + 1708 25 -9.566000 -9.280000 -6.865000 113 " " P L 2 "PRO " " N " 7 0 0 1 21.22 1708 113 + 1709 3 -9.259000 -10.702000 -6.765000 113 " " P L 2 "PRO " " CA " 6 0 0 1 22.08 1709 113 + 1710 2 -8.306000 -11.140000 -7.861000 113 " " P L 2 "PRO " " C " 6 0 0 1 22.76 1710 113 + 1711 15 -8.343000 -10.592000 -8.972000 113 " " P L 2 "PRO " " O " 8 0 0 1 22.37 1711 113 + 1712 3 -10.618000 -11.384000 -6.959000 113 " " P L 2 "PRO " " CB " 6 0 0 1 22.05 1712 113 + 1713 3 -11.443000 -10.417000 -7.738000 113 " " P L 2 "PRO " " CG " 6 0 0 1 21.48 1713 113 + 1714 3 -10.930000 -9.035000 -7.391000 113 " " P L 2 "PRO " " CD " 6 0 0 1 20.81 1714 113 + 1715 41 -8.848000 -10.938000 -5.783000 113 " " P L 2 "PRO " " HA " 1 0 0 1 22.08 1715 113 + 1716 41 -11.080000 -11.553000 -5.986000 113 " " P L 2 "PRO " " HB3" 1 0 0 1 22.05 1716 113 + 1717 41 -10.485000 -12.297000 -7.540000 113 " " P L 2 "PRO " " HB2" 1 0 0 1 22.05 1717 113 + 1718 41 -12.486000 -10.503000 -7.434000 113 " " P L 2 "PRO " " HG3" 1 0 0 1 21.48 1718 113 + 1719 41 -11.304000 -10.598000 -8.804000 113 " " P L 2 "PRO " " HG2" 1 0 0 1 21.48 1719 113 + 1720 41 -10.864000 -8.436000 -8.299000 113 " " P L 2 "PRO " " HD2" 1 0 0 1 20.81 1720 113 + 1721 41 -11.549000 -8.608000 -6.602000 113 " " P L 2 "PRO " " HD3" 1 0 0 1 20.81 1721 113 + 1722 25 -7.450000 -12.098000 -7.523000 114 " " S L 2 "SER " " N " 7 0 0 1 22.74 1722 114 + 1723 3 -6.746000 -12.902000 -8.516000 114 " " S L 2 "SER " " CA " 6 0 0 1 23.31 1723 114 + 1724 2 -7.648000 -14.086000 -8.846000 114 " " S L 2 "SER " " C " 6 0 0 1 24.12 1724 114 + 1725 15 -8.135000 -14.775000 -7.947000 114 " " S L 2 "SER " " O " 8 0 0 1 22.99 1725 114 + 1726 3 -5.405000 -13.378000 -7.959000 114 " " S L 2 "SER " " CB " 6 0 0 1 25.57 1726 114 + 1727 16 -4.570000 -12.255000 -7.673000 114 " " S L 2 "SER " " OG " 8 0 0 1 29.66 1727 114 + 1728 43 -7.267000 -12.291000 -6.549000 114 " " S L 2 "SER " " H " 1 0 0 1 22.74 1728 114 + 1729 41 -6.579000 -12.308000 -9.415000 114 " " S L 2 "SER " " HA " 1 0 0 1 23.31 1729 114 + 1730 41 -4.914000 -14.018000 -8.692000 114 " " S L 2 "SER " " HB3" 1 0 0 1 25.57 1730 114 + 1731 41 -5.573000 -13.948000 -7.045000 114 " " S L 2 "SER " " HB2" 1 0 0 1 25.57 1731 114 + 1732 42 -5.000000 -11.693000 -7.024000 114 " " S L 2 "SER " " HG " 1 0 0 1 29.66 1732 114 + 1733 25 -7.874000 -14.318000 -10.133000 115 " " V L 2 "VAL " " N " 7 0 2 1 17.87 1733 115 + 1734 3 -8.886000 -15.298000 -10.549000 115 " " V L 2 "VAL " " CA " 6 0 2 1 20.84 1734 115 + 1735 2 -8.201000 -16.466000 -11.254000 115 " " V L 2 "VAL " " C " 6 0 2 1 22.81 1735 115 + 1736 15 -7.331000 -16.258000 -12.107000 115 " " V L 2 "VAL " " O " 8 0 2 1 19.44 1736 115 + 1737 3 -9.953000 -14.667000 -11.479000 115 " " V L 2 "VAL " " CB " 6 0 2 1 20.66 1737 115 + 1738 3 -11.025000 -15.694000 -11.854000 115 " " V L 2 "VAL " " CG1" 6 0 2 1 20.38 1738 115 + 1739 3 -10.607000 -13.430000 -10.809000 115 " " V L 2 "VAL " " CG2" 6 0 2 1 21.44 1739 115 + 1740 43 -7.348000 -13.819000 -10.836000 115 " " V L 2 "VAL " " H " 1 0 2 1 17.87 1740 115 + 1741 41 -9.386000 -15.678000 -9.658000 115 " " V L 2 "VAL " " HA " 1 0 2 1 20.84 1741 115 + 1742 41 -9.459000 -14.339000 -12.394000 115 " " V L 2 "VAL " " HB " 1 0 2 1 20.66 1742 115 + 1743 41 -11.763000 -15.228000 -12.507000 115 " " V L 2 "VAL " "HG11" 1 0 2 1 20.38 1743 115 + 1744 41 -10.560000 -16.533000 -12.372000 115 " " V L 2 "VAL " "HG12" 1 0 2 1 20.38 1744 115 + 1745 41 -11.516000 -16.054000 -10.950000 115 " " V L 2 "VAL " "HG13" 1 0 2 1 20.38 1745 115 + 1746 41 -11.352000 -13.004000 -11.481000 115 " " V L 2 "VAL " "HG21" 1 0 2 1 21.44 1746 115 + 1747 41 -11.087000 -13.732000 -9.878000 115 " " V L 2 "VAL " "HG22" 1 0 2 1 21.44 1747 115 + 1748 41 -9.841000 -12.684000 -10.597000 115 " " V L 2 "VAL " "HG23" 1 0 2 1 21.44 1748 115 + 1749 25 -8.621000 -17.683000 -10.901000 116 " " F L 2 "PHE " " N " 7 0 2 1 21.52 1749 116 + 1750 3 -8.055000 -18.916000 -11.427000 116 " " F L 2 "PHE " " CA " 6 0 2 1 19.85 1750 116 + 1751 2 -9.210000 -19.857000 -11.763000 116 " " F L 2 "PHE " " C " 6 0 2 1 21.75 1751 116 + 1752 15 -10.240000 -19.846000 -11.079000 116 " " F L 2 "PHE " " O " 8 0 2 1 21.32 1752 116 + 1753 3 -7.147000 -19.596000 -10.383000 116 " " F L 2 "PHE " " CB " 6 0 2 1 18.72 1753 116 + 1754 2 -6.034000 -18.714000 -9.855000 116 " " F L 2 "PHE " " CG " 6 0 2 1 21.11 1754 116 + 1755 2 -4.760000 -18.766000 -10.410000 116 " " F L 2 "PHE " " CD1" 6 0 2 1 24.72 1755 116 + 1756 2 -6.258000 -17.873000 -8.763000 116 " " F L 2 "PHE " " CD2" 6 0 2 1 24.81 1756 116 + 1757 2 -3.723000 -17.952000 -9.912000 116 " " F L 2 "PHE " " CE1" 6 0 2 1 23.06 1757 116 + 1758 2 -5.241000 -17.054000 -8.257000 116 " " F L 2 "PHE " " CE2" 6 0 2 1 25.79 1758 116 + 1759 2 -3.974000 -17.105000 -8.821000 116 " " F L 2 "PHE " " CZ " 6 0 2 1 22.71 1759 116 + 1760 43 -9.372000 -17.784000 -10.233000 116 " " F L 2 "PHE " " H " 1 0 2 1 21.52 1760 116 + 1761 41 -7.481000 -18.702000 -12.329000 116 " " F L 2 "PHE " " HA " 1 0 2 1 19.85 1761 116 + 1762 41 -6.718000 -20.501000 -10.813000 116 " " F L 2 "PHE " " HB3" 1 0 2 1 18.72 1762 116 + 1763 41 -7.755000 -19.948000 -9.550000 116 " " F L 2 "PHE " " HB2" 1 0 2 1 18.72 1763 116 + 1764 41 -4.556000 -19.436000 -11.232000 116 " " F L 2 "PHE " " HD1" 1 0 2 1 24.72 1764 116 + 1765 41 -7.230000 -17.846000 -8.293000 116 " " F L 2 "PHE " " HD2" 1 0 2 1 24.81 1765 116 + 1766 41 -2.745000 -17.983000 -10.369000 116 " " F L 2 "PHE " " HE1" 1 0 2 1 23.06 1766 116 + 1767 41 -5.445000 -16.387000 -7.432000 116 " " F L 2 "PHE " " HE2" 1 0 2 1 25.79 1767 116 + 1768 41 -3.181000 -16.492000 -8.420000 116 " " F L 2 "PHE " " HZ " 1 0 2 1 22.71 1768 116 + 1769 25 -9.045000 -20.664000 -12.807000 117 " " I L 2 "ILE " " N " 7 0 2 1 17.67 1769 117 + 1770 3 -10.057000 -21.689000 -13.133000 117 " " I L 2 "ILE " " CA " 6 0 2 1 19.86 1770 117 + 1771 2 -9.432000 -23.086000 -13.231000 117 " " I L 2 "ILE " " C " 6 0 2 1 21.99 1771 117 + 1772 15 -8.311000 -23.220000 -13.705000 117 " " I L 2 "ILE " " O " 8 0 2 1 19.65 1772 117 + 1773 3 -10.888000 -21.325000 -14.420000 117 " " I L 2 "ILE " " CB " 6 0 2 1 18.54 1773 117 + 1774 3 -12.155000 -22.183000 -14.529000 117 " " I L 2 "ILE " " CG1" 6 0 2 1 19.17 1774 117 + 1775 3 -10.020000 -21.416000 -15.701000 117 " " I L 2 "ILE " " CG2" 6 0 2 1 19 1775 117 + 1776 3 -13.053000 -21.835000 -15.744000 117 " " I L 2 "ILE " " CD1" 6 0 2 1 17.17 1776 117 + 1777 43 -8.222000 -20.579000 -13.386000 117 " " I L 2 "ILE " " H " 1 0 2 1 17.67 1777 117 + 1778 41 -10.760000 -21.715000 -12.300000 117 " " I L 2 "ILE " " HA " 1 0 2 1 19.86 1778 117 + 1779 41 -11.207000 -20.288000 -14.317000 117 " " I L 2 "ILE " " HB " 1 0 2 1 18.54 1779 117 + 1780 41 -12.736000 -22.088000 -13.612000 117 " " I L 2 "ILE " "HG13" 1 0 2 1 19.17 1780 117 + 1781 41 -11.876000 -23.236000 -14.576000 117 " " I L 2 "ILE " "HG12" 1 0 2 1 19.17 1781 117 + 1782 41 -10.626000 -21.158000 -16.570000 117 " " I L 2 "ILE " "HG21" 1 0 2 1 19 1782 117 + 1783 41 -9.183000 -20.722000 -15.623000 117 " " I L 2 "ILE " "HG22" 1 0 2 1 19 1783 117 + 1784 41 -9.640000 -22.432000 -15.812000 117 " " I L 2 "ILE " "HG23" 1 0 2 1 19 1784 117 + 1785 41 -13.927000 -22.486000 -15.749000 117 " " I L 2 "ILE " "HD11" 1 0 2 1 17.17 1785 117 + 1786 41 -13.375000 -20.796000 -15.673000 117 " " I L 2 "ILE " "HD12" 1 0 2 1 17.17 1786 117 + 1787 41 -12.489000 -21.978000 -16.666000 117 " " I L 2 "ILE " "HD13" 1 0 2 1 17.17 1787 117 + 1788 25 -10.154000 -24.111000 -12.768000 118 " " F L 2 "PHE " " N " 7 0 2 1 18.25 1788 118 + 1789 3 -9.645000 -25.484000 -12.723000 118 " " F L 2 "PHE " " CA " 6 0 2 1 16.34 1789 118 + 1790 2 -10.636000 -26.402000 -13.414000 118 " " F L 2 "PHE " " C " 6 0 2 1 18.55 1790 118 + 1791 15 -11.797000 -26.471000 -12.993000 118 " " F L 2 "PHE " " O " 8 0 2 1 20.46 1791 118 + 1792 3 -9.453000 -25.980000 -11.279000 118 " " F L 2 "PHE " " CB " 6 0 2 1 16.8 1792 118 + 1793 2 -8.479000 -25.154000 -10.463000 118 " " F L 2 "PHE " " CG " 6 0 2 1 17.8 1793 118 + 1794 2 -7.114000 -25.462000 -10.448000 118 " " F L 2 "PHE " " CD1" 6 0 2 1 19.76 1794 118 + 1795 2 -8.932000 -24.085000 -9.689000 118 " " F L 2 "PHE " " CD2" 6 0 2 1 18.92 1795 118 + 1796 2 -6.216000 -24.710000 -9.672000 118 " " F L 2 "PHE " " CE1" 6 0 2 1 18.44 1796 118 + 1797 2 -8.040000 -23.319000 -8.915000 118 " " F L 2 "PHE " " CE2" 6 0 2 1 21.28 1797 118 + 1798 2 -6.689000 -23.641000 -8.907000 118 " " F L 2 "PHE " " CZ " 6 0 2 1 20.87 1798 118 + 1799 43 -11.093000 -23.955000 -12.430000 118 " " F L 2 "PHE " " H " 1 0 2 1 18.25 1799 118 + 1800 41 -8.690000 -25.529000 -13.247000 118 " " F L 2 "PHE " " HA " 1 0 2 1 16.34 1800 118 + 1801 41 -9.121000 -27.018000 -11.295000 118 " " F L 2 "PHE " " HB3" 1 0 2 1 16.8 1801 118 + 1802 41 -10.419000 -26.003000 -10.774000 118 " " F L 2 "PHE " " HB2" 1 0 2 1 16.8 1802 118 + 1803 41 -6.740000 -26.286000 -11.037000 118 " " F L 2 "PHE " " HD1" 1 0 2 1 19.76 1803 118 + 1804 41 -9.982000 -23.834000 -9.677000 118 " " F L 2 "PHE " " HD2" 1 0 2 1 18.92 1804 118 + 1805 41 -5.165000 -24.959000 -9.669000 118 " " F L 2 "PHE " " HE1" 1 0 2 1 18.44 1805 118 + 1806 41 -8.408000 -22.487000 -8.333000 118 " " F L 2 "PHE " " HE2" 1 0 2 1 21.28 1806 118 + 1807 41 -6.003000 -23.062000 -8.307000 118 " " F L 2 "PHE " " HZ " 1 0 2 1 20.87 1807 118 + 1808 25 -10.199000 -27.094000 -14.490000 119 " " P L 2 "PRO " " N " 7 0 0 1 20.08 1808 119 + 1809 3 -11.058000 -28.120000 -15.082000 119 " " P L 2 "PRO " " CA " 6 0 0 1 20.05 1809 119 + 1810 2 -11.235000 -29.290000 -14.113000 119 " " P L 2 "PRO " " C " 6 0 0 1 21.12 1810 119 + 1811 15 -10.505000 -29.371000 -13.116000 119 " " P L 2 "PRO " " O " 8 0 0 1 22.08 1811 119 + 1812 3 -10.276000 -28.569000 -16.330000 119 " " P L 2 "PRO " " CB " 6 0 0 1 20.4 1812 119 + 1813 3 -9.288000 -27.488000 -16.588000 119 " " P L 2 "PRO " " CG " 6 0 0 1 23.24 1813 119 + 1814 3 -8.935000 -26.941000 -15.235000 119 " " P L 2 "PRO " " CD " 6 0 0 1 22 1814 119 + 1815 41 -12.024000 -27.700000 -15.362000 119 " " P L 2 "PRO " " HA " 1 0 0 1 20.05 1815 119 + 1816 41 -10.958000 -28.645000 -17.177000 119 " " P L 2 "PRO " " HB3" 1 0 0 1 20.4 1816 119 + 1817 41 -9.748000 -29.497000 -16.111000 119 " " P L 2 "PRO " " HB2" 1 0 0 1 20.4 1817 119 + 1818 41 -9.756000 -26.705000 -17.184000 119 " " P L 2 "PRO " " HG3" 1 0 0 1 23.24 1818 119 + 1819 41 -8.397000 -27.915000 -17.049000 119 " " P L 2 "PRO " " HG2" 1 0 0 1 23.24 1819 119 + 1820 41 -8.172000 -27.573000 -14.780000 119 " " P L 2 "PRO " " HD2" 1 0 0 1 22 1820 119 + 1821 41 -8.699000 -25.881000 -15.327000 119 " " P L 2 "PRO " " HD3" 1 0 0 1 22 1821 119 + 1822 25 -12.231000 -30.160000 -14.366000 120 " " P L 2 "PRO " " N " 7 0 0 1 23.87 1822 120 + 1823 3 -12.364000 -31.365000 -13.548000 120 " " P L 2 "PRO " " CA " 6 0 0 1 21.04 1823 120 + 1824 2 -11.147000 -32.276000 -13.729000 120 " " P L 2 "PRO " " C " 6 0 0 1 21.97 1824 120 + 1825 15 -10.531000 -32.288000 -14.811000 120 " " P L 2 "PRO " " O " 8 0 0 1 21 1825 120 + 1826 3 -13.622000 -32.042000 -14.109000 120 " " P L 2 "PRO " " CB " 6 0 0 1 24.08 1826 120 + 1827 3 -13.854000 -31.427000 -15.458000 120 " " P L 2 "PRO " " CG " 6 0 0 1 24.03 1827 120 + 1828 3 -13.296000 -30.050000 -15.385000 120 " " P L 2 "PRO " " CD " 6 0 0 1 21.77 1828 120 + 1829 41 -12.500000 -31.106000 -12.498000 120 " " P L 2 "PRO " " HA " 1 0 0 1 21.04 1829 120 + 1830 41 -14.470000 -31.823000 -13.461000 120 " " P L 2 "PRO " " HB3" 1 0 0 1 24.08 1830 120 + 1831 41 -13.437000 -33.110000 -14.225000 120 " " P L 2 "PRO " " HB2" 1 0 0 1 24.08 1831 120 + 1832 41 -14.925000 -31.374000 -15.652000 120 " " P L 2 "PRO " " HG3" 1 0 0 1 24.03 1832 120 + 1833 41 -13.314000 -31.997000 -16.214000 120 " " P L 2 "PRO " " HG2" 1 0 0 1 24.03 1833 120 + 1834 41 -12.850000 -29.791000 -16.345000 120 " " P L 2 "PRO " " HD2" 1 0 0 1 21.77 1834 120 + 1835 41 -14.067000 -29.367000 -15.028000 120 " " P L 2 "PRO " " HD3" 1 0 0 1 21.77 1835 120 + 1836 25 -10.801000 -33.013000 -12.681000 121 " " S L 2 "SER " " N " 7 0 0 1 19.5 1836 121 + 1837 3 -9.734000 -34.013000 -12.777000 121 " " S L 2 "SER " " CA " 6 0 0 1 24.78 1837 121 + 1838 2 -10.187000 -35.213000 -13.609000 121 " " S L 2 "SER " " C " 6 0 0 1 23.2 1838 121 + 1839 15 -11.380000 -35.525000 -13.672000 121 " " S L 2 "SER " " O " 8 0 0 1 23.71 1839 121 + 1840 3 -9.279000 -34.466000 -11.381000 121 " " S L 2 "SER " " CB " 6 0 0 1 23.89 1840 121 + 1841 16 -10.321000 -35.112000 -10.664000 121 " " S L 2 "SER " " OG " 8 0 0 1 24.52 1841 121 + 1842 43 -11.276000 -32.890000 -11.798000 121 " " S L 2 "SER " " H " 1 0 0 1 19.5 1842 121 + 1843 41 -8.883000 -33.554000 -13.279000 121 " " S L 2 "SER " " HA " 1 0 0 1 24.78 1843 121 + 1844 41 -8.931000 -33.602000 -10.815000 121 " " S L 2 "SER " " HB3" 1 0 0 1 23.89 1844 121 + 1845 41 -8.431000 -35.144000 -11.478000 121 " " S L 2 "SER " " HB2" 1 0 0 1 23.89 1845 121 + 1846 42 -9.994000 -35.390000 -9.805000 121 " " S L 2 "SER " " HG " 1 0 0 1 24.52 1846 121 + 1847 25 -9.232000 -35.887000 -14.247000 122 " " D L 2 "ASP " " N " 7 0 1 1 25.67 1847 122 + 1848 3 -9.527000 -37.106000 -14.994000 122 " " D L 2 "ASP " " CA " 6 0 1 1 29.93 1848 122 + 1849 2 -10.107000 -38.176000 -14.078000 122 " " D L 2 "ASP " " C " 6 0 1 1 27.82 1849 122 + 1850 15 -11.006000 -38.924000 -14.485000 122 " " D L 2 "ASP " " O " 8 0 1 1 27.69 1850 122 + 1851 3 -8.273000 -37.631000 -15.703000 122 " " D L 2 "ASP " " CB " 6 0 1 1 34.63 1851 122 + 1852 2 -7.873000 -36.779000 -16.902000 122 " " D L 2 "ASP " " CG " 6 0 1 1 39.54 1852 122 + 1853 15 -8.756000 -36.181000 -17.564000 122 " " D L 2 "ASP " " OD1" 8 0 1 1 38.17 1853 122 + 1854 18 -6.661000 -36.716000 -17.185000 122 " " D L 2 "ASP " " OD2" 8 -1 1 1 43.02 1854 122 + 1855 43 -8.278000 -35.557000 -14.221000 122 " " D L 2 "ASP " " H " 1 0 1 1 25.67 1855 122 + 1856 41 -10.272000 -36.868000 -15.753000 122 " " D L 2 "ASP " " HA " 1 0 1 1 29.93 1856 122 + 1857 41 -8.444000 -38.657000 -16.029000 122 " " D L 2 "ASP " " HB3" 1 0 1 1 34.63 1857 122 + 1858 41 -7.446000 -37.670000 -14.994000 122 " " D L 2 "ASP " " HB2" 1 0 1 1 34.63 1858 122 + 1859 25 -9.601000 -38.224000 -12.842000 123 " " E L 2 "GLU " " N " 7 0 1 1 25.62 1859 123 + 1860 3 -10.099000 -39.151000 -11.824000 123 " " E L 2 "GLU " " CA " 6 0 1 1 32.08 1860 123 + 1861 2 -11.584000 -38.933000 -11.546000 123 " " E L 2 "GLU " " C " 6 0 1 1 30.33 1861 123 + 1862 15 -12.359000 -39.894000 -11.496000 123 " " E L 2 "GLU " " O " 8 0 1 1 33.08 1862 123 + 1863 3 -9.295000 -39.037000 -10.522000 123 " " E L 2 "GLU " " CB " 6 0 1 1 33.45 1863 123 + 1864 3 -9.739000 -40.021000 -9.434000 123 " " E L 2 "GLU " " CG " 6 0 1 1 39.73 1864 123 + 1865 2 -9.043000 -39.814000 -8.089000 123 " " E L 2 "GLU " " CD " 6 0 1 1 43.64 1865 123 + 1866 15 -8.323000 -38.800000 -7.905000 123 " " E L 2 "GLU " " OE1" 8 0 1 1 47.31 1866 123 + 1867 18 -9.232000 -40.682000 -7.206000 123 " " E L 2 "GLU " " OE2" 8 -1 1 1 49.02 1867 123 + 1868 43 -8.846000 -37.606000 -12.581000 123 " " E L 2 "GLU " " H " 1 0 1 1 25.62 1868 123 + 1869 41 -9.976000 -40.165000 -12.206000 123 " " E L 2 "GLU " " HA " 1 0 1 1 32.08 1869 123 + 1870 41 -9.368000 -38.019000 -10.140000 123 " " E L 2 "GLU " " HB3" 1 0 1 1 33.45 1870 123 + 1871 41 -8.237000 -39.188000 -10.736000 123 " " E L 2 "GLU " " HB2" 1 0 1 1 33.45 1871 123 + 1872 41 -9.566000 -41.041000 -9.777000 123 " " E L 2 "GLU " " HG3" 1 0 1 1 39.73 1872 123 + 1873 41 -10.818000 -39.947000 -9.298000 123 " " E L 2 "GLU " " HG2" 1 0 1 1 39.73 1873 123 + 1874 25 -11.984000 -37.675000 -11.354000 124 " " Q L 2 "GLN " " N " 7 0 1 1 28.97 1874 124 + 1875 3 -13.401000 -37.394000 -11.156000 124 " " Q L 2 "GLN " " CA " 6 0 1 1 25.35 1875 124 + 1876 2 -14.225000 -37.737000 -12.401000 124 " " Q L 2 "GLN " " C " 6 0 1 1 21.92 1876 124 + 1877 15 -15.270000 -38.366000 -12.300000 124 " " Q L 2 "GLN " " O " 8 0 1 1 23.61 1877 124 + 1878 3 -13.655000 -35.954000 -10.720000 124 " " Q L 2 "GLN " " CB " 6 0 1 1 20.4 1878 124 + 1879 3 -15.108000 -35.742000 -10.334000 124 " " Q L 2 "GLN " " CG " 6 0 1 1 22.14 1879 124 + 1880 2 -15.455000 -34.301000 -10.061000 124 " " Q L 2 "GLN " " CD " 6 0 1 1 23.47 1880 124 + 1881 15 -14.772000 -33.377000 -10.526000 124 " " Q L 2 "GLN " " OE1" 8 0 1 1 21.61 1881 124 + 1882 25 -16.518000 -34.095000 -9.279000 124 " " Q L 2 "GLN " " NE2" 7 0 1 1 23.53 1882 124 + 1883 43 -11.307000 -36.925000 -11.347000 124 " " Q L 2 "GLN " " H " 1 0 1 1 28.97 1883 124 + 1884 41 -13.749000 -38.041000 -10.351000 124 " " Q L 2 "GLN " " HA " 1 0 1 1 25.35 1884 124 + 1885 41 -13.393000 -35.277000 -11.533000 124 " " Q L 2 "GLN " " HB3" 1 0 1 1 20.4 1885 124 + 1886 41 -13.015000 -35.714000 -9.871000 124 " " Q L 2 "GLN " " HB2" 1 0 1 1 20.4 1886 124 + 1887 41 -15.340000 -36.343000 -9.455000 124 " " Q L 2 "GLN " " HG3" 1 0 1 1 22.14 1887 124 + 1888 41 -15.752000 -36.125000 -11.125000 124 " " Q L 2 "GLN " " HG2" 1 0 1 1 22.14 1888 124 + 1889 43 -16.806000 -33.153000 -9.056000 124 " " Q L 2 "GLN " "HE22" 1 0 1 1 23.53 1889 124 + 1890 43 -17.034000 -34.881000 -8.911000 124 " " Q L 2 "GLN " "HE21" 1 0 1 1 23.53 1890 124 + 1891 25 -13.740000 -37.340000 -13.568000 125 " " L L 2 "LEU " " N " 7 0 1 1 23.37 1891 125 + 1892 3 -14.422000 -37.657000 -14.817000 125 " " L L 2 "LEU " " CA " 6 0 1 1 29.14 1892 125 + 1893 2 -14.732000 -39.157000 -14.949000 125 " " L L 2 "LEU " " C " 6 0 1 1 32.83 1893 125 + 1894 15 -15.832000 -39.530000 -15.370000 125 " " L L 2 "LEU " " O " 8 0 1 1 29.75 1894 125 + 1895 3 -13.612000 -37.140000 -16.010000 125 " " L L 2 "LEU " " CB " 6 0 1 1 31.06 1895 125 + 1896 3 -13.651000 -35.625000 -16.227000 125 " " L L 2 "LEU " " CG " 6 0 1 1 29.98 1896 125 + 1897 3 -12.693000 -35.215000 -17.341000 125 " " L L 2 "LEU " " CD1" 6 0 1 1 31.53 1897 125 + 1898 3 -15.073000 -35.153000 -16.542000 125 " " L L 2 "LEU " " CD2" 6 0 1 1 28.85 1898 125 + 1899 43 -12.883000 -36.807000 -13.604000 125 " " L L 2 "LEU " " H " 1 0 1 1 23.37 1899 125 + 1900 41 -15.374000 -37.126000 -14.813000 125 " " L L 2 "LEU " " HA " 1 0 1 1 29.14 1900 125 + 1901 41 -13.947000 -37.642000 -16.917000 125 " " L L 2 "LEU " " HB3" 1 0 1 1 31.06 1901 125 + 1902 41 -12.576000 -37.463000 -15.909000 125 " " L L 2 "LEU " " HB2" 1 0 1 1 31.06 1902 125 + 1903 41 -13.328000 -35.141000 -15.305000 125 " " L L 2 "LEU " " HG " 1 0 1 1 29.98 1903 125 + 1904 41 -12.736000 -34.135000 -17.479000 125 " " L L 2 "LEU " "HD11" 1 0 1 1 31.53 1904 125 + 1905 41 -11.677000 -35.506000 -17.073000 125 " " L L 2 "LEU " "HD12" 1 0 1 1 31.53 1905 125 + 1906 41 -12.980000 -35.711000 -18.268000 125 " " L L 2 "LEU " "HD13" 1 0 1 1 31.53 1906 125 + 1907 41 -15.073000 -34.073000 -16.692000 125 " " L L 2 "LEU " "HD21" 1 0 1 1 28.85 1907 125 + 1908 41 -15.427000 -35.645000 -17.448000 125 " " L L 2 "LEU " "HD22" 1 0 1 1 28.85 1908 125 + 1909 41 -15.732000 -35.404000 -15.711000 125 " " L L 2 "LEU " "HD23" 1 0 1 1 28.85 1909 125 + 1910 25 -13.771000 -40.004000 -14.571000 126 " " K L 2 "LYS " " N " 7 0 1 1 36.78 1910 126 + 1911 3 -13.972000 -41.463000 -14.540000 126 " " K L 2 "LYS " " CA " 6 0 1 1 41.03 1911 126 + 1912 2 -15.189000 -41.878000 -13.717000 126 " " K L 2 "LYS " " C " 6 0 1 1 40.37 1912 126 + 1913 15 -15.885000 -42.828000 -14.072000 126 " " K L 2 "LYS " " O " 8 0 1 1 41.78 1913 126 + 1914 3 -12.734000 -42.174000 -13.994000 126 " " K L 2 "LYS " " CB " 6 0 1 1 45.02 1914 126 + 1915 3 -11.699000 -42.525000 -15.043000 126 " " K L 2 "LYS " " CG " 6 0 1 1 52.3 1915 126 + 1916 3 -10.572000 -43.346000 -14.439000 126 " " K L 2 "LYS " " CD " 6 0 1 1 56.86 1916 126 + 1917 3 -9.535000 -43.705000 -15.490000 126 " " K L 2 "LYS " " CE " 6 0 1 1 59.42 1917 126 + 1918 32 -8.429000 -44.527000 -14.921000 126 " " K L 2 "LYS " " NZ " 7 1 1 1 61.26 1918 126 + 1919 43 -12.867000 -39.650000 -14.293000 126 " " K L 2 "LYS " " H " 1 0 1 1 36.78 1919 126 + 1920 41 -14.129000 -41.802000 -15.564000 126 " " K L 2 "LYS " " HA " 1 0 1 1 41.03 1920 126 + 1921 41 -13.039000 -43.080000 -13.471000 126 " " K L 2 "LYS " " HB3" 1 0 1 1 45.02 1921 126 + 1922 41 -12.273000 -41.555000 -13.224000 126 " " K L 2 "LYS " " HB2" 1 0 1 1 45.02 1922 126 + 1923 41 -11.292000 -41.609000 -15.472000 126 " " K L 2 "LYS " " HG3" 1 0 1 1 52.3 1923 126 + 1924 41 -12.172000 -43.093000 -15.844000 126 " " K L 2 "LYS " " HG2" 1 0 1 1 52.3 1924 126 + 1925 41 -10.980000 -44.259000 -14.005000 126 " " K L 2 "LYS " " HD3" 1 0 1 1 56.86 1925 126 + 1926 41 -10.097000 -42.777000 -13.640000 126 " " K L 2 "LYS " " HD2" 1 0 1 1 56.86 1926 126 + 1927 41 -9.124000 -42.792000 -15.920000 126 " " K L 2 "LYS " " HE3" 1 0 1 1 59.42 1927 126 + 1928 41 -10.015000 -44.254000 -16.300000 126 " " K L 2 "LYS " " HE2" 1 0 1 1 59.42 1928 126 + 1929 44 -8.286000 -44.276000 -13.953000 126 " " K L 2 "LYS " " HZ1" 1 0 1 1 61.26 1929 126 + 1930 44 -8.670000 -45.506000 -14.982000 126 " " K L 2 "LYS " " HZ2" 1 0 1 1 61.26 1930 126 + 1931 44 -7.580000 -44.357000 -15.441000 126 " " K L 2 "LYS " " HZ3" 1 0 1 1 61.26 1931 126 + 1932 25 -15.444000 -41.156000 -12.626000 127 " " S L 2 "SER " " N " 7 0 1 1 39.2 1932 127 + 1933 3 -16.535000 -41.480000 -11.708000 127 " " S L 2 "SER " " CA " 6 0 1 1 38.47 1933 127 + 1934 2 -17.918000 -41.024000 -12.186000 127 " " S L 2 "SER " " C " 6 0 1 1 35.99 1934 127 + 1935 15 -18.916000 -41.325000 -11.535000 127 " " S L 2 "SER " " O " 8 0 1 1 32.18 1935 127 + 1936 3 -16.252000 -40.916000 -10.312000 127 " " S L 2 "SER " " CB " 6 0 1 1 39.46 1936 127 + 1937 16 -16.386000 -39.501000 -10.286000 127 " " S L 2 "SER " " OG " 8 0 1 1 37.88 1937 127 + 1938 43 -14.874000 -40.351000 -12.408000 127 " " S L 2 "SER " " H " 1 0 1 1 39.2 1938 127 + 1939 41 -16.567000 -42.566000 -11.616000 127 " " S L 2 "SER " " HA " 1 0 1 1 38.47 1939 127 + 1940 41 -15.242000 -41.190000 -10.008000 127 " " S L 2 "SER " " HB3" 1 0 1 1 39.46 1940 127 + 1941 41 -16.943000 -41.359000 -9.595000 127 " " S L 2 "SER " " HB2" 1 0 1 1 39.46 1941 127 + 1942 42 -15.954000 -39.124000 -11.056000 127 " " S L 2 "SER " " HG " 1 0 1 1 37.88 1942 127 + 1943 25 -17.973000 -40.297000 -13.305000 128 " " G L 2 "GLY " " N " 7 0 0 1 35.53 1943 128 + 1944 3 -19.254000 -39.892000 -13.915000 128 " " G L 2 "GLY " " CA " 6 0 0 1 31.91 1944 128 + 1945 2 -19.668000 -38.440000 -13.693000 128 " " G L 2 "GLY " " C " 6 0 0 1 30.05 1945 128 + 1946 15 -20.736000 -38.006000 -14.147000 128 " " G L 2 "GLY " " O " 8 0 0 1 25.1 1946 128 + 1947 43 -17.120000 -40.007000 -13.761000 128 " " G L 2 "GLY " " H " 1 0 0 1 35.53 1947 128 + 1948 41 -20.046000 -40.550000 -13.559000 128 " " G L 2 "GLY " " HA3" 1 0 0 1 31.91 1948 128 + 1949 41 -19.224000 -40.098000 -14.985000 128 " " G L 2 "GLY " " HA2" 1 0 0 1 31.91 1949 128 + 1950 25 -18.815000 -37.679000 -13.012000 129 " " T L 2 "THR " " N " 7 0 2 1 27.34 1950 129 + 1951 3 -19.138000 -36.304000 -12.653000 129 " " T L 2 "THR " " CA " 6 0 2 1 26.13 1951 129 + 1952 2 -18.000000 -35.369000 -13.041000 129 " " T L 2 "THR " " C " 6 0 2 1 25.2 1952 129 + 1953 15 -16.845000 -35.787000 -13.126000 129 " " T L 2 "THR " " O " 8 0 2 1 26.25 1953 129 + 1954 3 -19.457000 -36.189000 -11.142000 129 " " T L 2 "THR " " CB " 6 0 2 1 28.76 1954 129 + 1955 16 -20.535000 -37.076000 -10.823000 129 " " T L 2 "THR " " OG1" 8 0 2 1 29.06 1955 129 + 1956 3 -19.878000 -34.771000 -10.768000 129 " " T L 2 "THR " " CG2" 6 0 2 1 29.82 1956 129 + 1957 43 -17.919000 -38.051000 -12.731000 129 " " T L 2 "THR " " H " 1 0 2 1 27.34 1957 129 + 1958 41 -20.026000 -36.007000 -13.211000 129 " " T L 2 "THR " " HA " 1 0 2 1 26.13 1958 129 + 1959 41 -18.576000 -36.469000 -10.564000 129 " " T L 2 "THR " " HB " 1 0 2 1 28.76 1959 129 + 1960 42 -20.280000 -37.978000 -11.032000 129 " " T L 2 "THR " " HG1" 1 0 2 1 29.06 1960 129 + 1961 41 -20.095000 -34.725000 -9.701000 129 " " T L 2 "THR " "HG21" 1 0 2 1 29.82 1961 129 + 1962 41 -19.071000 -34.078000 -11.004000 129 " " T L 2 "THR " "HG22" 1 0 2 1 29.82 1962 129 + 1963 41 -20.770000 -34.496000 -11.331000 129 " " T L 2 "THR " "HG23" 1 0 2 1 29.82 1963 129 + 1964 25 -18.345000 -34.107000 -13.286000 130 " " A L 2 "ALA " " N " 7 0 2 1 24.36 1964 130 + 1965 3 -17.377000 -33.079000 -13.622000 130 " " A L 2 "ALA " " CA " 6 0 2 1 23.51 1965 130 + 1966 2 -17.625000 -31.836000 -12.777000 130 " " A L 2 "ALA " " C " 6 0 2 1 25.26 1966 130 + 1967 15 -18.657000 -31.170000 -12.938000 130 " " A L 2 "ALA " " O " 8 0 2 1 25.58 1967 130 + 1968 3 -17.479000 -32.736000 -15.097000 130 " " A L 2 "ALA " " CB " 6 0 2 1 23.64 1968 130 + 1969 43 -19.316000 -33.831000 -13.242000 130 " " A L 2 "ALA " " H " 1 0 2 1 24.36 1969 130 + 1970 41 -16.375000 -33.454000 -13.414000 130 " " A L 2 "ALA " " HA " 1 0 2 1 23.51 1970 130 + 1971 41 -16.750000 -31.964000 -15.342000 130 " " A L 2 "ALA " " HB1" 1 0 2 1 23.64 1971 130 + 1972 41 -17.278000 -33.627000 -15.692000 130 " " A L 2 "ALA " " HB2" 1 0 2 1 23.64 1972 130 + 1973 41 -18.482000 -32.371000 -15.317000 130 " " A L 2 "ALA " " HB3" 1 0 2 1 23.64 1973 130 + 1974 25 -16.691000 -31.541000 -11.872000 131 " " S L 2 "SER " " N " 7 0 2 1 23.07 1974 131 + 1975 3 -16.703000 -30.290000 -11.110000 131 " " S L 2 "SER " " CA " 6 0 2 1 23.83 1975 131 + 1976 2 -15.665000 -29.323000 -11.663000 131 " " S L 2 "SER " " C " 6 0 2 1 23.69 1976 131 + 1977 15 -14.487000 -29.675000 -11.794000 131 " " S L 2 "SER " " O " 8 0 2 1 21.48 1977 131 + 1978 3 -16.465000 -30.536000 -9.615000 131 " " S L 2 "SER " " CB " 6 0 2 1 26.91 1978 131 + 1979 16 -17.468000 -31.381000 -9.074000 131 " " S L 2 "SER " " OG " 8 0 2 1 27.92 1979 131 + 1980 43 -15.940000 -32.191000 -11.691000 131 " " S L 2 "SER " " H " 1 0 2 1 23.07 1980 131 + 1981 41 -17.686000 -29.833000 -11.225000 131 " " S L 2 "SER " " HA " 1 0 2 1 23.83 1981 131 + 1982 41 -16.469000 -29.583000 -9.085000 131 " " S L 2 "SER " " HB3" 1 0 2 1 26.91 1982 131 + 1983 41 -15.487000 -30.997000 -9.474000 131 " " S L 2 "SER " " HB2" 1 0 2 1 26.91 1983 131 + 1984 42 -18.186000 -30.846000 -8.729000 131 " " S L 2 "SER " " HG " 1 0 2 1 27.92 1984 131 + 1985 25 -16.120000 -28.111000 -11.996000 132 " " V L 2 "VAL " " N " 7 0 2 1 20.98 1985 132 + 1986 3 -15.250000 -27.042000 -12.462000 132 " " V L 2 "VAL " " CA " 6 0 2 1 20.53 1986 132 + 1987 2 -15.181000 -25.974000 -11.380000 132 " " V L 2 "VAL " " C " 6 0 2 1 18.2 1987 132 + 1988 15 -16.233000 -25.533000 -10.891000 132 " " V L 2 "VAL " " O " 8 0 2 1 23.62 1988 132 + 1989 3 -15.763000 -26.393000 -13.764000 132 " " V L 2 "VAL " " CB " 6 0 2 1 18.67 1989 132 + 1990 3 -14.673000 -25.496000 -14.367000 132 " " V L 2 "VAL " " CG1" 6 0 2 1 20.23 1990 132 + 1991 3 -16.172000 -27.458000 -14.788000 132 " " V L 2 "VAL " " CG2" 6 0 2 1 20.81 1991 132 + 1992 43 -17.107000 -27.906000 -11.929000 132 " " V L 2 "VAL " " H " 1 0 2 1 20.98 1992 132 + 1993 41 -14.251000 -27.443000 -12.632000 132 " " V L 2 "VAL " " HA " 1 0 2 1 20.53 1993 132 + 1994 41 -16.633000 -25.779000 -13.530000 132 " " V L 2 "VAL " " HB " 1 0 2 1 18.67 1994 132 + 1995 41 -15.043000 -25.041000 -15.286000 132 " " V L 2 "VAL " "HG11" 1 0 2 1 20.23 1995 132 + 1996 41 -14.411000 -24.713000 -13.655000 132 " " V L 2 "VAL " "HG12" 1 0 2 1 20.23 1996 132 + 1997 41 -13.790000 -26.095000 -14.589000 132 " " V L 2 "VAL " "HG13" 1 0 2 1 20.23 1997 132 + 1998 41 -16.530000 -26.972000 -15.696000 132 " " V L 2 "VAL " "HG21" 1 0 2 1 20.81 1998 132 + 1999 41 -15.311000 -28.083000 -15.026000 132 " " V L 2 "VAL " "HG22" 1 0 2 1 20.81 1999 132 + 2000 41 -16.966000 -28.077000 -14.371000 132 " " V L 2 "VAL " "HG23" 1 0 2 1 20.81 2000 132 + 2001 25 -13.962000 -25.558000 -11.016000 133 " " V L 2 "VAL " " N " 7 0 2 1 17.57 2001 133 + 2002 3 -13.766000 -24.633000 -9.901000 133 " " V L 2 "VAL " " CA " 6 0 2 1 18.91 2002 133 + 2003 2 -13.219000 -23.295000 -10.353000 133 " " V L 2 "VAL " " C " 6 0 2 1 24.4 2003 133 + 2004 15 -12.226000 -23.212000 -11.089000 133 " " V L 2 "VAL " " O " 8 0 2 1 24.9 2004 133 + 2005 3 -12.885000 -25.254000 -8.768000 133 " " V L 2 "VAL " " CB " 6 0 2 1 19.28 2005 133 + 2006 3 -12.615000 -24.233000 -7.619000 133 " " V L 2 "VAL " " CG1" 6 0 2 1 19.68 2006 133 + 2007 3 -13.556000 -26.509000 -8.217000 133 " " V L 2 "VAL " " CG2" 6 0 2 1 22.3 2007 133 + 2008 43 -13.147000 -25.884000 -11.516000 133 " " V L 2 "VAL " " H " 1 0 2 1 17.57 2008 133 + 2009 41 -14.749000 -24.444000 -9.470000 133 " " V L 2 "VAL " " HA " 1 0 2 1 18.91 2009 133 + 2010 41 -11.927000 -25.542000 -9.200000 133 " " V L 2 "VAL " " HB " 1 0 2 1 19.28 2010 133 + 2011 41 -12.000000 -24.703000 -6.852000 133 " " V L 2 "VAL " "HG11" 1 0 2 1 19.68 2011 133 + 2012 41 -12.094000 -23.364000 -8.020000 133 " " V L 2 "VAL " "HG12" 1 0 2 1 19.68 2012 133 + 2013 41 -13.563000 -23.918000 -7.182000 133 " " V L 2 "VAL " "HG13" 1 0 2 1 19.68 2013 133 + 2014 41 -12.937000 -26.936000 -7.428000 133 " " V L 2 "VAL " "HG21" 1 0 2 1 22.3 2014 133 + 2015 41 -14.534000 -26.250000 -7.811000 133 " " V L 2 "VAL " "HG22" 1 0 2 1 22.3 2015 133 + 2016 41 -13.677000 -27.238000 -9.018000 133 " " V L 2 "VAL " "HG23" 1 0 2 1 22.3 2016 133 + 2017 25 -13.879000 -22.242000 -9.904000 134 " " C L 2 "CYS " " N " 7 0 2 1 19.87 2017 134 + 2018 3 -13.383000 -20.897000 -10.105000 134 " " C L 2 "CYS " " CA " 6 0 2 1 21.53 2018 134 + 2019 2 -12.971000 -20.316000 -8.757000 134 " " C L 2 "CYS " " C " 6 0 2 1 23.39 2019 134 + 2020 15 -13.755000 -20.345000 -7.799000 134 " " C L 2 "CYS " " O " 8 0 2 1 22.96 2020 134 + 2021 3 -14.476000 -20.027000 -10.720000 134 " " C L 2 "CYS " " CB " 6 0 2 1 21.67 2021 134 + 2022 49 -13.827000 -18.441000 -11.194000 134 " " C L 2 "CYS " " SG " 16 0 2 1 27.54 2022 134 + 2023 43 -14.750000 -22.366000 -9.408000 134 " " C L 2 "CYS " " H " 1 0 2 1 19.87 2023 134 + 2024 41 -12.520000 -20.922000 -10.770000 134 " " C L 2 "CYS " " HA " 1 0 2 1 21.53 2024 134 + 2025 41 -15.280000 -19.889000 -9.997000 134 " " C L 2 "CYS " " HB3" 1 0 2 1 21.67 2025 134 + 2026 41 -14.888000 -20.527000 -11.596000 134 " " C L 2 "CYS " " HB2" 1 0 2 1 21.67 2026 134 + 2027 25 -11.742000 -19.803000 -8.691000 135 " " L L 2 "LEU " " N " 7 0 2 1 21.5 2027 135 + 2028 3 -11.166000 -19.299000 -7.455000 135 " " L L 2 "LEU " " CA " 6 0 2 1 20.64 2028 135 + 2029 2 -10.938000 -17.790000 -7.558000 135 " " L L 2 "LEU " " C " 6 0 2 1 20.85 2029 135 + 2030 15 -10.338000 -17.323000 -8.525000 135 " " L L 2 "LEU " " O " 8 0 2 1 21.49 2030 135 + 2031 3 -9.834000 -20.023000 -7.139000 135 " " L L 2 "LEU " " CB " 6 0 2 1 22.73 2031 135 + 2032 3 -9.011000 -19.422000 -5.994000 135 " " L L 2 "LEU " " CG " 6 0 2 1 19.06 2032 135 + 2033 3 -9.791000 -19.533000 -4.664000 135 " " L L 2 "LEU " " CD1" 6 0 2 1 20.73 2033 135 + 2034 3 -7.660000 -20.132000 -5.862000 135 " " L L 2 "LEU " " CD2" 6 0 2 1 23.3 2034 135 + 2035 43 -11.170000 -19.753000 -9.522000 135 " " L L 2 "LEU " " H " 1 0 2 1 21.5 2035 135 + 2036 41 -11.867000 -19.490000 -6.642000 135 " " L L 2 "LEU " " HA " 1 0 2 1 20.64 2036 135 + 2037 41 -9.222000 -20.061000 -8.040000 135 " " L L 2 "LEU " " HB3" 1 0 2 1 22.73 2037 135 + 2038 41 -10.037000 -21.072000 -6.925000 135 " " L L 2 "LEU " " HB2" 1 0 2 1 22.73 2038 135 + 2039 41 -8.833000 -18.368000 -6.208000 135 " " L L 2 "LEU " " HG " 1 0 2 1 19.06 2039 135 + 2040 41 -9.197000 -19.103000 -3.857000 135 " " L L 2 "LEU " "HD11" 1 0 2 1 20.73 2040 135 + 2041 41 -10.734000 -18.992000 -4.749000 135 " " L L 2 "LEU " "HD12" 1 0 2 1 20.73 2041 135 + 2042 41 -9.993000 -20.582000 -4.447000 135 " " L L 2 "LEU " "HD13" 1 0 2 1 20.73 2042 135 + 2043 41 -7.094000 -19.688000 -5.043000 135 " " L L 2 "LEU " "HD21" 1 0 2 1 23.3 2043 135 + 2044 41 -7.823000 -21.190000 -5.658000 135 " " L L 2 "LEU " "HD22" 1 0 2 1 23.3 2044 135 + 2045 41 -7.100000 -20.024000 -6.791000 135 " " L L 2 "LEU " "HD23" 1 0 2 1 23.3 2045 135 + 2046 25 -11.429000 -17.054000 -6.562000 136 " " L L 2 "LEU " " N " 7 0 2 1 18.62 2046 136 + 2047 3 -11.199000 -15.618000 -6.439000 136 " " L L 2 "LEU " " CA " 6 0 2 1 22.33 2047 136 + 2048 2 -10.392000 -15.380000 -5.173000 136 " " L L 2 "LEU " " C " 6 0 2 1 22 2048 136 + 2049 15 -10.895000 -15.576000 -4.057000 136 " " L L 2 "LEU " " O " 8 0 2 1 21.44 2049 136 + 2050 3 -12.520000 -14.854000 -6.333000 136 " " L L 2 "LEU " " CB " 6 0 2 1 21.14 2050 136 + 2051 3 -13.388000 -14.593000 -7.560000 136 " " L L 2 "LEU " " CG " 6 0 2 1 22.12 2051 136 + 2052 3 -13.897000 -15.887000 -8.137000 136 " " L L 2 "LEU " " CD1" 6 0 2 1 20.72 2052 136 + 2053 3 -14.551000 -13.701000 -7.098000 136 " " L L 2 "LEU " " CD2" 6 0 2 1 22.27 2053 136 + 2054 43 -11.991000 -17.487000 -5.844000 136 " " L L 2 "LEU " " H " 1 0 2 1 18.62 2054 136 + 2055 41 -10.638000 -15.262000 -7.303000 136 " " L L 2 "LEU " " HA " 1 0 2 1 22.33 2055 136 + 2056 41 -12.339000 -13.908000 -5.823000 136 " " L L 2 "LEU " " HB3" 1 0 2 1 21.14 2056 136 + 2057 41 -13.134000 -15.318000 -5.561000 136 " " L L 2 "LEU " " HB2" 1 0 2 1 21.14 2057 136 + 2058 41 -12.803000 -14.065000 -8.313000 136 " " L L 2 "LEU " " HG " 1 0 2 1 22.12 2058 136 + 2059 41 -14.514000 -15.678000 -9.011000 136 " " L L 2 "LEU " "HD11" 1 0 2 1 20.72 2059 136 + 2060 41 -13.053000 -16.512000 -8.429000 136 " " L L 2 "LEU " "HD12" 1 0 2 1 20.72 2060 136 + 2061 41 -14.493000 -16.409000 -7.389000 136 " " L L 2 "LEU " "HD13" 1 0 2 1 20.72 2061 136 + 2062 41 -15.203000 -13.486000 -7.945000 136 " " L L 2 "LEU " "HD21" 1 0 2 1 22.27 2062 136 + 2063 41 -15.120000 -14.216000 -6.324000 136 " " L L 2 "LEU " "HD22" 1 0 2 1 22.27 2063 136 + 2064 41 -14.156000 -12.767000 -6.697000 136 " " L L 2 "LEU " "HD23" 1 0 2 1 22.27 2064 136 + 2065 25 -9.155000 -14.926000 -5.340000 137 " " N L 2 "ASN " " N " 7 0 0 1 20.68 2065 137 + 2066 3 -8.214000 -14.926000 -4.231000 137 " " N L 2 "ASN " " CA " 6 0 0 1 22.76 2066 137 + 2067 2 -7.910000 -13.542000 -3.681000 137 " " N L 2 "ASN " " C " 6 0 0 1 20.42 2067 137 + 2068 15 -7.583000 -12.639000 -4.439000 137 " " N L 2 "ASN " " O " 8 0 0 1 22.97 2068 137 + 2069 3 -6.916000 -15.582000 -4.693000 137 " " N L 2 "ASN " " CB " 6 0 0 1 24.99 2069 137 + 2070 2 -6.506000 -16.708000 -3.810000 137 " " N L 2 "ASN " " CG " 6 0 0 1 37.48 2070 137 + 2071 15 -7.283000 -17.641000 -3.567000 137 " " N L 2 "ASN " " OD1" 8 0 0 1 41.43 2071 137 + 2072 25 -5.281000 -16.644000 -3.312000 137 " " N L 2 "ASN " " ND2" 7 0 0 1 42.77 2072 137 + 2073 43 -8.862000 -14.578000 -6.242000 137 " " N L 2 "ASN " " H " 1 0 0 1 20.68 2073 137 + 2074 41 -8.634000 -15.529000 -3.426000 137 " " N L 2 "ASN " " HA " 1 0 0 1 22.76 2074 137 + 2075 41 -6.122000 -14.835000 -4.720000 137 " " N L 2 "ASN " " HB3" 1 0 0 1 24.99 2075 137 + 2076 41 -7.037000 -15.947000 -5.713000 137 " " N L 2 "ASN " " HB2" 1 0 0 1 24.99 2076 137 + 2077 43 -4.943000 -17.378000 -2.706000 137 " " N L 2 "ASN " "HD22" 1 0 0 1 42.77 2077 137 + 2078 43 -4.684000 -15.861000 -3.538000 137 " " N L 2 "ASN " "HD21" 1 0 0 1 42.77 2078 137 + 2079 25 -8.012000 -13.396000 -2.359000 138 " " N L 2 "ASN " " N " 7 0 0 1 20.99 2079 138 + 2080 3 -7.578000 -12.201000 -1.627000 138 " " N L 2 "ASN " " CA " 6 0 0 1 20.06 2080 138 + 2081 2 -8.136000 -10.878000 -2.158000 138 " " N L 2 "ASN " " C " 6 0 0 1 22.27 2081 138 + 2082 15 -7.385000 -10.021000 -2.613000 138 " " N L 2 "ASN " " O " 8 0 0 1 20.8 2082 138 + 2083 3 -6.050000 -12.142000 -1.525000 138 " " N L 2 "ASN " " CB " 6 0 0 1 23.83 2083 138 + 2084 2 -5.487000 -13.274000 -0.668000 138 " " N L 2 "ASN " " CG " 6 0 0 1 28.5 2084 138 + 2085 15 -5.490000 -14.466000 -1.215000 138 " " N L 2 "ASN " " OD1" 8 0 0 1 36.68 2085 138 + 2086 25 -5.081000 -13.073000 0.484000 138 " " N L 2 "ASN " " ND2" 7 0 0 1 25.63 2086 138 + 2087 43 -8.409000 -14.137000 -1.798000 138 " " N L 2 "ASN " " H " 1 0 0 1 20.99 2087 138 + 2088 41 -7.952000 -12.309000 -0.609000 138 " " N L 2 "ASN " " HA " 1 0 0 1 20.06 2088 138 + 2089 41 -5.752000 -11.183000 -1.101000 138 " " N L 2 "ASN " " HB3" 1 0 0 1 23.83 2089 138 + 2090 41 -5.618000 -12.194000 -2.524000 138 " " N L 2 "ASN " " HB2" 1 0 0 1 23.83 2090 138 + 2091 43 -4.713000 -13.839000 1.031000 138 " " N L 2 "ASN " "HD22" 1 0 0 1 25.63 2091 138 + 2092 43 -5.118000 -12.143000 0.877000 138 " " N L 2 "ASN " "HD21" 1 0 0 1 25.63 2092 138 + 2093 25 -9.450000 -10.719000 -2.053000 139 " " F L 2 "PHE " " N " 7 0 2 1 18.52 2093 139 + 2094 3 -10.123000 -9.489000 -2.479000 139 " " F L 2 "PHE " " CA " 6 0 2 1 16.76 2094 139 + 2095 2 -10.852000 -8.765000 -1.341000 139 " " F L 2 "PHE " " C " 6 0 2 1 18.95 2095 139 + 2096 15 -11.124000 -9.335000 -0.275000 139 " " F L 2 "PHE " " O " 8 0 2 1 19.4 2096 139 + 2097 3 -11.078000 -9.778000 -3.649000 139 " " F L 2 "PHE " " CB " 6 0 2 1 19.91 2097 139 + 2098 2 -12.187000 -10.761000 -3.319000 139 " " F L 2 "PHE " " CG " 6 0 2 1 21.79 2098 139 + 2099 2 -13.414000 -10.304000 -2.848000 139 " " F L 2 "PHE " " CD1" 6 0 2 1 20.95 2099 139 + 2100 2 -12.001000 -12.137000 -3.493000 139 " " F L 2 "PHE " " CD2" 6 0 2 1 19.91 2100 139 + 2101 2 -14.458000 -11.212000 -2.539000 139 " " F L 2 "PHE " " CE1" 6 0 2 1 23.99 2101 139 + 2102 2 -13.036000 -13.062000 -3.186000 139 " " F L 2 "PHE " " CE2" 6 0 2 1 22.59 2102 139 + 2103 2 -14.271000 -12.590000 -2.719000 139 " " F L 2 "PHE " " CZ " 6 0 2 1 23.68 2103 139 + 2104 43 -10.019000 -11.460000 -1.669000 139 " " F L 2 "PHE " " H " 1 0 2 1 18.52 2104 139 + 2105 41 -9.353000 -8.813000 -2.851000 139 " " F L 2 "PHE " " HA " 1 0 2 1 16.76 2105 139 + 2106 41 -10.506000 -10.151000 -4.499000 139 " " F L 2 "PHE " " HB3" 1 0 2 1 19.91 2106 139 + 2107 41 -11.516000 -8.843000 -3.997000 139 " " F L 2 "PHE " " HB2" 1 0 2 1 19.91 2107 139 + 2108 41 -13.581000 -9.245000 -2.714000 139 " " F L 2 "PHE " " HD1" 1 0 2 1 20.95 2108 139 + 2109 41 -11.059000 -12.512000 -3.866000 139 " " F L 2 "PHE " " HD2" 1 0 2 1 19.91 2109 139 + 2110 41 -15.401000 -10.843000 -2.164000 139 " " F L 2 "PHE " " HE1" 1 0 2 1 23.99 2110 139 + 2111 41 -12.869000 -14.121000 -3.313000 139 " " F L 2 "PHE " " HE2" 1 0 2 1 22.59 2111 139 + 2112 41 -15.074000 -13.277000 -2.498000 139 " " F L 2 "PHE " " HZ " 1 0 2 1 23.68 2112 139 + 2113 25 -11.144000 -7.486000 -1.573000 140 " " Y L 2 "TYR " " N " 7 0 2 1 18.05 2113 140 + 2114 3 -11.902000 -6.667000 -0.623000 140 " " Y L 2 "TYR " " CA " 6 0 2 1 20.33 2114 140 + 2115 2 -12.634000 -5.576000 -1.414000 140 " " Y L 2 "TYR " " C " 6 0 2 1 19.33 2115 140 + 2116 15 -12.043000 -4.971000 -2.308000 140 " " Y L 2 "TYR " " O " 8 0 2 1 20.37 2116 140 + 2117 3 -10.992000 -6.039000 0.458000 140 " " Y L 2 "TYR " " CB " 6 0 2 1 19.38 2117 140 + 2118 2 -11.843000 -5.397000 1.532000 140 " " Y L 2 "TYR " " CG " 6 0 2 1 19.79 2118 140 + 2119 2 -12.291000 -4.082000 1.397000 140 " " Y L 2 "TYR " " CD1" 6 0 2 1 22.21 2119 140 + 2120 2 -12.277000 -6.134000 2.635000 140 " " Y L 2 "TYR " " CD2" 6 0 2 1 19.14 2120 140 + 2121 2 -13.116000 -3.497000 2.351000 140 " " Y L 2 "TYR " " CE1" 6 0 2 1 21.57 2121 140 + 2122 2 -13.096000 -5.560000 3.587000 140 " " Y L 2 "TYR " " CE2" 6 0 2 1 21.35 2122 140 + 2123 2 -13.510000 -4.248000 3.442000 140 " " Y L 2 "TYR " " CZ " 6 0 2 1 20.5 2123 140 + 2124 16 -14.338000 -3.677000 4.373000 140 " " Y L 2 "TYR " " OH " 8 0 2 1 22.01 2124 140 + 2125 43 -10.840000 -7.046000 -2.430000 140 " " Y L 2 "TYR " " H " 1 0 2 1 18.05 2125 140 + 2126 41 -12.643000 -7.298000 -0.132000 140 " " Y L 2 "TYR " " HA " 1 0 2 1 20.33 2126 140 + 2127 41 -10.353000 -5.283000 0.001000 140 " " Y L 2 "TYR " " HB3" 1 0 2 1 19.38 2127 140 + 2128 41 -10.369000 -6.815000 0.904000 140 " " Y L 2 "TYR " " HB2" 1 0 2 1 19.38 2128 140 + 2129 41 -11.997000 -3.497000 0.538000 140 " " Y L 2 "TYR " " HD1" 1 0 2 1 22.21 2129 140 + 2130 41 -11.972000 -7.164000 2.750000 140 " " Y L 2 "TYR " " HD2" 1 0 2 1 19.14 2130 140 + 2131 41 -13.438000 -2.473000 2.232000 140 " " Y L 2 "TYR " " HE1" 1 0 2 1 21.57 2131 140 + 2132 41 -13.413000 -6.135000 4.444000 140 " " Y L 2 "TYR " " HE2" 1 0 2 1 21.35 2132 140 + 2133 42 -14.525000 -4.312000 5.068000 140 " " Y L 2 "TYR " " HH " 1 0 2 1 22.01 2133 140 + 2134 25 -13.924000 -5.319000 -1.105000 141 " " P L 2 "PRO " " N " 7 0 0 1 20.54 2134 141 + 2135 3 -14.779000 -5.961000 -0.090000 141 " " P L 2 "PRO " " CA " 6 0 0 1 20.24 2135 141 + 2136 2 -15.342000 -7.313000 -0.520000 141 " " P L 2 "PRO " " C " 6 0 0 1 23.05 2136 141 + 2137 15 -15.065000 -7.786000 -1.615000 141 " " P L 2 "PRO " " O " 8 0 0 1 19.01 2137 141 + 2138 3 -15.903000 -4.939000 0.109000 141 " " P L 2 "PRO " " CB " 6 0 0 1 21.52 2138 141 + 2139 3 -16.023000 -4.257000 -1.231000 141 " " P L 2 "PRO " " CG " 6 0 0 1 21.01 2139 141 + 2140 3 -14.633000 -4.234000 -1.821000 141 " " P L 2 "PRO " " CD " 6 0 0 1 20.92 2140 141 + 2141 41 -14.221000 -6.076000 0.839000 141 " " P L 2 "PRO " " HA " 1 0 0 1 20.24 2141 141 + 2142 41 -15.598000 -4.209000 0.859000 141 " " P L 2 "PRO " " HB3" 1 0 0 1 21.52 2142 141 + 2143 41 -16.832000 -5.464000 0.331000 141 " " P L 2 "PRO " " HB2" 1 0 0 1 21.52 2143 141 + 2144 41 -16.372000 -3.235000 -1.087000 141 " " P L 2 "PRO " " HG3" 1 0 0 1 21.01 2144 141 + 2145 41 -16.681000 -4.839000 -1.876000 141 " " P L 2 "PRO " " HG2" 1 0 0 1 21.01 2145 141 + 2146 41 -14.688000 -4.478000 -2.882000 141 " " P L 2 "PRO " " HD2" 1 0 0 1 20.92 2146 141 + 2147 41 -14.159000 -3.280000 -1.590000 141 " " P L 2 "PRO " " HD3" 1 0 0 1 20.92 2147 141 + 2148 25 -16.144000 -7.914000 0.353000 142 " " R L 2 "ARG " " N " 7 0 0 1 21.71 2148 142 + 2149 3 -16.752000 -9.220000 0.112000 142 " " R L 2 "ARG " " CA " 6 0 0 1 27.95 2149 142 + 2150 2 -17.616000 -9.293000 -1.150000 142 " " R L 2 "ARG " " C " 6 0 0 1 27.58 2150 142 + 2151 15 -17.756000 -10.362000 -1.745000 142 " " R L 2 "ARG " " O " 8 0 0 1 28.88 2151 142 + 2152 3 -17.610000 -9.576000 1.323000 142 " " R L 2 "ARG " " CB " 6 0 0 1 32.48 2152 142 + 2153 3 -17.460000 -10.974000 1.812000 142 " " R L 2 "ARG " " CG " 6 0 0 1 39.46 2153 142 + 2154 3 -18.263000 -11.157000 3.099000 142 " " R L 2 "ARG " " CD " 6 0 0 1 43.78 2154 142 + 2155 25 -18.006000 -10.089000 4.070000 142 " " R L 2 "ARG " " NE " 7 0 0 1 45.79 2155 142 + 2156 2 -18.415000 -10.110000 5.336000 142 " " R L 2 "ARG " " CZ " 6 0 0 1 49.66 2156 142 + 2157 25 -18.127000 -9.092000 6.136000 142 " " R L 2 "ARG " " NH1" 7 0 0 1 51.33 2157 142 + 2158 31 -19.108000 -11.147000 5.806000 142 " " R L 2 "ARG " " NH2" 7 1 0 1 49.57 2158 142 + 2159 43 -16.359000 -7.467000 1.233000 142 " " R L 2 "ARG " " H " 1 0 0 1 21.71 2159 142 + 2160 41 -15.955000 -9.959000 0.026000 142 " " R L 2 "ARG " " HA " 1 0 0 1 27.95 2160 142 + 2161 41 -18.658000 -9.386000 1.091000 142 " " R L 2 "ARG " " HB3" 1 0 0 1 32.48 2161 142 + 2162 41 -17.391000 -8.884000 2.136000 142 " " R L 2 "ARG " " HB2" 1 0 0 1 32.48 2162 142 + 2163 41 -16.408000 -11.179000 2.008000 142 " " R L 2 "ARG " " HG3" 1 0 0 1 39.46 2163 142 + 2164 41 -17.827000 -11.665000 1.054000 142 " " R L 2 "ARG " " HG2" 1 0 0 1 39.46 2164 142 + 2165 41 -18.017000 -12.120000 3.546000 142 " " R L 2 "ARG " " HD3" 1 0 0 1 43.78 2165 142 + 2166 41 -19.327000 -11.183000 2.862000 142 " " R L 2 "ARG " " HD2" 1 0 0 1 43.78 2166 142 + 2167 43 -17.481000 -9.299000 3.722000 142 " " R L 2 "ARG " " HE " 1 0 0 1 45.79 2167 142 + 2168 43 -18.435000 -9.103000 7.098000 142 " " R L 2 "ARG " "HH12" 1 0 0 1 51.33 2168 142 + 2169 43 -17.600000 -8.306000 5.783000 142 " " R L 2 "ARG " "HH11" 1 0 0 1 51.33 2169 142 + 2170 44 -19.415000 -11.155000 6.768000 142 " " R L 2 "ARG " "HH22" 1 0 0 1 49.57 2170 142 + 2171 44 -19.326000 -11.925000 5.200000 142 " " R L 2 "ARG " "HH21" 1 0 0 1 49.57 2171 142 + 2172 25 -18.218000 -8.167000 -1.532000 143 " " E L 2 "GLU " " N " 7 0 0 1 27.65 2172 143 + 2173 3 -19.112000 -8.086000 -2.693000 143 " " E L 2 "GLU " " CA " 6 0 0 1 29.84 2173 143 + 2174 2 -18.392000 -8.474000 -3.996000 143 " " E L 2 "GLU " " C " 6 0 0 1 31.26 2174 143 + 2175 15 -17.473000 -7.789000 -4.415000 143 " " E L 2 "GLU " " O " 8 0 0 1 25.48 2175 143 + 2176 3 -19.685000 -6.668000 -2.826000 143 " " E L 2 "GLU " " CB " 6 0 0 1 34.18 2176 143 + 2177 3 -20.866000 -6.361000 -1.914000 143 " " E L 2 "GLU " " CG " 6 0 0 1 38.45 2177 143 + 2178 2 -20.491000 -6.002000 -0.475000 143 " " E L 2 "GLU " " CD " 6 0 0 1 43.04 2178 143 + 2179 15 -19.286000 -5.922000 -0.118000 143 " " E L 2 "GLU " " OE1" 8 0 0 1 35.29 2179 143 + 2180 18 -21.441000 -5.781000 0.311000 143 " " E L 2 "GLU " " OE2" 8 -1 0 1 45.43 2180 143 + 2181 43 -18.068000 -7.313000 -1.014000 143 " " E L 2 "GLU " " H " 1 0 0 1 27.65 2181 143 + 2182 41 -19.940000 -8.778000 -2.538000 143 " " E L 2 "GLU " " HA " 1 0 0 1 29.84 2182 143 + 2183 41 -19.974000 -6.492000 -3.862000 143 " " E L 2 "GLU " " HB3" 1 0 0 1 34.18 2183 143 + 2184 41 -18.893000 -5.941000 -2.647000 143 " " E L 2 "GLU " " HB2" 1 0 0 1 34.18 2184 143 + 2185 41 -21.547000 -7.212000 -1.908000 143 " " E L 2 "GLU " " HG3" 1 0 0 1 38.45 2185 143 + 2186 41 -21.454000 -5.552000 -2.346000 143 " " E L 2 "GLU " " HG2" 1 0 0 1 38.45 2186 143 + 2187 25 -18.830000 -9.577000 -4.611000 144 " " A L 2 "ALA " " N " 7 0 0 1 29.75 2187 144 + 2188 3 -18.241000 -10.117000 -5.848000 144 " " A L 2 "ALA " " CA " 6 0 0 1 29.75 2188 144 + 2189 2 -19.313000 -10.927000 -6.577000 144 " " A L 2 "ALA " " C " 6 0 0 1 32.84 2189 144 + 2190 15 -20.083000 -11.644000 -5.937000 144 " " A L 2 "ALA " " O " 8 0 0 1 31.43 2190 144 + 2191 3 -17.058000 -11.014000 -5.523000 144 " " A L 2 "ALA " " CB " 6 0 0 1 26.71 2191 144 + 2192 43 -19.610000 -10.093000 -4.229000 144 " " A L 2 "ALA " " H " 1 0 0 1 29.75 2192 144 + 2193 41 -17.911000 -9.295000 -6.483000 144 " " A L 2 "ALA " " HA " 1 0 0 1 29.75 2193 144 + 2194 41 -16.633000 -11.405000 -6.447000 144 " " A L 2 "ALA " " HB1" 1 0 0 1 26.71 2194 144 + 2195 41 -16.300000 -10.439000 -4.991000 144 " " A L 2 "ALA " " HB2" 1 0 0 1 26.71 2195 144 + 2196 41 -17.390000 -11.842000 -4.897000 144 " " A L 2 "ALA " " HB3" 1 0 0 1 26.71 2196 144 + 2197 25 -19.369000 -10.797000 -7.901000 145 " " K L 2 "LYS " " N " 7 0 2 1 29.95 2197 145 + 2198 3 -20.261000 -11.618000 -8.719000 145 " " K L 2 "LYS " " CA " 6 0 2 1 28.7 2198 145 + 2199 2 -19.453000 -12.624000 -9.555000 145 " " K L 2 "LYS " " C " 6 0 2 1 28.13 2199 145 + 2200 15 -18.514000 -12.247000 -10.248000 145 " " K L 2 "LYS " " O " 8 0 2 1 23.97 2200 145 + 2201 3 -21.114000 -10.733000 -9.614000 145 " " K L 2 "LYS " " CB " 6 0 2 1 33.87 2201 145 + 2202 3 -22.143000 -11.481000 -10.459000 145 " " K L 2 "LYS " " CG " 6 0 2 1 39.79 2202 145 + 2203 3 -23.102000 -10.519000 -11.143000 145 " " K L 2 "LYS " " CD " 6 0 2 1 43.91 2203 145 + 2204 3 -22.434000 -9.751000 -12.289000 145 " " K L 2 "LYS " " CE " 6 0 2 1 46.04 2204 145 + 2205 32 -23.327000 -8.680000 -12.836000 145 " " K L 2 "LYS " " NZ " 7 1 2 1 47.06 2205 145 + 2206 43 -18.785000 -10.117000 -8.367000 145 " " K L 2 "LYS " " H " 1 0 2 1 29.95 2206 145 + 2207 41 -20.922000 -12.175000 -8.055000 145 " " K L 2 "LYS " " HA " 1 0 2 1 28.7 2207 145 + 2208 41 -20.466000 -10.150000 -10.268000 145 " " K L 2 "LYS " " HB3" 1 0 2 1 33.87 2208 145 + 2209 41 -21.622000 -9.986000 -9.004000 145 " " K L 2 "LYS " " HB2" 1 0 2 1 33.87 2209 145 + 2210 41 -22.706000 -12.164000 -9.824000 145 " " K L 2 "LYS " " HG3" 1 0 2 1 39.79 2210 145 + 2211 41 -21.629000 -12.078000 -11.212000 145 " " K L 2 "LYS " " HG2" 1 0 2 1 39.79 2211 145 + 2212 41 -23.490000 -9.811000 -10.410000 145 " " K L 2 "LYS " " HD3" 1 0 2 1 43.91 2212 145 + 2213 41 -23.958000 -11.073000 -11.528000 145 " " K L 2 "LYS " " HD2" 1 0 2 1 43.91 2213 145 + 2214 41 -22.171000 -10.446000 -13.086000 145 " " K L 2 "LYS " " HE3" 1 0 2 1 46.04 2214 145 + 2215 41 -21.506000 -9.303000 -11.933000 145 " " K L 2 "LYS " " HE2" 1 0 2 1 46.04 2215 145 + 2216 44 -22.764000 -7.935000 -13.220000 145 " " K L 2 "LYS " " HZ1" 1 0 2 1 47.06 2216 145 + 2217 44 -23.913000 -9.068000 -13.562000 145 " " K L 2 "LYS " " HZ2" 1 0 2 1 47.06 2217 145 + 2218 44 -23.908000 -8.314000 -12.095000 145 " " K L 2 "LYS " " HZ3" 1 0 2 1 47.06 2218 145 + 2219 25 -19.810000 -13.902000 -9.442000 146 " " V L 2 "VAL " " N " 7 0 2 1 24.6 2219 146 + 2220 3 -19.290000 -14.952000 -10.308000 146 " " V L 2 "VAL " " CA " 6 0 2 1 23.84 2220 146 + 2221 2 -20.424000 -15.393000 -11.251000 146 " " V L 2 "VAL " " C " 6 0 2 1 24.72 2221 146 + 2222 15 -21.548000 -15.636000 -10.806000 146 " " V L 2 "VAL " " O " 8 0 2 1 29.13 2222 146 + 2223 3 -18.763000 -16.154000 -9.492000 146 " " V L 2 "VAL " " CB " 6 0 2 1 24.87 2223 146 + 2224 3 -18.403000 -17.343000 -10.404000 146 " " V L 2 "VAL " " CG1" 6 0 2 1 29.59 2224 146 + 2225 3 -17.565000 -15.743000 -8.649000 146 " " V L 2 "VAL " " CG2" 6 0 2 1 27.16 2225 146 + 2226 43 -20.470000 -14.181000 -8.731000 146 " " V L 2 "VAL " " H " 1 0 2 1 24.6 2226 146 + 2227 41 -18.473000 -14.545000 -10.904000 146 " " V L 2 "VAL " " HA " 1 0 2 1 23.84 2227 146 + 2228 41 -19.556000 -16.476000 -8.816000 146 " " V L 2 "VAL " " HB " 1 0 2 1 24.87 2228 146 + 2229 41 -18.036000 -18.170000 -9.796000 146 " " V L 2 "VAL " "HG11" 1 0 2 1 29.59 2229 146 + 2230 41 -19.289000 -17.662000 -10.953000 146 " " V L 2 "VAL " "HG12" 1 0 2 1 29.59 2230 146 + 2231 41 -17.629000 -17.040000 -11.109000 146 " " V L 2 "VAL " "HG13" 1 0 2 1 29.59 2231 146 + 2232 41 -17.208000 -16.602000 -8.081000 146 " " V L 2 "VAL " "HG21" 1 0 2 1 27.16 2232 146 + 2233 41 -16.769000 -15.382000 -9.300000 146 " " V L 2 "VAL " "HG22" 1 0 2 1 27.16 2233 146 + 2234 41 -17.859000 -14.950000 -7.961000 146 " " V L 2 "VAL " "HG23" 1 0 2 1 27.16 2234 146 + 2235 25 -20.124000 -15.445000 -12.543000 147 " " Q L 2 "GLN " " N " 7 0 2 1 23.07 2235 147 + 2236 3 -21.050000 -15.956000 -13.550000 147 " " Q L 2 "GLN " " CA " 6 0 2 1 27.7 2236 147 + 2237 2 -20.368000 -17.036000 -14.387000 147 " " Q L 2 "GLN " " C " 6 0 2 1 25.22 2237 147 + 2238 15 -19.313000 -16.804000 -14.986000 147 " " Q L 2 "GLN " " O " 8 0 2 1 20.87 2238 147 + 2239 3 -21.566000 -14.827000 -14.450000 147 " " Q L 2 "GLN " " CB " 6 0 2 1 30.12 2239 147 + 2240 3 -22.728000 -14.032000 -13.824000 147 " " Q L 2 "GLN " " CG " 6 0 2 1 37.2 2240 147 + 2241 2 -23.366000 -13.033000 -14.774000 147 " " Q L 2 "GLN " " CD " 6 0 2 1 38.54 2241 147 + 2242 15 -24.675000 -12.867000 -14.653000 147 " " Q L 2 "GLN " " OE1" 8 0 2 1 44.15 2242 147 + 2243 25 -22.690000 -12.404000 -15.594000 147 " " Q L 2 "GLN " " NE2" 7 0 2 1 42.23 2243 147 + 2244 43 -19.223000 -15.123000 -12.866000 147 " " Q L 2 "GLN " " H " 1 0 2 1 23.07 2244 147 + 2245 41 -21.902000 -16.404000 -13.038000 147 " " Q L 2 "GLN " " HA " 1 0 2 1 27.7 2245 147 + 2246 41 -21.886000 -15.243000 -15.405000 147 " " Q L 2 "GLN " " HB3" 1 0 2 1 30.12 2246 147 + 2247 41 -20.747000 -14.147000 -14.683000 147 " " Q L 2 "GLN " " HB2" 1 0 2 1 30.12 2247 147 + 2248 41 -22.372000 -13.510000 -12.936000 147 " " Q L 2 "GLN " " HG3" 1 0 2 1 37.2 2248 147 + 2249 41 -23.488000 -14.725000 -13.464000 147 " " Q L 2 "GLN " " HG2" 1 0 2 1 37.2 2249 147 + 2250 43 -23.135000 -11.745000 -16.216000 147 " " Q L 2 "GLN " "HE22" 1 0 2 1 42.23 2250 147 + 2251 43 -21.692000 -12.549000 -15.643000 147 " " Q L 2 "GLN " "HE21" 1 0 2 1 42.23 2251 147 + 2252 25 -20.969000 -18.220000 -14.410000 148 " " W L 2 "TRP " " N " 7 0 2 1 20.5 2252 148 + 2253 3 -20.449000 -19.316000 -15.211000 148 " " W L 2 "TRP " " CA " 6 0 2 1 18.86 2253 148 + 2254 2 -21.065000 -19.239000 -16.600000 148 " " W L 2 "TRP " " C " 6 0 2 1 19.3 2254 148 + 2255 15 -22.272000 -19.005000 -16.750000 148 " " W L 2 "TRP " " O " 8 0 2 1 20.67 2255 148 + 2256 3 -20.779000 -20.667000 -14.574000 148 " " W L 2 "TRP " " CB " 6 0 2 1 18.31 2256 148 + 2257 2 -19.944000 -21.017000 -13.402000 148 " " W L 2 "TRP " " CG " 6 0 2 1 19.97 2257 148 + 2258 2 -20.283000 -20.904000 -12.079000 148 " " W L 2 "TRP " " CD1" 6 0 2 1 20.47 2258 148 + 2259 2 -18.628000 -21.569000 -13.433000 148 " " W L 2 "TRP " " CD2" 6 0 2 1 21.89 2259 148 + 2260 25 -19.252000 -21.352000 -11.285000 148 " " W L 2 "TRP " " NE1" 7 0 2 1 21.11 2260 148 + 2261 2 -18.223000 -21.764000 -12.090000 148 " " W L 2 "TRP " " CE2" 6 0 2 1 20.76 2261 148 + 2262 2 -17.742000 -21.914000 -14.469000 148 " " W L 2 "TRP " " CE3" 6 0 2 1 22.13 2262 148 + 2263 2 -16.977000 -22.279000 -11.754000 148 " " W L 2 "TRP " " CZ2" 6 0 2 1 19.42 2263 148 + 2264 2 -16.499000 -22.437000 -14.129000 148 " " W L 2 "TRP " " CZ3" 6 0 2 1 18.7 2264 148 + 2265 2 -16.130000 -22.612000 -12.789000 148 " " W L 2 "TRP " " CH2" 6 0 2 1 18.62 2265 148 + 2266 43 -21.805000 -18.373000 -13.864000 148 " " W L 2 "TRP " " H " 1 0 2 1 20.5 2266 148 + 2267 41 -19.367000 -19.215000 -15.294000 148 " " W L 2 "TRP " " HA " 1 0 2 1 18.86 2267 148 + 2268 41 -20.692000 -21.451000 -15.326000 148 " " W L 2 "TRP " " HB3" 1 0 2 1 18.31 2268 148 + 2269 41 -21.830000 -20.683000 -14.286000 148 " " W L 2 "TRP " " HB2" 1 0 2 1 18.31 2269 148 + 2270 41 -21.248000 -20.507000 -11.801000 148 " " W L 2 "TRP " " HD1" 1 0 2 1 20.47 2270 148 + 2271 43 -19.345000 -21.335000 -10.279000 148 " " W L 2 "TRP " " HE1" 1 0 2 1 21.11 2271 148 + 2272 41 -18.034000 -21.771000 -15.499000 148 " " W L 2 "TRP " " HE3" 1 0 2 1 22.13 2272 148 + 2273 41 -16.706000 -22.404000 -10.716000 148 " " W L 2 "TRP " " HZ2" 1 0 2 1 19.42 2273 148 + 2274 41 -15.800000 -22.716000 -14.904000 148 " " W L 2 "TRP " " HZ3" 1 0 2 1 18.7 2274 148 + 2275 41 -15.153000 -23.020000 -12.577000 148 " " W L 2 "TRP " " HH2" 1 0 2 1 18.62 2275 148 + 2276 25 -20.220000 -19.414000 -17.612000 149 " " K L 2 "LYS " " N " 7 0 2 1 21.48 2276 149 + 2277 3 -20.665000 -19.526000 -18.998000 149 " " K L 2 "LYS " " CA " 6 0 2 1 24.83 2277 149 + 2278 2 -20.107000 -20.808000 -19.605000 149 " " K L 2 "LYS " " C " 6 0 2 1 23.13 2278 149 + 2279 15 -18.941000 -21.179000 -19.383000 149 " " K L 2 "LYS " " O " 8 0 2 1 22.16 2279 149 + 2280 3 -20.245000 -18.309000 -19.825000 149 " " K L 2 "LYS " " CB " 6 0 2 1 25.85 2280 149 + 2281 3 -20.683000 -16.967000 -19.248000 149 " " K L 2 "LYS " " CG " 6 0 2 1 31.01 2281 149 + 2282 3 -20.294000 -15.813000 -20.146000 149 " " K L 2 "LYS " " CD " 6 0 2 1 31.83 2282 149 + 2283 3 -20.495000 -14.488000 -19.426000 149 " " K L 2 "LYS " " CE " 6 0 2 1 38.62 2283 149 + 2284 32 -20.669000 -13.365000 -20.390000 149 " " K L 2 "LYS " " NZ " 7 1 2 1 40.94 2284 149 + 2285 43 -19.227000 -19.474000 -17.436000 149 " " K L 2 "LYS " " H " 1 0 2 1 21.48 2285 149 + 2286 41 -21.753000 -19.588000 -19.006000 149 " " K L 2 "LYS " " HA " 1 0 2 1 24.83 2286 149 + 2287 41 -20.633000 -18.410000 -20.839000 149 " " K L 2 "LYS " " HB3" 1 0 2 1 25.85 2287 149 + 2288 41 -19.162000 -18.313000 -19.948000 149 " " K L 2 "LYS " " HB2" 1 0 2 1 25.85 2288 149 + 2289 41 -20.231000 -16.830000 -18.265000 149 " " K L 2 "LYS " " HG3" 1 0 2 1 31.01 2289 149 + 2290 41 -21.764000 -16.968000 -19.107000 149 " " K L 2 "LYS " " HG2" 1 0 2 1 31.01 2290 149 + 2291 41 -20.906000 -15.833000 -21.048000 149 " " K L 2 "LYS " " HD3" 1 0 2 1 31.83 2291 149 + 2292 41 -19.248000 -15.914000 -20.435000 149 " " K L 2 "LYS " " HD2" 1 0 2 1 31.83 2292 149 + 2293 41 -19.635000 -14.288000 -18.787000 149 " " K L 2 "LYS " " HE3" 1 0 2 1 38.62 2293 149 + 2294 41 -21.373000 -14.554000 -18.783000 149 " " K L 2 "LYS " " HE2" 1 0 2 1 38.62 2294 149 + 2295 44 -21.478000 -13.540000 -20.969000 149 " " K L 2 "LYS " " HZ1" 1 0 2 1 40.94 2295 149 + 2296 44 -20.800000 -12.502000 -19.882000 149 " " K L 2 "LYS " " HZ2" 1 0 2 1 40.94 2296 149 + 2297 44 -19.848000 -13.291000 -20.973000 149 " " K L 2 "LYS " " HZ3" 1 0 2 1 40.94 2297 149 + 2298 25 -20.958000 -21.503000 -20.338000 150 " " V L 2 "VAL " " N " 7 0 2 1 20.51 2298 150 + 2299 3 -20.573000 -22.735000 -21.041000 150 " " V L 2 "VAL " " CA " 6 0 2 1 20.23 2299 150 + 2300 2 -20.993000 -22.559000 -22.499000 150 " " V L 2 "VAL " " C " 6 0 2 1 20.92 2300 150 + 2301 15 -22.186000 -22.408000 -22.795000 150 " " V L 2 "VAL " " O " 8 0 2 1 20.35 2301 150 + 2302 3 -21.237000 -23.999000 -20.413000 150 " " V L 2 "VAL " " CB " 6 0 2 1 20.64 2302 150 + 2303 3 -20.876000 -25.249000 -21.201000 150 " " V L 2 "VAL " " CG1" 6 0 2 1 19.46 2303 150 + 2304 3 -20.827000 -24.168000 -18.953000 150 " " V L 2 "VAL " " CG2" 6 0 2 1 21.61 2304 150 + 2305 43 -21.915000 -21.193000 -20.432000 150 " " V L 2 "VAL " " H " 1 0 2 1 20.51 2305 150 + 2306 41 -19.489000 -22.845000 -20.995000 150 " " V L 2 "VAL " " HA " 1 0 2 1 20.23 2306 150 + 2307 41 -22.319000 -23.871000 -20.451000 150 " " V L 2 "VAL " " HB " 1 0 2 1 20.64 2307 150 + 2308 41 -21.351000 -26.117000 -20.744000 150 " " V L 2 "VAL " "HG11" 1 0 2 1 19.46 2308 150 + 2309 41 -21.224000 -25.144000 -22.229000 150 " " V L 2 "VAL " "HG12" 1 0 2 1 19.46 2309 150 + 2310 41 -19.794000 -25.382000 -21.196000 150 " " V L 2 "VAL " "HG13" 1 0 2 1 19.46 2310 150 + 2311 41 -21.305000 -25.057000 -18.541000 150 " " V L 2 "VAL " "HG21" 1 0 2 1 21.61 2311 150 + 2312 41 -19.744000 -24.276000 -18.889000 150 " " V L 2 "VAL " "HG22" 1 0 2 1 21.61 2312 150 + 2313 41 -21.139000 -23.292000 -18.384000 150 " " V L 2 "VAL " "HG23" 1 0 2 1 21.61 2313 150 + 2314 25 -20.010000 -22.561000 -23.402000 151 " " D L 2 "ASP " " N " 7 0 0 1 17.04 2314 151 + 2315 3 -20.220000 -22.166000 -24.803000 151 " " D L 2 "ASP " " CA " 6 0 0 1 15.13 2315 151 + 2316 2 -21.007000 -20.853000 -24.897000 151 " " D L 2 "ASP " " C " 6 0 0 1 17.57 2316 151 + 2317 15 -21.944000 -20.718000 -25.701000 151 " " D L 2 "ASP " " O " 8 0 0 1 18.74 2317 151 + 2318 3 -20.882000 -23.294000 -25.610000 151 " " D L 2 "ASP " " CB " 6 0 0 1 20.42 2318 151 + 2319 2 -19.944000 -24.473000 -25.850000 151 " " D L 2 "ASP " " CG " 6 0 0 1 21.84 2319 151 + 2320 15 -18.712000 -24.258000 -25.912000 151 " " D L 2 "ASP " " OD1" 8 0 0 1 23.79 2320 151 + 2321 18 -20.443000 -25.609000 -25.994000 151 " " D L 2 "ASP " " OD2" 8 -1 0 1 25.25 2321 151 + 2322 43 -19.078000 -22.841000 -23.133000 151 " " D L 2 "ASP " " H " 1 0 0 1 17.04 2322 151 + 2323 41 -19.238000 -21.987000 -25.240000 151 " " D L 2 "ASP " " HA " 1 0 0 1 15.13 2323 151 + 2324 41 -21.223000 -22.902000 -26.568000 151 " " D L 2 "ASP " " HB3" 1 0 0 1 20.42 2324 151 + 2325 41 -21.772000 -23.640000 -25.085000 151 " " D L 2 "ASP " " HB2" 1 0 0 1 20.42 2325 151 + 2326 25 -20.603000 -19.907000 -24.045000 152 " " N L 2 "ASN " " N " 7 0 0 1 20.34 2326 152 + 2327 3 -21.161000 -18.556000 -23.935000 152 " " N L 2 "ASN " " CA " 6 0 0 1 22.32 2327 152 + 2328 2 -22.569000 -18.460000 -23.328000 152 " " N L 2 "ASN " " C " 6 0 0 1 22.43 2328 152 + 2329 15 -23.115000 -17.363000 -23.210000 152 " " N L 2 "ASN " " O " 8 0 0 1 25.07 2329 152 + 2330 3 -21.054000 -17.785000 -25.264000 152 " " N L 2 "ASN " " CB " 6 0 0 1 23.67 2330 152 + 2331 2 -21.165000 -16.283000 -25.078000 152 " " N L 2 "ASN " " CG " 6 0 0 1 24.52 2331 152 + 2332 15 -20.489000 -15.693000 -24.230000 152 " " N L 2 "ASN " " OD1" 8 0 0 1 31.29 2332 152 + 2333 25 -22.024000 -15.658000 -25.861000 152 " " N L 2 "ASN " " ND2" 7 0 0 1 24.19 2333 152 + 2334 43 -19.848000 -20.096000 -23.401000 152 " " N L 2 "ASN " " H " 1 0 0 1 20.34 2334 152 + 2335 41 -20.508000 -18.028000 -23.240000 152 " " N L 2 "ASN " " HA " 1 0 0 1 22.32 2335 152 + 2336 41 -21.835000 -18.125000 -25.944000 152 " " N L 2 "ASN " " HB3" 1 0 0 1 23.67 2336 152 + 2337 41 -20.105000 -18.021000 -25.745000 152 " " N L 2 "ASN " " HB2" 1 0 0 1 23.67 2337 152 + 2338 43 -22.142000 -14.658000 -25.784000 152 " " N L 2 "ASN " "HD22" 1 0 0 1 24.19 2338 152 + 2339 43 -22.563000 -16.180000 -26.537000 152 " " N L 2 "ASN " "HD21" 1 0 0 1 24.19 2339 152 + 2340 25 -23.137000 -19.593000 -22.921000 153 " " A L 2 "ALA " " N " 7 0 2 1 20.4 2340 153 + 2341 3 -24.480000 -19.598000 -22.334000 153 " " A L 2 "ALA " " CA " 6 0 2 1 20.4 2341 153 + 2342 2 -24.402000 -19.428000 -20.833000 153 " " A L 2 "ALA " " C " 6 0 2 1 20.53 2342 153 + 2343 15 -23.649000 -20.128000 -20.150000 153 " " A L 2 "ALA " " O " 8 0 2 1 16.7 2343 153 + 2344 3 -25.247000 -20.862000 -22.705000 153 " " A L 2 "ALA " " CB " 6 0 2 1 19.92 2344 153 + 2345 43 -22.642000 -20.468000 -23.014000 153 " " A L 2 "ALA " " H " 1 0 2 1 20.4 2345 153 + 2346 41 -25.025000 -18.745000 -22.739000 153 " " A L 2 "ALA " " HA " 1 0 2 1 20.4 2346 153 + 2347 41 -26.238000 -20.832000 -22.253000 153 " " A L 2 "ALA " " HB1" 1 0 2 1 19.92 2347 153 + 2348 41 -25.344000 -20.924000 -23.789000 153 " " A L 2 "ALA " " HB2" 1 0 2 1 19.92 2348 153 + 2349 41 -24.708000 -21.736000 -22.339000 153 " " A L 2 "ALA " " HB3" 1 0 2 1 19.92 2349 153 + 2350 25 -25.164000 -18.473000 -20.311000 154 " " L L 2 "LEU " " N " 7 0 2 1 19.62 2350 154 + 2351 3 -25.116000 -18.205000 -18.881000 154 " " L L 2 "LEU " " CA " 6 0 2 1 28.15 2351 154 + 2352 2 -25.753000 -19.369000 -18.137000 154 " " L L 2 "LEU " " C " 6 0 2 1 24.4 2352 154 + 2353 15 -26.844000 -19.820000 -18.485000 154 " " L L 2 "LEU " " O " 8 0 2 1 20.19 2353 154 + 2354 3 -25.810000 -16.875000 -18.547000 154 " " L L 2 "LEU " " CB " 6 0 2 1 32.78 2354 154 + 2355 3 -24.977000 -15.579000 -18.618000 154 " " L L 2 "LEU " " CG " 6 0 2 1 39.53 2355 154 + 2356 3 -24.484000 -15.242000 -20.037000 154 " " L L 2 "LEU " " CD1" 6 0 2 1 42.8 2356 154 + 2357 3 -25.759000 -14.399000 -18.036000 154 " " L L 2 "LEU " " CD2" 6 0 2 1 38.46 2357 154 + 2358 43 -25.776000 -17.933000 -20.906000 154 " " L L 2 "LEU " " H " 1 0 2 1 19.62 2358 154 + 2359 41 -24.071000 -18.134000 -18.579000 154 " " L L 2 "LEU " " HA " 1 0 2 1 28.15 2359 154 + 2360 41 -26.270000 -16.950000 -17.562000 154 " " L L 2 "LEU " " HB3" 1 0 2 1 32.78 2360 154 + 2361 41 -26.694000 -16.766000 -19.176000 154 " " L L 2 "LEU " " HB2" 1 0 2 1 32.78 2361 154 + 2362 41 -24.096000 -15.724000 -17.994000 154 " " L L 2 "LEU " " HG " 1 0 2 1 39.53 2362 154 + 2363 41 -23.905000 -14.319000 -20.011000 154 " " L L 2 "LEU " "HD11" 1 0 2 1 42.8 2363 154 + 2364 41 -23.857000 -16.053000 -20.406000 154 " " L L 2 "LEU " "HD12" 1 0 2 1 42.8 2364 154 + 2365 41 -25.340000 -15.115000 -20.699000 154 " " L L 2 "LEU " "HD13" 1 0 2 1 42.8 2365 154 + 2366 41 -25.152000 -13.495000 -18.096000 154 " " L L 2 "LEU " "HD21" 1 0 2 1 38.46 2366 154 + 2367 41 -26.679000 -14.257000 -18.603000 154 " " L L 2 "LEU " "HD22" 1 0 2 1 38.46 2367 154 + 2368 41 -26.003000 -14.603000 -16.994000 154 " " L L 2 "LEU " "HD23" 1 0 2 1 38.46 2368 154 + 2369 25 -25.049000 -19.862000 -17.128000 155 " " Q L 2 "GLN " " N " 7 0 0 1 23.04 2369 155 + 2370 3 -25.503000 -20.983000 -16.321000 155 " " Q L 2 "GLN " " CA " 6 0 0 1 24.83 2370 155 + 2371 2 -26.330000 -20.498000 -15.133000 155 " " Q L 2 "GLN " " C " 6 0 0 1 28.61 2371 155 + 2372 15 -26.029000 -19.462000 -14.534000 155 " " Q L 2 "GLN " " O " 8 0 0 1 25 2372 155 + 2373 3 -24.293000 -21.782000 -15.818000 155 " " Q L 2 "GLN " " CB " 6 0 0 1 24.61 2373 155 + 2374 3 -23.411000 -22.334000 -16.936000 155 " " Q L 2 "GLN " " CG " 6 0 0 1 23.5 2374 155 + 2375 2 -24.191000 -23.224000 -17.889000 155 " " Q L 2 "GLN " " CD " 6 0 0 1 23.66 2375 155 + 2376 15 -24.613000 -24.386000 -17.397000 155 " " Q L 2 "GLN " " OE1" 8 0 0 1 25.24 2376 155 + 2377 25 -24.441000 -22.859000 -19.045000 155 " " Q L 2 "GLN " " NE2" 7 0 0 1 18.74 2377 155 + 2378 43 -24.155000 -19.457000 -16.891000 155 " " Q L 2 "GLN " " H " 1 0 0 1 23.04 2378 155 + 2379 41 -26.122000 -21.633000 -16.939000 155 " " Q L 2 "GLN " " HA " 1 0 0 1 24.83 2379 155 + 2380 41 -24.638000 -22.604000 -15.190000 155 " " Q L 2 "GLN " " HB3" 1 0 0 1 24.61 2380 155 + 2381 41 -23.692000 -21.153000 -15.161000 155 " " Q L 2 "GLN " " HB2" 1 0 0 1 24.61 2381 155 + 2382 41 -22.588000 -22.901000 -16.502000 155 " " Q L 2 "GLN " " HG3" 1 0 0 1 23.5 2382 155 + 2383 41 -22.970000 -21.507000 -17.492000 155 " " Q L 2 "GLN " " HG2" 1 0 0 1 23.5 2383 155 + 2384 43 -24.961000 -23.464000 -19.664000 155 " " Q L 2 "GLN " "HE22" 1 0 0 1 18.74 2384 155 + 2385 43 -24.125000 -21.956000 -19.369000 155 " " Q L 2 "GLN " "HE21" 1 0 0 1 18.74 2385 155 + 2386 25 -27.379000 -21.247000 -14.808000 156 " " S L 2 "SER " " N " 7 0 0 1 27.65 2386 156 + 2387 3 -28.105000 -21.049000 -13.554000 156 " " S L 2 "SER " " CA " 6 0 0 1 29.46 2387 156 + 2388 2 -28.453000 -22.412000 -12.953000 156 " " S L 2 "SER " " C " 6 0 0 1 28.25 2388 156 + 2389 15 -28.859000 -23.333000 -13.678000 156 " " S L 2 "SER " " O " 8 0 0 1 31.54 2389 156 + 2390 3 -29.370000 -20.209000 -13.786000 156 " " S L 2 "SER " " CB " 6 0 0 1 28.73 2390 156 + 2391 16 -30.294000 -20.895000 -14.617000 156 " " S L 2 "SER " " OG " 8 0 0 1 30.86 2391 156 + 2392 43 -27.693000 -21.975000 -15.434000 156 " " S L 2 "SER " " H " 1 0 0 1 27.65 2392 156 + 2393 41 -27.457000 -20.517000 -12.857000 156 " " S L 2 "SER " " HA " 1 0 0 1 29.46 2393 156 + 2394 41 -29.097000 -19.262000 -14.252000 156 " " S L 2 "SER " " HB3" 1 0 0 1 28.73 2394 156 + 2395 41 -29.839000 -19.987000 -12.827000 156 " " S L 2 "SER " " HB2" 1 0 0 1 28.73 2395 156 + 2396 42 -30.547000 -21.722000 -14.200000 156 " " S L 2 "SER " " HG " 1 0 0 1 30.86 2396 156 + 2397 25 -28.283000 -22.538000 -11.642000 157 " " G L 2 "GLY " " N " 7 0 0 1 25.54 2397 157 + 2398 3 -28.793000 -23.687000 -10.901000 157 " " G L 2 "GLY " " CA " 6 0 0 1 27.25 2398 157 + 2399 2 -27.871000 -24.883000 -10.741000 157 " " G L 2 "GLY " " C " 6 0 0 1 30.02 2399 157 + 2400 15 -28.274000 -25.903000 -10.179000 157 " " G L 2 "GLY " " O " 8 0 0 1 33.64 2400 157 + 2401 43 -27.787000 -21.825000 -11.126000 157 " " G L 2 "GLY " " H " 1 0 0 1 25.54 2401 157 + 2402 41 -29.730000 -24.015000 -11.350000 157 " " G L 2 "GLY " " HA3" 1 0 0 1 27.25 2402 157 + 2403 41 -29.127000 -23.358000 -9.917000 157 " " G L 2 "GLY " " HA2" 1 0 0 1 27.25 2403 157 + 2404 25 -26.643000 -24.762000 -11.230000 158 " " N L 2 "ASN " " N " 7 0 0 1 20.95 2404 158 + 2405 3 -25.678000 -25.869000 -11.201000 158 " " N L 2 "ASN " " CA " 6 0 0 1 21.34 2405 158 + 2406 2 -24.339000 -25.501000 -10.570000 158 " " N L 2 "ASN " " C " 6 0 0 1 21.83 2406 158 + 2407 15 -23.323000 -26.178000 -10.801000 158 " " N L 2 "ASN " " O " 8 0 0 1 21.6 2407 158 + 2408 3 -25.457000 -26.454000 -12.610000 158 " " N L 2 "ASN " " CB " 6 0 0 1 24.38 2408 158 + 2409 2 -25.262000 -25.381000 -13.684000 158 " " N L 2 "ASN " " CG " 6 0 0 1 26.09 2409 158 + 2410 15 -24.982000 -24.146000 -13.267000 158 " " N L 2 "ASN " " OD1" 8 0 0 1 32.43 2410 158 + 2411 25 -25.393000 -25.668000 -14.886000 158 " " N L 2 "ASN " " ND2" 7 0 0 1 21.43 2411 158 + 2412 43 -26.346000 -23.887000 -11.639000 158 " " N L 2 "ASN " " H " 1 0 0 1 20.95 2412 158 + 2413 41 -26.114000 -26.659000 -10.590000 158 " " N L 2 "ASN " " HA " 1 0 0 1 21.34 2413 158 + 2414 41 -26.305000 -27.084000 -12.878000 158 " " N L 2 "ASN " " HB3" 1 0 0 1 24.38 2414 158 + 2415 41 -24.590000 -27.114000 -12.596000 158 " " N L 2 "ASN " " HB2" 1 0 0 1 24.38 2415 158 + 2416 43 -25.264000 -24.957000 -15.592000 158 " " N L 2 "ASN " "HD22" 1 0 0 1 21.43 2416 158 + 2417 43 -25.629000 -26.612000 -15.157000 158 " " N L 2 "ASN " "HD21" 1 0 0 1 21.43 2417 158 + 2418 25 -24.349000 -24.450000 -9.749000 159 " " S L 2 "SER " " N " 7 0 2 1 20.37 2418 159 + 2419 3 -23.154000 -24.011000 -9.043000 159 " " S L 2 "SER " " CA " 6 0 2 1 18.67 2419 159 + 2420 2 -23.420000 -23.722000 -7.568000 159 " " S L 2 "SER " " C " 6 0 2 1 22.7 2420 159 + 2421 15 -24.568000 -23.450000 -7.166000 159 " " S L 2 "SER " " O " 8 0 2 1 21.09 2421 159 + 2422 3 -22.510000 -22.787000 -9.720000 159 " " S L 2 "SER " " CB " 6 0 2 1 22.2 2422 159 + 2423 16 -23.357000 -21.639000 -9.728000 159 " " S L 2 "SER " " OG " 8 0 2 1 23.38 2423 159 + 2424 43 -25.204000 -23.932000 -9.602000 159 " " S L 2 "SER " " H " 1 0 2 1 20.37 2424 159 + 2425 41 -22.431000 -24.826000 -9.089000 159 " " S L 2 "SER " " HA " 1 0 2 1 18.67 2425 159 + 2426 41 -22.236000 -23.042000 -10.744000 159 " " S L 2 "SER " " HB3" 1 0 2 1 22.2 2426 159 + 2427 41 -21.575000 -22.544000 -9.214000 159 " " S L 2 "SER " " HB2" 1 0 2 1 22.2 2427 159 + 2428 42 -23.570000 -21.392000 -8.825000 159 " " S L 2 "SER " " HG " 1 0 2 1 23.38 2428 159 + 2429 25 -22.359000 -23.829000 -6.770000 160 " " Q L 2 "GLN " " N " 7 0 2 1 19.7 2429 160 + 2430 3 -22.385000 -23.414000 -5.369000 160 " " Q L 2 "GLN " " CA " 6 0 2 1 21.25 2430 160 + 2431 2 -21.135000 -22.632000 -5.043000 160 " " Q L 2 "GLN " " C " 6 0 2 1 20.33 2431 160 + 2432 15 -20.060000 -22.903000 -5.582000 160 " " Q L 2 "GLN " " O " 8 0 2 1 20.69 2432 160 + 2433 3 -22.463000 -24.609000 -4.423000 160 " " Q L 2 "GLN " " CB " 6 0 2 1 21.61 2433 160 + 2434 3 -23.656000 -25.491000 -4.657000 160 " " Q L 2 "GLN " " CG " 6 0 2 1 23.45 2434 160 + 2435 2 -23.851000 -26.482000 -3.551000 160 " " Q L 2 "GLN " " CD " 6 0 2 1 28.47 2435 160 + 2436 15 -23.473000 -27.648000 -3.683000 160 " " Q L 2 "GLN " " OE1" 8 0 2 1 34.89 2436 160 + 2437 25 -24.460000 -26.039000 -2.451000 160 " " Q L 2 "GLN " " NE2" 7 0 2 1 28.31 2437 160 + 2438 43 -21.494000 -24.209000 -7.128000 160 " " Q L 2 "GLN " " H " 1 0 2 1 19.7 2438 160 + 2439 41 -23.254000 -22.776000 -5.205000 160 " " Q L 2 "GLN " " HA " 1 0 2 1 21.25 2439 160 + 2440 41 -22.472000 -24.254000 -3.392000 160 " " Q L 2 "GLN " " HB3" 1 0 2 1 21.61 2440 160 + 2441 41 -21.552000 -25.201000 -4.513000 160 " " Q L 2 "GLN " " HB2" 1 0 2 1 21.61 2441 160 + 2442 41 -23.535000 -26.021000 -5.602000 160 " " Q L 2 "GLN " " HG3" 1 0 2 1 23.45 2442 160 + 2443 41 -24.550000 -24.874000 -4.753000 160 " " Q L 2 "GLN " " HG2" 1 0 2 1 23.45 2443 160 + 2444 43 -24.617000 -26.665000 -1.674000 160 " " Q L 2 "GLN " "HE22" 1 0 2 1 28.31 2444 160 + 2445 43 -24.764000 -25.077000 -2.395000 160 " " Q L 2 "GLN " "HE21" 1 0 2 1 28.31 2445 160 + 2446 25 -21.272000 -21.704000 -4.112000 161 " " E L 2 "GLU " " N " 7 0 2 1 17.92 2446 161 + 2447 3 -20.208000 -20.744000 -3.803000 161 " " E L 2 "GLU " " CA " 6 0 2 1 20.89 2447 161 + 2448 2 -19.951000 -20.764000 -2.302000 161 " " E L 2 "GLU " " C " 6 0 2 1 22.91 2448 161 + 2449 15 -20.872000 -21.019000 -1.522000 161 " " E L 2 "GLU " " O " 8 0 2 1 21.52 2449 161 + 2450 3 -20.774000 -19.379000 -4.158000 161 " " E L 2 "GLU " " CB " 6 0 2 1 27.07 2450 161 + 2451 3 -19.820000 -18.360000 -4.539000 161 " " E L 2 "GLU " " CG " 6 0 2 1 35.78 2451 161 + 2452 2 -20.541000 -17.126000 -5.012000 161 " " E L 2 "GLU " " CD " 6 0 2 1 31.62 2452 161 + 2453 15 -21.016000 -16.334000 -4.164000 161 " " E L 2 "GLU " " OE1" 8 0 2 1 34.15 2453 161 + 2454 18 -20.631000 -16.965000 -6.233000 161 " " E L 2 "GLU " " OE2" 8 -1 2 1 28.27 2454 161 + 2455 43 -22.132000 -21.639000 -3.586000 161 " " E L 2 "GLU " " H " 1 0 2 1 17.92 2455 161 + 2456 41 -19.300000 -20.959000 -4.367000 161 " " E L 2 "GLU " " HA " 1 0 2 1 20.89 2456 161 + 2457 41 -21.377000 -19.013000 -3.327000 161 " " E L 2 "GLU " " HB3" 1 0 2 1 27.07 2457 161 + 2458 41 -21.514000 -19.492000 -4.951000 161 " " E L 2 "GLU " " HB2" 1 0 2 1 27.07 2458 161 + 2459 41 -19.185000 -18.739000 -5.340000 161 " " E L 2 "GLU " " HG3" 1 0 2 1 35.78 2459 161 + 2460 41 -19.195000 -18.109000 -3.682000 161 " " E L 2 "GLU " " HG2" 1 0 2 1 35.78 2460 161 + 2461 25 -18.726000 -20.445000 -1.897000 162 " " S L 2 "SER " " N " 7 0 2 1 20.17 2461 162 + 2462 3 -18.418000 -20.268000 -0.497000 162 " " S L 2 "SER " " CA " 6 0 2 1 23 2462 162 + 2463 2 -17.356000 -19.169000 -0.331000 162 " " S L 2 "SER " " C " 6 0 2 1 20.46 2463 162 + 2464 15 -16.406000 -19.100000 -1.122000 162 " " S L 2 "SER " " O " 8 0 2 1 20.61 2464 162 + 2465 3 -17.918000 -21.620000 0.017000 162 " " S L 2 "SER " " CB " 6 0 2 1 29.17 2465 162 + 2466 16 -17.249000 -21.527000 1.215000 162 " " S L 2 "SER " " OG " 8 0 2 1 27.43 2466 162 + 2467 43 -17.987000 -20.321000 -2.574000 162 " " S L 2 "SER " " H " 1 0 2 1 20.17 2467 162 + 2468 41 -19.322000 -19.985000 0.042000 162 " " S L 2 "SER " " HA " 1 0 2 1 23 2468 162 + 2469 41 -17.264000 -22.071000 -0.729000 162 " " S L 2 "SER " " HB3" 1 0 2 1 29.17 2469 162 + 2470 41 -18.762000 -22.301000 0.126000 162 " " S L 2 "SER " " HB2" 1 0 2 1 29.17 2470 162 + 2471 42 -17.176000 -22.399000 1.610000 162 " " S L 2 "SER " " HG " 1 0 2 1 27.43 2471 162 + 2472 25 -17.528000 -18.314000 0.679000 163 " " V L 2 "VAL " " N " 7 0 2 1 20.35 2472 163 + 2473 3 -16.557000 -17.252000 0.997000 163 " " V L 2 "VAL " " CA " 6 0 2 1 20.28 2473 163 + 2474 2 -15.820000 -17.567000 2.306000 163 " " V L 2 "VAL " " C " 6 0 2 1 23.52 2474 163 + 2475 15 -16.402000 -18.108000 3.232000 163 " " V L 2 "VAL " " O " 8 0 2 1 20.38 2475 163 + 2476 3 -17.194000 -15.817000 1.039000 163 " " V L 2 "VAL " " CB " 6 0 2 1 22.95 2476 163 + 2477 3 -18.176000 -15.662000 2.213000 163 " " V L 2 "VAL " " CG1" 6 0 2 1 23.63 2477 163 + 2478 3 -16.093000 -14.729000 1.082000 163 " " V L 2 "VAL " " CG2" 6 0 2 1 20.85 2478 163 + 2479 43 -18.350000 -18.380000 1.262000 163 " " V L 2 "VAL " " H " 1 0 2 1 20.35 2479 163 + 2480 41 -15.812000 -17.249000 0.201000 163 " " V L 2 "VAL " " HA " 1 0 2 1 20.28 2480 163 + 2481 41 -17.758000 -15.679000 0.117000 163 " " V L 2 "VAL " " HB " 1 0 2 1 22.95 2481 163 + 2482 41 -18.595000 -14.656000 2.207000 163 " " V L 2 "VAL " "HG11" 1 0 2 1 23.63 2482 163 + 2483 41 -18.981000 -16.390000 2.113000 163 " " V L 2 "VAL " "HG12" 1 0 2 1 23.63 2483 163 + 2484 41 -17.649000 -15.830000 3.152000 163 " " V L 2 "VAL " "HG13" 1 0 2 1 23.63 2484 163 + 2485 41 -16.557000 -13.743000 1.111000 163 " " V L 2 "VAL " "HG21" 1 0 2 1 20.85 2485 163 + 2486 41 -15.479000 -14.867000 1.972000 163 " " V L 2 "VAL " "HG22" 1 0 2 1 20.85 2486 163 + 2487 41 -15.467000 -14.810000 0.193000 163 " " V L 2 "VAL " "HG23" 1 0 2 1 20.85 2487 163 + 2488 25 -14.535000 -17.239000 2.374000 164 " " T L 2 "THR " " N " 7 0 0 1 23.39 2488 164 + 2489 3 -13.765000 -17.488000 3.598000 164 " " T L 2 "THR " " CA " 6 0 0 1 21.8 2489 164 + 2490 2 -14.118000 -16.443000 4.658000 164 " " T L 2 "THR " " C " 6 0 0 1 22.1 2490 164 + 2491 15 -14.697000 -15.397000 4.361000 164 " " T L 2 "THR " " O " 8 0 0 1 22.81 2491 164 + 2492 3 -12.245000 -17.374000 3.368000 164 " " T L 2 "THR " " CB " 6 0 0 1 23.06 2492 164 + 2493 16 -11.947000 -16.054000 2.926000 164 " " T L 2 "THR " " OG1" 8 0 0 1 20.17 2493 164 + 2494 3 -11.747000 -18.359000 2.317000 164 " " T L 2 "THR " " CG2" 6 0 0 1 19.37 2494 164 + 2495 43 -14.079000 -16.814000 1.579000 164 " " T L 2 "THR " " H " 1 0 0 1 23.39 2495 164 + 2496 41 -14.000000 -18.482000 3.978000 164 " " T L 2 "THR " " HA " 1 0 0 1 21.8 2496 164 + 2497 41 -11.726000 -17.562000 4.308000 164 " " T L 2 "THR " " HB " 1 0 0 1 23.06 2497 164 + 2498 42 -11.851000 -15.476000 3.686000 164 " " T L 2 "THR " " HG1" 1 0 0 1 20.17 2498 164 + 2499 41 -10.671000 -18.242000 2.189000 164 " " T L 2 "THR " "HG21" 1 0 0 1 19.37 2499 164 + 2500 41 -11.965000 -19.377000 2.640000 164 " " T L 2 "THR " "HG22" 1 0 0 1 19.37 2500 164 + 2501 41 -12.248000 -18.164000 1.369000 164 " " T L 2 "THR " "HG23" 1 0 0 1 19.37 2501 164 + 2502 25 -13.737000 -16.731000 5.894000 165 " " E L 2 "GLU " " N " 7 0 0 1 20.46 2502 165 + 2503 3 -13.644000 -15.718000 6.913000 165 " " E L 2 "GLU " " CA " 6 0 0 1 23.81 2503 165 + 2504 2 -12.612000 -14.696000 6.445000 165 " " E L 2 "GLU " " C " 6 0 0 1 22.43 2504 165 + 2505 15 -11.806000 -14.959000 5.529000 165 " " E L 2 "GLU " " O " 8 0 0 1 21.78 2505 165 + 2506 3 -13.222000 -16.324000 8.264000 165 " " E L 2 "GLU " " CB " 6 0 0 1 23.22 2506 165 + 2507 3 -11.781000 -16.868000 8.316000 165 " " E L 2 "GLU " " CG " 6 0 0 1 31.42 2507 165 + 2508 2 -11.611000 -18.310000 7.798000 165 " " E L 2 "GLU " " CD " 6 0 0 1 41.29 2508 165 + 2509 15 -12.466000 -18.836000 7.018000 165 " " E L 2 "GLU " " OE1" 8 0 0 1 34.54 2509 165 + 2510 18 -10.584000 -18.917000 8.194000 165 " " E L 2 "GLU " " OE2" 8 -1 0 1 44.09 2510 165 + 2511 43 -13.503000 -17.682000 6.142000 165 " " E L 2 "GLU " " H " 1 0 0 1 20.46 2511 165 + 2512 41 -14.612000 -15.228000 7.024000 165 " " E L 2 "GLU " " HA " 1 0 0 1 23.81 2512 165 + 2513 41 -13.917000 -17.118000 8.536000 165 " " E L 2 "GLU " " HB3" 1 0 0 1 23.22 2513 165 + 2514 41 -13.355000 -15.581000 9.050000 165 " " E L 2 "GLU " " HB2" 1 0 0 1 23.22 2514 165 + 2515 41 -11.409000 -16.806000 9.339000 165 " " E L 2 "GLU " " HG3" 1 0 0 1 31.42 2515 165 + 2516 41 -11.124000 -16.203000 7.755000 165 " " E L 2 "GLU " " HG2" 1 0 0 1 31.42 2516 165 + 2517 25 -12.624000 -13.533000 7.076000 166 " " Q L 2 "GLN " " N " 7 0 0 1 23.74 2517 166 + 2518 3 -11.639000 -12.502000 6.752000 166 " " Q L 2 "GLN " " CA " 6 0 0 1 22.4 2518 166 + 2519 2 -10.228000 -12.937000 7.160000 166 " " Q L 2 "GLN " " C " 6 0 0 1 22.58 2519 166 + 2520 15 -10.037000 -13.588000 8.200000 166 " " Q L 2 "GLN " " O " 8 0 0 1 21.39 2520 166 + 2521 3 -12.040000 -11.199000 7.435000 166 " " Q L 2 "GLN " " CB " 6 0 0 1 23.12 2521 166 + 2522 3 -11.217000 -10.001000 7.038000 166 " " Q L 2 "GLN " " CG " 6 0 0 1 23.97 2522 166 + 2523 2 -11.857000 -8.698000 7.480000 166 " " Q L 2 "GLN " " CD " 6 0 0 1 24.2 2523 166 + 2524 15 -12.501000 -8.627000 8.536000 166 " " Q L 2 "GLN " " OE1" 8 0 0 1 24.02 2524 166 + 2525 25 -11.681000 -7.660000 6.681000 166 " " Q L 2 "GLN " " NE2" 7 0 0 1 20.16 2525 166 + 2526 43 -13.317000 -13.352000 7.788000 166 " " Q L 2 "GLN " " H " 1 0 0 1 23.74 2526 166 + 2527 41 -11.651000 -12.342000 5.674000 166 " " Q L 2 "GLN " " HA " 1 0 0 1 22.4 2527 166 + 2528 41 -11.991000 -11.328000 8.516000 166 " " Q L 2 "GLN " " HB3" 1 0 0 1 23.12 2528 166 + 2529 41 -13.092000 -10.996000 7.236000 166 " " Q L 2 "GLN " " HB2" 1 0 0 1 23.12 2529 166 + 2530 41 -11.088000 -9.993000 5.956000 166 " " Q L 2 "GLN " " HG3" 1 0 0 1 23.97 2530 166 + 2531 41 -10.222000 -10.083000 7.476000 166 " " Q L 2 "GLN " " HG2" 1 0 0 1 23.97 2531 166 + 2532 43 -12.082000 -6.765000 6.920000 166 " " Q L 2 "GLN " "HE22" 1 0 0 1 20.16 2532 166 + 2533 43 -11.145000 -7.762000 5.831000 166 " " Q L 2 "GLN " "HE21" 1 0 0 1 20.16 2533 166 + 2534 25 -9.236000 -12.544000 6.360000 167 " " D L 2 "ASP " " N " 7 0 0 1 21.95 2534 167 + 2535 3 -7.850000 -12.884000 6.633000 167 " " D L 2 "ASP " " CA " 6 0 0 1 21.93 2535 167 + 2536 2 -7.308000 -12.024000 7.778000 167 " " D L 2 "ASP " " C " 6 0 0 1 24.68 2536 167 + 2537 15 -7.524000 -10.814000 7.790000 167 " " D L 2 "ASP " " O " 8 0 0 1 23.44 2537 167 + 2538 3 -7.007000 -12.695000 5.374000 167 " " D L 2 "ASP " " CB " 6 0 0 1 22.15 2538 167 + 2539 2 -5.620000 -13.304000 5.502000 167 " " D L 2 "ASP " " CG " 6 0 0 1 27.42 2539 167 + 2540 15 -5.465000 -14.497000 5.172000 167 " " D L 2 "ASP " " OD1" 8 0 0 1 27.94 2540 167 + 2541 18 -4.687000 -12.583000 5.898000 167 " " D L 2 "ASP " " OD2" 8 -1 0 1 27.64 2541 167 + 2542 43 -9.438000 -11.994000 5.537000 167 " " D L 2 "ASP " " H " 1 0 0 1 21.95 2542 167 + 2543 41 -7.801000 -13.931000 6.931000 167 " " D L 2 "ASP " " HA " 1 0 0 1 21.93 2543 167 + 2544 41 -6.917000 -11.631000 5.155000 167 " " D L 2 "ASP " " HB3" 1 0 0 1 22.15 2544 167 + 2545 41 -7.522000 -13.141000 4.523000 167 " " D L 2 "ASP " " HB2" 1 0 0 1 22.15 2545 167 + 2546 25 -6.613000 -12.652000 8.738000 168 " " S L 2 "SER " " N " 7 0 0 1 21.2 2546 168 + 2547 3 -6.080000 -11.937000 9.911000 168 " " S L 2 "SER " " CA " 6 0 0 1 18.67 2547 168 + 2548 2 -4.843000 -11.098000 9.603000 168 " " S L 2 "SER " " C " 6 0 0 1 25.11 2548 168 + 2549 15 -4.422000 -10.293000 10.432000 168 " " S L 2 "SER " " O " 8 0 0 1 24.33 2549 168 + 2550 3 -5.771000 -12.920000 11.064000 168 " " S L 2 "SER " " CB " 6 0 0 1 26.53 2550 168 + 2551 16 -6.940000 -13.561000 11.554000 168 " " S L 2 "SER " " OG " 8 0 0 1 31.32 2551 168 + 2552 43 -6.441000 -13.645000 8.670000 168 " " S L 2 "SER " " H " 1 0 0 1 21.2 2552 168 + 2553 41 -6.857000 -11.257000 10.260000 168 " " S L 2 "SER " " HA " 1 0 0 1 18.67 2553 168 + 2554 41 -5.284000 -12.383000 11.878000 168 " " S L 2 "SER " " HB3" 1 0 0 1 26.53 2554 168 + 2555 41 -5.063000 -13.673000 10.718000 168 " " S L 2 "SER " " HB2" 1 0 0 1 26.53 2555 168 + 2556 42 -6.703000 -14.160000 12.266000 168 " " S L 2 "SER " " HG " 1 0 0 1 31.32 2556 168 + 2557 25 -4.241000 -11.280000 8.425000 169 " " K L 2 "LYS " " N " 7 0 0 1 25.18 2557 169 + 2558 3 -3.045000 -10.511000 8.080000 169 " " K L 2 "LYS " " CA " 6 0 0 1 24.41 2558 169 + 2559 2 -3.298000 -9.376000 7.079000 169 " " K L 2 "LYS " " C " 6 0 0 1 23.32 2559 169 + 2560 15 -2.752000 -8.288000 7.244000 169 " " K L 2 "LYS " " O " 8 0 0 1 24.45 2560 169 + 2561 3 -1.927000 -11.419000 7.555000 169 " " K L 2 "LYS " " CB " 6 0 0 1 28.54 2561 169 + 2562 3 -1.406000 -12.438000 8.548000 169 " " K L 2 "LYS " " CG " 6 0 0 1 33.02 2562 169 + 2563 3 -0.498000 -13.428000 7.816000 169 " " K L 2 "LYS " " CD " 6 0 0 1 42.26 2563 169 + 2564 3 -0.122000 -14.612000 8.682000 169 " " K L 2 "LYS " " CE " 6 0 0 1 46.91 2564 169 + 2565 32 1.061000 -14.301000 9.511000 169 " " K L 2 "LYS " " NZ " 7 1 0 1 47.85 2565 169 + 2566 43 -4.611000 -11.951000 7.767000 169 " " K L 2 "LYS " " H " 1 0 0 1 25.18 2566 169 + 2567 41 -2.681000 -10.053000 9.000000 169 " " K L 2 "LYS " " HA " 1 0 0 1 24.41 2567 169 + 2568 41 -1.099000 -10.804000 7.202000 169 " " K L 2 "LYS " " HB3" 1 0 0 1 28.54 2568 169 + 2569 41 -2.272000 -11.933000 6.658000 169 " " K L 2 "LYS " " HB2" 1 0 0 1 28.54 2569 169 + 2570 41 -2.245000 -12.974000 8.992000 169 " " K L 2 "LYS " " HG3" 1 0 0 1 33.02 2570 169 + 2571 41 -0.836000 -11.929000 9.325000 169 " " K L 2 "LYS " " HG2" 1 0 0 1 33.02 2571 169 + 2572 41 0.407000 -12.916000 7.489000 169 " " K L 2 "LYS " " HD3" 1 0 0 1 42.26 2572 169 + 2573 41 -1.000000 -13.782000 6.916000 169 " " K L 2 "LYS " " HD2" 1 0 0 1 42.26 2573 169 + 2574 41 0.095000 -15.471000 8.048000 169 " " K L 2 "LYS " " HE3" 1 0 0 1 46.91 2574 169 + 2575 41 -0.961000 -14.870000 9.329000 169 " " K L 2 "LYS " " HE2" 1 0 0 1 46.91 2575 169 + 2576 44 0.871000 -13.488000 10.079000 169 " " K L 2 "LYS " " HZ1" 1 0 0 1 47.85 2576 169 + 2577 44 1.269000 -15.087000 10.110000 169 " " K L 2 "LYS " " HZ2" 1 0 0 1 47.85 2577 169 + 2578 44 1.853000 -14.115000 8.912000 169 " " K L 2 "LYS " " HZ3" 1 0 0 1 47.85 2578 169 + 2579 25 -4.092000 -9.625000 6.038000 170 " " D L 2 "ASP " " N " 7 0 0 1 22.79 2579 170 + 2580 3 -4.333000 -8.587000 5.020000 170 " " D L 2 "ASP " " CA " 6 0 0 1 24.14 2580 170 + 2581 2 -5.798000 -8.159000 4.917000 170 " " D L 2 "ASP " " C " 6 0 0 1 22.77 2581 170 + 2582 15 -6.145000 -7.343000 4.066000 170 " " D L 2 "ASP " " O " 8 0 0 1 18.12 2582 170 + 2583 3 -3.770000 -8.988000 3.643000 170 " " D L 2 "ASP " " CB " 6 0 0 1 26.4 2583 170 + 2584 2 -4.547000 -10.125000 2.985000 170 " " D L 2 "ASP " " CG " 6 0 0 1 27.94 2584 170 + 2585 15 -5.642000 -10.487000 3.465000 170 " " D L 2 "ASP " " OD1" 8 0 0 1 23.23 2585 170 + 2586 18 -4.055000 -10.670000 1.964000 170 " " D L 2 "ASP " " OD2" 8 -1 0 1 30.02 2586 170 + 2587 43 -4.532000 -10.529000 5.944000 170 " " D L 2 "ASP " " H " 1 0 0 1 22.79 2587 170 + 2588 41 -3.775000 -7.706000 5.338000 170 " " D L 2 "ASP " " HA " 1 0 0 1 24.14 2588 170 + 2589 41 -2.725000 -9.278000 3.750000 170 " " D L 2 "ASP " " HB3" 1 0 0 1 26.4 2589 170 + 2590 41 -3.772000 -8.120000 2.984000 170 " " D L 2 "ASP " " HB2" 1 0 0 1 26.4 2590 170 + 2591 25 -6.646000 -8.742000 5.768000 171 " " S L 2 "SER " " N " 7 0 0 1 18.83 2591 171 + 2592 3 -8.060000 -8.343000 5.890000 171 " " S L 2 "SER " " CA " 6 0 0 1 18.83 2592 171 + 2593 2 -8.872000 -8.552000 4.591000 171 " " S L 2 "SER " " C " 6 0 0 1 20.75 2593 171 + 2594 15 -9.918000 -7.913000 4.399000 171 " " S L 2 "SER " " O " 8 0 0 1 22.37 2594 171 + 2595 3 -8.208000 -6.885000 6.392000 171 " " S L 2 "SER " " CB " 6 0 0 1 22.16 2595 171 + 2596 16 -7.317000 -6.573000 7.471000 171 " " S L 2 "SER " " OG " 8 0 0 1 21.84 2596 171 + 2597 43 -6.327000 -9.492000 6.365000 171 " " S L 2 "SER " " H " 1 0 0 1 18.83 2597 171 + 2598 41 -8.506000 -8.986000 6.649000 171 " " S L 2 "SER " " HA " 1 0 0 1 18.83 2598 171 + 2599 41 -9.236000 -6.714000 6.711000 171 " " S L 2 "SER " " HB3" 1 0 0 1 22.16 2599 171 + 2600 41 -8.030000 -6.197000 5.565000 171 " " S L 2 "SER " " HB2" 1 0 0 1 22.16 2600 171 + 2601 42 -6.409000 -6.691000 7.182000 171 " " S L 2 "SER " " HG " 1 0 0 1 21.84 2601 171 + 2602 25 -8.409000 -9.458000 3.728000 172 " " T L 2 "THR " " N " 7 0 0 1 20.72 2602 172 + 2603 3 -9.164000 -9.804000 2.509000 172 " " T L 2 "THR " " CA " 6 0 0 1 19.83 2603 172 + 2604 2 -10.044000 -11.035000 2.691000 172 " " T L 2 "THR " " C " 6 0 0 1 21.66 2604 172 + 2605 15 -9.992000 -11.722000 3.722000 172 " " T L 2 "THR " " O " 8 0 0 1 20.81 2605 172 + 2606 3 -8.234000 -10.062000 1.316000 172 " " T L 2 "THR " " CB " 6 0 0 1 18.4 2606 172 + 2607 16 -7.407000 -11.208000 1.591000 172 " " T L 2 "THR " " OG1" 8 0 0 1 22.51 2607 172 + 2608 3 -7.350000 -8.799000 0.999000 172 " " T L 2 "THR " " CG2" 6 0 0 1 19.54 2608 172 + 2609 43 -7.528000 -9.919000 3.904000 172 " " T L 2 "THR " " H " 1 0 0 1 20.72 2609 172 + 2610 41 -9.809000 -8.961000 2.260000 172 " " T L 2 "THR " " HA " 1 0 0 1 19.83 2610 172 + 2611 41 -8.847000 -10.281000 0.442000 172 " " T L 2 "THR " " HB " 1 0 0 1 18.4 2611 172 + 2612 42 -6.759000 -10.982000 2.263000 172 " " T L 2 "THR " " HG1" 1 0 0 1 22.51 2612 172 + 2613 41 -6.702000 -9.013000 0.149000 172 " " T L 2 "THR " "HG21" 1 0 0 1 19.54 2613 172 + 2614 41 -7.995000 -7.954000 0.760000 172 " " T L 2 "THR " "HG22" 1 0 0 1 19.54 2614 172 + 2615 41 -6.740000 -8.555000 1.868000 172 " " T L 2 "THR " "HG23" 1 0 0 1 19.54 2615 172 + 2616 25 -10.825000 -11.322000 1.655000 173 " " Y L 2 "TYR " " N " 7 0 2 1 20.5 2616 173 + 2617 3 -11.627000 -12.540000 1.575000 173 " " Y L 2 "TYR " " CA " 6 0 2 1 20.46 2617 173 + 2618 2 -11.219000 -13.310000 0.329000 173 " " Y L 2 "TYR " " C " 6 0 2 1 21.9 2618 173 + 2619 15 -10.672000 -12.735000 -0.614000 173 " " Y L 2 "TYR " " O " 8 0 2 1 19.98 2619 173 + 2620 3 -13.110000 -12.174000 1.471000 173 " " Y L 2 "TYR " " CB " 6 0 2 1 23.62 2620 173 + 2621 2 -13.607000 -11.383000 2.654000 173 " " Y L 2 "TYR " " CG " 6 0 2 1 25.63 2621 173 + 2622 2 -13.481000 -9.992000 2.700000 173 " " Y L 2 "TYR " " CD1" 6 0 2 1 28.59 2622 173 + 2623 2 -14.169000 -12.034000 3.755000 173 " " Y L 2 "TYR " " CD2" 6 0 2 1 24.72 2623 173 + 2624 2 -13.922000 -9.262000 3.820000 173 " " Y L 2 "TYR " " CE1" 6 0 2 1 26.56 2624 173 + 2625 2 -14.613000 -11.325000 4.870000 173 " " Y L 2 "TYR " " CE2" 6 0 2 1 25.97 2625 173 + 2626 2 -14.490000 -9.943000 4.894000 173 " " Y L 2 "TYR " " CZ " 6 0 2 1 26.66 2626 173 + 2627 16 -14.927000 -9.245000 5.992000 173 " " Y L 2 "TYR " " OH " 8 0 2 1 25.97 2627 173 + 2628 43 -10.883000 -10.684000 0.874000 173 " " Y L 2 "TYR " " H " 1 0 2 1 20.5 2628 173 + 2629 41 -11.458000 -13.153000 2.460000 173 " " Y L 2 "TYR " " HA " 1 0 2 1 20.46 2629 173 + 2630 41 -13.701000 -13.084000 1.370000 173 " " Y L 2 "TYR " " HB3" 1 0 2 1 23.62 2630 173 + 2631 41 -13.279000 -11.604000 0.557000 173 " " Y L 2 "TYR " " HB2" 1 0 2 1 23.62 2631 173 + 2632 41 -13.040000 -9.462000 1.869000 173 " " Y L 2 "TYR " " HD1" 1 0 2 1 28.59 2632 173 + 2633 41 -14.267000 -13.110000 3.754000 173 " " Y L 2 "TYR " " HD2" 1 0 2 1 24.72 2633 173 + 2634 41 -13.818000 -8.187000 3.839000 173 " " Y L 2 "TYR " " HE1" 1 0 2 1 26.56 2634 173 + 2635 41 -15.049000 -11.851000 5.706000 173 " " Y L 2 "TYR " " HE2" 1 0 2 1 25.97 2635 173 + 2636 42 -14.587000 -8.348000 5.957000 173 " " Y L 2 "TYR " " HH " 1 0 2 1 25.97 2636 173 + 2637 25 -11.496000 -14.606000 0.327000 174 " " S L 2 "SER " " N " 7 0 2 1 21.37 2637 174 + 2638 3 -11.388000 -15.398000 -0.889000 174 " " S L 2 "SER " " CA " 6 0 2 1 19.24 2638 174 + 2639 2 -12.698000 -16.142000 -1.116000 174 " " S L 2 "SER " " C " 6 0 2 1 20.36 2639 174 + 2640 15 -13.493000 -16.329000 -0.177000 174 " " S L 2 "SER " " O " 8 0 2 1 20.31 2640 174 + 2641 3 -10.164000 -16.336000 -0.824000 174 " " S L 2 "SER " " CB " 6 0 2 1 19.91 2641 174 + 2642 16 -8.950000 -15.583000 -0.715000 174 " " S L 2 "SER " " OG " 8 0 2 1 19.56 2642 174 + 2643 43 -11.788000 -15.061000 1.180000 174 " " S L 2 "SER " " H " 1 0 2 1 21.37 2643 174 + 2644 41 -11.242000 -14.713000 -1.724000 174 " " S L 2 "SER " " HA " 1 0 2 1 19.24 2644 174 + 2645 41 -10.130000 -16.951000 -1.723000 174 " " S L 2 "SER " " HB3" 1 0 2 1 19.91 2645 174 + 2646 41 -10.259000 -16.998000 0.037000 174 " " S L 2 "SER " " HB2" 1 0 2 1 19.91 2646 174 + 2647 42 -8.365000 -16.008000 -0.084000 174 " " S L 2 "SER " " HG " 1 0 2 1 19.56 2647 174 + 2648 25 -12.929000 -16.564000 -2.352000 175 " " L L 2 "LEU " " N " 7 0 2 1 20.06 2648 175 + 2649 3 -14.201000 -17.193000 -2.709000 175 " " L L 2 "LEU " " CA " 6 0 2 1 21.62 2649 175 + 2650 2 -13.955000 -18.291000 -3.717000 175 " " L L 2 "LEU " " C " 6 0 2 1 23 2650 175 + 2651 15 -13.153000 -18.131000 -4.636000 175 " " L L 2 "LEU " " O " 8 0 2 1 22.41 2651 175 + 2652 3 -15.145000 -16.145000 -3.303000 175 " " L L 2 "LEU " " CB " 6 0 2 1 20.19 2652 175 + 2653 3 -16.549000 -16.592000 -3.739000 175 " " L L 2 "LEU " " CG " 6 0 2 1 23.21 2653 175 + 2654 3 -17.538000 -15.431000 -3.578000 175 " " L L 2 "LEU " " CD1" 6 0 2 1 27.18 2654 175 + 2655 3 -16.583000 -17.122000 -5.173000 175 " " L L 2 "LEU " " CD2" 6 0 2 1 24.61 2655 175 + 2656 43 -12.221000 -16.453000 -3.064000 175 " " L L 2 "LEU " " H " 1 0 2 1 20.06 2656 175 + 2657 41 -14.655000 -17.620000 -1.815000 175 " " L L 2 "LEU " " HA " 1 0 2 1 21.62 2657 175 + 2658 41 -14.651000 -15.654000 -4.141000 175 " " L L 2 "LEU " " HB3" 1 0 2 1 20.19 2658 175 + 2659 41 -15.236000 -15.312000 -2.606000 175 " " L L 2 "LEU " " HB2" 1 0 2 1 20.19 2659 175 + 2660 41 -16.866000 -17.397000 -3.076000 175 " " L L 2 "LEU " " HG " 1 0 2 1 23.21 2660 175 + 2661 41 -18.532000 -15.754000 -3.889000 175 " " L L 2 "LEU " "HD11" 1 0 2 1 27.18 2661 175 + 2662 41 -17.567000 -15.120000 -2.534000 175 " " L L 2 "LEU " "HD12" 1 0 2 1 27.18 2662 175 + 2663 41 -17.219000 -14.593000 -4.197000 175 " " L L 2 "LEU " "HD13" 1 0 2 1 27.18 2663 175 + 2664 41 -17.600000 -17.423000 -5.426000 175 " " L L 2 "LEU " "HD21" 1 0 2 1 24.61 2664 175 + 2665 41 -16.255000 -16.340000 -5.858000 175 " " L L 2 "LEU " "HD22" 1 0 2 1 24.61 2665 175 + 2666 41 -15.918000 -17.982000 -5.259000 175 " " L L 2 "LEU " "HD23" 1 0 2 1 24.61 2666 175 + 2667 25 -14.661000 -19.406000 -3.536000 176 " " S L 2 "SER " " N " 7 0 2 1 21.41 2667 176 + 2668 3 -14.582000 -20.535000 -4.445000 176 " " S L 2 "SER " " CA " 6 0 2 1 24.8 2668 176 + 2669 2 -15.983000 -20.760000 -5.005000 176 " " S L 2 "SER " " C " 6 0 2 1 27.61 2669 176 + 2670 15 -16.967000 -20.690000 -4.263000 176 " " S L 2 "SER " " O " 8 0 2 1 27.64 2670 176 + 2671 3 -14.082000 -21.754000 -3.661000 176 " " S L 2 "SER " " CB " 6 0 2 1 27.48 2671 176 + 2672 16 -14.029000 -22.950000 -4.423000 176 " " S L 2 "SER " " OG " 8 0 2 1 36.47 2672 176 + 2673 43 -15.280000 -19.488000 -2.742000 176 " " S L 2 "SER " " H " 1 0 2 1 21.41 2673 176 + 2674 41 -13.891000 -20.309000 -5.257000 176 " " S L 2 "SER " " HA " 1 0 2 1 24.8 2674 176 + 2675 41 -14.718000 -21.909000 -2.789000 176 " " S L 2 "SER " " HB3" 1 0 2 1 27.48 2675 176 + 2676 41 -13.094000 -21.541000 -3.254000 176 " " S L 2 "SER " " HB2" 1 0 2 1 27.48 2676 176 + 2677 42 -14.907000 -23.163000 -4.747000 176 " " S L 2 "SER " " HG " 1 0 2 1 36.47 2677 176 + 2678 25 -16.085000 -20.963000 -6.318000 177 " " S L 2 "SER " " N " 7 0 2 1 22.69 2678 177 + 2679 3 -17.342000 -21.355000 -6.935000 177 " " S L 2 "SER " " CA " 6 0 2 1 23.35 2679 177 + 2680 2 -17.133000 -22.644000 -7.726000 177 " " S L 2 "SER " " C " 6 0 2 1 22.47 2680 177 + 2681 15 -16.172000 -22.781000 -8.493000 177 " " S L 2 "SER " " O " 8 0 2 1 25.08 2681 177 + 2682 3 -17.891000 -20.242000 -7.833000 177 " " S L 2 "SER " " CB " 6 0 2 1 26.27 2682 177 + 2683 16 -19.075000 -20.660000 -8.496000 177 " " S L 2 "SER " " OG " 8 0 2 1 23.43 2683 177 + 2684 43 -15.276000 -20.845000 -6.912000 177 " " S L 2 "SER " " H " 1 0 2 1 22.69 2684 177 + 2685 41 -18.067000 -21.549000 -6.145000 177 " " S L 2 "SER " " HA " 1 0 2 1 23.35 2685 177 + 2686 41 -17.139000 -19.968000 -8.572000 177 " " S L 2 "SER " " HB3" 1 0 2 1 26.27 2686 177 + 2687 41 -18.105000 -19.361000 -7.229000 177 " " S L 2 "SER " " HB2" 1 0 2 1 26.27 2687 177 + 2688 42 -19.743000 -20.888000 -7.845000 177 " " S L 2 "SER " " HG " 1 0 2 1 23.43 2688 177 + 2689 25 -18.029000 -23.594000 -7.522000 178 " " T L 2 "THR " " N " 7 0 2 1 20.85 2689 178 + 2690 3 -17.926000 -24.878000 -8.188000 178 " " T L 2 "THR " " CA " 6 0 2 1 21.1 2690 178 + 2691 2 -19.134000 -25.088000 -9.063000 178 " " T L 2 "THR " " C " 6 0 2 1 22.33 2691 178 + 2692 15 -20.263000 -25.018000 -8.588000 178 " " T L 2 "THR " " O " 8 0 2 1 21.91 2692 178 + 2693 3 -17.831000 -26.039000 -7.171000 178 " " T L 2 "THR " " CB " 6 0 2 1 21.18 2693 178 + 2694 16 -16.691000 -25.829000 -6.324000 178 " " T L 2 "THR " " OG1" 8 0 2 1 26.9 2694 178 + 2695 3 -17.721000 -27.393000 -7.902000 178 " " T L 2 "THR " " CG2" 6 0 2 1 21.72 2695 178 + 2696 43 -18.802000 -23.432000 -6.893000 178 " " T L 2 "THR " " H " 1 0 2 1 20.85 2696 178 + 2697 41 -17.033000 -24.881000 -8.812000 178 " " T L 2 "THR " " HA " 1 0 2 1 21.1 2697 178 + 2698 41 -18.731000 -26.043000 -6.556000 178 " " T L 2 "THR " " HB " 1 0 2 1 21.18 2698 178 + 2699 42 -16.789000 -24.997000 -5.856000 178 " " T L 2 "THR " " HG1" 1 0 2 1 26.9 2699 178 + 2700 41 -17.655000 -28.198000 -7.170000 178 " " T L 2 "THR " "HG21" 1 0 2 1 21.72 2700 178 + 2701 41 -18.602000 -27.542000 -8.526000 178 " " T L 2 "THR " "HG22" 1 0 2 1 21.72 2701 178 + 2702 41 -16.828000 -27.397000 -8.527000 178 " " T L 2 "THR " "HG23" 1 0 2 1 21.72 2702 178 + 2703 25 -18.882000 -25.317000 -10.346000 179 " " L L 2 "LEU " " N " 7 0 2 1 18.39 2703 179 + 2704 3 -19.920000 -25.704000 -11.302000 179 " " L L 2 "LEU " " CA " 6 0 2 1 20.34 2704 179 + 2705 2 -19.922000 -27.230000 -11.392000 179 " " L L 2 "LEU " " C " 6 0 2 1 21.67 2705 179 + 2706 15 -18.902000 -27.834000 -11.719000 179 " " L L 2 "LEU " " O " 8 0 2 1 21.94 2706 179 + 2707 3 -19.631000 -25.081000 -12.676000 179 " " L L 2 "LEU " " CB " 6 0 2 1 18.48 2707 179 + 2708 3 -20.581000 -25.352000 -13.867000 179 " " L L 2 "LEU " " CG " 6 0 2 1 20.28 2708 179 + 2709 3 -21.865000 -24.525000 -13.694000 179 " " L L 2 "LEU " " CD1" 6 0 2 1 19.49 2709 179 + 2710 3 -19.952000 -25.021000 -15.195000 179 " " L L 2 "LEU " " CD2" 6 0 2 1 21.78 2710 179 + 2711 43 -17.940000 -25.226000 -10.700000 179 " " L L 2 "LEU " " H " 1 0 2 1 18.39 2711 179 + 2712 41 -20.890000 -25.360000 -10.944000 179 " " L L 2 "LEU " " HA " 1 0 2 1 20.34 2712 179 + 2713 41 -18.613000 -25.333000 -12.971000 179 " " L L 2 "LEU " " HB3" 1 0 2 1 18.48 2713 179 + 2714 41 -19.510000 -24.004000 -12.558000 179 " " L L 2 "LEU " " HB2" 1 0 2 1 18.48 2714 179 + 2715 41 -20.847000 -26.409000 -13.864000 179 " " L L 2 "LEU " " HG " 1 0 2 1 20.28 2715 179 + 2716 41 -22.536000 -24.715000 -14.532000 179 " " L L 2 "LEU " "HD11" 1 0 2 1 19.49 2716 179 + 2717 41 -22.358000 -24.808000 -12.764000 179 " " L L 2 "LEU " "HD12" 1 0 2 1 19.49 2717 179 + 2718 41 -21.614000 -23.465000 -13.663000 179 " " L L 2 "LEU " "HD13" 1 0 2 1 19.49 2718 179 + 2719 41 -20.661000 -25.230000 -15.996000 179 " " L L 2 "LEU " "HD21" 1 0 2 1 21.78 2719 179 + 2720 41 -19.681000 -23.965000 -15.216000 179 " " L L 2 "LEU " "HD22" 1 0 2 1 21.78 2720 179 + 2721 41 -19.058000 -25.628000 -15.335000 179 " " L L 2 "LEU " "HD23" 1 0 2 1 21.78 2721 179 + 2722 25 -21.058000 -27.861000 -11.113000 180 " " T L 2 "THR " " N " 7 0 2 1 23.51 2722 180 + 2723 3 -21.107000 -29.324000 -11.184000 180 " " T L 2 "THR " " CA " 6 0 2 1 24.6 2723 180 + 2724 2 -22.038000 -29.860000 -12.261000 180 " " T L 2 "THR " " C " 6 0 2 1 24.86 2724 180 + 2725 15 -23.237000 -29.552000 -12.286000 180 " " T L 2 "THR " " O " 8 0 2 1 23.07 2725 180 + 2726 3 -21.404000 -29.963000 -9.817000 180 " " T L 2 "THR " " CB " 6 0 2 1 28.46 2726 180 + 2727 16 -20.434000 -29.501000 -8.875000 180 " " T L 2 "THR " " OG1" 8 0 2 1 29.07 2727 180 + 2728 3 -21.309000 -31.497000 -9.903000 180 " " T L 2 "THR " " CG2" 6 0 2 1 29.89 2728 180 + 2729 43 -21.879000 -27.332000 -10.854000 180 " " T L 2 "THR " " H " 1 0 2 1 23.51 2729 180 + 2730 41 -20.104000 -29.649000 -11.460000 180 " " T L 2 "THR " " HA " 1 0 2 1 24.6 2730 180 + 2731 41 -22.402000 -29.675000 -9.487000 180 " " T L 2 "THR " " HB " 1 0 2 1 28.46 2731 180 + 2732 42 -20.485000 -28.545000 -8.806000 180 " " T L 2 "THR " " HG1" 1 0 2 1 29.07 2732 180 + 2733 41 -21.522000 -31.930000 -8.926000 180 " " T L 2 "THR " "HG21" 1 0 2 1 29.89 2733 180 + 2734 41 -22.033000 -31.866000 -10.629000 180 " " T L 2 "THR " "HG22" 1 0 2 1 29.89 2734 180 + 2735 41 -20.304000 -31.782000 -10.215000 180 " " T L 2 "THR " "HG23" 1 0 2 1 29.89 2735 180 + 2736 25 -21.461000 -30.660000 -13.152000 181 " " L L 2 "LEU " " N " 7 0 2 1 20.54 2736 181 + 2737 3 -22.188000 -31.264000 -14.264000 181 " " L L 2 "LEU " " CA " 6 0 2 1 24.47 2737 181 + 2738 2 -21.964000 -32.771000 -14.269000 181 " " L L 2 "LEU " " C " 6 0 2 1 24.83 2738 181 + 2739 15 -20.948000 -33.260000 -13.760000 181 " " L L 2 "LEU " " O " 8 0 2 1 23.96 2739 181 + 2740 3 -21.705000 -30.683000 -15.600000 181 " " L L 2 "LEU " " CB " 6 0 2 1 26.52 2740 181 + 2741 3 -21.719000 -29.167000 -15.818000 181 " " L L 2 "LEU " " CG " 6 0 2 1 32.15 2741 181 + 2742 3 -21.167000 -28.846000 -17.205000 181 " " L L 2 "LEU " " CD1" 6 0 2 1 35.07 2742 181 + 2743 3 -23.116000 -28.585000 -15.655000 181 " " L L 2 "LEU " " CD2" 6 0 2 1 33.43 2743 181 + 2744 43 -20.477000 -30.874000 -13.076000 181 " " L L 2 "LEU " " H " 1 0 2 1 20.54 2744 181 + 2745 41 -23.253000 -31.060000 -14.149000 181 " " L L 2 "LEU " " HA " 1 0 2 1 24.47 2745 181 + 2746 41 -22.250000 -31.163000 -16.413000 181 " " L L 2 "LEU " " HB3" 1 0 2 1 26.52 2746 181 + 2747 41 -20.705000 -31.062000 -15.811000 181 " " L L 2 "LEU " " HB2" 1 0 2 1 26.52 2747 181 + 2748 41 -21.067000 -28.708000 -15.075000 181 " " L L 2 "LEU " " HG " 1 0 2 1 32.15 2748 181 + 2749 41 -21.177000 -27.767000 -17.360000 181 " " L L 2 "LEU " "HD11" 1 0 2 1 35.07 2749 181 + 2750 41 -20.144000 -29.214000 -17.284000 181 " " L L 2 "LEU " "HD12" 1 0 2 1 35.07 2750 181 + 2751 41 -21.785000 -29.327000 -17.963000 181 " " L L 2 "LEU " "HD13" 1 0 2 1 35.07 2751 181 + 2752 41 -23.083000 -27.508000 -15.818000 181 " " L L 2 "LEU " "HD21" 1 0 2 1 33.43 2752 181 + 2753 41 -23.787000 -29.041000 -16.383000 181 " " L L 2 "LEU " "HD22" 1 0 2 1 33.43 2753 181 + 2754 41 -23.480000 -28.789000 -14.648000 181 " " L L 2 "LEU " "HD23" 1 0 2 1 33.43 2754 181 + 2755 25 -22.902000 -33.514000 -14.851000 182 " " S L 2 "SER " " N " 7 0 2 1 24.87 2755 182 + 2756 3 -22.645000 -34.910000 -15.152000 182 " " S L 2 "SER " " CA " 6 0 2 1 24.55 2756 182 + 2757 2 -21.566000 -34.946000 -16.235000 182 " " S L 2 "SER " " C " 6 0 2 1 24.68 2757 182 + 2758 15 -21.472000 -34.018000 -17.047000 182 " " S L 2 "SER " " O " 8 0 2 1 23.8 2758 182 + 2759 3 -23.916000 -35.599000 -15.652000 182 " " S L 2 "SER " " CB " 6 0 2 1 27.45 2759 182 + 2760 16 -24.300000 -35.099000 -16.922000 182 " " S L 2 "SER " " OG " 8 0 2 1 26.71 2760 182 + 2761 43 -23.796000 -33.107000 -15.085000 182 " " S L 2 "SER " " H " 1 0 2 1 24.87 2761 182 + 2762 41 -22.282000 -35.416000 -14.257000 182 " " S L 2 "SER " " HA " 1 0 2 1 24.55 2762 182 + 2763 41 -24.723000 -35.434000 -14.938000 182 " " S L 2 "SER " " HB3" 1 0 2 1 27.45 2763 182 + 2764 41 -23.743000 -36.673000 -15.722000 182 " " S L 2 "SER " " HB2" 1 0 2 1 27.45 2764 182 + 2765 42 -24.724000 -34.244000 -16.815000 182 " " S L 2 "SER " " HG " 1 0 2 1 26.71 2765 182 + 2766 25 -20.766000 -36.013000 -16.250000 183 " " K L 2 "LYS " " N " 7 0 1 1 28.03 2766 183 + 2767 3 -19.770000 -36.246000 -17.308000 183 " " K L 2 "LYS " " CA " 6 0 1 1 28.78 2767 183 + 2768 2 -20.384000 -36.084000 -18.695000 183 " " K L 2 "LYS " " C " 6 0 1 1 28.26 2768 183 + 2769 15 -19.763000 -35.489000 -19.587000 183 " " K L 2 "LYS " " O " 8 0 1 1 28.56 2769 183 + 2770 3 -19.133000 -37.642000 -17.157000 183 " " K L 2 "LYS " " CB " 6 0 1 1 28.89 2770 183 + 2771 3 -18.011000 -37.948000 -18.143000 183 " " K L 2 "LYS " " CG " 6 0 1 1 33.93 2771 183 + 2772 3 -17.591000 -39.406000 -18.044000 183 " " K L 2 "LYS " " CD " 6 0 1 1 35.53 2772 183 + 2773 3 -16.458000 -39.722000 -19.000000 183 " " K L 2 "LYS " " CE " 6 0 1 1 43.94 2773 183 + 2774 32 -16.012000 -41.134000 -18.881000 183 " " K L 2 "LYS " " NZ " 7 1 1 1 47.99 2774 183 + 2775 43 -20.830000 -36.702000 -15.514000 183 " " K L 2 "LYS " " H " 1 0 1 1 28.03 2775 183 + 2776 41 -18.981000 -35.502000 -17.199000 183 " " K L 2 "LYS " " HA " 1 0 1 1 28.78 2776 183 + 2777 41 -19.908000 -38.403000 -17.245000 183 " " K L 2 "LYS " " HB3" 1 0 1 1 28.89 2777 183 + 2778 41 -18.761000 -37.760000 -16.139000 183 " " K L 2 "LYS " " HB2" 1 0 1 1 28.89 2778 183 + 2779 41 -17.155000 -37.308000 -17.929000 183 " " K L 2 "LYS " " HG3" 1 0 1 1 33.93 2779 183 + 2780 41 -18.351000 -37.736000 -19.157000 183 " " K L 2 "LYS " " HG2" 1 0 1 1 33.93 2780 183 + 2781 41 -18.445000 -40.045000 -18.269000 183 " " K L 2 "LYS " " HD3" 1 0 1 1 35.53 2781 183 + 2782 41 -17.276000 -39.624000 -17.024000 183 " " K L 2 "LYS " " HD2" 1 0 1 1 35.53 2782 183 + 2783 41 -15.617000 -39.058000 -18.798000 183 " " K L 2 "LYS " " HE3" 1 0 1 1 43.94 2783 183 + 2784 41 -16.782000 -39.529000 -20.023000 183 " " K L 2 "LYS " " HE2" 1 0 1 1 43.94 2784 183 + 2785 44 -16.784000 -41.750000 -19.091000 183 " " K L 2 "LYS " " HZ1" 1 0 1 1 47.99 2785 183 + 2786 44 -15.259000 -41.306000 -19.531000 183 " " K L 2 "LYS " " HZ2" 1 0 1 1 47.99 2786 183 + 2787 44 -15.689000 -41.308000 -17.940000 183 " " K L 2 "LYS " " HZ3" 1 0 1 1 47.99 2787 183 + 2788 25 -21.605000 -36.601000 -18.861000 184 " " A L 2 "ALA " " N " 7 0 1 1 23.37 2788 184 + 2789 3 -22.320000 -36.556000 -20.140000 184 " " A L 2 "ALA " " CA " 6 0 1 1 25.59 2789 184 + 2790 2 -22.563000 -35.125000 -20.618000 184 " " A L 2 "ALA " " C " 6 0 1 1 24.61 2790 184 + 2791 15 -22.289000 -34.816000 -21.779000 184 " " A L 2 "ALA " " O " 8 0 1 1 24.11 2791 184 + 2792 3 -23.637000 -37.330000 -20.061000 184 " " A L 2 "ALA " " CB " 6 0 1 1 27.79 2792 184 + 2793 43 -22.074000 -37.047000 -18.086000 184 " " A L 2 "ALA " " H " 1 0 1 1 23.37 2793 184 + 2794 41 -21.694000 -37.049000 -20.884000 184 " " A L 2 "ALA " " HA " 1 0 1 1 25.59 2794 184 + 2795 41 -24.147000 -37.280000 -21.023000 184 " " A L 2 "ALA " " HB1" 1 0 1 1 27.79 2795 184 + 2796 41 -23.433000 -38.371000 -19.812000 184 " " A L 2 "ALA " " HB2" 1 0 1 1 27.79 2796 184 + 2797 41 -24.272000 -36.891000 -19.291000 184 " " A L 2 "ALA " " HB3" 1 0 1 1 27.79 2797 184 + 2798 25 -23.061000 -34.266000 -19.723000 185 " " D L 2 "ASP " " N " 7 0 1 1 23.08 2798 185 + 2799 3 -23.282000 -32.851000 -20.036000 185 " " D L 2 "ASP " " CA " 6 0 1 1 25.88 2799 185 + 2800 2 -21.967000 -32.122000 -20.265000 185 " " D L 2 "ASP " " C " 6 0 1 1 26.14 2800 185 + 2801 15 -21.841000 -31.344000 -21.210000 185 " " D L 2 "ASP " " O " 8 0 1 1 27.36 2801 185 + 2802 3 -24.058000 -32.143000 -18.919000 185 " " D L 2 "ASP " " CB " 6 0 1 1 30.22 2802 185 + 2803 2 -25.520000 -32.543000 -18.870000 185 " " D L 2 "ASP " " CG " 6 0 1 1 35.68 2803 185 + 2804 15 -26.015000 -33.196000 -19.818000 185 " " D L 2 "ASP " " OD1" 8 0 1 1 36.15 2804 185 + 2805 18 -26.175000 -32.201000 -17.865000 185 " " D L 2 "ASP " " OD2" 8 -1 1 1 37.55 2805 185 + 2806 43 -23.299000 -34.585000 -18.795000 185 " " D L 2 "ASP " " H " 1 0 1 1 23.08 2806 185 + 2807 41 -23.870000 -32.791000 -20.952000 185 " " D L 2 "ASP " " HA " 1 0 1 1 25.88 2807 185 + 2808 41 -23.982000 -31.064000 -19.053000 185 " " D L 2 "ASP " " HB3" 1 0 1 1 30.22 2808 185 + 2809 41 -23.591000 -32.361000 -17.959000 185 " " D L 2 "ASP " " HB2" 1 0 1 1 30.22 2809 185 + 2810 25 -20.991000 -32.374000 -19.391000 186 " " Y L 2 "TYR " " N " 7 0 1 1 24.09 2810 186 + 2811 3 -19.666000 -31.776000 -19.535000 186 " " Y L 2 "TYR " " CA " 6 0 1 1 23.32 2811 186 + 2812 2 -19.097000 -32.030000 -20.933000 186 " " Y L 2 "TYR " " C " 6 0 1 1 24.47 2812 186 + 2813 15 -18.518000 -31.130000 -21.547000 186 " " Y L 2 "TYR " " O " 8 0 1 1 24.15 2813 186 + 2814 3 -18.707000 -32.306000 -18.469000 186 " " Y L 2 "TYR " " CB " 6 0 1 1 25.15 2814 186 + 2815 2 -17.290000 -31.761000 -18.586000 186 " " Y L 2 "TYR " " CG " 6 0 1 1 23.41 2815 186 + 2816 2 -17.000000 -30.436000 -18.256000 186 " " Y L 2 "TYR " " CD1" 6 0 1 1 24.07 2816 186 + 2817 2 -16.239000 -32.578000 -18.994000 186 " " Y L 2 "TYR " " CD2" 6 0 1 1 21.72 2817 186 + 2818 2 -15.698000 -29.926000 -18.362000 186 " " Y L 2 "TYR " " CE1" 6 0 1 1 22.4 2818 186 + 2819 2 -14.922000 -32.078000 -19.082000 186 " " Y L 2 "TYR " " CE2" 6 0 1 1 23.45 2819 186 + 2820 2 -14.667000 -30.757000 -18.775000 186 " " Y L 2 "TYR " " CZ " 6 0 1 1 24.08 2820 186 + 2821 16 -13.380000 -30.255000 -18.868000 186 " " Y L 2 "TYR " " OH " 8 0 1 1 24.26 2821 186 + 2822 43 -21.160000 -32.990000 -18.609000 186 " " Y L 2 "TYR " " H " 1 0 1 1 24.09 2822 186 + 2823 41 -19.763000 -30.699000 -19.399000 186 " " Y L 2 "TYR " " HA " 1 0 1 1 23.32 2823 186 + 2824 41 -18.681000 -33.395000 -18.516000 186 " " Y L 2 "TYR " " HB3" 1 0 1 1 25.15 2824 186 + 2825 41 -19.103000 -32.075000 -17.480000 186 " " Y L 2 "TYR " " HB2" 1 0 1 1 25.15 2825 186 + 2826 41 -17.786000 -29.781000 -17.911000 186 " " Y L 2 "TYR " " HD1" 1 0 1 1 24.07 2826 186 + 2827 41 -16.425000 -33.611000 -19.249000 186 " " Y L 2 "TYR " " HD2" 1 0 1 1 21.72 2827 186 + 2828 41 -15.502000 -28.891000 -18.123000 186 " " Y L 2 "TYR " " HE1" 1 0 1 1 22.4 2828 186 + 2829 41 -14.117000 -32.729000 -19.389000 186 " " Y L 2 "TYR " " HE2" 1 0 1 1 23.45 2829 186 + 2830 42 -12.786000 -30.948000 -19.165000 186 " " Y L 2 "TYR " " HH " 1 0 1 1 24.26 2830 186 + 2831 25 -19.279000 -33.250000 -21.440000 187 " " E L 2 "GLU " " N " 7 0 0 1 25.71 2831 187 + 2832 3 -18.707000 -33.639000 -22.735000 187 " " E L 2 "GLU " " CA " 6 0 0 1 28.01 2832 187 + 2833 2 -19.497000 -33.123000 -23.933000 187 " " E L 2 "GLU " " C " 6 0 0 1 28.22 2833 187 + 2834 15 -19.089000 -33.323000 -25.085000 187 " " E L 2 "GLU " " O " 8 0 0 1 28.91 2834 187 + 2835 3 -18.545000 -35.159000 -22.832000 187 " " E L 2 "GLU " " CB " 6 0 0 1 31.27 2835 187 + 2836 3 -17.464000 -35.717000 -21.931000 187 " " E L 2 "GLU " " CG " 6 0 0 1 35.2 2836 187 + 2837 2 -17.322000 -37.225000 -22.040000 187 " " E L 2 "GLU " " CD " 6 0 0 1 36.02 2837 187 + 2838 15 -18.129000 -37.861000 -22.758000 187 " " E L 2 "GLU " " OE1" 8 0 0 1 36.97 2838 187 + 2839 18 -16.396000 -37.770000 -21.399000 187 " " E L 2 "GLU " " OE2" 8 -1 0 1 38.99 2839 187 + 2840 43 -19.822000 -33.933000 -20.931000 187 " " E L 2 "GLU " " H " 1 0 0 1 25.71 2840 187 + 2841 41 -17.710000 -33.203000 -22.793000 187 " " E L 2 "GLU " " HA " 1 0 0 1 28.01 2841 187 + 2842 41 -18.333000 -35.435000 -23.865000 187 " " E L 2 "GLU " " HB3" 1 0 0 1 31.27 2842 187 + 2843 41 -19.495000 -35.640000 -22.597000 187 " " E L 2 "GLU " " HB2" 1 0 0 1 31.27 2843 187 + 2844 41 -17.680000 -35.447000 -20.897000 187 " " E L 2 "GLU " " HG3" 1 0 0 1 35.2 2844 187 + 2845 41 -16.512000 -35.245000 -22.173000 187 " " E L 2 "GLU " " HG2" 1 0 0 1 35.2 2845 187 + 2846 25 -20.628000 -32.474000 -23.673000 188 " " K L 2 "LYS " " N " 7 0 0 1 25.91 2846 188 + 2847 3 -21.435000 -31.906000 -24.750000 188 " " K L 2 "LYS " " CA " 6 0 0 1 29.59 2847 188 + 2848 2 -20.922000 -30.527000 -25.147000 188 " " K L 2 "LYS " " C " 6 0 0 1 26.55 2848 188 + 2849 15 -21.313000 -30.001000 -26.185000 188 " " K L 2 "LYS " " O " 8 0 0 1 26.38 2849 188 + 2850 3 -22.911000 -31.811000 -24.348000 188 " " K L 2 "LYS " " CB " 6 0 0 1 30.9 2850 188 + 2851 3 -23.684000 -33.119000 -24.384000 188 " " K L 2 "LYS " " CG " 6 0 0 1 34.53 2851 188 + 2852 3 -25.122000 -32.884000 -23.930000 188 " " K L 2 "LYS " " CD " 6 0 0 1 37.73 2852 188 + 2853 3 -25.907000 -34.181000 -23.747000 188 " " K L 2 "LYS " " CE " 6 0 0 1 43.18 2853 188 + 2854 32 -26.350000 -34.776000 -25.041000 188 " " K L 2 "LYS " " NZ " 7 1 0 1 46.23 2854 188 + 2855 43 -20.941000 -32.368000 -22.719000 188 " " K L 2 "LYS " " H " 1 0 0 1 25.91 2855 188 + 2856 41 -21.358000 -32.562000 -25.617000 188 " " K L 2 "LYS " " HA " 1 0 0 1 29.59 2856 188 + 2857 41 -23.411000 -31.080000 -24.983000 188 " " K L 2 "LYS " " HB3" 1 0 0 1 30.9 2857 188 + 2858 41 -22.985000 -31.376000 -23.351000 188 " " K L 2 "LYS " " HB2" 1 0 0 1 30.9 2858 188 + 2859 41 -23.207000 -33.841000 -23.721000 188 " " K L 2 "LYS " " HG3" 1 0 0 1 34.53 2859 188 + 2860 41 -23.684000 -33.513000 -25.400000 188 " " K L 2 "LYS " " HG2" 1 0 0 1 34.53 2860 188 + 2861 41 -25.632000 -32.251000 -24.656000 188 " " K L 2 "LYS " " HD3" 1 0 0 1 37.73 2861 188 + 2862 41 -25.119000 -32.327000 -22.993000 188 " " K L 2 "LYS " " HD2" 1 0 0 1 37.73 2862 188 + 2863 41 -26.777000 -33.992000 -23.119000 188 " " K L 2 "LYS " " HE3" 1 0 0 1 43.18 2863 188 + 2864 41 -25.293000 -34.903000 -23.208000 188 " " K L 2 "LYS " " HE2" 1 0 0 1 43.18 2864 188 + 2865 44 -25.542000 -34.982000 -25.611000 188 " " K L 2 "LYS " " HZ1" 1 0 0 1 46.23 2865 188 + 2866 44 -26.862000 -35.628000 -24.863000 188 " " K L 2 "LYS " " HZ2" 1 0 0 1 46.23 2866 188 + 2867 44 -26.946000 -34.121000 -25.527000 188 " " K L 2 "LYS " " HZ3" 1 0 0 1 46.23 2867 188 + 2868 25 -20.046000 -29.947000 -24.323000 189 " " H L 2 "HIS " " N " 7 0 0 1 24.07 2868 189 + 2869 3 -19.636000 -28.562000 -24.504000 189 " " H L 2 "HIS " " CA " 6 0 0 1 25.93 2869 189 + 2870 2 -18.121000 -28.374000 -24.562000 189 " " H L 2 "HIS " " C " 6 0 0 1 24.39 2870 189 + 2871 15 -17.358000 -29.239000 -24.127000 189 " " H L 2 "HIS " " O " 8 0 0 1 27.07 2871 189 + 2872 3 -20.276000 -27.696000 -23.416000 189 " " H L 2 "HIS " " CB " 6 0 0 1 27.6 2872 189 + 2873 2 -21.762000 -27.855000 -23.336000 189 " " H L 2 "HIS " " CG " 6 0 0 1 30.99 2873 189 + 2874 25 -22.388000 -28.523000 -22.304000 189 " " H L 2 "HIS " " ND1" 7 0 0 1 36.49 2874 189 + 2875 2 -22.744000 -27.460000 -24.178000 189 " " H L 2 "HIS " " CD2" 6 0 0 1 27.95 2875 189 + 2876 2 -23.693000 -28.519000 -22.508000 189 " " H L 2 "HIS " " CE1" 6 0 0 1 35.31 2876 189 + 2877 25 -23.934000 -27.881000 -23.640000 189 " " H L 2 "HIS " " NE2" 7 0 0 1 31.64 2877 189 + 2878 43 -19.653000 -30.471000 -23.554000 189 " " H L 2 "HIS " " H " 1 0 0 1 24.07 2878 189 + 2879 41 -20.039000 -28.229000 -25.460000 189 " " H L 2 "HIS " " HA " 1 0 0 1 25.93 2879 189 + 2880 41 -20.033000 -26.649000 -23.597000 189 " " H L 2 "HIS " " HB3" 1 0 0 1 27.6 2880 189 + 2881 41 -19.833000 -27.942000 -22.451000 189 " " H L 2 "HIS " " HB2" 1 0 0 1 27.6 2881 189 + 2882 43 -21.841000 -28.919000 -21.553000 189 " " H L 2 "HIS " " HD1" 1 0 0 1 36.49 2882 189 + 2883 41 -22.497000 -26.917000 -25.079000 189 " " H L 2 "HIS " " HD2" 1 0 0 1 27.95 2883 189 + 2884 41 -24.352000 -28.992000 -21.795000 189 " " H L 2 "HIS " " HE1" 1 0 0 1 35.31 2884 189 + 2885 25 -17.699000 -27.237000 -25.108000 190 " " K L 2 "LYS " " N " 7 0 0 1 24.53 2885 190 + 2886 3 -16.281000 -26.964000 -25.341000 190 " " K L 2 "LYS " " CA " 6 0 0 1 25.13 2886 190 + 2887 2 -15.703000 -25.926000 -24.381000 190 " " K L 2 "LYS " " C " 6 0 0 1 22.3 2887 190 + 2888 15 -14.755000 -26.229000 -23.671000 190 " " K L 2 "LYS " " O " 8 0 0 1 24.38 2888 190 + 2889 3 -16.057000 -26.531000 -26.797000 190 " " K L 2 "LYS " " CB " 6 0 0 1 27.23 2889 190 + 2890 3 -14.625000 -26.166000 -27.149000 190 " " K L 2 "LYS " " CG " 6 0 0 1 31.23 2890 190 + 2891 3 -14.547000 -25.667000 -28.584000 190 " " K L 2 "LYS " " CD " 6 0 0 1 37.12 2891 190 + 2892 3 -13.240000 -24.942000 -28.867000 190 " " K L 2 "LYS " " CE " 6 0 0 1 41.18 2892 190 + 2893 32 -13.322000 -24.157000 -30.140000 190 " " K L 2 "LYS " " NZ " 7 1 0 1 40.16 2893 190 + 2894 43 -18.366000 -26.528000 -25.377000 190 " " K L 2 "LYS " " H " 1 0 0 1 24.53 2894 190 + 2895 41 -15.736000 -27.895000 -25.187000 190 " " K L 2 "LYS " " HA " 1 0 0 1 25.13 2895 190 + 2896 41 -16.710000 -25.690000 -27.027000 190 " " K L 2 "LYS " " HB3" 1 0 0 1 27.23 2896 190 + 2897 41 -16.402000 -27.320000 -27.465000 190 " " K L 2 "LYS " " HB2" 1 0 0 1 27.23 2897 190 + 2898 41 -13.988000 -27.043000 -27.035000 190 " " K L 2 "LYS " " HG3" 1 0 0 1 31.23 2898 190 + 2899 41 -14.273000 -25.386000 -26.474000 190 " " K L 2 "LYS " " HG2" 1 0 0 1 31.23 2899 190 + 2900 41 -15.383000 -24.996000 -28.781000 190 " " K L 2 "LYS " " HD3" 1 0 0 1 37.12 2900 190 + 2901 41 -14.649000 -26.510000 -29.267000 190 " " K L 2 "LYS " " HD2" 1 0 0 1 37.12 2901 190 + 2902 41 -12.431000 -25.668000 -28.940000 190 " " K L 2 "LYS " " HE3" 1 0 0 1 41.18 2902 190 + 2903 41 -13.012000 -24.270000 -28.040000 190 " " K L 2 "LYS " " HE2" 1 0 0 1 41.18 2903 190 + 2904 44 -14.155000 -23.585000 -30.130000 190 " " K L 2 "LYS " " HZ1" 1 0 0 1 40.16 2904 190 + 2905 44 -12.508000 -23.565000 -30.224000 190 " " K L 2 "LYS " " HZ2" 1 0 0 1 40.16 2905 190 + 2906 44 -13.359000 -24.791000 -30.925000 190 " " K L 2 "LYS " " HZ3" 1 0 0 1 40.16 2906 190 + 2907 25 -16.274000 -24.716000 -24.373000 191 " " V L 2 "VAL " " N " 7 0 2 1 21.76 2907 191 + 2908 3 -15.709000 -23.555000 -23.652000 191 " " V L 2 "VAL " " CA " 6 0 2 1 19.61 2908 191 + 2909 2 -16.342000 -23.373000 -22.274000 191 " " V L 2 "VAL " " C " 6 0 2 1 19.24 2909 191 + 2910 15 -17.558000 -23.185000 -22.159000 191 " " V L 2 "VAL " " O " 8 0 2 1 19.21 2910 191 + 2911 3 -15.859000 -22.224000 -24.454000 191 " " V L 2 "VAL " " CB " 6 0 2 1 21.59 2911 191 + 2912 3 -15.060000 -21.096000 -23.795000 191 " " V L 2 "VAL " " CG1" 6 0 2 1 20.31 2912 191 + 2913 3 -15.441000 -22.394000 -25.928000 191 " " V L 2 "VAL " " CG2" 6 0 2 1 22.55 2913 191 + 2914 43 -17.135000 -24.561000 -24.877000 191 " " V L 2 "VAL " " H " 1 0 2 1 21.76 2914 191 + 2915 41 -14.644000 -23.739000 -23.508000 191 " " V L 2 "VAL " " HA " 1 0 2 1 19.61 2915 191 + 2916 41 -16.912000 -21.941000 -24.437000 191 " " V L 2 "VAL " " HB " 1 0 2 1 21.59 2916 191 + 2917 41 -15.181000 -20.179000 -24.372000 191 " " V L 2 "VAL " "HG11" 1 0 2 1 20.31 2917 191 + 2918 41 -15.425000 -20.936000 -22.780000 191 " " V L 2 "VAL " "HG12" 1 0 2 1 20.31 2918 191 + 2919 41 -14.005000 -21.368000 -23.763000 191 " " V L 2 "VAL " "HG13" 1 0 2 1 20.31 2919 191 + 2920 41 -15.560000 -21.445000 -26.452000 191 " " V L 2 "VAL " "HG21" 1 0 2 1 22.55 2920 191 + 2921 41 -14.398000 -22.707000 -25.977000 191 " " V L 2 "VAL " "HG22" 1 0 2 1 22.55 2921 191 + 2922 41 -16.069000 -23.150000 -26.399000 191 " " V L 2 "VAL " "HG23" 1 0 2 1 22.55 2922 191 + 2923 25 -15.511000 -23.440000 -21.238000 192 " " Y L 2 "TYR " " N " 7 0 2 1 17.27 2923 192 + 2924 3 -15.962000 -23.286000 -19.848000 192 " " Y L 2 "TYR " " CA " 6 0 2 1 19.89 2924 192 + 2925 2 -15.334000 -22.028000 -19.300000 192 " " Y L 2 "TYR " " C " 6 0 2 1 20.75 2925 192 + 2926 15 -14.109000 -21.913000 -19.265000 192 " " Y L 2 "TYR " " O " 8 0 2 1 22.41 2926 192 + 2927 3 -15.568000 -24.511000 -19.024000 192 " " Y L 2 "TYR " " CB " 6 0 2 1 21.7 2927 192 + 2928 2 -16.436000 -25.670000 -19.385000 192 " " Y L 2 "TYR " " CG " 6 0 2 1 23.74 2928 192 + 2929 2 -17.570000 -25.957000 -18.634000 192 " " Y L 2 "TYR " " CD1" 6 0 2 1 22.15 2929 192 + 2930 2 -16.170000 -26.441000 -20.518000 192 " " Y L 2 "TYR " " CD2" 6 0 2 1 20.09 2930 192 + 2931 2 -18.407000 -26.995000 -18.976000 192 " " Y L 2 "TYR " " CE1" 6 0 2 1 21.4 2931 192 + 2932 2 -17.021000 -27.495000 -20.878000 192 " " Y L 2 "TYR " " CE2" 6 0 2 1 20.57 2932 192 + 2933 2 -18.131000 -27.762000 -20.094000 192 " " Y L 2 "TYR " " CZ " 6 0 2 1 20.51 2933 192 + 2934 16 -18.999000 -28.782000 -20.428000 192 " " Y L 2 "TYR " " OH " 8 0 2 1 23.32 2934 192 + 2935 43 -14.526000 -23.603000 -21.390000 192 " " Y L 2 "TYR " " H " 1 0 2 1 17.27 2935 192 + 2936 41 -17.047000 -23.179000 -19.834000 192 " " Y L 2 "TYR " " HA " 1 0 2 1 19.89 2936 192 + 2937 41 -15.683000 -24.288000 -17.963000 192 " " Y L 2 "TYR " " HB3" 1 0 2 1 21.7 2937 192 + 2938 41 -14.526000 -24.762000 -19.222000 192 " " Y L 2 "TYR " " HB2" 1 0 2 1 21.7 2938 192 + 2939 41 -17.807000 -25.361000 -17.765000 192 " " Y L 2 "TYR " " HD1" 1 0 2 1 22.15 2939 192 + 2940 41 -15.303000 -26.227000 -21.125000 192 " " Y L 2 "TYR " " HD2" 1 0 2 1 20.09 2940 192 + 2941 41 -19.277000 -27.209000 -18.372000 192 " " Y L 2 "TYR " " HE1" 1 0 2 1 21.4 2941 192 + 2942 41 -16.807000 -28.086000 -21.756000 192 " " Y L 2 "TYR " " HE2" 1 0 2 1 20.57 2942 192 + 2943 42 -18.514000 -29.484000 -20.868000 192 " " Y L 2 "TYR " " HH " 1 0 2 1 23.32 2943 192 + 2944 25 -16.170000 -21.079000 -18.889000 193 " " A L 2 "ALA " " N " 7 0 2 1 18.07 2944 193 + 2945 3 -15.676000 -19.771000 -18.495000 193 " " A L 2 "ALA " " CA " 6 0 2 1 19.02 2945 193 + 2946 2 -16.273000 -19.348000 -17.174000 193 " " A L 2 "ALA " " C " 6 0 2 1 22.24 2946 193 + 2947 15 -17.437000 -19.645000 -16.891000 193 " " A L 2 "ALA " " O " 8 0 2 1 21.61 2947 193 + 2948 3 -15.959000 -18.737000 -19.584000 193 " " A L 2 "ALA " " CB " 6 0 2 1 16.54 2948 193 + 2949 43 -17.162000 -21.263000 -18.848000 193 " " A L 2 "ALA " " H " 1 0 2 1 18.07 2949 193 + 2950 41 -14.596000 -19.842000 -18.370000 193 " " A L 2 "ALA " " HA " 1 0 2 1 19.02 2950 193 + 2951 41 -15.581000 -17.764000 -19.269000 193 " " A L 2 "ALA " " HB1" 1 0 2 1 16.54 2951 193 + 2952 41 -15.464000 -19.037000 -20.508000 193 " " A L 2 "ALA " " HB2" 1 0 2 1 16.54 2952 193 + 2953 41 -17.034000 -18.671000 -19.753000 193 " " A L 2 "ALA " " HB3" 1 0 2 1 16.54 2953 193 + 2954 25 -15.435000 -18.712000 -16.355000 194 " " C L 2 "CYS " " N " 7 0 2 1 22.01 2954 194 + 2955 3 -15.858000 -18.078000 -15.120000 194 " " C L 2 "CYS " " CA " 6 0 2 1 20.75 2955 194 + 2956 2 -15.649000 -16.566000 -15.305000 194 " " C L 2 "CYS " " C " 6 0 2 1 23.53 2956 194 + 2957 15 -14.518000 -16.124000 -15.542000 194 " " C L 2 "CYS " " O " 8 0 2 1 23.06 2957 194 + 2958 3 -15.006000 -18.622000 -13.956000 194 " " C L 2 "CYS " " CB " 6 0 2 1 26.87 2958 194 + 2959 49 -15.214000 -17.692000 -12.471000 194 " " C L 2 "CYS " " SG " 16 0 2 1 35.67 2959 194 + 2960 43 -14.453000 -18.655000 -16.583000 194 " " C L 2 "CYS " " H " 1 0 2 1 22.01 2960 194 + 2961 41 -16.912000 -18.287000 -14.938000 194 " " C L 2 "CYS " " HA " 1 0 2 1 20.75 2961 194 + 2962 41 -13.954000 -18.616000 -14.243000 194 " " C L 2 "CYS " " HB3" 1 0 2 1 26.87 2962 194 + 2963 41 -15.268000 -19.664000 -13.771000 194 " " C L 2 "CYS " " HB2" 1 0 2 1 26.87 2963 194 + 2964 25 -16.730000 -15.779000 -15.238000 195 " " E L 2 "GLU " " N " 7 0 2 1 20.89 2964 195 + 2965 3 -16.634000 -14.312000 -15.363000 195 " " E L 2 "GLU " " CA " 6 0 2 1 21.85 2965 195 + 2966 2 -16.810000 -13.631000 -14.004000 195 " " E L 2 "GLU " " C " 6 0 2 1 20.53 2966 195 + 2967 15 -17.818000 -13.835000 -13.337000 195 " " E L 2 "GLU " " O " 8 0 2 1 21.86 2967 195 + 2968 3 -17.687000 -13.783000 -16.337000 195 " " E L 2 "GLU " " CB " 6 0 2 1 24.67 2968 195 + 2969 3 -17.669000 -12.274000 -16.528000 195 " " E L 2 "GLU " " CG " 6 0 2 1 29.62 2969 195 + 2970 2 -18.982000 -11.748000 -17.066000 195 " " E L 2 "GLU " " CD " 6 0 2 1 35.07 2970 195 + 2971 15 -19.959000 -11.641000 -16.287000 195 " " E L 2 "GLU " " OE1" 8 0 2 1 37.65 2971 195 + 2972 18 -19.031000 -11.445000 -18.270000 195 " " E L 2 "GLU " " OE2" 8 -1 2 1 36.89 2972 195 + 2973 43 -17.643000 -16.187000 -15.098000 195 " " E L 2 "GLU " " H " 1 0 2 1 20.89 2973 195 + 2974 41 -15.647000 -14.061000 -15.751000 195 " " E L 2 "GLU " " HA " 1 0 2 1 21.85 2974 195 + 2975 41 -18.677000 -14.093000 -16.002000 195 " " E L 2 "GLU " " HB3" 1 0 2 1 24.67 2975 195 + 2976 41 -17.562000 -14.271000 -17.304000 195 " " E L 2 "GLU " " HB2" 1 0 2 1 24.67 2976 195 + 2977 41 -16.863000 -12.005000 -17.211000 195 " " E L 2 "GLU " " HG3" 1 0 2 1 29.62 2977 195 + 2978 41 -17.448000 -11.791000 -15.576000 195 " " E L 2 "GLU " " HG2" 1 0 2 1 29.62 2978 195 + 2979 25 -15.829000 -12.829000 -13.611000 196 " " V L 2 "VAL " " N " 7 0 2 1 18.03 2979 196 + 2980 3 -15.815000 -12.204000 -12.284000 196 " " V L 2 "VAL " " CA " 6 0 2 1 21.64 2980 196 + 2981 2 -15.974000 -10.689000 -12.383000 196 " " V L 2 "VAL " " C " 6 0 2 1 22.18 2981 196 + 2982 15 -15.249000 -10.022000 -13.132000 196 " " V L 2 "VAL " " O " 8 0 2 1 21.05 2982 196 + 2983 3 -14.506000 -12.543000 -11.533000 196 " " V L 2 "VAL " " CB " 6 0 2 1 23.07 2983 196 + 2984 3 -14.389000 -11.764000 -10.202000 196 " " V L 2 "VAL " " CG1" 6 0 2 1 18.13 2984 196 + 2985 3 -14.407000 -14.037000 -11.311000 196 " " V L 2 "VAL " " CG2" 6 0 2 1 22.01 2985 196 + 2986 43 -15.058000 -12.631000 -14.233000 196 " " V L 2 "VAL " " H " 1 0 2 1 18.03 2986 196 + 2987 41 -16.652000 -12.600000 -11.710000 196 " " V L 2 "VAL " " HA " 1 0 2 1 21.64 2987 196 + 2988 41 -13.671000 -12.245000 -12.168000 196 " " V L 2 "VAL " " HB " 1 0 2 1 23.07 2988 196 + 2989 41 -13.456000 -12.030000 -9.705000 196 " " V L 2 "VAL " "HG11" 1 0 2 1 18.13 2989 196 + 2990 41 -14.399000 -10.693000 -10.405000 196 " " V L 2 "VAL " "HG12" 1 0 2 1 18.13 2990 196 + 2991 41 -15.229000 -12.019000 -9.556000 196 " " V L 2 "VAL " "HG13" 1 0 2 1 18.13 2991 196 + 2992 41 -13.482000 -14.266000 -10.782000 196 " " V L 2 "VAL " "HG21" 1 0 2 1 22.01 2992 196 + 2993 41 -15.257000 -14.374000 -10.718000 196 " " V L 2 "VAL " "HG22" 1 0 2 1 22.01 2993 196 + 2994 41 -14.410000 -14.549000 -12.273000 196 " " V L 2 "VAL " "HG23" 1 0 2 1 22.01 2994 196 + 2995 25 -16.936000 -10.177000 -11.628000 197 " " T L 2 "THR " " N " 7 0 2 1 23.32 2995 197 + 2996 3 -17.162000 -8.756000 -11.452000 197 " " T L 2 "THR " " CA " 6 0 2 1 22.56 2996 197 + 2997 2 -16.872000 -8.401000 -9.998000 197 " " T L 2 "THR " " C " 6 0 2 1 23.29 2997 197 + 2998 15 -17.356000 -9.066000 -9.078000 197 " " T L 2 "THR " " O " 8 0 2 1 21.57 2998 197 + 2999 3 -18.622000 -8.361000 -11.795000 197 " " T L 2 "THR " " CB " 6 0 2 1 25.14 2999 197 + 3000 16 -18.930000 -8.783000 -13.127000 197 " " T L 2 "THR " " OG1" 8 0 2 1 25.85 3000 197 + 3001 3 -18.802000 -6.853000 -11.715000 197 " " T L 2 "THR " " CG2" 6 0 2 1 24.66 3001 197 + 3002 43 -17.568000 -10.789000 -11.131000 197 " " T L 2 "THR " " H " 1 0 2 1 23.32 3002 197 + 3003 41 -16.480000 -8.203000 -12.098000 197 " " T L 2 "THR " " HA " 1 0 2 1 22.56 3003 197 + 3004 41 -19.303000 -8.845000 -11.095000 197 " " T L 2 "THR " " HB " 1 0 2 1 25.14 3004 197 + 3005 42 -18.330000 -8.358000 -13.745000 197 " " T L 2 "THR " " HG1" 1 0 2 1 25.85 3005 197 + 3006 41 -19.833000 -6.596000 -11.959000 197 " " T L 2 "THR " "HG21" 1 0 2 1 24.66 3006 197 + 3007 41 -18.572000 -6.512000 -10.705000 197 " " T L 2 "THR " "HG22" 1 0 2 1 24.66 3007 197 + 3008 41 -18.130000 -6.368000 -12.423000 197 " " T L 2 "THR " "HG23" 1 0 2 1 24.66 3008 197 + 3009 25 -16.062000 -7.360000 -9.814000 198 " " H L 2 "HIS " " N " 7 0 0 1 21.53 3009 198 + 3010 3 -15.699000 -6.845000 -8.492000 198 " " H L 2 "HIS " " CA " 6 0 0 1 22.17 3010 198 + 3011 2 -15.229000 -5.399000 -8.670000 198 " " H L 2 "HIS " " C " 6 0 0 1 21.78 3011 198 + 3012 15 -14.590000 -5.064000 -9.675000 198 " " H L 2 "HIS " " O " 8 0 0 1 22.06 3012 198 + 3013 3 -14.597000 -7.711000 -7.856000 198 " " H L 2 "HIS " " CB " 6 0 0 1 19.12 3013 198 + 3014 2 -14.132000 -7.232000 -6.514000 198 " " H L 2 "HIS " " CG " 6 0 0 1 20.53 3014 198 + 3015 25 -13.216000 -6.292000 -6.169000 198 " " H L 2 "HIS " " ND1" 7 0 0 1 21.55 3015 198 + 3016 2 -14.619000 -7.746000 -5.329000 198 " " H L 2 "HIS " " CD2" 6 0 0 1 20.3 3016 198 + 3017 2 -13.170000 -6.256000 -4.795000 198 " " H L 2 "HIS " " CE1" 6 0 0 1 20.82 3017 198 + 3018 25 -14.021000 -7.146000 -4.312000 198 " " H L 2 "HIS " " NE2" 7 0 0 1 25.63 3018 198 + 3019 43 -15.664000 -6.883000 -10.610000 198 " " H L 2 "HIS " " H " 1 0 0 1 21.53 3019 198 + 3020 41 -16.579000 -6.858000 -7.849000 198 " " H L 2 "HIS " " HA " 1 0 0 1 22.17 3020 198 + 3021 41 -13.746000 -7.767000 -8.534000 198 " " H L 2 "HIS " " HB3" 1 0 0 1 19.12 3021 198 + 3022 41 -14.950000 -8.739000 -7.770000 198 " " H L 2 "HIS " " HB2" 1 0 0 1 19.12 3022 198 + 3023 41 -15.324000 -8.469000 -5.344000 198 " " H L 2 "HIS " " HD2" 1 0 0 1 20.3 3023 198 + 3024 41 -12.548000 -5.612000 -4.327000 198 " " H L 2 "HIS " " HE1" 1 0 0 1 20.82 3024 198 + 3025 43 -14.271000 -7.424000 -3.299000 198 " " H L 2 "HIS " " HE2" 1 0 0 1 25.63 3025 198 + 3026 25 -15.564000 -4.563000 -7.684000 199 " " Q L 2 "GLN " " N " 7 0 0 1 23.95 3026 199 + 3027 3 -15.145000 -3.151000 -7.572000 199 " " Q L 2 "GLN " " CA " 6 0 0 1 26.61 3027 199 + 3028 2 -13.716000 -2.829000 -7.937000 199 " " Q L 2 "GLN " " C " 6 0 0 1 22.8 3028 199 + 3029 15 -13.434000 -1.758000 -8.456000 199 " " Q L 2 "GLN " " O " 8 0 0 1 24.26 3029 199 + 3030 3 -15.222000 -2.746000 -6.111000 199 " " Q L 2 "GLN " " CB " 6 0 0 1 29.82 3030 199 + 3031 3 -16.436000 -2.085000 -5.727000 199 " " Q L 2 "GLN " " CG " 6 0 0 1 35.3 3031 199 + 3032 2 -16.564000 -2.148000 -4.255000 199 " " Q L 2 "GLN " " CD " 6 0 0 1 30.82 3032 199 + 3033 15 -17.277000 -2.999000 -3.746000 199 " " Q L 2 "GLN " " OE1" 8 0 0 1 30.85 3033 199 + 3034 25 -15.847000 -1.266000 -3.544000 199 " " Q L 2 "GLN " " NE2" 7 0 0 1 27.44 3034 199 + 3035 43 -16.154000 -4.883000 -6.929000 199 " " Q L 2 "GLN " " H " 1 0 0 1 23.95 3035 199 + 3036 41 -15.819000 -2.525000 -8.158000 199 " " Q L 2 "GLN " " HA " 1 0 0 1 26.61 3036 199 + 3037 41 -14.372000 -2.108000 -5.868000 199 " " Q L 2 "GLN " " HB3" 1 0 0 1 29.82 3037 199 + 3038 41 -15.077000 -3.626000 -5.485000 199 " " Q L 2 "GLN " " HB2" 1 0 0 1 29.82 3038 199 + 3039 41 -17.285000 -2.590000 -6.187000 199 " " Q L 2 "GLN " " HG3" 1 0 0 1 35.3 3039 199 + 3040 41 -16.398000 -1.043000 -6.044000 199 " " Q L 2 "GLN " " HG2" 1 0 0 1 35.3 3040 199 + 3041 43 -15.900000 -1.268000 -2.535000 199 " " Q L 2 "GLN " "HE22" 1 0 0 1 27.44 3041 199 + 3042 43 -15.254000 -0.599000 -4.017000 199 " " Q L 2 "GLN " "HE21" 1 0 0 1 27.44 3042 199 + 3043 25 -12.813000 -3.728000 -7.573000 200 " " G L 2 "GLY " " N " 7 0 0 1 23.42 3043 200 + 3044 3 -11.383000 -3.523000 -7.763000 200 " " G L 2 "GLY " " CA " 6 0 0 1 24.08 3044 200 + 3045 2 -10.918000 -3.752000 -9.189000 200 " " G L 2 "GLY " " C " 6 0 0 1 23.43 3045 200 + 3046 15 -9.775000 -3.449000 -9.516000 200 " " G L 2 "GLY " " O " 8 0 0 1 25.45 3046 200 + 3047 43 -13.107000 -4.595000 -7.146000 200 " " G L 2 "GLY " " H " 1 0 0 1 23.42 3047 200 + 3048 41 -10.831000 -4.182000 -7.092000 200 " " G L 2 "GLY " " HA3" 1 0 0 1 24.08 3048 200 + 3049 41 -11.119000 -2.512000 -7.454000 200 " " G L 2 "GLY " " HA2" 1 0 0 1 24.08 3049 200 + 3050 25 -11.798000 -4.281000 -10.035000 201 " " L L 2 "LEU " " N " 7 0 0 1 24.2 3050 201 + 3051 3 -11.468000 -4.522000 -11.454000 201 " " L L 2 "LEU " " CA " 6 0 0 1 22.72 3051 201 + 3052 2 -12.098000 -3.445000 -12.333000 201 " " L L 2 "LEU " " C " 6 0 0 1 27.99 3052 201 + 3053 15 -13.248000 -3.070000 -12.104000 201 " " L L 2 "LEU " " O " 8 0 0 1 27.14 3053 201 + 3054 3 -11.968000 -5.905000 -11.891000 201 " " L L 2 "LEU " " CB " 6 0 0 1 22.76 3054 201 + 3055 3 -11.500000 -7.085000 -11.037000 201 " " L L 2 "LEU " " CG " 6 0 0 1 21.5 3055 201 + 3056 3 -12.401000 -8.293000 -11.263000 201 " " L L 2 "LEU " " CD1" 6 0 0 1 25.9 3056 201 + 3057 3 -10.025000 -7.410000 -11.303000 201 " " L L 2 "LEU " " CD2" 6 0 0 1 24.5 3057 201 + 3058 43 -12.722000 -4.530000 -9.712000 201 " " L L 2 "LEU " " H " 1 0 0 1 24.2 3058 201 + 3059 41 -10.385000 -4.485000 -11.574000 201 " " L L 2 "LEU " " HA " 1 0 0 1 22.72 3059 201 + 3060 41 -11.685000 -6.078000 -12.929000 201 " " L L 2 "LEU " " HB3" 1 0 0 1 22.76 3060 201 + 3061 41 -13.057000 -5.898000 -11.929000 201 " " L L 2 "LEU " " HB2" 1 0 0 1 22.76 3061 201 + 3062 41 -11.592000 -6.794000 -9.991000 201 " " L L 2 "LEU " " HG " 1 0 0 1 21.5 3062 201 + 3063 41 -12.056000 -9.125000 -10.649000 201 " " L L 2 "LEU " "HD11" 1 0 0 1 25.9 3063 201 + 3064 41 -13.425000 -8.040000 -10.988000 201 " " L L 2 "LEU " "HD12" 1 0 0 1 25.9 3064 201 + 3065 41 -12.368000 -8.580000 -12.314000 201 " " L L 2 "LEU " "HD13" 1 0 0 1 25.9 3065 201 + 3066 41 -9.720000 -8.253000 -10.682000 201 " " L L 2 "LEU " "HD21" 1 0 0 1 24.5 3066 201 + 3067 41 -9.893000 -7.667000 -12.354000 201 " " L L 2 "LEU " "HD22" 1 0 0 1 24.5 3067 201 + 3068 41 -9.412000 -6.542000 -11.062000 201 " " L L 2 "LEU " "HD23" 1 0 0 1 24.5 3068 201 + 3069 25 -11.339000 -2.954000 -13.320000 202 " " S L 2 "SER " " N " 7 0 0 1 26.56 3069 202 + 3070 3 -11.805000 -1.915000 -14.257000 202 " " S L 2 "SER " " CA " 6 0 0 1 33.23 3070 202 + 3071 2 -12.987000 -2.389000 -15.085000 202 " " S L 2 "SER " " C " 6 0 0 1 33.33 3071 202 + 3072 15 -13.878000 -1.604000 -15.422000 202 " " S L 2 "SER " " O " 8 0 0 1 33.43 3072 202 + 3073 3 -10.685000 -1.502000 -15.214000 202 " " S L 2 "SER " " CB " 6 0 0 1 36.46 3073 202 + 3074 16 -9.720000 -0.697000 -14.568000 202 " " S L 2 "SER " " OG " 8 0 0 1 43.83 3074 202 + 3075 43 -10.397000 -3.295000 -13.450000 202 " " S L 2 "SER " " H " 1 0 0 1 26.56 3075 202 + 3076 41 -12.111000 -1.041000 -13.682000 202 " " S L 2 "SER " " HA " 1 0 0 1 33.23 3076 202 + 3077 41 -11.110000 -0.954000 -16.055000 202 " " S L 2 "SER " " HB3" 1 0 0 1 36.46 3077 202 + 3078 41 -10.204000 -2.394000 -15.615000 202 " " S L 2 "SER " " HB2" 1 0 0 1 36.46 3078 202 + 3079 42 -9.033000 -0.456000 -15.194000 202 " " S L 2 "SER " " HG " 1 0 0 1 43.83 3079 202 + 3080 25 -12.952000 -3.673000 -15.442000 203 " " S L 2 "SER " " N " 7 0 0 1 26.95 3080 203 + 3081 3 -14.039000 -4.357000 -16.134000 203 " " S L 2 "SER " " CA " 6 0 0 1 28.64 3081 203 + 3082 2 -13.951000 -5.847000 -15.770000 203 " " S L 2 "SER " " C " 6 0 0 1 30.68 3082 203 + 3083 15 -12.915000 -6.292000 -15.264000 203 " " S L 2 "SER " " O " 8 0 0 1 28.01 3083 203 + 3084 3 -13.939000 -4.137000 -17.648000 203 " " S L 2 "SER " " CB " 6 0 0 1 31.21 3084 203 + 3085 16 -12.754000 -4.714000 -18.163000 203 " " S L 2 "SER " " OG " 8 0 0 1 34.66 3085 203 + 3086 43 -12.137000 -4.233000 -15.235000 203 " " S L 2 "SER " " H " 1 0 0 1 26.95 3086 203 + 3087 41 -14.991000 -3.961000 -15.780000 203 " " S L 2 "SER " " HA " 1 0 0 1 28.64 3087 203 + 3088 41 -13.944000 -3.068000 -17.861000 203 " " S L 2 "SER " " HB3" 1 0 0 1 31.21 3088 203 + 3089 41 -14.803000 -4.585000 -18.138000 203 " " S L 2 "SER " " HB2" 1 0 0 1 31.21 3089 203 + 3090 42 -12.755000 -5.658000 -17.987000 203 " " S L 2 "SER " " HG " 1 0 0 1 34.66 3090 203 + 3091 25 -15.040000 -6.614000 -15.989000 204 " " P L 2 "PRO " " N " 7 0 0 1 31.92 3091 204 + 3092 3 -15.053000 -8.007000 -15.524000 204 " " P L 2 "PRO " " CA " 6 0 0 1 30.72 3092 204 + 3093 2 -13.956000 -8.871000 -16.143000 204 " " P L 2 "PRO " " C " 6 0 0 1 29.74 3093 204 + 3094 15 -13.607000 -8.698000 -17.308000 204 " " P L 2 "PRO " " O " 8 0 0 1 29.24 3094 204 + 3095 3 -16.442000 -8.504000 -15.932000 204 " " P L 2 "PRO " " CB " 6 0 0 1 33.98 3095 204 + 3096 3 -17.272000 -7.246000 -16.070000 204 " " P L 2 "PRO " " CG " 6 0 0 1 32.83 3096 204 + 3097 3 -16.315000 -6.241000 -16.631000 204 " " P L 2 "PRO " " CD " 6 0 0 1 31.82 3097 204 + 3098 41 -14.964000 -8.029000 -14.438000 204 " " P L 2 "PRO " " HA " 1 0 0 1 30.72 3098 204 + 3099 41 -16.853000 -9.122000 -15.134000 204 " " P L 2 "PRO " " HB3" 1 0 0 1 33.98 3099 204 + 3100 41 -16.378000 -9.002000 -16.899000 204 " " P L 2 "PRO " " HB2" 1 0 0 1 33.98 3100 204 + 3101 41 -17.600000 -6.920000 -15.083000 204 " " P L 2 "PRO " " HG3" 1 0 0 1 32.83 3101 204 + 3102 41 -18.074000 -7.420000 -16.788000 204 " " P L 2 "PRO " " HG2" 1 0 0 1 32.83 3102 204 + 3103 41 -16.231000 -6.387000 -17.708000 204 " " P L 2 "PRO " " HD2" 1 0 0 1 31.82 3103 204 + 3104 41 -16.606000 -5.244000 -16.300000 204 " " P L 2 "PRO " " HD3" 1 0 0 1 31.82 3104 204 + 3105 25 -13.417000 -9.778000 -15.335000 205 " " V L 2 "VAL " " N " 7 0 0 1 24.11 3105 205 + 3106 3 -12.324000 -10.671000 -15.723000 205 " " V L 2 "VAL " " CA " 6 0 0 1 25.26 3106 205 + 3107 2 -12.891000 -12.061000 -16.037000 205 " " V L 2 "VAL " " C " 6 0 0 1 26.41 3107 205 + 3108 15 -13.650000 -12.630000 -15.234000 205 " " V L 2 "VAL " " O " 8 0 0 1 25 3108 205 + 3109 3 -11.270000 -10.784000 -14.586000 205 " " V L 2 "VAL " " CB " 6 0 0 1 27.13 3109 205 + 3110 3 -10.300000 -11.937000 -14.832000 205 " " V L 2 "VAL " " CG1" 6 0 0 1 28.23 3110 205 + 3111 3 -10.505000 -9.468000 -14.413000 205 " " V L 2 "VAL " " CG2" 6 0 0 1 30.85 3111 205 + 3112 43 -13.761000 -9.881000 -14.391000 205 " " V L 2 "VAL " " H " 1 0 0 1 24.11 3112 205 + 3113 41 -11.841000 -10.274000 -16.616000 205 " " V L 2 "VAL " " HA " 1 0 0 1 25.26 3113 205 + 3114 41 -11.801000 -10.987000 -13.656000 205 " " V L 2 "VAL " " HB " 1 0 0 1 27.13 3114 205 + 3115 41 -9.578000 -11.985000 -14.017000 205 " " V L 2 "VAL " "HG11" 1 0 0 1 28.23 3115 205 + 3116 41 -10.854000 -12.874000 -14.882000 205 " " V L 2 "VAL " "HG12" 1 0 0 1 28.23 3116 205 + 3117 41 -9.775000 -11.776000 -15.773000 205 " " V L 2 "VAL " "HG13" 1 0 0 1 28.23 3117 205 + 3118 41 -9.774000 -9.575000 -13.611000 205 " " V L 2 "VAL " "HG21" 1 0 0 1 30.85 3118 205 + 3119 41 -9.991000 -9.221000 -15.342000 205 " " V L 2 "VAL " "HG22" 1 0 0 1 30.85 3119 205 + 3120 41 -11.205000 -8.671000 -14.162000 205 " " V L 2 "VAL " "HG23" 1 0 0 1 30.85 3120 205 + 3121 25 -12.522000 -12.608000 -17.190000 206 " " T L 2 "THR " " N " 7 0 2 1 24.04 3121 206 + 3122 3 -12.955000 -13.962000 -17.557000 206 " " T L 2 "THR " " CA " 6 0 2 1 24.95 3122 206 + 3123 2 -11.762000 -14.895000 -17.597000 206 " " T L 2 "THR " " C " 6 0 2 1 24.44 3123 206 + 3124 15 -10.732000 -14.593000 -18.214000 206 " " T L 2 "THR " " O " 8 0 2 1 23.73 3124 206 + 3125 3 -13.720000 -13.995000 -18.909000 206 " " T L 2 "THR " " CB " 6 0 2 1 27.83 3125 206 + 3126 16 -14.929000 -13.233000 -18.802000 206 " " T L 2 "THR " " OG1" 8 0 2 1 29.07 3126 206 + 3127 3 -14.069000 -15.443000 -19.324000 206 " " T L 2 "THR " " CG2" 6 0 2 1 28.42 3127 206 + 3128 43 -11.935000 -12.091000 -17.829000 206 " " T L 2 "THR " " H " 1 0 2 1 24.04 3128 206 + 3129 41 -13.632000 -14.318000 -16.781000 206 " " T L 2 "THR " " HA " 1 0 2 1 24.95 3129 206 + 3130 41 -13.091000 -13.550000 -19.680000 206 " " T L 2 "THR " " HB " 1 0 2 1 27.83 3130 206 + 3131 42 -14.716000 -12.324000 -18.580000 206 " " T L 2 "THR " " HG1" 1 0 2 1 29.07 3131 206 + 3132 41 -14.604000 -15.430000 -20.274000 206 " " T L 2 "THR " "HG21" 1 0 2 1 28.42 3132 206 + 3133 41 -13.152000 -16.022000 -19.432000 206 " " T L 2 "THR " "HG22" 1 0 2 1 28.42 3133 206 + 3134 41 -14.698000 -15.899000 -18.560000 206 " " T L 2 "THR " "HG23" 1 0 2 1 28.42 3134 206 + 3135 25 -11.888000 -16.024000 -16.915000 207 " " K L 2 "LYS " " N " 7 0 2 1 21.16 3135 207 + 3136 3 -10.911000 -17.095000 -17.052000 207 " " K L 2 "LYS " " CA " 6 0 2 1 21.99 3136 207 + 3137 2 -11.647000 -18.240000 -17.706000 207 " " K L 2 "LYS " " C " 6 0 2 1 20.51 3137 207 + 3138 15 -12.763000 -18.558000 -17.320000 207 " " K L 2 "LYS " " O " 8 0 2 1 19.33 3138 207 + 3139 3 -10.354000 -17.520000 -15.689000 207 " " K L 2 "LYS " " CB " 6 0 2 1 21.34 3139 207 + 3140 3 -9.587000 -16.427000 -14.950000 207 " " K L 2 "LYS " " CG " 6 0 2 1 21.71 3140 207 + 3141 3 -8.363000 -15.964000 -15.738000 207 " " K L 2 "LYS " " CD " 6 0 2 1 25.86 3141 207 + 3142 3 -7.754000 -14.697000 -15.119000 207 " " K L 2 "LYS " " CE " 6 0 2 1 33.15 3142 207 + 3143 32 -6.573000 -14.184000 -15.898000 207 " " K L 2 "LYS " " NZ " 7 1 2 1 35.3 3143 207 + 3144 43 -12.670000 -16.151000 -16.289000 207 " " K L 2 "LYS " " H " 1 0 2 1 21.16 3144 207 + 3145 41 -10.095000 -16.767000 -17.696000 207 " " K L 2 "LYS " " HA " 1 0 2 1 21.99 3145 207 + 3146 41 -9.709000 -18.389000 -15.818000 207 " " K L 2 "LYS " " HB3" 1 0 2 1 21.34 3146 207 + 3147 41 -11.170000 -17.876000 -15.061000 207 " " K L 2 "LYS " " HB2" 1 0 2 1 21.34 3147 207 + 3148 41 -9.271000 -16.801000 -13.976000 207 " " K L 2 "LYS " " HG3" 1 0 2 1 21.71 3148 207 + 3149 41 -10.247000 -15.578000 -14.773000 207 " " K L 2 "LYS " " HG2" 1 0 2 1 21.71 3149 207 + 3150 41 -8.651000 -15.762000 -16.770000 207 " " K L 2 "LYS " " HD3" 1 0 2 1 25.86 3150 207 + 3151 41 -7.616000 -16.758000 -15.748000 207 " " K L 2 "LYS " " HD2" 1 0 2 1 25.86 3151 207 + 3152 41 -7.449000 -14.905000 -14.094000 207 " " K L 2 "LYS " " HE3" 1 0 2 1 33.15 3152 207 + 3153 41 -8.516000 -13.919000 -15.062000 207 " " K L 2 "LYS " " HE2" 1 0 2 1 33.15 3153 207 + 3154 44 -5.767000 -14.763000 -15.709000 207 " " K L 2 "LYS " " HZ1" 1 0 2 1 35.3 3154 207 + 3155 44 -6.783000 -14.212000 -16.886000 207 " " K L 2 "LYS " " HZ2" 1 0 2 1 35.3 3155 207 + 3156 44 -6.375000 -13.233000 -15.623000 207 " " K L 2 "LYS " " HZ3" 1 0 2 1 35.3 3156 207 + 3157 25 -11.047000 -18.842000 -18.716000 208 " " S L 2 "SER " " N " 7 0 2 1 18.14 3157 208 + 3158 3 -11.726000 -19.930000 -19.410000 208 " " S L 2 "SER " " CA " 6 0 2 1 20.25 3158 208 + 3159 2 -10.761000 -21.016000 -19.874000 208 " " S L 2 "SER " " C " 6 0 2 1 22.18 3159 208 + 3160 15 -9.542000 -20.814000 -19.899000 208 " " S L 2 "SER " " O " 8 0 2 1 22.96 3160 208 + 3161 3 -12.548000 -19.399000 -20.590000 208 " " S L 2 "SER " " CB " 6 0 2 1 22.92 3161 208 + 3162 16 -11.718000 -18.815000 -21.576000 208 " " S L 2 "SER " " OG " 8 0 2 1 25.81 3162 208 + 3163 43 -10.124000 -18.548000 -19.003000 208 " " S L 2 "SER " " H " 1 0 2 1 18.14 3163 208 + 3164 41 -12.420000 -20.387000 -18.705000 208 " " S L 2 "SER " " HA " 1 0 2 1 20.25 3164 208 + 3165 41 -13.261000 -18.657000 -20.231000 208 " " S L 2 "SER " " HB3" 1 0 2 1 22.92 3165 208 + 3166 41 -13.117000 -20.216000 -21.033000 208 " " S L 2 "SER " " HB2" 1 0 2 1 22.92 3166 208 + 3167 42 -11.101000 -19.472000 -21.906000 208 " " S L 2 "SER " " HG " 1 0 2 1 25.81 3167 208 + 3168 25 -11.323000 -22.166000 -20.240000 209 " " F L 2 "PHE " " N " 7 0 2 1 20.88 3168 209 + 3169 3 -10.557000 -23.228000 -20.893000 209 " " F L 2 "PHE " " CA " 6 0 2 1 23.45 3169 209 + 3170 2 -11.442000 -23.902000 -21.917000 209 " " F L 2 "PHE " " C " 6 0 2 1 25.29 3170 209 + 3171 15 -12.670000 -23.794000 -21.845000 209 " " F L 2 "PHE " " O " 8 0 2 1 25.75 3171 209 + 3172 3 -9.997000 -24.253000 -19.872000 209 " " F L 2 "PHE " " CB " 6 0 2 1 20.56 3172 209 + 3173 2 -11.058000 -25.020000 -19.113000 209 " " F L 2 "PHE " " CG " 6 0 2 1 22.8 3173 209 + 3174 2 -11.535000 -24.545000 -17.891000 209 " " F L 2 "PHE " " CD1" 6 0 2 1 22.2 3174 209 + 3175 2 -11.571000 -26.220000 -19.617000 209 " " F L 2 "PHE " " CD2" 6 0 2 1 21.74 3175 209 + 3176 2 -12.523000 -25.256000 -17.176000 209 " " F L 2 "PHE " " CE1" 6 0 2 1 22.8 3176 209 + 3177 2 -12.540000 -26.936000 -18.927000 209 " " F L 2 "PHE " " CE2" 6 0 2 1 22.62 3177 209 + 3178 2 -13.023000 -26.467000 -17.705000 209 " " F L 2 "PHE " " CZ " 6 0 2 1 22.02 3178 209 + 3179 43 -12.306000 -22.325000 -20.069000 209 " " F L 2 "PHE " " H " 1 0 2 1 20.88 3179 209 + 3180 41 -9.716000 -22.771000 -21.415000 209 " " F L 2 "PHE " " HA " 1 0 2 1 23.45 3180 209 + 3181 41 -9.347000 -23.739000 -19.164000 209 " " F L 2 "PHE " " HB3" 1 0 2 1 20.56 3181 209 + 3182 41 -9.343000 -24.956000 -20.388000 209 " " F L 2 "PHE " " HB2" 1 0 2 1 20.56 3182 209 + 3183 41 -11.148000 -23.623000 -17.482000 209 " " F L 2 "PHE " " HD1" 1 0 2 1 22.2 3183 209 + 3184 41 -11.214000 -26.606000 -20.560000 209 " " F L 2 "PHE " " HD2" 1 0 2 1 21.74 3184 209 + 3185 41 -12.889000 -24.873000 -16.235000 209 " " F L 2 "PHE " " HE1" 1 0 2 1 22.8 3185 209 + 3186 41 -12.923000 -27.859000 -19.336000 209 " " F L 2 "PHE " " HE2" 1 0 2 1 22.62 3186 209 + 3187 41 -13.774000 -27.023000 -17.164000 209 " " F L 2 "PHE " " HZ " 1 0 2 1 22.02 3187 209 + 3188 25 -10.820000 -24.572000 -22.884000 210 " " N L 2 "ASN " " N " 7 0 2 1 24.5 3188 210 + 3189 3 -11.537000 -25.426000 -23.830000 210 " " N L 2 "ASN " " CA " 6 0 2 1 26.18 3189 210 + 3190 2 -11.343000 -26.868000 -23.408000 210 " " N L 2 "ASN " " C " 6 0 2 1 25.05 3190 210 + 3191 15 -10.211000 -27.321000 -23.287000 210 " " N L 2 "ASN " " O " 8 0 2 1 27.52 3191 210 + 3192 3 -10.988000 -25.260000 -25.250000 210 " " N L 2 "ASN " " CB " 6 0 2 1 28.63 3192 210 + 3193 2 -11.201000 -23.870000 -25.818000 210 " " N L 2 "ASN " " CG " 6 0 2 1 32.12 3193 210 + 3194 15 -10.455000 -23.438000 -26.690000 210 " " N L 2 "ASN " " OD1" 8 0 2 1 36.19 3194 210 + 3195 25 -12.222000 -23.169000 -25.339000 210 " " N L 2 "ASN " " ND2" 7 0 2 1 34.15 3195 210 + 3196 43 -9.817000 -24.500000 -22.984000 210 " " N L 2 "ASN " " H " 1 0 2 1 24.5 3196 210 + 3197 41 -12.599000 -25.179000 -23.816000 210 " " N L 2 "ASN " " HA " 1 0 2 1 26.18 3197 210 + 3198 41 -11.454000 -25.995000 -25.906000 210 " " N L 2 "ASN " " HB3" 1 0 2 1 28.63 3198 210 + 3199 41 -9.923000 -25.494000 -25.256000 210 " " N L 2 "ASN " " HB2" 1 0 2 1 28.63 3199 210 + 3200 43 -12.403000 -22.238000 -25.687000 210 " " N L 2 "ASN " "HD22" 1 0 2 1 34.15 3200 210 + 3201 43 -12.817000 -23.566000 -24.627000 210 " " N L 2 "ASN " "HD21" 1 0 2 1 34.15 3201 210 + 3202 25 -12.439000 -27.577000 -23.161000 211 " " R L 2 "ARG " " N " 7 0 0 1 25.98 3202 211 + 3203 3 -12.379000 -28.977000 -22.752000 211 " " R L 2 "ARG " " CA " 6 0 0 1 27.71 3203 211 + 3204 2 -11.606000 -29.756000 -23.821000 211 " " R L 2 "ARG " " C " 6 0 0 1 32.62 3204 211 + 3205 15 -11.935000 -29.674000 -24.999000 211 " " R L 2 "ARG " " O " 8 0 0 1 28.86 3205 211 + 3206 3 -13.797000 -29.539000 -22.582000 211 " " R L 2 "ARG " " CB " 6 0 0 1 27.31 3206 211 + 3207 3 -13.860000 -31.043000 -22.317000 211 " " R L 2 "ARG " " CG " 6 0 0 1 28.66 3207 211 + 3208 3 -15.291000 -31.591000 -22.425000 211 " " R L 2 "ARG " " CD " 6 0 0 1 28.05 3208 211 + 3209 25 -15.899000 -31.300000 -23.723000 211 " " R L 2 "ARG " " NE " 7 0 0 1 28.32 3209 211 + 3210 2 -15.652000 -31.964000 -24.845000 211 " " R L 2 "ARG " " CZ " 6 0 0 1 30.65 3210 211 + 3211 25 -14.813000 -32.993000 -24.854000 211 " " R L 2 "ARG " " NH1" 7 0 0 1 30.69 3211 211 + 3212 31 -16.256000 -31.599000 -25.966000 211 " " R L 2 "ARG " " NH2" 7 1 0 1 32.91 3212 211 + 3213 43 -13.349000 -27.149000 -23.254000 211 " " R L 2 "ARG " " H " 1 0 0 1 25.98 3213 211 + 3214 41 -11.849000 -29.050000 -21.802000 211 " " R L 2 "ARG " " HA " 1 0 0 1 27.71 3214 211 + 3215 41 -14.387000 -29.304000 -23.468000 211 " " R L 2 "ARG " " HB3" 1 0 0 1 27.31 3215 211 + 3216 41 -14.301000 -29.009000 -21.774000 211 " " R L 2 "ARG " " HB2" 1 0 0 1 27.31 3216 211 + 3217 41 -13.466000 -31.253000 -21.323000 211 " " R L 2 "ARG " " HG3" 1 0 0 1 28.66 3217 211 + 3218 41 -13.218000 -31.563000 -23.028000 211 " " R L 2 "ARG " " HG2" 1 0 0 1 28.66 3218 211 + 3219 41 -15.904000 -31.161000 -21.633000 211 " " R L 2 "ARG " " HD3" 1 0 0 1 28.05 3219 211 + 3220 41 -15.279000 -32.669000 -22.264000 211 " " R L 2 "ARG " " HD2" 1 0 0 1 28.05 3220 211 + 3221 43 -16.551000 -30.528000 -23.726000 211 " " R L 2 "ARG " " HE " 1 0 0 1 28.32 3221 211 + 3222 43 -14.633000 -33.490000 -25.714000 211 " " R L 2 "ARG " "HH12" 1 0 0 1 30.69 3222 211 + 3223 43 -14.355000 -33.278000 -24.000000 211 " " R L 2 "ARG " "HH11" 1 0 0 1 30.69 3223 211 + 3224 44 -16.073000 -32.099000 -26.824000 211 " " R L 2 "ARG " "HH22" 1 0 0 1 32.91 3224 211 + 3225 44 -16.899000 -30.820000 -25.963000 211 " " R L 2 "ARG " "HH21" 1 0 0 1 32.91 3225 211 + 3226 25 -10.574000 -30.483000 -23.398000 212 " " G L 2 "GLY " " N " 7 0 0 1 38.14 3226 212 + 3227 3 -9.690000 -31.194000 -24.321000 212 " " G L 2 "GLY " " CA " 6 0 0 1 42.86 3227 212 + 3228 2 -8.288000 -30.606000 -24.364000 212 " " G L 2 "GLY " " C " 6 0 0 1 48.18 3228 212 + 3229 15 -8.072000 -29.504000 -24.879000 212 " " G L 2 "GLY " " O " 8 0 0 1 49.34 3229 212 + 3230 43 -10.380000 -30.557000 -22.410000 212 " " G L 2 "GLY " " H " 1 0 0 1 38.14 3230 212 + 3231 41 -10.121000 -31.176000 -25.322000 212 " " G L 2 "GLY " " HA3" 1 0 0 1 42.86 3231 212 + 3232 41 -9.634000 -32.244000 -24.033000 212 " " G L 2 "GLY " " HA2" 1 0 0 1 42.86 3232 212 + 3233 41 -7.474000 -31.170000 -23.934000 212 " " G L 2 "GLY " " HXT" 1 0 0 1 48.18 3233 212 + 3234 32 4.473000 -26.487000 28.462000 1 " " Q H 2 "GLN " " N " 7 1 0 1 30.82 3234 1 + 3235 3 3.411000 -25.966000 27.554000 1 " " Q H 2 "GLN " " CA " 6 0 0 1 28.43 3235 1 + 3236 2 2.103000 -26.665000 27.873000 1 " " Q H 2 "GLN " " C " 6 0 0 1 26.14 3236 1 + 3237 15 1.942000 -27.863000 27.621000 1 " " Q H 2 "GLN " " O " 8 0 0 1 25.12 3237 1 + 3238 3 3.801000 -26.150000 26.077000 1 " " Q H 2 "GLN " " CB " 6 0 0 1 31.31 3238 1 + 3239 3 4.675000 -27.377000 25.801000 1 " " Q H 2 "GLN " " CG " 6 0 0 1 34.62 3239 1 + 3240 2 5.866000 -27.474000 26.753000 1 " " Q H 2 "GLN " " CD " 6 0 0 1 42.35 3240 1 + 3241 15 6.674000 -26.421000 26.800000 1 " " Q H 2 "GLN " " OE1" 8 0 0 1 39.64 3241 1 + 3242 25 6.045000 -28.470000 27.447000 1 " " Q H 2 "GLN " " NE2" 7 0 0 1 50.05 3242 1 + 3243 44 5.348000 -26.027000 28.256000 1 " " Q H 2 "GLN " " H1 " 1 0 0 1 30.82 3243 1 + 3244 44 4.215000 -26.306000 29.422000 1 " " Q H 2 "GLN " " H2 " 1 0 0 1 30.82 3244 1 + 3245 44 4.576000 -27.482000 28.324000 1 " " Q H 2 "GLN " " H3 " 1 0 0 1 30.82 3245 1 + 3246 41 3.287000 -24.900000 27.746000 1 " " Q H 2 "GLN " " HA " 1 0 0 1 28.43 3246 1 + 3247 41 4.314000 -25.255000 25.725000 1 " " Q H 2 "GLN " " HB3" 1 0 0 1 31.31 3247 1 + 3248 41 2.898000 -26.206000 25.469000 1 " " Q H 2 "GLN " " HB2" 1 0 0 1 31.31 3248 1 + 3249 41 5.035000 -27.342000 24.773000 1 " " Q H 2 "GLN " " HG3" 1 0 0 1 34.62 3249 1 + 3250 41 4.070000 -28.279000 25.885000 1 " " Q H 2 "GLN " " HG2" 1 0 0 1 34.62 3250 1 + 3251 43 6.838000 -28.515000 28.070000 1 " " Q H 2 "GLN " "HE22" 1 0 0 1 50.05 3251 1 + 3252 43 5.399000 -29.245000 27.395000 1 " " Q H 2 "GLN " "HE21" 1 0 0 1 50.05 3252 1 + 3253 25 1.173000 -25.916000 28.453000 2 " " V H 2 "VAL " " N " 7 0 0 1 26.56 3253 2 + 3254 3 -0.108000 -26.496000 28.839000 2 " " V H 2 "VAL " " CA " 6 0 0 1 23.25 3254 2 + 3255 2 -0.883000 -26.793000 27.573000 2 " " V H 2 "VAL " " C " 6 0 0 1 23.02 3255 2 + 3256 15 -0.966000 -25.938000 26.686000 2 " " V H 2 "VAL " " O " 8 0 0 1 22.91 3256 2 + 3257 3 -0.915000 -25.560000 29.760000 2 " " V H 2 "VAL " " CB " 6 0 0 1 25.24 3257 2 + 3258 3 -2.282000 -26.175000 30.083000 2 " " V H 2 "VAL " " CG1" 6 0 0 1 27.27 3258 2 + 3259 3 -0.128000 -25.271000 31.046000 2 " " V H 2 "VAL " " CG2" 6 0 0 1 20.75 3259 2 + 3260 43 1.350000 -24.938000 28.630000 2 " " V H 2 "VAL " " H " 1 0 0 1 26.56 3260 2 + 3261 41 0.076000 -27.433000 29.365000 2 " " V H 2 "VAL " " HA " 1 0 0 1 23.25 3261 2 + 3262 41 -1.077000 -24.618000 29.236000 2 " " V H 2 "VAL " " HB " 1 0 0 1 25.24 3262 2 + 3263 41 -2.839000 -25.502000 30.734000 2 " " V H 2 "VAL " "HG11" 1 0 0 1 27.27 3263 2 + 3264 41 -2.839000 -26.330000 29.159000 2 " " V H 2 "VAL " "HG12" 1 0 0 1 27.27 3264 2 + 3265 41 -2.141000 -27.132000 30.586000 2 " " V H 2 "VAL " "HG13" 1 0 0 1 27.27 3265 2 + 3266 41 -0.710000 -24.609000 31.687000 2 " " V H 2 "VAL " "HG21" 1 0 0 1 20.75 3266 2 + 3267 41 0.067000 -26.206000 31.571000 2 " " V H 2 "VAL " "HG22" 1 0 0 1 20.75 3267 2 + 3268 41 0.818000 -24.793000 30.794000 2 " " V H 2 "VAL " "HG23" 1 0 0 1 20.75 3268 2 + 3269 25 -1.431000 -28.003000 27.492000 3 " " Q H 2 "GLN " " N " 7 0 2 1 22.55 3269 3 + 3270 3 -2.303000 -28.386000 26.385000 3 " " Q H 2 "GLN " " CA " 6 0 2 1 29.16 3270 3 + 3271 2 -3.463000 -29.277000 26.845000 3 " " Q H 2 "GLN " " C " 6 0 2 1 25.05 3271 3 + 3272 15 -3.275000 -30.214000 27.637000 3 " " Q H 2 "GLN " " O " 8 0 2 1 24.54 3272 3 + 3273 3 -1.487000 -29.086000 25.285000 3 " " Q H 2 "GLN " " CB " 6 0 2 1 31.73 3273 3 + 3274 3 -2.294000 -29.453000 24.042000 3 " " Q H 2 "GLN " " CG " 6 0 2 1 40.71 3274 3 + 3275 2 -1.426000 -29.852000 22.855000 3 " " Q H 2 "GLN " " CD " 6 0 2 1 44.35 3275 3 + 3276 15 -2.068000 -30.042000 21.704000 3 " " Q H 2 "GLN " " OE1" 8 0 2 1 46.51 3276 3 + 3277 25 -0.200000 -29.991000 22.967000 3 " " Q H 2 "GLN " " NE2" 7 0 2 1 50.5 3277 3 + 3278 43 -1.248000 -28.689000 28.210000 3 " " Q H 2 "GLN " " H " 1 0 2 1 22.55 3278 3 + 3279 41 -2.727000 -27.476000 25.961000 3 " " Q H 2 "GLN " " HA " 1 0 2 1 29.16 3279 3 + 3280 41 -1.025000 -29.985000 25.694000 3 " " Q H 2 "GLN " " HB3" 1 0 2 1 31.73 3280 3 + 3281 41 -0.649000 -28.451000 24.997000 3 " " Q H 2 "GLN " " HB2" 1 0 2 1 31.73 3281 3 + 3282 41 -2.928000 -28.612000 23.760000 3 " " Q H 2 "GLN " " HG3" 1 0 2 1 40.71 3282 3 + 3283 41 -2.977000 -30.268000 24.281000 3 " " Q H 2 "GLN " " HG2" 1 0 2 1 40.71 3283 3 + 3284 43 0.354000 -30.256000 22.165000 3 " " Q H 2 "GLN " "HE22" 1 0 2 1 50.5 3284 3 + 3285 43 0.246000 -29.839000 23.860000 3 " " Q H 2 "GLN " "HE21" 1 0 2 1 50.5 3285 3 + 3286 25 -4.655000 -28.974000 26.329000 4 " " L H 2 "LEU " " N " 7 0 2 1 22.01 3286 4 + 3287 3 -5.837000 -29.823000 26.497000 4 " " L H 2 "LEU " " CA " 6 0 2 1 21.26 3287 4 + 3288 2 -6.192000 -30.352000 25.116000 4 " " L H 2 "LEU " " C " 6 0 2 1 20.29 3288 4 + 3289 15 -6.499000 -29.574000 24.201000 4 " " L H 2 "LEU " " O " 8 0 2 1 23.28 3289 4 + 3290 3 -7.007000 -29.023000 27.089000 4 " " L H 2 "LEU " " CB " 6 0 2 1 22.24 3290 4 + 3291 3 -6.769000 -28.436000 28.495000 4 " " L H 2 "LEU " " CG " 6 0 2 1 25.53 3291 4 + 3292 3 -7.977000 -27.617000 28.936000 4 " " L H 2 "LEU " " CD1" 6 0 2 1 24.75 3292 4 + 3293 3 -6.430000 -29.511000 29.521000 4 " " L H 2 "LEU " " CD2" 6 0 2 1 28.14 3293 4 + 3294 43 -4.773000 -28.125000 25.794000 4 " " L H 2 "LEU " " H " 1 0 2 1 22.01 3294 4 + 3295 41 -5.596000 -30.657000 27.156000 4 " " L H 2 "LEU " " HA " 1 0 2 1 21.26 3295 4 + 3296 41 -7.899000 -29.649000 27.107000 4 " " L H 2 "LEU " " HB3" 1 0 2 1 22.24 3296 4 + 3297 41 -7.276000 -28.219000 26.404000 4 " " L H 2 "LEU " " HB2" 1 0 2 1 22.24 3297 4 + 3298 41 -5.917000 -27.760000 28.431000 4 " " L H 2 "LEU " " HG " 1 0 2 1 25.53 3298 4 + 3299 41 -7.796000 -27.208000 29.930000 4 " " L H 2 "LEU " "HD11" 1 0 2 1 24.75 3299 4 + 3300 41 -8.140000 -26.801000 28.232000 4 " " L H 2 "LEU " "HD12" 1 0 2 1 24.75 3300 4 + 3301 41 -8.860000 -28.256000 28.961000 4 " " L H 2 "LEU " "HD13" 1 0 2 1 24.75 3301 4 + 3302 41 -6.271000 -29.048000 30.495000 4 " " L H 2 "LEU " "HD21" 1 0 2 1 28.14 3302 4 + 3303 41 -7.253000 -30.223000 29.588000 4 " " L H 2 "LEU " "HD22" 1 0 2 1 28.14 3303 4 + 3304 41 -5.523000 -30.033000 29.215000 4 " " L H 2 "LEU " "HD23" 1 0 2 1 28.14 3304 4 + 3305 25 -6.088000 -31.669000 24.964000 5 " " Q H 2 "GLN " " N " 7 0 2 1 22.47 3305 5 + 3306 3 -6.321000 -32.337000 23.693000 5 " " Q H 2 "GLN " " CA " 6 0 2 1 22.05 3306 5 + 3307 2 -7.637000 -33.103000 23.731000 5 " " Q H 2 "GLN " " C " 6 0 2 1 22.17 3307 5 + 3308 15 -7.777000 -34.067000 24.478000 5 " " Q H 2 "GLN " " O " 8 0 2 1 23.42 3308 5 + 3309 3 -5.153000 -33.281000 23.357000 5 " " Q H 2 "GLN " " CB " 6 0 2 1 19.82 3309 5 + 3310 3 -5.333000 -34.086000 22.058000 5 " " Q H 2 "GLN " " CG " 6 0 2 1 33.44 3310 5 + 3311 2 -5.342000 -33.225000 20.784000 5 " " Q H 2 "GLN " " CD " 6 0 2 1 37.37 3311 5 + 3312 15 -6.181000 -33.605000 19.829000 5 " " Q H 2 "GLN " " OE1" 8 0 2 1 39.22 3312 5 + 3313 25 -4.600000 -32.248000 20.660000 5 " " Q H 2 "GLN " " NE2" 7 0 2 1 37.98 3313 5 + 3314 43 -5.838000 -32.250000 25.751000 5 " " Q H 2 "GLN " " H " 1 0 2 1 22.47 3314 5 + 3315 41 -6.386000 -31.579000 22.913000 5 " " Q H 2 "GLN " " HA " 1 0 2 1 22.05 3315 5 + 3316 41 -4.994000 -33.968000 24.188000 5 " " Q H 2 "GLN " " HB3" 1 0 2 1 19.82 3316 5 + 3317 41 -4.229000 -32.706000 23.300000 5 " " Q H 2 "GLN " " HB2" 1 0 2 1 19.82 3317 5 + 3318 41 -6.258000 -34.659000 22.113000 5 " " Q H 2 "GLN " " HG3" 1 0 2 1 33.44 3318 5 + 3319 41 -4.543000 -34.833000 21.984000 5 " " Q H 2 "GLN " " HG2" 1 0 2 1 33.44 3319 5 + 3320 43 -4.625000 -31.699000 19.813000 5 " " Q H 2 "GLN " "HE22" 1 0 2 1 37.98 3320 5 + 3321 43 -3.967000 -31.997000 21.406000 5 " " Q H 2 "GLN " "HE21" 1 0 2 1 37.98 3321 5 + 3322 25 -8.599000 -32.673000 22.916000 6 " " Q H 2 "GLN " " N " 7 0 2 1 19.3 3322 6 + 3323 3 -9.906000 -33.340000 22.868000 6 " " Q H 2 "GLN " " CA " 6 0 2 1 18.98 3323 6 + 3324 2 -9.990000 -34.430000 21.799000 6 " " Q H 2 "GLN " " C " 6 0 2 1 20.03 3324 6 + 3325 15 -9.234000 -34.423000 20.811000 6 " " Q H 2 "GLN " " O " 8 0 2 1 20.55 3325 6 + 3326 3 -11.032000 -32.301000 22.686000 6 " " Q H 2 "GLN " " CB " 6 0 2 1 19.86 3326 6 + 3327 3 -11.092000 -31.301000 23.857000 6 " " Q H 2 "GLN " " CG " 6 0 2 1 18.7 3327 6 + 3328 2 -12.242000 -30.326000 23.744000 6 " " Q H 2 "GLN " " CD " 6 0 2 1 20.71 3328 6 + 3329 15 -12.045000 -29.129000 23.901000 6 " " Q H 2 "GLN " " OE1" 8 0 2 1 20.98 3329 6 + 3330 25 -13.455000 -30.836000 23.497000 6 " " Q H 2 "GLN " " NE2" 7 0 2 1 21.67 3330 6 + 3331 43 -8.435000 -31.876000 22.318000 6 " " Q H 2 "GLN " " H " 1 0 2 1 19.3 3331 6 + 3332 41 -10.061000 -33.820000 23.834000 6 " " Q H 2 "GLN " " HA " 1 0 2 1 18.98 3332 6 + 3333 41 -11.989000 -32.815000 22.599000 6 " " Q H 2 "GLN " " HB3" 1 0 2 1 19.86 3333 6 + 3334 41 -10.877000 -31.758000 21.753000 6 " " Q H 2 "GLN " " HB2" 1 0 2 1 19.86 3334 6 + 3335 41 -10.153000 -30.749000 23.910000 6 " " Q H 2 "GLN " " HG3" 1 0 2 1 18.7 3335 6 + 3336 41 -11.172000 -31.848000 24.796000 6 " " Q H 2 "GLN " " HG2" 1 0 2 1 18.7 3336 6 + 3337 43 -14.253000 -30.223000 23.413000 6 " " Q H 2 "GLN " "HE22" 1 0 2 1 21.67 3337 6 + 3338 43 -13.572000 -31.834000 23.394000 6 " " Q H 2 "GLN " "HE21" 1 0 2 1 21.67 3338 6 + 3339 25 -10.913000 -35.369000 22.011000 7 " " S H 2 "SER " " N " 7 0 0 1 19.11 3339 7 + 3340 3 -11.215000 -36.404000 21.024000 7 " " S H 2 "SER " " CA " 6 0 0 1 19.69 3340 7 + 3341 2 -11.897000 -35.803000 19.798000 7 " " S H 2 "SER " " C " 6 0 0 1 23.46 3341 7 + 3342 15 -12.379000 -34.663000 19.841000 7 " " S H 2 "SER " " O " 8 0 0 1 20.34 3342 7 + 3343 3 -12.083000 -37.498000 21.651000 7 " " S H 2 "SER " " CB " 6 0 0 1 18.84 3343 7 + 3344 16 -13.192000 -36.922000 22.319000 7 " " S H 2 "SER " " OG " 8 0 0 1 20.09 3344 7 + 3345 43 -11.431000 -35.381000 22.878000 7 " " S H 2 "SER " " H " 1 0 0 1 19.11 3345 7 + 3346 41 -10.276000 -36.855000 20.705000 7 " " S H 2 "SER " " HA " 1 0 0 1 19.69 3346 7 + 3347 41 -11.488000 -38.070000 22.363000 7 " " S H 2 "SER " " HB3" 1 0 0 1 18.84 3347 7 + 3348 41 -12.439000 -38.171000 20.871000 7 " " S H 2 "SER " " HB2" 1 0 0 1 18.84 3348 7 + 3349 42 -13.721000 -36.424000 21.691000 7 " " S H 2 "SER " " HG " 1 0 0 1 20.09 3349 7 + 3350 25 -11.909000 -36.571000 18.709000 8 " " G H 2 "GLY " " N " 7 0 0 1 21.58 3350 8 + 3351 3 -12.349000 -36.087000 17.407000 8 " " G H 2 "GLY " " CA " 6 0 0 1 21.68 3351 8 + 3352 2 -13.854000 -35.923000 17.275000 8 " " G H 2 "GLY " " C " 6 0 0 1 19.87 3352 8 + 3353 15 -14.615000 -36.281000 18.194000 8 " " G H 2 "GLY " " O " 8 0 0 1 19.93 3353 8 + 3354 43 -11.604000 -37.532000 18.766000 8 " " G H 2 "GLY " " H " 1 0 0 1 21.58 3354 8 + 3355 41 -11.990000 -36.762000 16.630000 8 " " G H 2 "GLY " " HA3" 1 0 0 1 21.68 3355 8 + 3356 41 -11.862000 -35.136000 17.192000 8 " " G H 2 "GLY " " HA2" 1 0 0 1 21.68 3356 8 + 3357 25 -14.299000 -35.388000 16.122000 9 " " P H 2 "PRO " " N " 7 0 0 1 16.63 3357 9 + 3358 3 -15.730000 -35.138000 15.896000 9 " " P H 2 "PRO " " CA " 6 0 0 1 16.83 3358 9 + 3359 2 -16.539000 -36.437000 15.933000 9 " " P H 2 "PRO " " C " 6 0 0 1 16.3 3359 9 + 3360 15 -15.997000 -37.515000 15.663000 9 " " P H 2 "PRO " " O " 8 0 0 1 18.87 3360 9 + 3361 3 -15.781000 -34.540000 14.488000 9 " " P H 2 "PRO " " CB " 6 0 0 1 20.09 3361 9 + 3362 3 -14.483000 -34.932000 13.831000 9 " " P H 2 "PRO " " CG " 6 0 0 1 20.36 3362 9 + 3363 3 -13.472000 -34.982000 14.969000 9 " " P H 2 "PRO " " CD " 6 0 0 1 19.32 3363 9 + 3364 41 -16.114000 -34.427000 16.628000 9 " " P H 2 "PRO " " HA " 1 0 0 1 16.83 3364 9 + 3365 41 -15.838000 -33.454000 14.558000 9 " " P H 2 "PRO " " HB3" 1 0 0 1 20.09 3365 9 + 3366 41 -16.613000 -34.980000 13.938000 9 " " P H 2 "PRO " " HB2" 1 0 0 1 20.09 3366 9 + 3367 41 -14.190000 -34.159000 13.121000 9 " " P H 2 "PRO " " HG3" 1 0 0 1 20.36 3367 9 + 3368 41 -14.585000 -35.926000 13.394000 9 " " P H 2 "PRO " " HG2" 1 0 0 1 20.36 3368 9 + 3369 41 -12.737000 -35.760000 14.763000 9 " " P H 2 "PRO " " HD2" 1 0 0 1 19.32 3369 9 + 3370 41 -13.078000 -33.981000 15.144000 9 " " P H 2 "PRO " " HD3" 1 0 0 1 19.32 3370 9 + 3371 25 -17.822000 -36.327000 16.275000 10 " " E H 2 "GLU " " N " 7 0 0 1 16.81 3371 10 + 3372 3 -18.677000 -37.498000 16.461000 10 " " E H 2 "GLU " " CA " 6 0 0 1 18.55 3372 10 + 3373 2 -19.961000 -37.302000 15.702000 10 " " E H 2 "GLU " " C " 6 0 0 1 16.97 3373 10 + 3374 15 -20.523000 -36.206000 15.717000 10 " " E H 2 "GLU " " O " 8 0 0 1 21.53 3374 10 + 3375 3 -19.048000 -37.660000 17.937000 10 " " E H 2 "GLU " " CB " 6 0 0 1 26.02 3375 10 + 3376 3 -17.879000 -37.755000 18.907000 10 " " E H 2 "GLU " " CG " 6 0 0 1 30.05 3376 10 + 3377 2 -17.479000 -39.188000 19.208000 10 " " E H 2 "GLU " " CD " 6 0 0 1 35.26 3377 10 + 3378 15 -18.079000 -40.116000 18.622000 10 " " E H 2 "GLU " " OE1" 8 0 0 1 35.81 3378 10 + 3379 18 -16.577000 -39.388000 20.049000 10 " " E H 2 "GLU " " OE2" 8 -1 0 1 35.09 3379 10 + 3380 43 -18.231000 -35.414000 16.414000 10 " " E H 2 "GLU " " H " 1 0 0 1 16.81 3380 10 + 3381 41 -18.166000 -38.393000 16.105000 10 " " E H 2 "GLU " " HA " 1 0 0 1 18.55 3381 10 + 3382 41 -19.685000 -38.537000 18.054000 10 " " E H 2 "GLU " " HB3" 1 0 0 1 26.02 3382 10 + 3383 41 -19.698000 -36.838000 18.237000 10 " " E H 2 "GLU " " HB2" 1 0 0 1 26.02 3383 10 + 3384 41 -18.138000 -37.248000 19.837000 10 " " E H 2 "GLU " " HG3" 1 0 0 1 30.05 3384 10 + 3385 41 -17.023000 -37.219000 18.497000 10 " " E H 2 "GLU " " HG2" 1 0 0 1 30.05 3385 10 + 3386 25 -20.404000 -38.361000 15.035000 11 " " L H 2 "LEU " " N " 7 0 2 1 16.41 3386 11 + 3387 3 -21.758000 -38.462000 14.514000 11 " " L H 2 "LEU " " CA " 6 0 2 1 15.81 3387 11 + 3388 2 -22.477000 -39.432000 15.427000 11 " " L H 2 "LEU " " C " 6 0 2 1 17.08 3388 11 + 3389 15 -22.022000 -40.564000 15.610000 11 " " L H 2 "LEU " " O " 8 0 2 1 15.4 3389 11 + 3390 3 -21.744000 -39.025000 13.096000 11 " " L H 2 "LEU " " CB " 6 0 2 1 14.36 3390 11 + 3391 3 -23.088000 -39.314000 12.425000 11 " " L H 2 "LEU " " CG " 6 0 2 1 13.81 3391 11 + 3392 3 -23.852000 -38.026000 12.144000 11 " " L H 2 "LEU " " CD1" 6 0 2 1 14.64 3392 11 + 3393 3 -22.866000 -40.107000 11.165000 11 " " L H 2 "LEU " " CD2" 6 0 2 1 15.94 3393 11 + 3394 43 -19.791000 -39.146000 14.869000 11 " " L H 2 "LEU " " H " 1 0 2 1 16.41 3394 11 + 3395 41 -22.247000 -37.488000 14.532000 11 " " L H 2 "LEU " " HA " 1 0 2 1 15.81 3395 11 + 3396 41 -21.134000 -39.928000 13.076000 11 " " L H 2 "LEU " " HB3" 1 0 2 1 14.36 3396 11 + 3397 41 -21.160000 -38.365000 12.455000 11 " " L H 2 "LEU " " HB2" 1 0 2 1 14.36 3397 11 + 3398 41 -23.684000 -39.920000 13.107000 11 " " L H 2 "LEU " " HG " 1 0 2 1 13.81 3398 11 + 3399 41 -24.803000 -38.264000 11.667000 11 " " L H 2 "LEU " "HD11" 1 0 2 1 14.64 3399 11 + 3400 41 -24.037000 -37.501000 13.081000 11 " " L H 2 "LEU " "HD12" 1 0 2 1 14.64 3400 11 + 3401 41 -23.263000 -37.391000 11.483000 11 " " L H 2 "LEU " "HD13" 1 0 2 1 14.64 3401 11 + 3402 41 -23.825000 -40.311000 10.690000 11 " " L H 2 "LEU " "HD21" 1 0 2 1 15.94 3402 11 + 3403 41 -22.237000 -39.536000 10.482000 11 " " L H 2 "LEU " "HD22" 1 0 2 1 15.94 3403 11 + 3404 41 -22.375000 -41.049000 11.410000 11 " " L H 2 "LEU " "HD23" 1 0 2 1 15.94 3404 11 + 3405 25 -23.597000 -39.001000 15.998000 12 " " V H 2 "VAL " " N " 7 0 2 1 13.68 3405 12 + 3406 3 -24.344000 -39.873000 16.892000 12 " " V H 2 "VAL " " CA " 6 0 2 1 15.48 3406 12 + 3407 2 -25.822000 -39.820000 16.583000 12 " " V H 2 "VAL " " C " 6 0 2 1 15.91 3407 12 + 3408 15 -26.353000 -38.763000 16.255000 12 " " V H 2 "VAL " " O " 8 0 2 1 14.1 3408 12 + 3409 3 -24.071000 -39.584000 18.399000 12 " " V H 2 "VAL " " CB " 6 0 2 1 22.18 3409 12 + 3410 3 -22.820000 -40.326000 18.849000 12 " " V H 2 "VAL " " CG1" 6 0 2 1 29.71 3410 12 + 3411 3 -23.918000 -38.108000 18.657000 12 " " V H 2 "VAL " " CG2" 6 0 2 1 26.38 3411 12 + 3412 43 -23.931000 -38.066000 15.812000 12 " " V H 2 "VAL " " H " 1 0 2 1 13.68 3412 12 + 3413 41 -24.012000 -40.893000 16.696000 12 " " V H 2 "VAL " " HA " 1 0 2 1 15.48 3413 12 + 3414 41 -24.918000 -39.950000 18.980000 12 " " V H 2 "VAL " " HB " 1 0 2 1 22.18 3414 12 + 3415 41 -22.634000 -40.120000 19.903000 12 " " V H 2 "VAL " "HG11" 1 0 2 1 29.71 3415 12 + 3416 41 -22.962000 -41.397000 18.708000 12 " " V H 2 "VAL " "HG12" 1 0 2 1 29.71 3416 12 + 3417 41 -21.967000 -39.992000 18.258000 12 " " V H 2 "VAL " "HG13" 1 0 2 1 29.71 3417 12 + 3418 41 -23.729000 -37.942000 19.717000 12 " " V H 2 "VAL " "HG21" 1 0 2 1 26.38 3418 12 + 3419 41 -23.082000 -37.722000 18.074000 12 " " V H 2 "VAL " "HG22" 1 0 2 1 26.38 3419 12 + 3420 41 -24.833000 -37.591000 18.366000 12 " " V H 2 "VAL " "HG23" 1 0 2 1 26.38 3420 12 + 3421 25 -26.469000 -40.975000 16.667000 13 " " R H 2 "ARG " " N " 7 0 0 1 16.86 3421 13 + 3422 3 -27.899000 -41.075000 16.414000 13 " " R H 2 "ARG " " CA " 6 0 0 1 21.5 3422 13 + 3423 2 -28.703000 -40.445000 17.557000 13 " " R H 2 "ARG " " C " 6 0 0 1 21.1 3423 13 + 3424 15 -28.247000 -40.446000 18.699000 13 " " R H 2 "ARG " " O " 8 0 0 1 20.01 3424 13 + 3425 3 -28.286000 -42.531000 16.131000 13 " " R H 2 "ARG " " CB " 6 0 0 1 23.92 3425 13 + 3426 3 -27.704000 -42.976000 14.799000 13 " " R H 2 "ARG " " CG " 6 0 0 1 27.06 3426 13 + 3427 3 -27.979000 -44.416000 14.398000 13 " " R H 2 "ARG " " CD " 6 0 0 1 32.69 3427 13 + 3428 25 -27.386000 -44.647000 13.077000 13 " " R H 2 "ARG " " NE " 7 0 0 1 39.46 3428 13 + 3429 2 -28.056000 -44.601000 11.927000 13 " " R H 2 "ARG " " CZ " 6 0 0 1 46.07 3429 13 + 3430 25 -29.368000 -44.366000 11.918000 13 " " R H 2 "ARG " " NH1" 7 0 0 1 46.29 3430 13 + 3431 31 -27.415000 -44.811000 10.779000 13 " " R H 2 "ARG " " NH2" 7 1 0 1 47.01 3431 13 + 3432 43 -25.969000 -41.817000 16.912000 13 " " R H 2 "ARG " " H " 1 0 0 1 16.86 3432 13 + 3433 41 -28.111000 -40.501000 15.512000 13 " " R H 2 "ARG " " HA " 1 0 0 1 21.5 3433 13 + 3434 41 -29.372000 -42.619000 16.100000 13 " " R H 2 "ARG " " HB3" 1 0 0 1 23.92 3434 13 + 3435 41 -27.902000 -43.170000 16.926000 13 " " R H 2 "ARG " " HB2" 1 0 0 1 23.92 3435 13 + 3436 41 -26.628000 -42.803000 14.801000 13 " " R H 2 "ARG " " HG3" 1 0 0 1 27.06 3436 13 + 3437 41 -28.057000 -42.310000 14.012000 13 " " R H 2 "ARG " " HG2" 1 0 0 1 27.06 3437 13 + 3438 41 -29.055000 -44.579000 14.346000 13 " " R H 2 "ARG " " HD3" 1 0 0 1 32.69 3438 13 + 3439 41 -27.522000 -45.089000 15.124000 13 " " R H 2 "ARG " " HD2" 1 0 0 1 32.69 3439 13 + 3440 43 -26.397000 -44.853000 13.077000 13 " " R H 2 "ARG " " HE " 1 0 0 1 39.46 3440 13 + 3441 43 -29.869000 -44.333000 11.042000 13 " " R H 2 "ARG " "HH12" 1 0 0 1 46.29 3441 13 + 3442 43 -29.861000 -44.221000 12.787000 13 " " R H 2 "ARG " "HH11" 1 0 0 1 46.29 3442 13 + 3443 44 -27.920000 -44.777000 9.905000 13 " " R H 2 "ARG " "HH22" 1 0 0 1 47.01 3443 13 + 3444 44 -26.424000 -45.004000 10.782000 13 " " R H 2 "ARG " "HH21" 1 0 0 1 47.01 3444 13 + 3445 25 -29.871000 -39.855000 17.237000 14 " " P H 2 "PRO " " N " 7 0 0 1 19.47 3445 14 + 3446 3 -30.752000 -39.316000 18.272000 14 " " P H 2 "PRO " " CA " 6 0 0 1 19.46 3446 14 + 3447 2 -31.115000 -40.391000 19.300000 14 " " P H 2 "PRO " " C " 6 0 0 1 18.01 3447 14 + 3448 15 -31.369000 -41.541000 18.931000 14 " " P H 2 "PRO " " O " 8 0 0 1 15.97 3448 14 + 3449 3 -32.009000 -38.913000 17.495000 14 " " P H 2 "PRO " " CB " 6 0 0 1 23.75 3449 14 + 3450 3 -31.553000 -38.713000 16.088000 14 " " P H 2 "PRO " " CG " 6 0 0 1 25.24 3450 14 + 3451 3 -30.424000 -39.671000 15.880000 14 " " P H 2 "PRO " " CD " 6 0 0 1 23.02 3451 14 + 3452 41 -30.300000 -38.451000 18.757000 14 " " P H 2 "PRO " " HA " 1 0 0 1 19.46 3452 14 + 3453 41 -32.391000 -37.971000 17.889000 14 " " P H 2 "PRO " " HB3" 1 0 0 1 23.75 3453 14 + 3454 41 -32.732000 -39.728000 17.528000 14 " " P H 2 "PRO " " HB2" 1 0 0 1 23.75 3454 14 + 3455 41 -31.189000 -37.693000 15.967000 14 " " P H 2 "PRO " " HG3" 1 0 0 1 25.24 3455 14 + 3456 41 -32.367000 -38.958000 15.405000 14 " " P H 2 "PRO " " HG2" 1 0 0 1 25.24 3456 14 + 3457 41 -30.819000 -40.621000 15.520000 14 " " P H 2 "PRO " " HD2" 1 0 0 1 23.02 3457 14 + 3458 41 -29.670000 -39.207000 15.244000 14 " " P H 2 "PRO " " HD3" 1 0 0 1 23.02 3458 14 + 3459 25 -31.122000 -40.014000 20.574000 15 " " G H 2 "GLY " " N " 7 0 0 1 22.3 3459 15 + 3460 3 -31.542000 -40.917000 21.655000 15 " " G H 2 "GLY " " CA " 6 0 0 1 20.56 3460 15 + 3461 2 -30.412000 -41.718000 22.271000 15 " " G H 2 "GLY " " C " 6 0 0 1 24.93 3461 15 + 3462 15 -30.587000 -42.351000 23.318000 15 " " G H 2 "GLY " " O " 8 0 0 1 29.48 3462 15 + 3463 43 -30.832000 -39.080000 20.826000 15 " " G H 2 "GLY " " H " 1 0 0 1 22.3 3463 15 + 3464 41 -32.305000 -41.599000 21.280000 15 " " G H 2 "GLY " " HA3" 1 0 0 1 20.56 3464 15 + 3465 41 -32.042000 -40.341000 22.433000 15 " " G H 2 "GLY " " HA2" 1 0 0 1 20.56 3465 15 + 3466 25 -29.257000 -41.686000 21.614000 16 " " V H 2 "VAL " " N " 7 0 0 1 20.23 3466 16 + 3467 3 -28.066000 -42.435000 22.015000 16 " " V H 2 "VAL " " CA " 6 0 0 1 23.13 3467 16 + 3468 2 -27.196000 -41.470000 22.843000 16 " " V H 2 "VAL " " C " 6 0 0 1 25.39 3468 16 + 3469 15 -27.464000 -40.267000 22.856000 16 " " V H 2 "VAL " " O " 8 0 0 1 27.05 3469 16 + 3470 3 -27.327000 -42.983000 20.741000 16 " " V H 2 "VAL " " CB " 6 0 0 1 24.41 3470 16 + 3471 3 -26.007000 -43.652000 21.074000 16 " " V H 2 "VAL " " CG1" 6 0 0 1 29.67 3471 16 + 3472 3 -28.222000 -43.973000 19.980000 16 " " V H 2 "VAL " " CG2" 6 0 0 1 25.68 3472 16 + 3473 43 -29.164000 -41.119000 20.783000 16 " " V H 2 "VAL " " H " 1 0 0 1 20.23 3473 16 + 3474 41 -28.366000 -43.274000 22.643000 16 " " V H 2 "VAL " " HA " 1 0 0 1 23.13 3474 16 + 3475 41 -27.121000 -42.140000 20.082000 16 " " V H 2 "VAL " " HB " 1 0 0 1 24.41 3475 16 + 3476 41 -25.540000 -44.012000 20.157000 16 " " V H 2 "VAL " "HG11" 1 0 0 1 29.67 3476 16 + 3477 41 -25.347000 -42.933000 21.560000 16 " " V H 2 "VAL " "HG12" 1 0 0 1 29.67 3477 16 + 3478 41 -26.184000 -44.493000 21.745000 16 " " V H 2 "VAL " "HG13" 1 0 0 1 29.67 3478 16 + 3479 41 -27.692000 -44.341000 19.101000 16 " " V H 2 "VAL " "HG21" 1 0 0 1 25.68 3479 16 + 3480 41 -28.472000 -44.811000 20.630000 16 " " V H 2 "VAL " "HG22" 1 0 0 1 25.68 3480 16 + 3481 41 -29.137000 -43.470000 19.668000 16 " " V H 2 "VAL " "HG23" 1 0 0 1 25.68 3481 16 + 3482 25 -26.194000 -41.992000 23.555000 17 " " S H 2 "SER " " N " 7 0 0 1 21.57 3482 17 + 3483 3 -25.251000 -41.152000 24.295000 17 " " S H 2 "SER " " CA " 6 0 0 0.5 21.56 3483 17 + 3484 2 -23.925000 -41.016000 23.551000 17 " " S H 2 "SER " " C " 6 0 0 1 21.19 3484 17 + 3485 15 -23.600000 -41.830000 22.680000 17 " " S H 2 "SER " " O " 8 0 0 1 21.74 3485 17 + 3486 3 -25.006000 -41.725000 25.694000 17 " " S H 2 "SER " " CB " 6 0 0 0.5 22.27 3486 17 + 3487 16 -26.217000 -41.832000 26.422000 17 " " S H 2 "SER " " OG " 8 0 0 0.5 22.83 3487 17 + 3488 43 -26.070000 -42.994000 23.594000 17 " " S H 2 "SER " " H " 1 0 0 1 21.57 3488 17 + 3489 41 -25.687000 -40.159000 24.403000 17 " " S H 2 "SER " " HA " 1 0 0 1 21.56 3489 17 + 3490 41 -24.314000 -41.079000 26.234000 17 " " S H 2 "SER " " HB3" 1 0 0 1 22.27 3490 17 + 3491 41 -24.546000 -42.710000 25.607000 17 " " S H 2 "SER " " HB2" 1 0 0 1 22.27 3491 17 + 3492 42 -26.167000 -42.583000 27.018000 17 " " S H 2 "SER " " HG " 1 0 0 1 22.83 3492 17 + 3493 25 -23.161000 -39.993000 23.909000 18 " " V H 2 "VAL " " N " 7 0 2 1 22.84 3493 18 + 3494 3 -21.841000 -39.762000 23.349000 18 " " V H 2 "VAL " " CA " 6 0 2 1 24.85 3494 18 + 3495 2 -20.887000 -39.434000 24.495000 18 " " V H 2 "VAL " " C " 6 0 2 1 25.96 3495 18 + 3496 15 -21.253000 -38.704000 25.419000 18 " " V H 2 "VAL " " O " 8 0 2 1 27.36 3496 18 + 3497 3 -21.871000 -38.605000 22.310000 18 " " V H 2 "VAL " " CB " 6 0 2 1 23.42 3497 18 + 3498 3 -22.137000 -37.263000 22.983000 18 " " V H 2 "VAL " " CG1" 6 0 2 1 26 3498 18 + 3499 3 -20.576000 -38.559000 21.492000 18 " " V H 2 "VAL " " CG2" 6 0 2 1 29.38 3499 18 + 3500 43 -23.491000 -39.333000 24.599000 18 " " V H 2 "VAL " " H " 1 0 2 1 22.84 3500 18 + 3501 41 -21.502000 -40.673000 22.855000 18 " " V H 2 "VAL " " HA " 1 0 2 1 24.85 3501 18 + 3502 41 -22.693000 -38.799000 21.620000 18 " " V H 2 "VAL " " HB " 1 0 2 1 23.42 3502 18 + 3503 41 -22.152000 -36.475000 22.230000 18 " " V H 2 "VAL " "HG11" 1 0 2 1 26 3503 18 + 3504 41 -23.100000 -37.296000 23.493000 18 " " V H 2 "VAL " "HG12" 1 0 2 1 26 3504 18 + 3505 41 -21.350000 -37.057000 23.708000 18 " " V H 2 "VAL " "HG13" 1 0 2 1 26 3505 18 + 3506 41 -20.628000 -37.740000 20.775000 18 " " V H 2 "VAL " "HG21" 1 0 2 1 29.38 3506 18 + 3507 41 -19.729000 -38.403000 22.160000 18 " " V H 2 "VAL " "HG22" 1 0 2 1 29.38 3507 18 + 3508 41 -20.449000 -39.501000 20.959000 18 " " V H 2 "VAL " "HG23" 1 0 2 1 29.38 3508 18 + 3509 25 -19.673000 -39.970000 24.429000 19 " " K H 2 "LYS " " N " 7 0 2 1 24.12 3509 19 + 3510 3 -18.662000 -39.666000 25.431000 19 " " K H 2 "LYS " " CA " 6 0 2 1 21.57 3510 19 + 3511 2 -17.444000 -39.052000 24.773000 19 " " K H 2 "LYS " " C " 6 0 2 1 22.36 3511 19 + 3512 15 -16.803000 -39.664000 23.914000 19 " " K H 2 "LYS " " O " 8 0 2 1 27.27 3512 19 + 3513 3 -18.287000 -40.922000 26.217000 19 " " K H 2 "LYS " " CB " 6 0 2 1 25.82 3513 19 + 3514 3 -17.522000 -40.653000 27.508000 19 " " K H 2 "LYS " " CG " 6 0 2 1 24.79 3514 19 + 3515 3 -17.152000 -41.964000 28.167000 19 " " K H 2 "LYS " " CD " 6 0 2 1 24.14 3515 19 + 3516 3 -16.781000 -41.798000 29.628000 19 " " K H 2 "LYS " " CE " 6 0 2 1 27.24 3516 19 + 3517 32 -16.712000 -43.144000 30.313000 19 " " K H 2 "LYS " " NZ " 7 1 2 1 23.08 3517 19 + 3518 43 -19.439000 -40.600000 23.675000 19 " " K H 2 "LYS " " H " 1 0 2 1 24.12 3518 19 + 3519 41 -19.078000 -38.938000 26.127000 19 " " K H 2 "LYS " " HA " 1 0 2 1 21.57 3519 19 + 3520 41 -17.700000 -41.584000 25.581000 19 " " K H 2 "LYS " " HB3" 1 0 2 1 25.82 3520 19 + 3521 41 -19.190000 -41.489000 26.444000 19 " " K H 2 "LYS " " HB2" 1 0 2 1 25.82 3521 19 + 3522 41 -18.146000 -40.070000 28.185000 19 " " K H 2 "LYS " " HG3" 1 0 2 1 24.79 3522 19 + 3523 41 -16.615000 -40.091000 27.283000 19 " " K H 2 "LYS " " HG2" 1 0 2 1 24.79 3523 19 + 3524 41 -16.318000 -42.416000 27.631000 19 " " K H 2 "LYS " " HD3" 1 0 2 1 24.14 3524 19 + 3525 41 -17.986000 -42.660000 28.082000 19 " " K H 2 "LYS " " HD2" 1 0 2 1 24.14 3525 19 + 3526 41 -17.527000 -41.176000 30.124000 19 " " K H 2 "LYS " " HE3" 1 0 2 1 27.24 3526 19 + 3527 41 -15.813000 -41.303000 29.703000 19 " " K H 2 "LYS " " HE2" 1 0 2 1 27.24 3527 19 + 3528 44 -16.108000 -43.081000 31.120000 19 " " K H 2 "LYS " " HZ1" 1 0 2 1 23.08 3528 19 + 3529 44 -17.638000 -43.420000 30.607000 19 " " K H 2 "LYS " " HZ2" 1 0 2 1 23.08 3529 19 + 3530 44 -16.344000 -43.831000 29.670000 19 " " K H 2 "LYS " " HZ3" 1 0 2 1 23.08 3530 19 + 3531 25 -17.127000 -37.832000 25.180000 20 " " I H 2 "ILE " " N " 7 0 2 1 19.31 3531 20 + 3532 3 -16.002000 -37.130000 24.602000 20 " " I H 2 "ILE " " CA " 6 0 2 1 23.38 3532 20 + 3533 2 -14.929000 -36.915000 25.659000 20 " " I H 2 "ILE " " C " 6 0 2 1 22.31 3533 20 + 3534 15 -15.225000 -36.865000 26.857000 20 " " I H 2 "ILE " " O " 8 0 2 1 22.61 3534 20 + 3535 3 -16.439000 -35.842000 23.863000 20 " " I H 2 "ILE " " CB " 6 0 2 1 28.11 3535 20 + 3536 3 -17.095000 -34.842000 24.803000 20 " " I H 2 "ILE " " CG1" 6 0 2 1 30.94 3536 20 + 3537 3 -17.408000 -36.199000 22.722000 20 " " I H 2 "ILE " " CG2" 6 0 2 1 30.32 3537 20 + 3538 3 -17.719000 -33.635000 24.059000 20 " " I H 2 "ILE " " CD1" 6 0 2 1 29.09 3538 20 + 3539 43 -17.673000 -37.382000 25.901000 20 " " I H 2 "ILE " " H " 1 0 2 1 19.31 3539 20 + 3540 41 -15.573000 -37.792000 23.850000 20 " " I H 2 "ILE " " HA " 1 0 2 1 23.38 3540 20 + 3541 41 -15.554000 -35.377000 23.430000 20 " " I H 2 "ILE " " HB " 1 0 2 1 28.11 3541 20 + 3542 41 -16.358000 -34.483000 25.521000 20 " " I H 2 "ILE " "HG13" 1 0 2 1 30.94 3542 20 + 3543 41 -17.866000 -35.345000 25.387000 20 " " I H 2 "ILE " "HG12" 1 0 2 1 30.94 3543 20 + 3544 41 -17.713000 -35.289000 22.205000 20 " " I H 2 "ILE " "HG21" 1 0 2 1 30.32 3544 20 + 3545 41 -16.911000 -36.867000 22.018000 20 " " I H 2 "ILE " "HG22" 1 0 2 1 30.32 3545 20 + 3546 41 -18.288000 -36.694000 23.133000 20 " " I H 2 "ILE " "HG23" 1 0 2 1 30.32 3546 20 + 3547 41 -18.172000 -32.956000 24.782000 20 " " I H 2 "ILE " "HD11" 1 0 2 1 29.09 3547 20 + 3548 41 -16.942000 -33.109000 23.504000 20 " " I H 2 "ILE " "HD12" 1 0 2 1 29.09 3548 20 + 3549 41 -18.483000 -33.990000 23.367000 20 " " I H 2 "ILE " "HD13" 1 0 2 1 29.09 3549 20 + 3550 25 -13.682000 -36.828000 25.220000 21 " " S H 2 "SER " " N " 7 0 2 1 21.65 3550 21 + 3551 3 -12.570000 -36.863000 26.159000 21 " " S H 2 "SER " " CA " 6 0 2 1 21.71 3551 21 + 3552 2 -11.689000 -35.630000 26.037000 21 " " S H 2 "SER " " C " 6 0 2 1 21.17 3552 21 + 3553 15 -11.691000 -34.929000 25.006000 21 " " S H 2 "SER " " O " 8 0 2 1 18.75 3553 21 + 3554 3 -11.735000 -38.144000 25.987000 21 " " S H 2 "SER " " CB " 6 0 2 1 22.34 3554 21 + 3555 16 -11.002000 -38.147000 24.768000 21 " " S H 2 "SER " " OG " 8 0 2 1 21.72 3555 21 + 3556 43 -13.500000 -36.737000 24.231000 21 " " S H 2 "SER " " H " 1 0 2 1 21.65 3556 21 + 3557 41 -12.987000 -36.873000 27.166000 21 " " S H 2 "SER " " HA " 1 0 2 1 21.71 3557 21 + 3558 41 -12.393000 -39.012000 26.016000 21 " " S H 2 "SER " " HB3" 1 0 2 1 22.34 3558 21 + 3559 41 -11.045000 -38.242000 26.825000 21 " " S H 2 "SER " " HB2" 1 0 2 1 22.34 3559 21 + 3560 42 -10.404000 -37.397000 24.752000 21 " " S H 2 "SER " " HG " 1 0 2 1 21.72 3560 21 + 3561 25 -10.922000 -35.387000 27.093000 22 " " C H 2 "CYS " " N " 7 0 2 1 19.6 3561 22 + 3562 3 -10.070000 -34.211000 27.154000 22 " " C H 2 "CYS " " CA " 6 0 2 1 21.65 3562 22 + 3563 2 -8.824000 -34.579000 27.944000 22 " " C H 2 "CYS " " C " 6 0 2 1 21.45 3563 22 + 3564 15 -8.911000 -34.792000 29.158000 22 " " C H 2 "CYS " " O " 8 0 2 1 23.98 3564 22 + 3565 3 -10.820000 -33.064000 27.836000 22 " " C H 2 "CYS " " CB " 6 0 2 1 24.35 3565 22 + 3566 49 -9.824000 -31.584000 28.185000 22 " " C H 2 "CYS " " SG " 16 0 2 1 26.58 3566 22 + 3567 43 -10.923000 -36.026000 27.875000 22 " " C H 2 "CYS " " H " 1 0 2 1 19.6 3567 22 + 3568 41 -9.787000 -33.913000 26.145000 22 " " C H 2 "CYS " " HA " 1 0 2 1 21.65 3568 22 + 3569 41 -11.265000 -33.425000 28.763000 22 " " C H 2 "CYS " " HB3" 1 0 2 1 24.35 3569 22 + 3570 41 -11.680000 -32.784000 27.228000 22 " " C H 2 "CYS " " HB2" 1 0 2 1 24.35 3570 22 + 3571 25 -7.681000 -34.667000 27.258000 23 " " K H 2 "LYS " " N " 7 0 2 1 21.25 3571 23 + 3572 3 -6.431000 -35.088000 27.903000 23 " " K H 2 "LYS " " CA " 6 0 2 1 22.38 3572 23 + 3573 2 -5.527000 -33.899000 28.183000 23 " " K H 2 "LYS " " C " 6 0 2 1 20.77 3573 23 + 3574 15 -5.238000 -33.107000 27.289000 23 " " K H 2 "LYS " " O " 8 0 2 1 23.93 3574 23 + 3575 3 -5.701000 -36.140000 27.059000 23 " " K H 2 "LYS " " CB " 6 0 2 1 23.25 3575 23 + 3576 3 -4.362000 -36.601000 27.637000 23 " " K H 2 "LYS " " CG " 6 0 2 1 25.06 3576 23 + 3577 3 -3.658000 -37.564000 26.687000 23 " " K H 2 "LYS " " CD " 6 0 2 1 31.08 3577 23 + 3578 3 -2.231000 -37.885000 27.154000 23 " " K H 2 "LYS " " CE " 6 0 2 1 39.34 3578 23 + 3579 32 -2.213000 -38.737000 28.368000 23 " " K H 2 "LYS " " NZ " 7 1 2 1 42.25 3579 23 + 3580 43 -7.664000 -34.442000 26.274000 23 " " K H 2 "LYS " " H " 1 0 2 1 21.25 3580 23 + 3581 41 -6.686000 -35.546000 28.859000 23 " " K H 2 "LYS " " HA " 1 0 2 1 22.38 3581 23 + 3582 41 -5.545000 -35.751000 26.053000 23 " " K H 2 "LYS " " HB3" 1 0 2 1 23.25 3582 23 + 3583 41 -6.350000 -37.004000 26.919000 23 " " K H 2 "LYS " " HB2" 1 0 2 1 23.25 3583 23 + 3584 41 -4.531000 -37.094000 28.594000 23 " " K H 2 "LYS " " HG3" 1 0 2 1 25.06 3584 23 + 3585 41 -3.725000 -35.734000 27.813000 23 " " K H 2 "LYS " " HG2" 1 0 2 1 25.06 3585 23 + 3586 41 -3.623000 -37.128000 25.689000 23 " " K H 2 "LYS " " HD3" 1 0 2 1 31.08 3586 23 + 3587 41 -4.232000 -38.488000 26.615000 23 " " K H 2 "LYS " " HD2" 1 0 2 1 31.08 3587 23 + 3588 41 -1.698000 -36.956000 27.355000 23 " " K H 2 "LYS " " HE3" 1 0 2 1 39.34 3588 23 + 3589 41 -1.691000 -38.387000 26.351000 23 " " K H 2 "LYS " " HE2" 1 0 2 1 39.34 3589 23 + 3590 44 -2.893000 -38.394000 29.031000 23 " " K H 2 "LYS " " HZ1" 1 0 2 1 42.25 3590 23 + 3591 44 -2.440000 -39.688000 28.116000 23 " " K H 2 "LYS " " HZ2" 1 0 2 1 42.25 3591 23 + 3592 44 -1.294000 -38.710000 28.785000 23 " " K H 2 "LYS " " HZ3" 1 0 2 1 42.25 3592 23 + 3593 25 -5.110000 -33.756000 29.438000 24 " " G H 2 "GLY " " N " 7 0 2 1 24.77 3593 24 + 3594 3 -4.259000 -32.626000 29.836000 24 " " G H 2 "GLY " " CA " 6 0 2 1 23.64 3594 24 + 3595 2 -2.793000 -32.988000 29.872000 24 " " G H 2 "GLY " " C " 6 0 2 1 26.26 3595 24 + 3596 15 -2.414000 -34.070000 30.361000 24 " " G H 2 "GLY " " O " 8 0 2 1 26.32 3596 24 + 3597 43 -5.378000 -34.432000 30.139000 24 " " G H 2 "GLY " " H " 1 0 2 1 24.77 3597 24 + 3598 41 -4.568000 -32.268000 30.818000 24 " " G H 2 "GLY " " HA3" 1 0 2 1 23.64 3598 24 + 3599 41 -4.411000 -31.797000 29.145000 24 " " G H 2 "GLY " " HA2" 1 0 2 1 23.64 3599 24 + 3600 25 -1.955000 -32.088000 29.359000 25 " " S H 2 "SER " " N " 7 0 2 1 22.61 3600 25 + 3601 3 -0.508000 -32.270000 29.440000 25 " " S H 2 "SER " " CA " 6 0 2 1 24.44 3601 25 + 3602 2 0.182000 -30.936000 29.730000 25 " " S H 2 "SER " " C " 6 0 2 1 21.44 3602 25 + 3603 15 -0.415000 -29.869000 29.565000 25 " " S H 2 "SER " " O " 8 0 2 1 20.82 3603 25 + 3604 3 0.037000 -32.871000 28.141000 25 " " S H 2 "SER " " CB " 6 0 2 1 26.6 3604 25 + 3605 16 -0.198000 -31.975000 27.067000 25 " " S H 2 "SER " " OG " 8 0 2 1 25.62 3605 25 + 3606 43 -2.317000 -31.262000 28.904000 25 " " S H 2 "SER " " H " 1 0 2 1 22.61 3606 25 + 3607 41 -0.291000 -32.957000 30.258000 25 " " S H 2 "SER " " HA " 1 0 2 1 24.44 3607 25 + 3608 41 -0.465000 -33.818000 27.940000 25 " " S H 2 "SER " " HB3" 1 0 2 1 26.6 3608 25 + 3609 41 1.109000 -33.043000 28.242000 25 " " S H 2 "SER " " HB2" 1 0 2 1 26.6 3609 25 + 3610 42 -1.142000 -31.823000 26.977000 25 " " S H 2 "SER " " HG " 1 0 2 1 25.62 3610 25 + 3611 25 1.439000 -31.007000 30.164000 26 " " G H 2 "GLY " " N " 7 0 0 1 20.69 3611 26 + 3612 3 2.222000 -29.797000 30.433000 26 " " G H 2 "GLY " " CA " 6 0 0 1 26.06 3612 26 + 3613 2 1.916000 -29.170000 31.785000 26 " " G H 2 "GLY " " C " 6 0 0 1 28.97 3613 26 + 3614 15 2.349000 -28.052000 32.075000 26 " " G H 2 "GLY " " O " 8 0 0 1 26.39 3614 26 + 3615 43 1.871000 -31.907000 30.314000 26 " " G H 2 "GLY " " H " 1 0 0 1 20.69 3615 26 + 3616 41 2.040000 -29.066000 29.645000 26 " " G H 2 "GLY " " HA3" 1 0 0 1 26.06 3616 26 + 3617 41 3.285000 -30.033000 30.376000 26 " " G H 2 "GLY " " HA2" 1 0 0 1 26.06 3617 26 + 3618 25 1.174000 -29.901000 32.612000 27 " " Y H 2 "TYR " " N " 7 0 0 1 27.31 3618 27 + 3619 3 0.926000 -29.522000 34.006000 27 " " Y H 2 "TYR " " CA " 6 0 0 1 25.83 3619 27 + 3620 2 0.526000 -30.782000 34.777000 27 " " Y H 2 "TYR " " C " 6 0 0 1 28.58 3620 27 + 3621 15 0.291000 -31.833000 34.169000 27 " " Y H 2 "TYR " " O " 8 0 0 1 27.4 3621 27 + 3622 3 -0.151000 -28.428000 34.102000 27 " " Y H 2 "TYR " " CB " 6 0 0 1 27.42 3622 27 + 3623 2 -1.566000 -28.870000 33.789000 27 " " Y H 2 "TYR " " CG " 6 0 0 1 23.46 3623 27 + 3624 2 -2.449000 -29.221000 34.815000 27 " " Y H 2 "TYR " " CD1" 6 0 0 1 24.6 3624 27 + 3625 2 -2.032000 -28.922000 32.475000 27 " " Y H 2 "TYR " " CD2" 6 0 0 1 23.94 3625 27 + 3626 2 -3.761000 -29.620000 34.544000 27 " " Y H 2 "TYR " " CE1" 6 0 0 1 25.77 3626 27 + 3627 2 -3.350000 -29.312000 32.194000 27 " " Y H 2 "TYR " " CE2" 6 0 0 1 25.99 3627 27 + 3628 2 -4.197000 -29.668000 33.233000 27 " " Y H 2 "TYR " " CZ " 6 0 0 1 25.4 3628 27 + 3629 16 -5.485000 -30.059000 32.966000 27 " " Y H 2 "TYR " " OH " 8 0 0 1 29.51 3629 27 + 3630 43 0.752000 -30.759000 32.287000 27 " " Y H 2 "TYR " " H " 1 0 0 1 27.31 3630 27 + 3631 41 1.852000 -29.135000 34.430000 27 " " Y H 2 "TYR " " HA " 1 0 0 1 25.83 3631 27 + 3632 41 0.120000 -27.598000 33.449000 27 " " Y H 2 "TYR " " HB3" 1 0 0 1 27.42 3632 27 + 3633 41 -0.125000 -27.983000 35.097000 27 " " Y H 2 "TYR " " HB2" 1 0 0 1 27.42 3633 27 + 3634 41 -2.122000 -29.187000 35.844000 27 " " Y H 2 "TYR " " HD1" 1 0 0 1 24.6 3634 27 + 3635 41 -1.375000 -28.660000 31.658000 27 " " Y H 2 "TYR " " HD2" 1 0 0 1 23.94 3635 27 + 3636 41 -4.423000 -29.887000 35.355000 27 " " Y H 2 "TYR " " HE1" 1 0 0 1 25.77 3636 27 + 3637 41 -3.701000 -29.334000 31.173000 27 " " Y H 2 "TYR " " HE2" 1 0 0 1 25.99 3637 27 + 3638 42 -5.810000 -30.606000 33.685000 27 " " Y H 2 "TYR " " HH " 1 0 0 1 29.51 3638 27 + 3639 25 0.466000 -30.694000 36.103000 28 " " T H 2 "THR " " N " 7 0 0 1 27.6 3639 28 + 3640 3 0.030000 -31.843000 36.896000 28 " " T H 2 "THR " " CA " 6 0 0 1 27.21 3640 28 + 3641 2 -1.496000 -31.952000 36.809000 28 " " T H 2 "THR " " C " 6 0 0 1 26.91 3641 28 + 3642 15 -2.225000 -31.148000 37.395000 28 " " T H 2 "THR " " O " 8 0 0 1 26.32 3642 28 + 3643 3 0.524000 -31.755000 38.349000 28 " " T H 2 "THR " " CB " 6 0 0 1 28.73 3643 28 + 3644 16 1.932000 -31.477000 38.349000 28 " " T H 2 "THR " " OG1" 8 0 0 1 30.23 3644 28 + 3645 3 0.289000 -33.082000 39.086000 28 " " T H 2 "THR " " CG2" 6 0 0 1 27.01 3645 28 + 3646 43 0.722000 -29.833000 36.564000 28 " " T H 2 "THR " " H " 1 0 0 1 27.6 3646 28 + 3647 41 0.457000 -32.741000 36.450000 28 " " T H 2 "THR " " HA " 1 0 0 1 27.21 3647 28 + 3648 41 -0.005000 -30.954000 38.865000 28 " " T H 2 "THR " " HB " 1 0 0 1 28.73 3648 28 + 3649 42 2.248000 -31.421000 39.254000 28 " " T H 2 "THR " " HG1" 1 0 0 1 30.23 3649 28 + 3650 41 0.646000 -32.996000 40.112000 28 " " T H 2 "THR " "HG21" 1 0 0 1 27.01 3650 28 + 3651 41 -0.776000 -33.312000 39.091000 28 " " T H 2 "THR " "HG22" 1 0 0 1 27.01 3651 28 + 3652 41 0.830000 -33.881000 38.579000 28 " " T H 2 "THR " "HG23" 1 0 0 1 27.01 3652 28 + 3653 25 -1.965000 -32.931000 36.041000 29 " " F H 2 "PHE " " N " 7 0 0 1 32.06 3653 29 + 3654 3 -3.392000 -33.050000 35.707000 29 " " F H 2 "PHE " " CA " 6 0 0 1 34.67 3654 29 + 3655 2 -4.317000 -32.986000 36.921000 29 " " F H 2 "PHE " " C " 6 0 0 1 35.01 3655 29 + 3656 15 -5.288000 -32.232000 36.926000 29 " " F H 2 "PHE " " O " 8 0 0 1 32.8 3656 29 + 3657 3 -3.662000 -34.338000 34.924000 29 " " F H 2 "PHE " " CB " 6 0 0 1 36.46 3657 29 + 3658 2 -5.128000 -34.611000 34.680000 29 " " F H 2 "PHE " " CG " 6 0 0 1 37.33 3658 29 + 3659 2 -5.792000 -34.012000 33.617000 29 " " F H 2 "PHE " " CD1" 6 0 0 1 37.19 3659 29 + 3660 2 -5.841000 -35.474000 35.513000 29 " " F H 2 "PHE " " CD2" 6 0 0 1 38.49 3660 29 + 3661 2 -7.145000 -34.266000 33.384000 29 " " F H 2 "PHE " " CE1" 6 0 0 1 37.8 3661 29 + 3662 2 -7.196000 -35.733000 35.287000 29 " " F H 2 "PHE " " CE2" 6 0 0 1 38.08 3662 29 + 3663 2 -7.844000 -35.126000 34.216000 29 " " F H 2 "PHE " " CZ " 6 0 0 1 36.63 3663 29 + 3664 43 -1.334000 -33.625000 35.666000 29 " " F H 2 "PHE " " H " 1 0 0 1 32.06 3664 29 + 3665 41 -3.647000 -32.213000 35.057000 29 " " F H 2 "PHE " " HA " 1 0 0 1 34.67 3665 29 + 3666 41 -3.220000 -35.182000 35.454000 29 " " F H 2 "PHE " " HB3" 1 0 0 1 36.46 3666 29 + 3667 41 -3.138000 -34.297000 33.969000 29 " " F H 2 "PHE " " HB2" 1 0 0 1 36.46 3667 29 + 3668 41 -5.261000 -33.340000 32.958000 29 " " F H 2 "PHE " " HD1" 1 0 0 1 37.19 3668 29 + 3669 41 -5.346000 -35.952000 36.346000 29 " " F H 2 "PHE " " HD2" 1 0 0 1 38.49 3669 29 + 3670 41 -7.648000 -33.792000 32.554000 29 " " F H 2 "PHE " " HE1" 1 0 0 1 37.8 3670 29 + 3671 41 -7.735000 -36.402000 35.942000 29 " " F H 2 "PHE " " HE2" 1 0 0 1 38.08 3671 29 + 3672 41 -8.890000 -35.324000 34.032000 29 " " F H 2 "PHE " " HZ " 1 0 0 1 36.63 3672 29 + 3673 25 -4.009000 -33.790000 37.936000 30 " " I H 2 "ILE " " N " 7 0 0 1 36.34 3673 30 + 3674 3 -4.857000 -33.907000 39.123000 30 " " I H 2 "ILE " " CA " 6 0 0 1 34.52 3674 30 + 3675 2 -5.061000 -32.551000 39.821000 30 " " I H 2 "ILE " " C " 6 0 0 1 31.72 3675 30 + 3676 15 -6.070000 -32.337000 40.485000 30 " " I H 2 "ILE " " O " 8 0 0 1 35.51 3676 30 + 3677 3 -4.312000 -34.997000 40.113000 30 " " I H 2 "ILE " " CB " 6 0 0 1 31.27 3677 30 + 3678 3 -5.417000 -35.464000 41.074000 30 " " I H 2 "ILE " " CG1" 6 0 0 1 32.72 3678 30 + 3679 3 -3.038000 -34.510000 40.844000 30 " " I H 2 "ILE " " CG2" 6 0 0 1 34.44 3679 30 + 3680 3 -5.007000 -36.600000 42.034000 30 " " I H 2 "ILE " " CD1" 6 0 0 1 34.48 3680 30 + 3681 43 -3.166000 -34.345000 37.903000 30 " " I H 2 "ILE " " H " 1 0 0 1 36.34 3681 30 + 3682 41 -5.837000 -34.243000 38.784000 30 " " I H 2 "ILE " " HA " 1 0 0 1 34.52 3682 30 + 3683 41 -4.025000 -35.860000 39.512000 30 " " I H 2 "ILE " " HB " 1 0 0 1 31.27 3683 30 + 3684 41 -6.288000 -35.776000 40.498000 30 " " I H 2 "ILE " "HG13" 1 0 0 1 32.72 3684 30 + 3685 41 -5.774000 -34.613000 41.654000 30 " " I H 2 "ILE " "HG12" 1 0 0 1 32.72 3685 30 + 3686 41 -2.687000 -35.289000 41.521000 30 " " I H 2 "ILE " "HG21" 1 0 0 1 34.44 3686 30 + 3687 41 -2.261000 -34.288000 40.112000 30 " " I H 2 "ILE " "HG22" 1 0 0 1 34.44 3687 30 + 3688 41 -3.267000 -33.610000 41.414000 30 " " I H 2 "ILE " "HG23" 1 0 0 1 34.44 3688 30 + 3689 41 -5.852000 -36.860000 42.672000 30 " " I H 2 "ILE " "HD11" 1 0 0 1 34.48 3689 30 + 3690 41 -4.706000 -37.474000 41.456000 30 " " I H 2 "ILE " "HD12" 1 0 0 1 34.48 3690 30 + 3691 41 -4.173000 -36.270000 42.654000 30 " " I H 2 "ILE " "HD13" 1 0 0 1 34.48 3691 30 + 3692 25 -4.114000 -31.638000 39.619000 31 " " D H 2 "ASP " " N " 7 0 0 1 29.75 3692 31 + 3693 3 -4.043000 -30.371000 40.351000 31 " " D H 2 "ASP " " CA " 6 0 0 1 34.01 3693 31 + 3694 2 -4.987000 -29.237000 39.955000 31 " " D H 2 "ASP " " C " 6 0 0 1 31.1 3694 31 + 3695 15 -5.126000 -28.285000 40.718000 31 " " D H 2 "ASP " " O " 8 0 0 1 31.95 3695 31 + 3696 3 -2.617000 -29.822000 40.304000 31 " " D H 2 "ASP " " CB " 6 0 0 1 38.01 3696 31 + 3697 2 -1.687000 -30.520000 41.271000 31 " " D H 2 "ASP " " CG " 6 0 0 1 43.98 3697 31 + 3698 15 -2.142000 -31.385000 42.064000 31 " " D H 2 "ASP " " OD1" 8 0 0 1 44.9 3698 31 + 3699 18 -0.483000 -30.191000 41.230000 31 " " D H 2 "ASP " " OD2" 8 -1 0 1 46.95 3699 31 + 3700 43 -3.394000 -31.802000 38.930000 31 " " D H 2 "ASP " " H " 1 0 0 1 29.75 3700 31 + 3701 41 -4.254000 -30.602000 41.395000 31 " " D H 2 "ASP " " HA " 1 0 0 1 34.01 3701 31 + 3702 41 -2.633000 -28.754000 40.523000 31 " " D H 2 "ASP " " HB3" 1 0 0 1 38.01 3702 31 + 3703 41 -2.225000 -29.918000 39.291000 31 " " D H 2 "ASP " " HB2" 1 0 0 1 38.01 3703 31 + 3704 25 -5.593000 -29.288000 38.769000 32 " " E H 2 "GLU " " N " 7 0 0 1 28.48 3704 32 + 3705 3 -6.494000 -28.205000 38.351000 32 " " E H 2 "GLU " " CA " 6 0 0 1 24.01 3705 32 + 3706 2 -7.878000 -28.706000 37.917000 32 " " E H 2 "GLU " " C " 6 0 0 1 23.89 3706 32 + 3707 15 -8.009000 -29.807000 37.383000 32 " " E H 2 "GLU " " O " 8 0 0 1 22.9 3707 32 + 3708 3 -5.906000 -27.344000 37.212000 32 " " E H 2 "GLU " " CB " 6 0 0 1 29.65 3708 32 + 3709 3 -4.470000 -26.830000 37.399000 32 " " E H 2 "GLU " " CG " 6 0 0 1 35.58 3709 32 + 3710 2 -4.278000 -25.924000 38.614000 32 " " E H 2 "GLU " " CD " 6 0 0 1 39.8 3710 32 + 3711 15 -5.200000 -25.149000 38.980000 32 " " E H 2 "GLU " " OE1" 8 0 0 1 37.47 3711 32 + 3712 18 -3.174000 -25.989000 39.197000 32 " " E H 2 "GLU " " OE2" 8 -1 0 1 41.79 3712 32 + 3713 43 -5.434000 -30.073000 38.154000 32 " " E H 2 "GLU " " H " 1 0 0 1 28.48 3713 32 + 3714 41 -6.639000 -27.552000 39.211000 32 " " E H 2 "GLU " " HA " 1 0 0 1 24.01 3714 32 + 3715 41 -6.568000 -26.499000 37.023000 32 " " E H 2 "GLU " " HB3" 1 0 0 1 29.65 3715 32 + 3716 41 -5.970000 -27.897000 36.275000 32 " " E H 2 "GLU " " HB2" 1 0 0 1 29.65 3716 32 + 3717 41 -4.156000 -26.300000 36.500000 32 " " E H 2 "GLU " " HG3" 1 0 0 1 35.58 3717 32 + 3718 41 -3.789000 -27.678000 37.470000 32 " " E H 2 "GLU " " HG2" 1 0 0 1 35.58 3718 32 + 3719 25 -8.885000 -27.858000 38.126000 33 " " A H 2 "ALA " " N " 7 0 0 1 20.1 3719 33 + 3720 3 -10.261000 -28.149000 37.753000 33 " " A H 2 "ALA " " CA " 6 0 0 1 22.19 3720 33 + 3721 2 -10.429000 -28.021000 36.252000 33 " " A H 2 "ALA " " C " 6 0 0 1 24.23 3721 33 + 3722 15 -9.756000 -27.210000 35.597000 33 " " A H 2 "ALA " " O " 8 0 0 1 22.63 3722 33 + 3723 3 -11.210000 -27.186000 38.455000 33 " " A H 2 "ALA " " CB " 6 0 0 1 23.21 3723 33 + 3724 43 -8.710000 -26.964000 38.563000 33 " " A H 2 "ALA " " H " 1 0 0 1 20.1 3724 33 + 3725 41 -10.503000 -29.169000 38.053000 33 " " A H 2 "ALA " " HA " 1 0 0 1 22.19 3725 33 + 3726 41 -12.237000 -27.413000 38.168000 33 " " A H 2 "ALA " " HB1" 1 0 0 1 23.21 3726 33 + 3727 41 -11.103000 -27.292000 39.535000 33 " " A H 2 "ALA " " HB2" 1 0 0 1 23.21 3727 33 + 3728 41 -10.970000 -26.163000 38.165000 33 " " A H 2 "ALA " " HB3" 1 0 0 1 23.21 3728 33 + 3729 25 -11.352000 -28.805000 35.714000 34 " " L H 2 "LEU " " N " 7 0 2 1 21.63 3729 34 + 3730 3 -11.603000 -28.812000 34.294000 34 " " L H 2 "LEU " " CA " 6 0 2 1 20.02 3730 34 + 3731 2 -13.089000 -28.590000 34.086000 34 " " L H 2 "LEU " " C " 6 0 2 1 21.65 3731 34 + 3732 15 -13.933000 -29.251000 34.719000 34 " " L H 2 "LEU " " O " 8 0 2 1 21.46 3732 34 + 3733 3 -11.158000 -30.140000 33.669000 34 " " L H 2 "LEU " " CB " 6 0 2 1 24.84 3733 34 + 3734 3 -9.694000 -30.378000 33.278000 34 " " L H 2 "LEU " " CG " 6 0 2 1 28.07 3734 34 + 3735 3 -9.525000 -31.835000 32.852000 34 " " L H 2 "LEU " " CD1" 6 0 2 1 31.59 3735 34 + 3736 3 -9.204000 -29.446000 32.147000 34 " " L H 2 "LEU " " CD2" 6 0 2 1 29.41 3736 34 + 3737 43 -11.900000 -29.417000 36.302000 34 " " L H 2 "LEU " " H " 1 0 2 1 21.63 3737 34 + 3738 41 -11.051000 -27.995000 33.829000 34 " " L H 2 "LEU " " HA " 1 0 2 1 20.02 3738 34 + 3739 41 -11.792000 -30.354000 32.808000 34 " " L H 2 "LEU " " HB3" 1 0 2 1 24.84 3739 34 + 3740 41 -11.489000 -30.958000 34.308000 34 " " L H 2 "LEU " " HB2" 1 0 2 1 24.84 3740 34 + 3741 41 -9.073000 -30.205000 34.157000 34 " " L H 2 "LEU " " HG " 1 0 2 1 28.07 3741 34 + 3742 41 -8.487000 -32.014000 32.572000 34 " " L H 2 "LEU " "HD11" 1 0 2 1 31.59 3742 34 + 3743 41 -9.796000 -32.490000 33.680000 34 " " L H 2 "LEU " "HD12" 1 0 2 1 31.59 3743 34 + 3744 41 -10.172000 -32.042000 31.999000 34 " " L H 2 "LEU " "HD13" 1 0 2 1 31.59 3744 34 + 3745 41 -8.161000 -29.667000 31.919000 34 " " L H 2 "LEU " "HD21" 1 0 2 1 29.41 3745 34 + 3746 41 -9.811000 -29.605000 31.256000 34 " " L H 2 "LEU " "HD22" 1 0 2 1 29.41 3746 34 + 3747 41 -9.293000 -28.408000 32.467000 34 " " L H 2 "LEU " "HD23" 1 0 2 1 29.41 3747 34 + 3748 25 -13.397000 -27.648000 33.213000 35 " " H H 2 "HIS " " N " 7 0 2 1 17.76 3748 35 + 3749 3 -14.774000 -27.235000 32.957000 35 " " H H 2 "HIS " " CA " 6 0 2 1 20.76 3749 35 + 3750 2 -15.159000 -27.631000 31.545000 35 " " H H 2 "HIS " " C " 6 0 2 1 21.08 3750 35 + 3751 15 -14.297000 -27.823000 30.684000 35 " " H H 2 "HIS " " O " 8 0 2 1 21.78 3751 35 + 3752 3 -14.911000 -25.719000 33.076000 35 " " H H 2 "HIS " " CB " 6 0 2 1 21.39 3752 35 + 3753 2 -14.494000 -25.168000 34.403000 35 " " H H 2 "HIS " " CG " 6 0 2 1 22.49 3753 35 + 3754 25 -15.376000 -24.530000 35.245000 35 " " H H 2 "HIS " " ND1" 7 0 2 1 21.34 3754 35 + 3755 2 -13.289000 -25.132000 35.020000 35 " " H H 2 "HIS " " CD2" 6 0 2 1 23.84 3755 35 + 3756 2 -14.739000 -24.130000 36.330000 35 " " H H 2 "HIS " " CE1" 6 0 2 1 21.98 3756 35 + 3757 25 -13.469000 -24.487000 36.221000 35 " " H H 2 "HIS " " NE2" 7 0 2 1 23.05 3757 35 + 3758 43 -12.667000 -27.184000 32.693000 35 " " H H 2 "HIS " " H " 1 0 2 1 17.76 3758 35 + 3759 41 -15.441000 -27.721000 33.669000 35 " " H H 2 "HIS " " HA " 1 0 2 1 20.76 3759 35 + 3760 41 -15.943000 -25.433000 32.874000 35 " " H H 2 "HIS " " HB3" 1 0 2 1 21.39 3760 35 + 3761 41 -14.330000 -25.241000 32.288000 35 " " H H 2 "HIS " " HB2" 1 0 2 1 21.39 3761 35 + 3762 41 -12.425000 -25.569000 34.542000 35 " " H H 2 "HIS " " HD2" 1 0 2 1 23.84 3762 35 + 3763 41 -15.274000 -23.607000 37.109000 35 " " H H 2 "HIS " " HE1" 1 0 2 1 21.98 3763 35 + 3764 43 -12.687000 -24.359000 36.848000 35 " " H H 2 "HIS " " HE2" 1 0 2 1 23.05 3764 35 + 3765 25 -16.453000 -27.770000 31.314000 36 " " W H 2 "TRP " " N " 7 0 2 1 19.11 3765 36 + 3766 3 -16.956000 -28.055000 29.988000 36 " " W H 2 "TRP " " CA " 6 0 2 1 21.7 3766 36 + 3767 2 -17.863000 -26.919000 29.570000 36 " " W H 2 "TRP " " C " 6 0 2 1 22.82 3767 36 + 3768 15 -18.667000 -26.417000 30.375000 36 " " W H 2 "TRP " " O " 8 0 2 1 19.96 3768 36 + 3769 3 -17.691000 -29.403000 29.963000 36 " " W H 2 "TRP " " CB " 6 0 2 1 19.39 3769 36 + 3770 2 -16.756000 -30.566000 30.231000 36 " " W H 2 "TRP " " CG " 6 0 2 1 21.19 3770 36 + 3771 2 -16.420000 -31.098000 31.443000 36 " " W H 2 "TRP " " CD1" 6 0 2 1 22.06 3771 36 + 3772 2 -16.042000 -31.316000 29.245000 36 " " W H 2 "TRP " " CD2" 6 0 2 1 22.41 3772 36 + 3773 25 -15.532000 -32.139000 31.270000 36 " " W H 2 "TRP " " NE1" 7 0 2 1 19.56 3773 36 + 3774 2 -15.291000 -32.295000 29.928000 36 " " W H 2 "TRP " " CE2" 6 0 2 1 22.33 3774 36 + 3775 2 -15.966000 -31.254000 27.838000 36 " " W H 2 "TRP " " CE3" 6 0 2 1 19.86 3775 36 + 3776 2 -14.473000 -33.214000 29.258000 36 " " W H 2 "TRP " " CZ2" 6 0 2 1 20.64 3776 36 + 3777 2 -15.154000 -32.178000 27.173000 36 " " W H 2 "TRP " " CZ3" 6 0 2 1 19.96 3777 36 + 3778 2 -14.423000 -33.138000 27.887000 36 " " W H 2 "TRP " " CH2" 6 0 2 1 21.06 3778 36 + 3779 43 -17.114000 -27.677000 32.072000 36 " " W H 2 "TRP " " H " 1 0 2 1 19.11 3779 36 + 3780 41 -16.114000 -28.103000 29.297000 36 " " W H 2 "TRP " " HA " 1 0 2 1 21.7 3780 36 + 3781 41 -18.168000 -29.538000 28.992000 36 " " W H 2 "TRP " " HB3" 1 0 2 1 19.39 3781 36 + 3782 41 -18.485000 -29.397000 30.710000 36 " " W H 2 "TRP " " HB2" 1 0 2 1 19.39 3782 36 + 3783 41 -16.844000 -30.690000 32.348000 36 " " W H 2 "TRP " " HD1" 1 0 2 1 22.06 3783 36 + 3784 43 -15.178000 -32.639000 32.073000 36 " " W H 2 "TRP " " HE1" 1 0 2 1 19.56 3784 36 + 3785 41 -16.527000 -30.505000 27.299000 36 " " W H 2 "TRP " " HE3" 1 0 2 1 19.86 3785 36 + 3786 41 -13.911000 -33.946000 29.819000 36 " " W H 2 "TRP " " HZ2" 1 0 2 1 20.64 3786 36 + 3787 41 -15.084000 -32.158000 26.095000 36 " " W H 2 "TRP " " HZ3" 1 0 2 1 19.96 3787 36 + 3788 41 -13.808000 -33.830000 27.330000 36 " " W H 2 "TRP " " HH2" 1 0 2 1 21.06 3788 36 + 3789 25 -17.714000 -26.512000 28.313000 37 " " V H 2 "VAL " " N " 7 0 2 1 22.5 3789 37 + 3790 3 -18.471000 -25.398000 27.761000 37 " " V H 2 "VAL " " CA " 6 0 2 1 19.02 3790 37 + 3791 2 -19.023000 -25.800000 26.390000 37 " " V H 2 "VAL " " C " 6 0 2 1 21.22 3791 37 + 3792 15 -18.300000 -26.374000 25.559000 37 " " V H 2 "VAL " " O " 8 0 2 1 22.83 3792 37 + 3793 3 -17.573000 -24.127000 27.609000 37 " " V H 2 "VAL " " CB " 6 0 2 1 23.81 3793 37 + 3794 3 -18.368000 -22.963000 26.984000 37 " " V H 2 "VAL " " CG1" 6 0 2 1 23.15 3794 37 + 3795 3 -16.975000 -23.706000 28.966000 37 " " V H 2 "VAL " " CG2" 6 0 2 1 23.29 3795 37 + 3796 43 -17.057000 -26.980000 27.705000 37 " " V H 2 "VAL " " H " 1 0 2 1 22.5 3796 37 + 3797 41 -19.303000 -25.168000 28.427000 37 " " V H 2 "VAL " " HA " 1 0 2 1 19.02 3797 37 + 3798 41 -16.750000 -24.373000 26.938000 37 " " V H 2 "VAL " " HB " 1 0 2 1 23.81 3798 37 + 3799 41 -17.721000 -22.091000 26.889000 37 " " V H 2 "VAL " "HG11" 1 0 2 1 23.15 3799 37 + 3800 41 -18.729000 -23.257000 25.998000 37 " " V H 2 "VAL " "HG12" 1 0 2 1 23.15 3800 37 + 3801 41 -19.217000 -22.718000 27.623000 37 " " V H 2 "VAL " "HG13" 1 0 2 1 23.15 3801 37 + 3802 41 -16.355000 -22.820000 28.831000 37 " " V H 2 "VAL " "HG21" 1 0 2 1 23.29 3802 37 + 3803 41 -17.781000 -23.482000 29.665000 37 " " V H 2 "VAL " "HG22" 1 0 2 1 23.29 3803 37 + 3804 41 -16.366000 -24.518000 29.363000 37 " " V H 2 "VAL " "HG23" 1 0 2 1 23.29 3804 37 + 3805 25 -20.295000 -25.490000 26.164000 38 " " K H 2 "LYS " " N " 7 0 2 1 21.84 3805 38 + 3806 3 -20.962000 -25.728000 24.873000 38 " " K H 2 "LYS " " CA " 6 0 2 1 22.16 3806 38 + 3807 2 -20.936000 -24.457000 24.020000 38 " " K H 2 "LYS " " C " 6 0 2 1 23.99 3807 38 + 3808 15 -21.164000 -23.364000 24.533000 38 " " K H 2 "LYS " " O " 8 0 2 1 24.5 3808 38 + 3809 3 -22.403000 -26.179000 25.131000 38 " " K H 2 "LYS " " CB " 6 0 2 1 18.75 3809 38 + 3810 3 -23.268000 -26.407000 23.898000 38 " " K H 2 "LYS " " CG " 6 0 2 1 19.44 3810 38 + 3811 3 -24.679000 -26.783000 24.294000 38 " " K H 2 "LYS " " CD " 6 0 2 1 20.64 3811 38 + 3812 3 -25.568000 -26.920000 23.070000 38 " " K H 2 "LYS " " CE " 6 0 2 1 22.83 3812 38 + 3813 32 -26.953000 -27.328000 23.469000 38 " " K H 2 "LYS " " NZ " 7 1 2 1 20.46 3813 38 + 3814 43 -20.850000 -25.071000 26.896000 38 " " K H 2 "LYS " " H " 1 0 2 1 21.84 3814 38 + 3815 41 -20.433000 -26.520000 24.343000 38 " " K H 2 "LYS " " HA " 1 0 2 1 22.16 3815 38 + 3816 41 -22.893000 -25.458000 25.786000 38 " " K H 2 "LYS " " HB3" 1 0 2 1 18.75 3816 38 + 3817 41 -22.393000 -27.086000 25.736000 38 " " K H 2 "LYS " " HB2" 1 0 2 1 18.75 3817 38 + 3818 41 -22.836000 -27.205000 23.294000 38 " " K H 2 "LYS " " HG3" 1 0 2 1 19.44 3818 38 + 3819 41 -23.290000 -25.498000 23.297000 38 " " K H 2 "LYS " " HG2" 1 0 2 1 19.44 3819 38 + 3820 41 -25.087000 -26.018000 24.955000 38 " " K H 2 "LYS " " HD3" 1 0 2 1 20.64 3820 38 + 3821 41 -24.664000 -27.727000 24.839000 38 " " K H 2 "LYS " " HD2" 1 0 2 1 20.64 3821 38 + 3822 41 -25.148000 -27.669000 22.398000 38 " " K H 2 "LYS " " HE3" 1 0 2 1 22.83 3822 38 + 3823 41 -25.608000 -25.967000 22.542000 38 " " K H 2 "LYS " " HE2" 1 0 2 1 22.83 3823 38 + 3824 44 -27.411000 -27.774000 22.687000 38 " " K H 2 "LYS " " HZ1" 1 0 2 1 20.46 3824 38 + 3825 44 -26.904000 -27.975000 24.243000 38 " " K H 2 "LYS " " HZ2" 1 0 2 1 20.46 3825 38 + 3826 44 -27.479000 -26.511000 23.746000 38 " " K H 2 "LYS " " HZ3" 1 0 2 1 20.46 3826 38 + 3827 25 -20.648000 -24.601000 22.728000 39 " " Q H 2 "GLN " " N " 7 0 2 1 23.67 3827 39 + 3828 3 -20.812000 -23.498000 21.779000 39 " " Q H 2 "GLN " " CA " 6 0 2 1 22.5 3828 39 + 3829 2 -21.688000 -23.886000 20.596000 39 " " Q H 2 "GLN " " C " 6 0 2 1 25.23 3829 39 + 3830 15 -21.338000 -24.769000 19.823000 39 " " Q H 2 "GLN " " O " 8 0 2 1 21.49 3830 39 + 3831 3 -19.463000 -22.981000 21.261000 39 " " Q H 2 "GLN " " CB " 6 0 2 1 21.15 3831 39 + 3832 3 -19.605000 -21.701000 20.409000 39 " " Q H 2 "GLN " " CG " 6 0 2 1 23.31 3832 39 + 3833 2 -18.304000 -20.929000 20.252000 39 " " Q H 2 "GLN " " CD " 6 0 2 1 25.87 3833 39 + 3834 15 -17.251000 -21.520000 20.039000 39 " " Q H 2 "GLN " " OE1" 8 0 2 1 24.33 3834 39 + 3835 25 -18.380000 -19.596000 20.342000 39 " " Q H 2 "GLN " " NE2" 7 0 2 1 26.12 3835 39 + 3836 43 -20.308000 -25.487000 22.382000 39 " " Q H 2 "GLN " " H " 1 0 2 1 23.67 3836 39 + 3837 41 -21.304000 -22.678000 22.303000 39 " " Q H 2 "GLN " " HA " 1 0 2 1 22.5 3837 39 + 3838 41 -18.980000 -23.759000 20.669000 39 " " Q H 2 "GLN " " HB3" 1 0 2 1 21.15 3838 39 + 3839 41 -18.803000 -22.783000 22.105000 39 " " Q H 2 "GLN " " HB2" 1 0 2 1 21.15 3839 39 + 3840 41 -20.359000 -21.052000 20.854000 39 " " Q H 2 "GLN " " HG3" 1 0 2 1 23.31 3840 39 + 3841 41 -19.991000 -21.963000 19.424000 39 " " Q H 2 "GLN " " HG2" 1 0 2 1 23.31 3841 39 + 3842 43 -17.546000 -19.035000 20.245000 39 " " Q H 2 "GLN " "HE22" 1 0 2 1 26.12 3842 39 + 3843 43 -19.272000 -19.151000 20.507000 39 " " Q H 2 "GLN " "HE21" 1 0 2 1 26.12 3843 39 + 3844 25 -22.822000 -23.217000 20.454000 40 " " S H 2 "SER " " N " 7 0 0 1 28.75 3844 40 + 3845 3 -23.620000 -23.352000 19.242000 40 " " S H 2 "SER " " CA " 6 0 0 1 36.51 3845 40 + 3846 2 -23.301000 -22.150000 18.352000 40 " " S H 2 "SER " " C " 6 0 0 1 40.68 3846 40 + 3847 15 -22.141000 -21.798000 18.194000 40 " " S H 2 "SER " " O " 8 0 0 1 43.5 3847 40 + 3848 3 -25.108000 -23.457000 19.579000 40 " " S H 2 "SER " " CB " 6 0 0 1 37.59 3848 40 + 3849 16 -25.458000 -22.574000 20.628000 40 " " S H 2 "SER " " OG " 8 0 0 1 38.73 3849 40 + 3850 43 -23.143000 -22.605000 21.190000 40 " " S H 2 "SER " " H " 1 0 0 1 28.75 3850 40 + 3851 41 -23.315000 -24.261000 18.723000 40 " " S H 2 "SER " " HA " 1 0 0 1 36.51 3851 40 + 3852 41 -25.342000 -24.480000 19.873000 40 " " S H 2 "SER " " HB3" 1 0 0 1 37.59 3852 40 + 3853 41 -25.698000 -23.221000 18.694000 40 " " S H 2 "SER " " HB2" 1 0 0 1 37.59 3853 40 + 3854 42 -26.088000 -23.003000 21.211000 40 " " S H 2 "SER " " HG " 1 0 0 1 38.73 3854 40 + 3855 25 -24.325000 -21.542000 17.761000 41 " " H H 2 "HIS " " N " 7 0 0 1 51.66 3855 41 + 3856 3 -24.194000 -20.231000 17.129000 41 " " H H 2 "HIS " " CA " 6 0 0 1 54.04 3856 41 + 3857 2 -25.268000 -19.280000 17.678000 41 " " H H 2 "HIS " " C " 6 0 0 1 52.88 3857 41 + 3858 15 -25.048000 -18.069000 17.766000 41 " " H H 2 "HIS " " O " 8 0 0 1 55.37 3858 41 + 3859 3 -24.275000 -20.345000 15.602000 41 " " H H 2 "HIS " " CB " 6 0 0 1 54.76 3859 41 + 3860 2 -23.897000 -19.086000 14.880000 41 " " H H 2 "HIS " " CG " 6 0 0 1 59.96 3860 41 + 3861 25 -24.803000 -18.081000 14.606000 41 " " H H 2 "HIS " " ND1" 7 0 0 1 62.25 3861 41 + 3862 2 -22.710000 -18.669000 14.375000 41 " " H H 2 "HIS " " CD2" 6 0 0 1 59.63 3862 41 + 3863 2 -24.190000 -17.100000 13.966000 41 " " H H 2 "HIS " " CE1" 6 0 0 1 61.46 3863 41 + 3864 25 -22.920000 -17.433000 13.811000 41 " " H H 2 "HIS " " NE2" 7 0 0 1 60.65 3864 41 + 3865 43 -25.232000 -21.987000 17.739000 41 " " H H 2 "HIS " " H " 1 0 0 1 51.66 3865 41 + 3866 41 -23.216000 -19.825000 17.388000 41 " " H H 2 "HIS " " HA " 1 0 0 1 54.04 3866 41 + 3867 41 -25.285000 -20.637000 15.314000 41 " " H H 2 "HIS " " HB3" 1 0 0 1 54.76 3867 41 + 3868 41 -23.635000 -21.161000 15.266000 41 " " H H 2 "HIS " " HB2" 1 0 0 1 54.76 3868 41 + 3869 43 -25.766000 -18.177000 14.894000 41 " " H H 2 "HIS " " HD1" 1 0 0 1 62.25 3869 41 + 3870 41 -21.834000 -19.294000 14.468000 41 " " H H 2 "HIS " " HD2" 1 0 0 1 59.63 3870 41 + 3871 41 -24.742000 -16.220000 13.670000 41 " " H H 2 "HIS " " HE1" 1 0 0 1 61.46 3871 41 + 3872 25 -26.406000 -19.852000 18.072000 42 " " A H 2 "ALA " " N " 7 0 0 1 51.08 3872 42 + 3873 3 -27.580000 -19.093000 18.528000 42 " " A H 2 "ALA " " CA " 6 0 0 1 53.73 3873 42 + 3874 2 -27.603000 -18.803000 20.038000 42 " " A H 2 "ALA " " C " 6 0 0 1 53.46 3874 42 + 3875 15 -28.266000 -17.858000 20.485000 42 " " A H 2 "ALA " " O " 8 0 0 1 51.69 3875 42 + 3876 3 -28.877000 -19.805000 18.101000 42 " " A H 2 "ALA " " CB " 6 0 0 1 53.61 3876 42 + 3877 43 -26.494000 -20.858000 18.067000 42 " " A H 2 "ALA " " H " 1 0 0 1 51.08 3877 42 + 3878 41 -27.559000 -18.131000 18.017000 42 " " A H 2 "ALA " " HA " 1 0 0 1 53.73 3878 42 + 3879 41 -29.737000 -19.231000 18.446000 42 " " A H 2 "ALA " " HB1" 1 0 0 1 53.61 3879 42 + 3880 41 -28.907000 -19.886000 17.014000 42 " " A H 2 "ALA " " HB2" 1 0 0 1 53.61 3880 42 + 3881 41 -28.906000 -20.802000 18.540000 42 " " A H 2 "ALA " " HB3" 1 0 0 1 53.61 3881 42 + 3882 25 -26.894000 -19.622000 20.814000 43 " " E H 2 "GLU " " N " 7 0 0 1 52.12 3882 43 + 3883 3 -26.806000 -19.445000 22.272000 43 " " E H 2 "GLU " " CA " 6 0 0 1 53.03 3883 43 + 3884 2 -25.335000 -19.361000 22.714000 43 " " E H 2 "GLU " " C " 6 0 0 1 47.57 3884 43 + 3885 15 -24.986000 -19.772000 23.829000 43 " " E H 2 "GLU " " O " 8 0 0 1 46.69 3885 43 + 3886 3 -27.536000 -20.604000 22.975000 43 " " E H 2 "GLU " " CB " 6 0 0 1 58.43 3886 43 + 3887 3 -27.830000 -20.397000 24.467000 43 " " E H 2 "GLU " " CG " 6 0 0 1 65.5 3887 43 + 3888 2 -28.877000 -19.326000 24.746000 43 " " E H 2 "GLU " " CD " 6 0 0 1 69.94 3888 43 + 3889 15 -29.777000 -19.119000 23.903000 43 " " E H 2 "GLU " " OE1" 8 0 0 1 72.85 3889 43 + 3890 18 -28.802000 -18.695000 25.821000 43 " " E H 2 "GLU " " OE2" 8 -1 0 1 71.55 3890 43 + 3891 43 -26.393000 -20.397000 20.405000 43 " " E H 2 "GLU " " H " 1 0 0 1 52.12 3891 43 + 3892 41 -27.302000 -18.511000 22.538000 43 " " E H 2 "GLU " " HA " 1 0 0 1 53.03 3892 43 + 3893 41 -26.963000 -21.522000 22.845000 43 " " E H 2 "GLU " " HB3" 1 0 0 1 58.43 3893 43 + 3894 41 -28.468000 -20.813000 22.450000 43 " " E H 2 "GLU " " HB2" 1 0 0 1 58.43 3894 43 + 3895 41 -26.906000 -20.143000 24.986000 43 " " E H 2 "GLU " " HG3" 1 0 0 1 65.5 3895 43 + 3896 41 -28.153000 -21.341000 24.906000 43 " " E H 2 "GLU " " HG2" 1 0 0 1 65.5 3896 43 + 3897 25 -24.508000 -18.750000 21.857000 44 " " S H 2 "SER " " N " 7 0 0 1 40.8 3897 44 + 3898 3 -23.065000 -19.051000 21.739000 44 " " S H 2 "SER " " CA " 6 0 0 1 37.61 3898 44 + 3899 2 -22.387000 -19.875000 22.872000 44 " " S H 2 "SER " " C " 6 0 0 1 36.04 3899 44 + 3900 15 -22.470000 -21.097000 22.795000 44 " " S H 2 "SER " " O " 8 0 0 1 41.23 3900 44 + 3901 3 -22.237000 -17.881000 21.183000 44 " " S H 2 "SER " " CB " 6 0 0 1 40.77 3901 44 + 3902 16 -21.425000 -18.311000 20.079000 44 " " S H 2 "SER " " OG " 8 0 0 1 37.35 3902 44 + 3903 43 -24.861000 -18.034000 21.238000 44 " " S H 2 "SER " " H " 1 0 0 1 40.8 3903 44 + 3904 41 -23.048000 -19.755000 20.907000 44 " " S H 2 "SER " " HA " 1 0 0 1 37.61 3904 44 + 3905 41 -21.597000 -17.483000 21.970000 44 " " S H 2 "SER " " HB3" 1 0 0 1 40.77 3905 44 + 3906 41 -22.907000 -17.087000 20.853000 44 " " S H 2 "SER " " HB2" 1 0 0 1 40.77 3906 44 + 3907 42 -21.988000 -18.651000 19.380000 44 " " S H 2 "SER " " HG " 1 0 0 1 37.35 3907 44 + 3908 25 -21.768000 -19.276000 23.904000 45 " " L H 2 "LEU " " N " 7 0 2 1 31.43 3908 45 + 3909 3 -21.083000 -20.091000 24.943000 45 " " L H 2 "LEU " " CA " 6 0 2 1 22.59 3909 45 + 3910 2 -21.930000 -20.341000 26.209000 45 " " L H 2 "LEU " " C " 6 0 2 1 29.43 3910 45 + 3911 15 -22.508000 -19.406000 26.771000 45 " " L H 2 "LEU " " O " 8 0 2 1 25.41 3911 45 + 3912 3 -19.725000 -19.491000 25.347000 45 " " L H 2 "LEU " " CB " 6 0 2 1 23.02 3912 45 + 3913 3 -18.652000 -19.313000 24.268000 45 " " L H 2 "LEU " " CG " 6 0 2 1 25.18 3913 45 + 3914 3 -17.752000 -18.172000 24.662000 45 " " L H 2 "LEU " " CD1" 6 0 2 1 24.8 3914 45 + 3915 3 -17.839000 -20.579000 24.032000 45 " " L H 2 "LEU " " CD2" 6 0 2 1 26.75 3915 45 + 3916 43 -21.767000 -18.269000 23.976000 45 " " L H 2 "LEU " " H " 1 0 2 1 31.43 3916 45 + 3917 41 -20.880000 -21.066000 24.499000 45 " " L H 2 "LEU " " HA " 1 0 2 1 22.59 3917 45 + 3918 41 -19.309000 -20.072000 26.170000 45 " " L H 2 "LEU " " HB3" 1 0 2 1 23.02 3918 45 + 3919 41 -19.892000 -18.536000 25.845000 45 " " L H 2 "LEU " " HB2" 1 0 2 1 23.02 3919 45 + 3920 41 -19.149000 -19.048000 23.334000 45 " " L H 2 "LEU " " HG " 1 0 2 1 25.18 3920 45 + 3921 41 -16.983000 -18.035000 23.901000 45 " " L H 2 "LEU " "HD11" 1 0 2 1 24.8 3921 45 + 3922 41 -18.340000 -17.259000 24.752000 45 " " L H 2 "LEU " "HD12" 1 0 2 1 24.8 3922 45 + 3923 41 -17.280000 -18.395000 25.619000 45 " " L H 2 "LEU " "HD13" 1 0 2 1 24.8 3923 45 + 3924 41 -17.094000 -20.394000 23.258000 45 " " L H 2 "LEU " "HD21" 1 0 2 1 26.75 3924 45 + 3925 41 -17.338000 -20.867000 24.956000 45 " " L H 2 "LEU " "HD22" 1 0 2 1 26.75 3925 45 + 3926 41 -18.502000 -21.383000 23.713000 45 " " L H 2 "LEU " "HD23" 1 0 2 1 26.75 3926 45 + 3927 25 -21.983000 -21.599000 26.653000 46 " " E H 2 "GLU " " N " 7 0 2 1 24.66 3927 46 + 3928 3 -22.742000 -21.991000 27.844000 46 " " E H 2 "GLU " " CA " 6 0 2 1 25.99 3928 46 + 3929 2 -21.907000 -22.938000 28.691000 46 " " E H 2 "GLU " " C " 6 0 2 1 23.4 3929 46 + 3930 15 -21.367000 -23.921000 28.190000 46 " " E H 2 "GLU " " O " 8 0 2 1 23.36 3930 46 + 3931 3 -24.029000 -22.729000 27.472000 46 " " E H 2 "GLU " " CB " 6 0 2 1 27.2 3931 46 + 3932 3 -25.079000 -21.916000 26.751000 46 " " E H 2 "GLU " " CG " 6 0 2 1 29.52 3932 46 + 3933 2 -26.330000 -22.748000 26.502000 46 " " E H 2 "GLU " " CD " 6 0 2 1 33.79 3933 46 + 3934 15 -26.271000 -23.682000 25.673000 46 " " E H 2 "GLU " " OE1" 8 0 2 1 35.7 3934 46 + 3935 18 -27.359000 -22.471000 27.147000 46 " " E H 2 "GLU " " OE2" 8 -1 2 1 36.34 3935 46 + 3936 43 -21.486000 -22.329000 26.163000 46 " " E H 2 "GLU " " H " 1 0 2 1 24.66 3936 46 + 3937 41 -22.988000 -21.103000 28.427000 46 " " E H 2 "GLU " " HA " 1 0 2 1 25.99 3937 46 + 3938 41 -24.466000 -23.165000 28.371000 46 " " E H 2 "GLU " " HB3" 1 0 2 1 27.2 3938 46 + 3939 41 -23.780000 -23.606000 26.874000 46 " " E H 2 "GLU " " HB2" 1 0 2 1 27.2 3939 46 + 3940 41 -24.678000 -21.569000 25.799000 46 " " E H 2 "GLU " " HG3" 1 0 2 1 29.52 3940 46 + 3941 41 -25.337000 -21.043000 27.351000 46 " " E H 2 "GLU " " HG2" 1 0 2 1 29.52 3941 46 + 3942 25 -21.817000 -22.642000 29.978000 47 " " W H 2 "TRP " " N " 7 0 2 1 21.55 3942 47 + 3943 3 -21.042000 -23.460000 30.903000 47 " " W H 2 "TRP " " CA " 6 0 2 1 21.58 3943 47 + 3944 2 -21.866000 -24.674000 31.304000 47 " " W H 2 "TRP " " C " 6 0 2 1 20.92 3944 47 + 3945 15 -23.015000 -24.542000 31.745000 47 " " W H 2 "TRP " " O " 8 0 2 1 21.53 3945 47 + 3946 3 -20.676000 -22.618000 32.125000 47 " " W H 2 "TRP " " CB " 6 0 2 1 22.42 3946 47 + 3947 2 -19.859000 -23.277000 33.180000 47 " " W H 2 "TRP " " CG " 6 0 2 1 20.79 3947 47 + 3948 2 -18.496000 -23.383000 33.218000 47 " " W H 2 "TRP " " CD1" 6 0 2 1 21.31 3948 47 + 3949 2 -20.344000 -23.867000 34.395000 47 " " W H 2 "TRP " " CD2" 6 0 2 1 19.26 3949 47 + 3950 25 -18.106000 -24.026000 34.373000 47 " " W H 2 "TRP " " NE1" 7 0 2 1 19.27 3950 47 + 3951 2 -19.218000 -24.321000 35.117000 47 " " W H 2 "TRP " " CE2" 6 0 2 1 19.8 3951 47 + 3952 2 -21.629000 -24.071000 34.935000 47 " " W H 2 "TRP " " CE3" 6 0 2 1 19.42 3952 47 + 3953 2 -19.326000 -24.980000 36.360000 47 " " W H 2 "TRP " " CZ2" 6 0 2 1 19.38 3953 47 + 3954 2 -21.735000 -24.707000 36.187000 47 " " W H 2 "TRP " " CZ3" 6 0 2 1 21.05 3954 47 + 3955 2 -20.587000 -25.159000 36.875000 47 " " W H 2 "TRP " " CH2" 6 0 2 1 20.69 3955 47 + 3956 43 -22.293000 -21.830000 30.344000 47 " " W H 2 "TRP " " H " 1 0 2 1 21.55 3956 47 + 3957 41 -20.129000 -23.793000 30.410000 47 " " W H 2 "TRP " " HA " 1 0 2 1 21.58 3957 47 + 3958 41 -21.587000 -22.221000 32.573000 47 " " W H 2 "TRP " " HB3" 1 0 2 1 22.42 3958 47 + 3959 41 -20.171000 -21.710000 31.796000 47 " " W H 2 "TRP " " HB2" 1 0 2 1 22.42 3959 47 + 3960 41 -17.901000 -22.987000 32.409000 47 " " W H 2 "TRP " " HD1" 1 0 2 1 21.31 3960 47 + 3961 43 -17.127000 -24.203000 34.546000 47 " " W H 2 "TRP " " HE1" 1 0 2 1 19.27 3961 47 + 3962 41 -22.502000 -23.742000 34.391000 47 " " W H 2 "TRP " " HE3" 1 0 2 1 19.42 3962 47 + 3963 41 -18.437000 -25.322000 36.869000 47 " " W H 2 "TRP " " HZ2" 1 0 2 1 19.38 3963 47 + 3964 41 -22.706000 -24.856000 36.636000 47 " " W H 2 "TRP " " HZ3" 1 0 2 1 21.05 3964 47 + 3965 41 -20.717000 -25.655000 37.826000 47 " " W H 2 "TRP " " HH2" 1 0 2 1 20.69 3965 47 + 3966 25 -21.278000 -25.856000 31.124000 48 " " I H 2 "ILE " " N " 7 0 2 1 19.77 3966 48 + 3967 3 -21.951000 -27.124000 31.422000 48 " " I H 2 "ILE " " CA " 6 0 2 1 20.19 3967 48 + 3968 2 -21.694000 -27.565000 32.861000 48 " " I H 2 "ILE " " C " 6 0 2 1 19.05 3968 48 + 3969 15 -22.622000 -27.924000 33.593000 48 " " I H 2 "ILE " " O " 8 0 2 1 17.64 3969 48 + 3970 3 -21.499000 -28.233000 30.442000 48 " " I H 2 "ILE " " CB " 6 0 2 1 18.79 3970 48 + 3971 3 -21.943000 -27.909000 29.017000 48 " " I H 2 "ILE " " CG1" 6 0 2 1 22.69 3971 48 + 3972 3 -22.029000 -29.624000 30.879000 48 " " I H 2 "ILE " " CG2" 6 0 2 1 19.93 3972 48 + 3973 3 -21.297000 -28.839000 27.959000 48 " " I H 2 "ILE " " CD1" 6 0 2 1 20.78 3973 48 + 3974 43 -20.333000 -25.901000 30.770000 48 " " I H 2 "ILE " " H " 1 0 2 1 19.77 3974 48 + 3975 41 -23.024000 -26.977000 31.298000 48 " " I H 2 "ILE " " HA " 1 0 2 1 20.19 3975 48 + 3976 41 -20.410000 -28.269000 30.455000 48 " " I H 2 "ILE " " HB " 1 0 2 1 18.79 3976 48 + 3977 41 -21.696000 -26.873000 28.787000 48 " " I H 2 "ILE " "HG13" 1 0 2 1 22.69 3977 48 + 3978 41 -23.028000 -27.983000 28.950000 48 " " I H 2 "ILE " "HG12" 1 0 2 1 22.69 3978 48 + 3979 41 -21.694000 -30.380000 30.169000 48 " " I H 2 "ILE " "HG21" 1 0 2 1 19.93 3979 48 + 3980 41 -21.648000 -29.863000 31.872000 48 " " I H 2 "ILE " "HG22" 1 0 2 1 19.93 3980 48 + 3981 41 -23.119000 -29.607000 30.903000 48 " " I H 2 "ILE " "HG23" 1 0 2 1 19.93 3981 48 + 3982 41 -21.650000 -28.561000 26.966000 48 " " I H 2 "ILE " "HD11" 1 0 2 1 20.78 3982 48 + 3983 41 -20.212000 -28.738000 28.000000 48 " " I H 2 "ILE " "HD12" 1 0 2 1 20.78 3983 48 + 3984 41 -21.574000 -29.873000 28.166000 48 " " I H 2 "ILE " "HD13" 1 0 2 1 20.78 3984 48 + 3985 25 -20.426000 -27.545000 33.266000 49 " " G H 2 "GLY " " N " 7 0 2 1 18.56 3985 49 + 3986 3 -20.092000 -27.967000 34.618000 49 " " G H 2 "GLY " " CA " 6 0 2 1 20.16 3986 49 + 3987 2 -18.601000 -28.004000 34.820000 49 " " G H 2 "GLY " " C " 6 0 2 1 19.97 3987 49 + 3988 15 -17.836000 -27.668000 33.916000 49 " " G H 2 "GLY " " O " 8 0 2 1 21.94 3988 49 + 3989 43 -19.699000 -27.238000 32.636000 49 " " G H 2 "GLY " " H " 1 0 2 1 18.56 3989 49 + 3990 41 -20.508000 -28.958000 34.802000 49 " " G H 2 "GLY " " HA3" 1 0 2 1 20.16 3990 49 + 3991 41 -20.538000 -27.277000 35.334000 49 " " G H 2 "GLY " " HA2" 1 0 2 1 20.16 3991 49 + 3992 25 -18.199000 -28.423000 36.010000 50 " " V H 2 "VAL " " N " 7 0 2 1 20.68 3992 50 + 3993 3 -16.791000 -28.510000 36.371000 50 " " V H 2 "VAL " " CA " 6 0 2 1 18.31 3993 50 + 3994 2 -16.558000 -29.795000 37.147000 50 " " V H 2 "VAL " " C " 6 0 2 1 20.89 3994 50 + 3995 15 -17.423000 -30.241000 37.914000 50 " " V H 2 "VAL " " O " 8 0 2 1 19.71 3995 50 + 3996 3 -16.323000 -27.241000 37.186000 50 " " V H 2 "VAL " " CB " 6 0 2 1 17.33 3996 50 + 3997 3 -17.137000 -27.052000 38.476000 50 " " V H 2 "VAL " " CG1" 6 0 2 1 19.77 3997 50 + 3998 3 -14.812000 -27.288000 37.496000 50 " " V H 2 "VAL " " CG2" 6 0 2 1 17.94 3998 50 + 3999 43 -18.879000 -28.696000 36.705000 50 " " V H 2 "VAL " " H " 1 0 2 1 20.68 3999 50 + 4000 41 -16.207000 -28.558000 35.452000 50 " " V H 2 "VAL " " HA " 1 0 2 1 18.31 4000 50 + 4001 41 -16.500000 -26.367000 36.558000 50 " " V H 2 "VAL " " HB " 1 0 2 1 17.33 4001 50 + 4002 41 -16.781000 -26.168000 39.005000 50 " " V H 2 "VAL " "HG11" 1 0 2 1 19.77 4002 50 + 4003 41 -18.190000 -26.926000 38.226000 50 " " V H 2 "VAL " "HG12" 1 0 2 1 19.77 4003 50 + 4004 41 -17.018000 -27.928000 39.113000 50 " " V H 2 "VAL " "HG13" 1 0 2 1 19.77 4004 50 + 4005 41 -14.528000 -26.398000 38.058000 50 " " V H 2 "VAL " "HG21" 1 0 2 1 17.94 4005 50 + 4006 41 -14.589000 -28.176000 38.087000 50 " " V H 2 "VAL " "HG22" 1 0 2 1 17.94 4006 50 + 4007 41 -14.250000 -27.323000 36.563000 50 " " V H 2 "VAL " "HG23" 1 0 2 1 17.94 4007 50 + 4008 25 -15.403000 -30.405000 36.908000 51 " " I H 2 "ILE " " N " 7 0 2 1 19.14 4008 51 + 4009 3 -14.932000 -31.518000 37.724000 51 " " I H 2 "ILE " " CA " 6 0 2 1 21.36 4009 51 + 4010 2 -13.581000 -31.150000 38.338000 51 " " I H 2 "ILE " " C " 6 0 2 1 22.11 4010 51 + 4011 15 -12.730000 -30.538000 37.687000 51 " " I H 2 "ILE " " O " 8 0 2 1 19.67 4011 51 + 4012 3 -14.865000 -32.867000 36.925000 51 " " I H 2 "ILE " " CB " 6 0 2 1 21.45 4012 51 + 4013 3 -14.425000 -34.018000 37.836000 51 " " I H 2 "ILE " " CG1" 6 0 2 1 21.48 4013 51 + 4014 3 -13.958000 -32.737000 35.684000 51 " " I H 2 "ILE " " CG2" 6 0 2 1 22.62 4014 51 + 4015 3 -14.840000 -35.407000 37.359000 51 " " I H 2 "ILE " " CD1" 6 0 2 1 24.77 4015 51 + 4016 43 -14.821000 -30.101000 36.141000 51 " " I H 2 "ILE " " H " 1 0 2 1 19.14 4016 51 + 4017 41 -15.641000 -31.652000 38.541000 51 " " I H 2 "ILE " " HA " 1 0 2 1 21.36 4017 51 + 4018 41 -15.872000 -33.092000 36.574000 51 " " I H 2 "ILE " " HB " 1 0 2 1 21.45 4018 51 + 4019 41 -14.813000 -33.851000 38.841000 51 " " I H 2 "ILE " "HG13" 1 0 2 1 21.48 4019 51 + 4020 41 -13.342000 -33.987000 37.959000 51 " " I H 2 "ILE " "HG12" 1 0 2 1 21.48 4020 51 + 4021 41 -13.932000 -33.688000 35.151000 51 " " I H 2 "ILE " "HG21" 1 0 2 1 22.62 4021 51 + 4022 41 -14.351000 -31.963000 35.025000 51 " " I H 2 "ILE " "HG22" 1 0 2 1 22.62 4022 51 + 4023 41 -12.949000 -32.469000 35.997000 51 " " I H 2 "ILE " "HG23" 1 0 2 1 22.62 4023 51 + 4024 41 -14.485000 -36.156000 38.067000 51 " " I H 2 "ILE " "HD11" 1 0 2 1 24.77 4024 51 + 4025 41 -15.927000 -35.459000 37.291000 51 " " I H 2 "ILE " "HD12" 1 0 2 1 24.77 4025 51 + 4026 41 -14.405000 -35.600000 36.378000 51 " " I H 2 "ILE " "HD13" 1 0 2 1 24.77 4026 51 + 4027 25 -13.394000 -31.542000 39.592000 52 " " R H 2 "ARG " " N " 7 0 2 1 21.98 4027 52 + 4028 3 -12.159000 -31.275000 40.325000 52 " " R H 2 "ARG " " CA " 6 0 2 1 22.47 4028 52 + 4029 2 -11.464000 -32.601000 40.583000 52 " " R H 2 "ARG " " C " 6 0 2 1 21.86 4029 52 + 4030 15 -11.846000 -33.334000 41.499000 52 " " R H 2 "ARG " " O " 8 0 2 1 22.6 4030 52 + 4031 3 -12.470000 -30.502000 41.613000 52 " " R H 2 "ARG " " CB " 6 0 2 1 22.66 4031 52 + 4032 3 -13.117000 -29.150000 41.283000 52 " " R H 2 "ARG " " CG " 6 0 2 1 24.24 4032 52 + 4033 3 -13.426000 -28.251000 42.482000 52 " " R H 2 "ARG " " CD " 6 0 2 1 32.08 4033 52 + 4034 25 -14.435000 -27.249000 42.108000 52 " " R H 2 "ARG " " NE " 7 0 2 1 39.47 4034 52 + 4035 2 -14.202000 -26.131000 41.418000 52 " " R H 2 "ARG " " CZ " 6 0 2 1 43.48 4035 52 + 4036 25 -12.976000 -25.814000 41.008000 52 " " R H 2 "ARG " " NH1" 7 0 2 1 50.57 4036 52 + 4037 31 -15.204000 -25.312000 41.137000 52 " " R H 2 "ARG " " NH2" 7 1 2 1 43.07 4037 52 + 4038 43 -14.122000 -32.046000 40.077000 52 " " R H 2 "ARG " " H " 1 0 2 1 21.98 4038 52 + 4039 41 -11.511000 -30.660000 39.700000 52 " " R H 2 "ARG " " HA " 1 0 2 1 22.47 4039 52 + 4040 41 -11.547000 -30.337000 42.169000 52 " " R H 2 "ARG " " HB3" 1 0 2 1 22.66 4040 52 + 4041 41 -13.149000 -31.088000 42.233000 52 " " R H 2 "ARG " " HB2" 1 0 2 1 22.66 4041 52 + 4042 41 -14.031000 -29.318000 40.714000 52 " " R H 2 "ARG " " HG3" 1 0 2 1 24.24 4042 52 + 4043 41 -12.482000 -28.609000 40.582000 52 " " R H 2 "ARG " " HG2" 1 0 2 1 24.24 4043 52 + 4044 41 -12.514000 -27.746000 42.802000 52 " " R H 2 "ARG " " HD3" 1 0 2 1 32.08 4044 52 + 4045 41 -13.805000 -28.859000 43.303000 52 " " R H 2 "ARG " " HD2" 1 0 2 1 32.08 4045 52 + 4046 43 -15.371000 -27.464000 42.420000 52 " " R H 2 "ARG " " HE " 1 0 2 1 39.47 4046 52 + 4047 43 -12.822000 -24.963000 40.487000 52 " " R H 2 "ARG " "HH12" 1 0 2 1 50.57 4047 52 + 4048 43 -12.200000 -26.425000 41.218000 52 " " R H 2 "ARG " "HH11" 1 0 2 1 50.57 4048 52 + 4049 44 -15.032000 -24.465000 40.615000 52 " " R H 2 "ARG " "HH22" 1 0 2 1 43.07 4049 52 + 4050 44 -16.140000 -25.535000 41.445000 52 " " R H 2 "ARG " "HH21" 1 0 2 1 43.07 4050 52 + 4051 25 -10.464000 -32.936000 39.740000 53 " " P H 2 "PRO " " N " 7 0 0 1 23.48 4051 53 + 4052 3 -9.785000 -34.247000 39.808000 53 " " P H 2 "PRO " " CA " 6 0 0 1 24.26 4052 53 + 4053 2 -9.205000 -34.528000 41.188000 53 " " P H 2 "PRO " " C " 6 0 0 1 24.39 4053 53 + 4054 15 -9.184000 -35.684000 41.626000 53 " " P H 2 "PRO " " O " 8 0 0 1 22.75 4054 53 + 4055 3 -8.654000 -34.109000 38.782000 53 " " P H 2 "PRO " " CB " 6 0 0 1 22.43 4055 53 + 4056 3 -9.166000 -33.094000 37.803000 53 " " P H 2 "PRO " " CG " 6 0 0 1 24.19 4056 53 + 4057 3 -9.907000 -32.096000 38.661000 53 " " P H 2 "PRO " " CD " 6 0 0 1 22.85 4057 53 + 4058 41 -10.468000 -35.044000 39.514000 53 " " P H 2 "PRO " " HA " 1 0 0 1 24.26 4058 53 + 4059 41 -8.511000 -35.062000 38.272000 53 " " P H 2 "PRO " " HB3" 1 0 0 1 22.43 4059 53 + 4060 41 -7.765000 -33.717000 39.276000 53 " " P H 2 "PRO " " HB2" 1 0 0 1 22.43 4060 53 + 4061 41 -9.867000 -33.573000 37.120000 53 " " P H 2 "PRO " " HG3" 1 0 0 1 24.19 4061 53 + 4062 41 -8.322000 -32.600000 37.322000 53 " " P H 2 "PRO " " HG2" 1 0 0 1 24.19 4062 53 + 4063 41 -9.195000 -31.389000 39.087000 53 " " P H 2 "PRO " " HD2" 1 0 0 1 22.85 4063 53 + 4064 41 -10.724000 -31.663000 38.084000 53 " " P H 2 "PRO " " HD3" 1 0 0 1 22.85 4064 53 + 4065 25 -8.759000 -33.477000 41.877000 54 " " Y H 2 "TYR " " N " 7 0 0 1 23.05 4065 54 + 4066 3 -8.115000 -33.636000 43.187000 54 " " Y H 2 "TYR " " CA " 6 0 0 1 22.47 4066 54 + 4067 2 -9.065000 -34.101000 44.285000 54 " " Y H 2 "TYR " " C " 6 0 0 1 26.49 4067 54 + 4068 15 -8.641000 -34.740000 45.260000 54 " " Y H 2 "TYR " " O " 8 0 0 1 25.16 4068 54 + 4069 3 -7.409000 -32.344000 43.613000 54 " " Y H 2 "TYR " " CB " 6 0 0 1 22.32 4069 54 + 4070 2 -8.210000 -31.071000 43.435000 54 " " Y H 2 "TYR " " CG " 6 0 0 1 21.82 4070 54 + 4071 2 -9.009000 -30.568000 44.469000 54 " " Y H 2 "TYR " " CD1" 6 0 0 1 19.36 4071 54 + 4072 2 -8.145000 -30.351000 42.238000 54 " " Y H 2 "TYR " " CD2" 6 0 0 1 18.74 4072 54 + 4073 2 -9.740000 -29.391000 44.300000 54 " " Y H 2 "TYR " " CE1" 6 0 0 1 21.7 4073 54 + 4074 2 -8.875000 -29.171000 42.055000 54 " " Y H 2 "TYR " " CE2" 6 0 0 1 22.9 4074 54 + 4075 2 -9.657000 -28.692000 43.095000 54 " " Y H 2 "TYR " " CZ " 6 0 0 1 24.81 4075 54 + 4076 16 -10.350000 -27.519000 42.923000 54 " " Y H 2 "TYR " " OH " 8 0 0 1 25.2 4076 54 + 4077 43 -8.861000 -32.546000 41.500000 54 " " Y H 2 "TYR " " H " 1 0 0 1 23.05 4077 54 + 4078 41 -7.348000 -34.402000 43.078000 54 " " Y H 2 "TYR " " HA " 1 0 0 1 22.47 4078 54 + 4079 41 -6.466000 -32.254000 43.074000 54 " " Y H 2 "TYR " " HB3" 1 0 0 1 22.32 4079 54 + 4080 41 -7.097000 -32.431000 44.654000 54 " " Y H 2 "TYR " " HB2" 1 0 0 1 22.32 4080 54 + 4081 41 -9.065000 -31.092000 45.412000 54 " " Y H 2 "TYR " " HD1" 1 0 0 1 19.36 4081 54 + 4082 41 -7.521000 -30.703000 41.429000 54 " " Y H 2 "TYR " " HD2" 1 0 0 1 18.74 4082 54 + 4083 41 -10.366000 -29.025000 45.100000 54 " " Y H 2 "TYR " " HE1" 1 0 0 1 21.7 4083 54 + 4084 41 -8.825000 -28.646000 41.113000 54 " " Y H 2 "TYR " " HE2" 1 0 0 1 22.9 4084 54 + 4085 42 -10.808000 -27.295000 43.737000 54 " " Y H 2 "TYR " " HH " 1 0 0 1 25.2 4085 54 + 4086 25 -10.345000 -33.781000 44.134000 55 " " S H 2 "SER " " N " 7 0 0 1 25.11 4086 55 + 4087 3 -11.346000 -34.136000 45.147000 55 " " S H 2 "SER " " CA " 6 0 0 1 28.42 4087 55 + 4088 2 -12.418000 -35.096000 44.613000 55 " " S H 2 "SER " " C " 6 0 0 1 30.01 4088 55 + 4089 15 -13.117000 -35.760000 45.393000 55 " " S H 2 "SER " " O " 8 0 0 1 30.35 4089 55 + 4090 3 -11.999000 -32.871000 45.712000 55 " " S H 2 "SER " " CB " 6 0 0 1 26.92 4090 55 + 4091 16 -12.731000 -32.200000 44.706000 55 " " S H 2 "SER " " OG " 8 0 0 1 26.68 4091 55 + 4092 43 -10.647000 -33.283000 43.309000 55 " " S H 2 "SER " " H " 1 0 0 1 25.11 4092 55 + 4093 41 -10.828000 -34.637000 45.965000 55 " " S H 2 "SER " " HA " 1 0 0 1 28.42 4093 55 + 4094 41 -11.227000 -32.208000 46.103000 55 " " S H 2 "SER " " HB3" 1 0 0 1 26.92 4094 55 + 4095 41 -12.668000 -33.142000 46.529000 55 " " S H 2 "SER " " HB2" 1 0 0 1 26.92 4095 55 + 4096 42 -12.740000 -31.258000 44.891000 55 " " S H 2 "SER " " HG " 1 0 0 1 26.68 4096 55 + 4097 25 -12.535000 -35.176000 43.291000 55 "A" G H 2 "GLY " " N " 7 0 0 1 27.42 4097 56 + 4098 3 -13.581000 -35.976000 42.641000 55 "A" G H 2 "GLY " " CA " 6 0 0 1 30.56 4098 56 + 4099 2 -14.928000 -35.268000 42.571000 55 "A" G H 2 "GLY " " C " 6 0 0 1 27.6 4099 56 + 4100 15 -15.899000 -35.825000 42.069000 55 "A" G H 2 "GLY " " O " 8 0 0 1 29.81 4100 56 + 4101 43 -11.891000 -34.676000 42.696000 55 "A" G H 2 "GLY " " H " 1 0 0 1 27.42 4101 56 + 4102 41 -13.696000 -36.921000 43.172000 55 "A" G H 2 "GLY " " HA3" 1 0 0 1 30.56 4102 56 + 4103 41 -13.260000 -36.242000 41.634000 55 "A" G H 2 "GLY " " HA2" 1 0 0 1 30.56 4103 56 + 4104 25 -14.977000 -34.039000 43.076000 56 " " E H 2 "GLU " " N " 7 0 2 1 23.5 4104 57 + 4105 3 -16.195000 -33.234000 43.128000 56 " " E H 2 "GLU " " CA " 6 0 2 1 24.84 4105 57 + 4106 2 -16.643000 -32.759000 41.746000 56 " " E H 2 "GLU " " C " 6 0 2 1 24.37 4106 57 + 4107 15 -15.823000 -32.327000 40.934000 56 " " E H 2 "GLU " " O " 8 0 2 1 22.41 4107 57 + 4108 3 -15.962000 -32.021000 44.033000 56 " " E H 2 "GLU " " CB " 6 0 2 1 31.13 4108 57 + 4109 3 -17.225000 -31.307000 44.485000 56 " " E H 2 "GLU " " CG " 6 0 2 1 42.83 4109 57 + 4110 2 -16.995000 -29.843000 44.828000 56 " " E H 2 "GLU " " CD " 6 0 2 1 50.27 4110 57 + 4111 15 -15.879000 -29.490000 45.274000 56 " " E H 2 "GLU " " OE1" 8 0 2 1 56.53 4111 57 + 4112 18 -17.941000 -29.039000 44.663000 56 " " E H 2 "GLU " " OE2" 8 -1 2 1 52.31 4112 57 + 4113 43 -14.141000 -33.614000 43.451000 56 " " E H 2 "GLU " " H " 1 0 2 1 23.5 4113 57 + 4114 41 -16.991000 -33.840000 43.560000 56 " " E H 2 "GLU " " HA " 1 0 2 1 24.84 4114 57 + 4115 41 -15.309000 -31.312000 43.524000 56 " " E H 2 "GLU " " HB3" 1 0 2 1 31.13 4115 57 + 4116 41 -15.389000 -32.328000 44.908000 56 " " E H 2 "GLU " " HB2" 1 0 2 1 31.13 4116 57 + 4117 41 -17.641000 -31.821000 45.352000 56 " " E H 2 "GLU " " HG3" 1 0 2 1 42.83 4117 57 + 4118 41 -17.982000 -31.381000 43.704000 56 " " E H 2 "GLU " " HG2" 1 0 2 1 42.83 4118 57 + 4119 25 -17.952000 -32.818000 41.502000 57 " " T H 2 "THR " " N " 7 0 2 1 23.03 4119 58 + 4120 3 -18.548000 -32.258000 40.289000 57 " " T H 2 "THR " " CA " 6 0 2 1 25.45 4120 58 + 4121 2 -19.632000 -31.227000 40.642000 57 " " T H 2 "THR " " C " 6 0 2 1 27.59 4121 58 + 4122 15 -20.324000 -31.367000 41.654000 57 " " T H 2 "THR " " O " 8 0 2 1 25.63 4122 58 + 4123 3 -19.164000 -33.367000 39.394000 57 " " T H 2 "THR " " CB " 6 0 2 1 26 4123 58 + 4124 16 -19.995000 -34.225000 40.189000 57 " " T H 2 "THR " " OG1" 8 0 2 1 26.5 4124 58 + 4125 3 -18.083000 -34.209000 38.754000 57 " " T H 2 "THR " " CG2" 6 0 2 1 25.11 4125 58 + 4126 43 -18.570000 -33.261000 42.167000 57 " " T H 2 "THR " " H " 1 0 2 1 23.03 4126 58 + 4127 41 -17.765000 -31.754000 39.722000 57 " " T H 2 "THR " " HA " 1 0 2 1 25.45 4127 58 + 4128 41 -19.768000 -32.904000 38.614000 57 " " T H 2 "THR " " HB " 1 0 2 1 26 4128 58 + 4129 42 -20.700000 -33.709000 40.587000 57 " " T H 2 "THR " " HG1" 1 0 2 1 26.5 4129 58 + 4130 41 -18.541000 -34.978000 38.132000 57 " " T H 2 "THR " "HG21" 1 0 2 1 25.11 4130 58 + 4131 41 -17.446000 -33.576000 38.137000 57 " " T H 2 "THR " "HG22" 1 0 2 1 25.11 4131 58 + 4132 41 -17.482000 -34.681000 39.531000 57 " " T H 2 "THR " "HG23" 1 0 2 1 25.11 4132 58 + 4133 25 -19.750000 -30.193000 39.812000 58 " " N H 2 "ASN " " N " 7 0 2 1 26.25 4133 59 + 4134 3 -20.849000 -29.228000 39.870000 58 " " N H 2 "ASN " " CA " 6 0 2 1 26.35 4134 59 + 4135 2 -21.393000 -29.034000 38.462000 58 " " N H 2 "ASN " " C " 6 0 2 1 24.01 4135 59 + 4136 15 -20.629000 -28.726000 37.543000 58 " " N H 2 "ASN " " O " 8 0 2 1 19.45 4136 59 + 4137 3 -20.380000 -27.878000 40.423000 58 " " N H 2 "ASN " " CB " 6 0 2 1 31.17 4137 59 + 4138 2 -19.991000 -27.942000 41.883000 58 " " N H 2 "ASN " " CG " 6 0 2 1 41.93 4138 59 + 4139 15 -20.814000 -28.250000 42.751000 58 " " N H 2 "ASN " " OD1" 8 0 2 1 47.96 4139 59 + 4140 25 -18.735000 -27.633000 42.168000 58 " " N H 2 "ASN " " ND2" 7 0 2 1 44.51 4140 59 + 4141 43 -19.058000 -30.041000 39.093000 58 " " N H 2 "ASN " " H " 1 0 2 1 26.25 4141 59 + 4142 41 -21.639000 -29.622000 40.509000 58 " " N H 2 "ASN " " HA " 1 0 2 1 26.35 4142 59 + 4143 41 -21.170000 -27.138000 40.291000 58 " " N H 2 "ASN " " HB3" 1 0 2 1 31.17 4143 59 + 4144 41 -19.532000 -27.522000 39.838000 58 " " N H 2 "ASN " " HB2" 1 0 2 1 31.17 4144 59 + 4145 43 -18.414000 -27.657000 43.125000 58 " " N H 2 "ASN " "HD22" 1 0 2 1 44.51 4145 59 + 4146 43 -18.098000 -27.373000 41.428000 58 " " N H 2 "ASN " "HD21" 1 0 2 1 44.51 4146 59 + 4147 25 -22.699000 -29.232000 38.297000 59 " " Y H 2 "TYR " " N " 7 0 2 1 19.41 4147 60 + 4148 3 -23.373000 -29.107000 37.000000 59 " " Y H 2 "TYR " " CA " 6 0 2 1 21.19 4148 60 + 4149 2 -24.267000 -27.878000 36.919000 59 " " Y H 2 "TYR " " C " 6 0 2 1 22.32 4149 60 + 4150 15 -24.961000 -27.541000 37.881000 59 " " Y H 2 "TYR " " O " 8 0 2 1 22.43 4150 60 + 4151 3 -24.258000 -30.331000 36.716000 59 " " Y H 2 "TYR " " CB " 6 0 2 1 23.44 4151 60 + 4152 2 -23.515000 -31.639000 36.599000 59 " " Y H 2 "TYR " " CG " 6 0 2 1 23.53 4152 60 + 4153 2 -23.188000 -32.371000 37.731000 59 " " Y H 2 "TYR " " CD1" 6 0 2 1 24.37 4153 60 + 4154 2 -23.169000 -32.158000 35.353000 59 " " Y H 2 "TYR " " CD2" 6 0 2 1 24.81 4154 60 + 4155 2 -22.511000 -33.577000 37.633000 59 " " Y H 2 "TYR " " CE1" 6 0 2 1 25.11 4155 60 + 4156 2 -22.491000 -33.376000 35.245000 59 " " Y H 2 "TYR " " CE2" 6 0 2 1 24.43 4156 60 + 4157 2 -22.163000 -34.074000 36.395000 59 " " Y H 2 "TYR " " CZ " 6 0 2 1 24.63 4157 60 + 4158 16 -21.491000 -35.283000 36.329000 59 " " Y H 2 "TYR " " OH " 8 0 2 1 25.63 4158 60 + 4159 43 -23.276000 -29.481000 39.088000 59 " " Y H 2 "TYR " " H " 1 0 2 1 19.41 4159 60 + 4160 41 -22.615000 -29.038000 36.220000 59 " " Y H 2 "TYR " " HA " 1 0 2 1 21.19 4160 60 + 4161 41 -24.830000 -30.159000 35.805000 59 " " Y H 2 "TYR " " HB3" 1 0 2 1 23.44 4161 60 + 4162 41 -25.017000 -30.416000 37.494000 59 " " Y H 2 "TYR " " HB2" 1 0 2 1 23.44 4162 60 + 4163 41 -23.461000 -32.004000 38.709000 59 " " Y H 2 "TYR " " HD1" 1 0 2 1 24.37 4163 60 + 4164 41 -23.424000 -31.618000 34.453000 59 " " Y H 2 "TYR " " HD2" 1 0 2 1 24.81 4164 60 + 4165 41 -22.256000 -34.127000 38.527000 59 " " Y H 2 "TYR " " HE1" 1 0 2 1 25.11 4165 60 + 4166 41 -22.228000 -33.763000 34.272000 59 " " Y H 2 "TYR " " HE2" 1 0 2 1 24.43 4166 60 + 4167 42 -21.356000 -35.623000 37.216000 59 " " Y H 2 "TYR " " HH " 1 0 2 1 25.63 4167 60 + 4168 25 -24.272000 -27.231000 35.752000 60 " " N H 2 "ASN " " N " 7 0 0 1 23.05 4168 61 + 4169 3 -25.318000 -26.269000 35.393000 60 " " N H 2 "ASN " " CA " 6 0 0 1 19.64 4169 61 + 4170 2 -26.639000 -27.027000 35.456000 60 " " N H 2 "ASN " " C " 6 0 0 1 24.39 4170 61 + 4171 15 -26.752000 -28.110000 34.866000 60 " " N H 2 "ASN " " O " 8 0 0 1 22.78 4171 61 + 4172 3 -25.077000 -25.754000 33.962000 60 " " N H 2 "ASN " " CB " 6 0 0 1 20.84 4172 61 + 4173 2 -25.957000 -24.564000 33.584000 60 " " N H 2 "ASN " " CG " 6 0 0 1 22.16 4173 61 + 4174 15 -27.087000 -24.413000 34.064000 60 " " N H 2 "ASN " " OD1" 8 0 0 1 24.02 4174 61 + 4175 25 -25.437000 -23.707000 32.705000 60 " " N H 2 "ASN " " ND2" 7 0 0 1 19.32 4175 61 + 4176 43 -23.537000 -27.397000 35.079000 60 " " N H 2 "ASN " " H " 1 0 0 1 23.05 4176 61 + 4177 41 -25.325000 -25.438000 36.098000 60 " " N H 2 "ASN " " HA " 1 0 0 1 19.64 4177 61 + 4178 41 -25.242000 -26.565000 33.253000 60 " " N H 2 "ASN " " HB3" 1 0 0 1 20.84 4178 61 + 4179 41 -24.028000 -25.479000 33.848000 60 " " N H 2 "ASN " " HB2" 1 0 0 1 20.84 4179 61 + 4180 43 -25.968000 -22.899000 32.413000 60 " " N H 2 "ASN " "HD22" 1 0 0 1 19.32 4180 61 + 4181 43 -24.512000 -23.866000 32.331000 60 " " N H 2 "ASN " "HD21" 1 0 0 1 19.32 4181 61 + 4182 25 -27.622000 -26.492000 36.184000 61 " " Q H 2 "GLN " " N " 7 0 0 1 24.25 4182 62 + 4183 3 -28.944000 -27.127000 36.250000 61 " " Q H 2 "GLN " " CA " 6 0 0 1 29.89 4183 62 + 4184 2 -29.501000 -27.424000 34.848000 61 " " Q H 2 "GLN " " C " 6 0 0 1 27.03 4184 62 + 4185 15 -30.145000 -28.453000 34.651000 61 " " Q H 2 "GLN " " O " 8 0 0 1 27.38 4185 62 + 4186 3 -29.933000 -26.296000 37.088000 61 " " Q H 2 "GLN " " CB " 6 0 0 1 32.77 4186 62 + 4187 3 -31.330000 -26.930000 37.223000 61 " " Q H 2 "GLN " " CG " 6 0 0 1 40.94 4187 62 + 4188 2 -32.182000 -26.312000 38.332000 61 " " Q H 2 "GLN " " CD " 6 0 0 1 44.92 4188 62 + 4189 15 -31.661000 -25.698000 39.271000 61 " " Q H 2 "GLN " " OE1" 8 0 0 1 53.17 4189 62 + 4190 25 -33.500000 -26.489000 38.232000 61 " " Q H 2 "GLN " " NE2" 7 0 0 1 48.68 4190 62 + 4191 43 -27.462000 -25.638000 36.699000 61 " " Q H 2 "GLN " " H " 1 0 0 1 24.25 4191 62 + 4192 41 -28.817000 -28.084000 36.756000 61 " " Q H 2 "GLN " " HA " 1 0 0 1 29.89 4192 62 + 4193 41 -30.028000 -25.301000 36.653000 61 " " Q H 2 "GLN " " HB3" 1 0 0 1 32.77 4193 62 + 4194 41 -29.514000 -26.129000 38.081000 61 " " Q H 2 "GLN " " HB2" 1 0 0 1 32.77 4194 62 + 4195 41 -31.226000 -28.000000 37.401000 61 " " Q H 2 "GLN " " HG3" 1 0 0 1 40.94 4195 62 + 4196 41 -31.858000 -26.847000 36.273000 61 " " Q H 2 "GLN " " HG2" 1 0 0 1 40.94 4196 62 + 4197 43 -34.116000 -26.104000 38.934000 61 " " Q H 2 "GLN " "HE22" 1 0 0 1 48.68 4197 62 + 4198 43 -33.882000 -27.008000 37.454000 61 " " Q H 2 "GLN " "HE21" 1 0 0 1 48.68 4198 62 + 4199 25 -29.233000 -26.544000 33.878000 62 " " K H 2 "LYS " " N " 7 0 0 1 27.34 4199 63 + 4200 3 -29.700000 -26.746000 32.487000 62 " " K H 2 "LYS " " CA " 6 0 0 1 29.52 4200 63 + 4201 2 -29.198000 -28.074000 31.872000 62 " " K H 2 "LYS " " C " 6 0 0 1 28.03 4201 63 + 4202 15 -29.851000 -28.639000 30.990000 62 " " K H 2 "LYS " " O " 8 0 0 1 29.83 4202 63 + 4203 3 -29.325000 -25.547000 31.592000 62 " " K H 2 "LYS " " CB " 6 0 0 1 29.16 4203 63 + 4204 3 -29.781000 -25.674000 30.131000 62 " " K H 2 "LYS " " CG " 6 0 0 1 31.98 4204 63 + 4205 3 -29.139000 -24.655000 29.190000 62 " " K H 2 "LYS " " CD " 6 0 0 1 34.27 4205 63 + 4206 3 -29.557000 -24.916000 27.741000 62 " " K H 2 "LYS " " CE " 6 0 0 1 32.48 4206 63 + 4207 32 -29.533000 -23.681000 26.895000 62 " " K H 2 "LYS " " NZ " 7 1 0 1 32.71 4207 63 + 4208 43 -28.698000 -25.713000 34.084000 62 " " K H 2 "LYS " " H " 1 0 0 1 27.34 4208 63 + 4209 41 -30.788000 -26.797000 32.517000 62 " " K H 2 "LYS " " HA " 1 0 0 1 29.52 4209 63 + 4210 41 -28.246000 -25.398000 31.622000 62 " " K H 2 "LYS " " HB3" 1 0 0 1 29.16 4210 63 + 4211 41 -29.737000 -24.634000 32.021000 62 " " K H 2 "LYS " " HB2" 1 0 0 1 29.16 4211 63 + 4212 41 -30.866000 -25.579000 30.081000 62 " " K H 2 "LYS " " HG3" 1 0 0 1 31.98 4212 63 + 4213 41 -29.569000 -26.681000 29.772000 62 " " K H 2 "LYS " " HG2" 1 0 0 1 31.98 4213 63 + 4214 41 -28.054000 -24.719000 29.272000 62 " " K H 2 "LYS " " HD3" 1 0 0 1 34.27 4214 63 + 4215 41 -29.445000 -23.650000 29.480000 62 " " K H 2 "LYS " " HD2" 1 0 0 1 34.27 4215 63 + 4216 41 -30.558000 -25.347000 27.725000 62 " " K H 2 "LYS " " HE3" 1 0 0 1 32.48 4216 63 + 4217 41 -28.899000 -25.667000 27.304000 62 " " K H 2 "LYS " " HE2" 1 0 0 1 32.48 4217 63 + 4218 44 -28.598000 -23.300000 26.881000 62 " " K H 2 "LYS " " HZ1" 1 0 0 1 32.71 4218 63 + 4219 44 -29.816000 -23.912000 25.953000 62 " " K H 2 "LYS " " HZ2" 1 0 0 1 32.71 4219 63 + 4220 44 -30.169000 -22.997000 27.279000 62 " " K H 2 "LYS " " HZ3" 1 0 0 1 32.71 4220 63 + 4221 25 -28.057000 -28.565000 32.363000 63 " " F H 2 "PHE " " N " 7 0 0 1 24.77 4221 64 + 4222 3 -27.409000 -29.781000 31.847000 63 " " F H 2 "PHE " " CA " 6 0 0 1 25.18 4222 64 + 4223 2 -27.432000 -30.969000 32.828000 63 " " F H 2 "PHE " " C " 6 0 0 1 27.65 4223 64 + 4224 15 -26.918000 -32.043000 32.518000 63 " " F H 2 "PHE " " O " 8 0 0 1 29.98 4224 64 + 4225 3 -25.963000 -29.461000 31.427000 63 " " F H 2 "PHE " " CB " 6 0 0 1 21.83 4225 64 + 4226 2 -25.883000 -28.506000 30.274000 63 " " F H 2 "PHE " " CG " 6 0 0 1 25.28 4226 64 + 4227 2 -26.013000 -28.970000 28.966000 63 " " F H 2 "PHE " " CD1" 6 0 0 1 26.65 4227 64 + 4228 2 -25.749000 -27.139000 30.489000 63 " " F H 2 "PHE " " CD2" 6 0 0 1 23.14 4228 64 + 4229 2 -25.992000 -28.095000 27.896000 63 " " F H 2 "PHE " " CE1" 6 0 0 1 24.62 4229 64 + 4230 2 -25.707000 -26.248000 29.411000 63 " " F H 2 "PHE " " CE2" 6 0 0 1 25.03 4230 64 + 4231 2 -25.823000 -26.730000 28.118000 63 " " F H 2 "PHE " " CZ " 6 0 0 1 27.25 4231 64 + 4232 43 -27.594000 -28.097000 33.129000 63 " " F H 2 "PHE " " H " 1 0 0 1 24.77 4232 64 + 4233 41 -27.950000 -30.086000 30.951000 63 " " F H 2 "PHE " " HA " 1 0 0 1 25.18 4233 64 + 4234 41 -25.448000 -30.386000 31.167000 63 " " F H 2 "PHE " " HB3" 1 0 0 1 21.83 4234 64 + 4235 41 -25.422000 -29.047000 32.278000 63 " " F H 2 "PHE " " HB2" 1 0 0 1 21.83 4235 64 + 4236 41 -26.132000 -30.027000 28.777000 63 " " F H 2 "PHE " " HD1" 1 0 0 1 26.65 4236 64 + 4237 41 -25.676000 -26.755000 31.496000 63 " " F H 2 "PHE " " HD2" 1 0 0 1 23.14 4237 64 + 4238 41 -26.107000 -28.470000 26.890000 63 " " F H 2 "PHE " " HE1" 1 0 0 1 24.62 4238 64 + 4239 41 -25.585000 -25.190000 29.589000 63 " " F H 2 "PHE " " HE2" 1 0 0 1 25.03 4239 64 + 4240 41 -25.782000 -26.048000 27.282000 63 " " F H 2 "PHE " " HZ " 1 0 0 1 27.25 4240 64 + 4241 25 -28.040000 -30.777000 33.995000 64 " " K H 2 "LYS " " N " 7 0 0 1 29.38 4241 65 + 4242 3 -28.037000 -31.797000 35.050000 64 " " K H 2 "LYS " " CA " 6 0 0 1 32.9 4242 65 + 4243 2 -28.569000 -33.162000 34.586000 64 " " K H 2 "LYS " " C " 6 0 0 1 34.24 4243 65 + 4244 15 -27.997000 -34.199000 34.932000 64 " " K H 2 "LYS " " O " 8 0 0 1 34.45 4244 65 + 4245 3 -28.811000 -31.318000 36.281000 64 " " K H 2 "LYS " " CB " 6 0 0 1 37.03 4245 65 + 4246 3 -28.350000 -31.993000 37.559000 64 " " K H 2 "LYS " " CG " 6 0 0 1 42.9 4246 65 + 4247 3 -29.408000 -31.934000 38.645000 64 " " K H 2 "LYS " " CD " 6 0 0 1 48.7 4247 65 + 4248 3 -28.884000 -32.538000 39.939000 64 " " K H 2 "LYS " " CE " 6 0 0 1 49.9 4248 65 + 4249 32 -29.888000 -32.452000 41.036000 64 " " K H 2 "LYS " " NZ " 7 1 0 1 52.84 4249 65 + 4250 43 -28.523000 -29.908000 34.176000 64 " " K H 2 "LYS " " H " 1 0 0 1 29.38 4250 65 + 4251 41 -27.001000 -31.942000 35.356000 64 " " K H 2 "LYS " " HA " 1 0 0 1 32.9 4251 65 + 4252 41 -29.875000 -31.506000 36.136000 64 " " K H 2 "LYS " " HB3" 1 0 0 1 37.03 4252 65 + 4253 41 -28.700000 -30.238000 36.381000 64 " " K H 2 "LYS " " HB2" 1 0 0 1 37.03 4253 65 + 4254 41 -27.438000 -31.512000 37.914000 64 " " K H 2 "LYS " " HG3" 1 0 0 1 42.9 4254 65 + 4255 41 -28.102000 -33.034000 37.350000 64 " " K H 2 "LYS " " HG2" 1 0 0 1 42.9 4255 65 + 4256 41 -30.292000 -32.482000 38.320000 64 " " K H 2 "LYS " " HD3" 1 0 0 1 48.7 4256 65 + 4257 41 -29.693000 -30.896000 38.818000 64 " " K H 2 "LYS " " HD2" 1 0 0 1 48.7 4257 65 + 4258 41 -27.974000 -32.019000 40.239000 64 " " K H 2 "LYS " " HE3" 1 0 0 1 49.9 4258 65 + 4259 41 -28.619000 -33.582000 39.771000 64 " " K H 2 "LYS " " HE2" 1 0 0 1 49.9 4259 65 + 4260 44 -30.324000 -31.541000 41.023000 64 " " K H 2 "LYS " " HZ1" 1 0 0 1 52.84 4260 65 + 4261 44 -30.592000 -33.164000 40.905000 64 " " K H 2 "LYS " " HZ2" 1 0 0 1 52.84 4261 65 + 4262 44 -29.429000 -32.592000 41.925000 64 " " K H 2 "LYS " " HZ3" 1 0 0 1 52.84 4262 65 + 4263 25 -29.645000 -33.158000 33.799000 65 " " D H 2 "ASP " " N " 7 0 0 1 31.65 4263 66 + 4264 3 -30.240000 -34.404000 33.295000 65 " " D H 2 "ASP " " CA " 6 0 0 1 36.01 4264 66 + 4265 2 -29.477000 -34.997000 32.101000 65 " " D H 2 "ASP " " C " 6 0 0 1 33.6 4265 66 + 4266 15 -29.602000 -36.182000 31.796000 65 " " D H 2 "ASP " " O " 8 0 0 1 35.92 4266 66 + 4267 3 -31.705000 -34.173000 32.907000 65 " " D H 2 "ASP " " CB " 6 0 0 1 40.88 4267 66 + 4268 2 -32.582000 -33.791000 34.098000 65 " " D H 2 "ASP " " CG " 6 0 0 1 46.39 4268 66 + 4269 15 -32.239000 -34.136000 35.254000 65 " " D H 2 "ASP " " OD1" 8 0 0 1 45.22 4269 66 + 4270 18 -33.628000 -33.144000 33.865000 65 " " D H 2 "ASP " " OD2" 8 -1 0 1 49.55 4270 66 + 4271 43 -30.073000 -32.283000 33.534000 65 " " D H 2 "ASP " " H " 1 0 0 1 31.65 4271 66 + 4272 41 -30.219000 -35.136000 34.103000 65 " " D H 2 "ASP " " HA " 1 0 0 1 36.01 4272 66 + 4273 41 -32.102000 -35.074000 32.439000 65 " " D H 2 "ASP " " HB3" 1 0 0 1 40.88 4273 66 + 4274 41 -31.760000 -33.390000 32.151000 65 " " D H 2 "ASP " " HB2" 1 0 0 1 40.88 4274 66 + 4275 25 -28.678000 -34.160000 31.454000 66 " " K H 2 "LYS " " N " 7 0 0 1 28.14 4275 67 + 4276 3 -28.049000 -34.470000 30.177000 66 " " K H 2 "LYS " " CA " 6 0 0 1 29.82 4276 67 + 4277 2 -26.600000 -34.970000 30.337000 66 " " K H 2 "LYS " " C " 6 0 0 1 31.19 4277 67 + 4278 15 -26.207000 -35.949000 29.699000 66 " " K H 2 "LYS " " O " 8 0 0 1 31.7 4278 67 + 4279 3 -28.115000 -33.207000 29.297000 66 " " K H 2 "LYS " " CB " 6 0 0 1 31.32 4279 67 + 4280 3 -27.356000 -33.231000 27.957000 66 " " K H 2 "LYS " " CG " 6 0 0 1 33.31 4280 67 + 4281 3 -28.059000 -34.068000 26.894000 66 " " K H 2 "LYS " " CD " 6 0 0 1 31.93 4281 67 + 4282 3 -29.463000 -33.570000 26.609000 66 " " K H 2 "LYS " " CE " 6 0 0 1 32.24 4282 67 + 4283 32 -30.165000 -34.484000 25.675000 66 " " K H 2 "LYS " " NZ " 7 1 0 1 29.98 4283 67 + 4284 43 -28.477000 -33.251000 31.844000 66 " " K H 2 "LYS " " H " 1 0 0 1 28.14 4284 67 + 4285 41 -28.629000 -35.255000 29.692000 66 " " K H 2 "LYS " " HA " 1 0 0 1 29.82 4285 67 + 4286 41 -27.785000 -32.347000 29.880000 66 " " K H 2 "LYS " " HB3" 1 0 0 1 31.32 4286 67 + 4287 41 -29.159000 -32.954000 29.112000 66 " " K H 2 "LYS " " HB2" 1 0 0 1 31.32 4287 67 + 4288 41 -26.350000 -33.620000 28.117000 66 " " K H 2 "LYS " " HG3" 1 0 0 1 33.31 4288 67 + 4289 41 -27.233000 -32.211000 27.592000 66 " " K H 2 "LYS " " HG2" 1 0 0 1 33.31 4289 67 + 4290 41 -28.102000 -35.107000 27.221000 66 " " K H 2 "LYS " " HD3" 1 0 0 1 31.93 4290 67 + 4291 41 -27.475000 -34.051000 25.974000 66 " " K H 2 "LYS " " HD2" 1 0 0 1 31.93 4291 67 + 4292 41 -29.413000 -32.573000 26.172000 66 " " K H 2 "LYS " " HE3" 1 0 0 1 32.24 4292 67 + 4293 41 -30.022000 -33.506000 27.543000 66 " " K H 2 "LYS " " HE2" 1 0 0 1 32.24 4293 67 + 4294 44 -29.915000 -34.252000 24.724000 66 " " K H 2 "LYS " " HZ1" 1 0 0 1 29.98 4294 67 + 4295 44 -29.896000 -35.438000 25.870000 66 " " K H 2 "LYS " " HZ2" 1 0 0 1 29.98 4295 67 + 4296 44 -31.163000 -34.386000 25.794000 66 " " K H 2 "LYS " " HZ3" 1 0 0 1 29.98 4296 67 + 4297 25 -25.829000 -34.312000 31.206000 67 " " A H 2 "ALA " " N " 7 0 2 1 23.17 4297 68 + 4298 3 -24.369000 -34.481000 31.249000 67 " " A H 2 "ALA " " CA " 6 0 2 1 23 4298 68 + 4299 2 -23.873000 -35.301000 32.432000 67 " " A H 2 "ALA " " C " 6 0 2 1 20.26 4299 68 + 4300 15 -24.458000 -35.258000 33.511000 67 " " A H 2 "ALA " " O " 8 0 2 1 24.86 4300 68 + 4301 3 -23.676000 -33.105000 31.233000 67 " " A H 2 "ALA " " CB " 6 0 2 1 20.26 4301 68 + 4302 43 -26.245000 -33.671000 31.866000 67 " " A H 2 "ALA " " H " 1 0 2 1 23.17 4302 68 + 4303 41 -24.074000 -35.006000 30.341000 67 " " A H 2 "ALA " " HA " 1 0 2 1 23 4303 68 + 4304 41 -22.595000 -33.242000 31.265000 67 " " A H 2 "ALA " " HB1" 1 0 2 1 20.26 4304 68 + 4305 41 -23.947000 -32.572000 30.322000 67 " " A H 2 "ALA " " HB2" 1 0 2 1 20.26 4305 68 + 4306 41 -23.995000 -32.527000 32.101000 67 " " A H 2 "ALA " " HB3" 1 0 2 1 20.26 4306 68 + 4307 25 -22.787000 -36.044000 32.212000 68 " " T H 2 "THR " " N " 7 0 2 1 21.96 4307 69 + 4308 3 -22.032000 -36.700000 33.293000 68 " " T H 2 "THR " " CA " 6 0 2 1 20.63 4308 69 + 4309 2 -20.542000 -36.468000 33.092000 68 " " T H 2 "THR " " C " 6 0 2 1 20.35 4309 69 + 4310 15 -19.996000 -36.759000 32.028000 68 " " T H 2 "THR " " O " 8 0 2 1 18.44 4310 69 + 4311 3 -22.294000 -38.213000 33.352000 68 " " T H 2 "THR " " CB " 6 0 2 1 22.96 4311 69 + 4312 16 -23.702000 -38.451000 33.487000 68 " " T H 2 "THR " " OG1" 8 0 2 1 21.26 4312 69 + 4313 3 -21.531000 -38.860000 34.532000 68 " " T H 2 "THR " " CG2" 6 0 2 1 23.34 4313 69 + 4314 43 -22.448000 -36.177000 31.270000 68 " " T H 2 "THR " " H " 1 0 2 1 21.96 4314 69 + 4315 41 -22.329000 -36.257000 34.244000 68 " " T H 2 "THR " " HA " 1 0 2 1 20.63 4315 69 + 4316 41 -21.950000 -38.665000 32.422000 68 " " T H 2 "THR " " HB " 1 0 2 1 22.96 4316 69 + 4317 42 -24.164000 -38.076000 32.734000 68 " " T H 2 "THR " " HG1" 1 0 2 1 21.26 4317 69 + 4318 41 -21.733000 -39.931000 34.552000 68 " " T H 2 "THR " "HG21" 1 0 2 1 23.34 4318 69 + 4319 41 -20.461000 -38.695000 34.408000 68 " " T H 2 "THR " "HG22" 1 0 2 1 23.34 4319 69 + 4320 41 -21.861000 -38.411000 35.469000 68 " " T H 2 "THR " "HG23" 1 0 2 1 23.34 4320 69 + 4321 25 -19.899000 -35.926000 34.120000 69 " " M H 2 "MET " " N " 7 0 2 1 18.67 4321 70 + 4322 3 -18.467000 -35.657000 34.082000 69 " " M H 2 "MET " " CA " 6 0 2 1 21.21 4322 70 + 4323 2 -17.716000 -36.683000 34.918000 69 " " M H 2 "MET " " C " 6 0 2 1 18.57 4323 70 + 4324 15 -18.094000 -36.964000 36.069000 69 " " M H 2 "MET " " O " 8 0 2 1 19.54 4324 70 + 4325 3 -18.171000 -34.246000 34.597000 69 " " M H 2 "MET " " CB " 6 0 2 1 20.99 4325 70 + 4326 3 -18.633000 -33.112000 33.679000 69 " " M H 2 "MET " " CG " 6 0 2 1 20.25 4326 70 + 4327 49 -18.430000 -31.479000 34.438000 69 " " M H 2 "MET " " SD " 16 0 2 1 22.4 4327 70 + 4328 3 -19.416000 -31.695000 35.918000 69 " " M H 2 "MET " " CE " 6 0 2 1 18.82 4328 70 + 4329 43 -20.403000 -35.687000 34.962000 69 " " M H 2 "MET " " H " 1 0 2 1 18.67 4329 70 + 4330 41 -18.125000 -35.731000 33.050000 69 " " M H 2 "MET " " HA " 1 0 2 1 21.21 4330 70 + 4331 41 -17.101000 -34.147000 34.782000 69 " " M H 2 "MET " " HB3" 1 0 2 1 20.99 4331 70 + 4332 41 -18.622000 -34.119000 35.581000 69 " " M H 2 "MET " " HB2" 1 0 2 1 20.99 4332 70 + 4333 41 -19.680000 -33.262000 33.417000 69 " " M H 2 "MET " " HG3" 1 0 2 1 20.25 4333 70 + 4334 41 -18.072000 -33.150000 32.745000 69 " " M H 2 "MET " " HG2" 1 0 2 1 20.25 4334 70 + 4335 41 -19.398000 -30.776000 36.504000 69 " " M H 2 "MET " " HE1" 1 0 2 1 18.82 4335 70 + 4336 41 -20.444000 -31.928000 35.640000 69 " " M H 2 "MET " " HE2" 1 0 2 1 18.82 4336 70 + 4337 41 -19.007000 -32.512000 36.512000 69 " " M H 2 "MET " " HE3" 1 0 2 1 18.82 4337 70 + 4338 25 -16.658000 -37.250000 34.336000 70 " " T H 2 "THR " " N " 7 0 2 1 22.08 4338 71 + 4339 3 -15.763000 -38.165000 35.050000 70 " " T H 2 "THR " " CA " 6 0 2 1 20.78 4339 71 + 4340 2 -14.294000 -37.840000 34.730000 70 " " T H 2 "THR " " C " 6 0 2 1 20.74 4340 71 + 4341 15 -14.013000 -37.077000 33.808000 70 " " T H 2 "THR " " O " 8 0 2 1 22.2 4341 71 + 4342 3 -16.057000 -39.651000 34.703000 70 " " T H 2 "THR " " CB " 6 0 2 1 22.43 4342 71 + 4343 16 -15.915000 -39.861000 33.293000 70 " " T H 2 "THR " " OG1" 8 0 2 1 26.16 4343 71 + 4344 3 -17.471000 -40.058000 35.153000 70 " " T H 2 "THR " " CG2" 6 0 2 1 22.34 4344 71 + 4345 43 -16.449000 -37.054000 33.368000 70 " " T H 2 "THR " " H " 1 0 2 1 22.08 4345 71 + 4346 41 -15.918000 -38.028000 36.120000 70 " " T H 2 "THR " " HA " 1 0 2 1 20.78 4346 71 + 4347 41 -15.333000 -40.279000 35.222000 70 " " T H 2 "THR " " HB " 1 0 2 1 22.43 4347 71 + 4348 42 -15.019000 -39.645000 33.026000 70 " " T H 2 "THR " " HG1" 1 0 2 1 26.16 4348 71 + 4349 41 -17.648000 -41.103000 34.897000 70 " " T H 2 "THR " "HG21" 1 0 2 1 22.34 4349 71 + 4350 41 -17.561000 -39.929000 36.232000 70 " " T H 2 "THR " "HG22" 1 0 2 1 22.34 4350 71 + 4351 41 -18.207000 -39.431000 34.650000 70 " " T H 2 "THR " "HG23" 1 0 2 1 22.34 4351 71 + 4352 25 -13.362000 -38.399000 35.500000 71 " " V H 2 "VAL " " N " 7 0 2 1 24.74 4352 72 + 4353 3 -11.929000 -38.322000 35.165000 71 " " V H 2 "VAL " " CA " 6 0 2 1 23.28 4353 72 + 4354 2 -11.256000 -39.691000 35.313000 71 " " V H 2 "VAL " " C " 6 0 2 1 23.4 4354 72 + 4355 15 -11.698000 -40.539000 36.096000 71 " " V H 2 "VAL " " O " 8 0 2 1 24.51 4355 72 + 4356 3 -11.125000 -37.283000 36.031000 71 " " V H 2 "VAL " " CB " 6 0 2 1 25.17 4356 72 + 4357 3 -11.440000 -35.863000 35.640000 71 " " V H 2 "VAL " " CG1" 6 0 2 1 29.67 4357 72 + 4358 3 -11.351000 -37.505000 37.552000 71 " " V H 2 "VAL " " CG2" 6 0 2 1 26.83 4358 72 + 4359 43 -13.630000 -38.892000 36.340000 71 " " V H 2 "VAL " " H " 1 0 2 1 24.74 4359 72 + 4360 41 -11.846000 -38.021000 34.121000 71 " " V H 2 "VAL " " HA " 1 0 2 1 23.28 4360 72 + 4361 41 -10.066000 -37.447000 35.833000 71 " " V H 2 "VAL " " HB " 1 0 2 1 25.17 4361 72 + 4362 41 -10.864000 -35.178000 36.262000 71 " " V H 2 "VAL " "HG11" 1 0 2 1 29.67 4362 72 + 4363 41 -11.180000 -35.708000 34.593000 71 " " V H 2 "VAL " "HG12" 1 0 2 1 29.67 4363 72 + 4364 41 -12.504000 -35.674000 35.782000 71 " " V H 2 "VAL " "HG13" 1 0 2 1 29.67 4364 72 + 4365 41 -10.779000 -36.768000 38.116000 71 " " V H 2 "VAL " "HG21" 1 0 2 1 26.83 4365 72 + 4366 41 -12.411000 -37.396000 37.782000 71 " " V H 2 "VAL " "HG22" 1 0 2 1 26.83 4366 72 + 4367 41 -11.022000 -38.507000 37.826000 71 " " V H 2 "VAL " "HG23" 1 0 2 1 26.83 4367 72 + 4368 25 -10.183000 -39.889000 34.557000 72 " " D H 2 "ASP " " N " 7 0 2 1 23.38 4368 73 + 4369 3 -9.274000 -40.997000 34.785000 72 " " D H 2 "ASP " " CA " 6 0 2 1 25.52 4369 73 + 4370 2 -7.912000 -40.390000 35.087000 72 " " D H 2 "ASP " " C " 6 0 2 1 27.9 4370 73 + 4371 15 -7.190000 -39.962000 34.182000 72 " " D H 2 "ASP " " O " 8 0 2 1 27.35 4371 73 + 4372 3 -9.212000 -41.937000 33.577000 72 " " D H 2 "ASP " " CB " 6 0 2 1 27.43 4372 73 + 4373 2 -8.203000 -43.076000 33.769000 72 " " D H 2 "ASP " " CG " 6 0 2 1 32.97 4373 73 + 4374 15 -7.929000 -43.453000 34.930000 72 " " D H 2 "ASP " " OD1" 8 0 2 1 31.07 4374 73 + 4375 18 -7.685000 -43.588000 32.758000 72 " " D H 2 "ASP " " OD2" 8 -1 2 1 34.55 4375 73 + 4376 43 -9.978000 -39.258000 33.795000 72 " " D H 2 "ASP " " H " 1 0 2 1 23.38 4376 73 + 4377 41 -9.612000 -41.560000 35.655000 72 " " D H 2 "ASP " " HA " 1 0 2 1 25.52 4377 73 + 4378 41 -8.949000 -41.366000 32.687000 72 " " D H 2 "ASP " " HB3" 1 0 2 1 27.43 4378 73 + 4379 41 -10.201000 -42.356000 33.393000 72 " " D H 2 "ASP " " HB2" 1 0 2 1 27.43 4379 73 + 4380 25 -7.569000 -40.341000 36.370000 73 " " I H 2 "ILE " " N " 7 0 0 1 30.03 4380 74 + 4381 3 -6.346000 -39.672000 36.803000 73 " " I H 2 "ILE " " CA " 6 0 0 1 33.1 4381 74 + 4382 2 -5.089000 -40.324000 36.218000 73 " " I H 2 "ILE " " C " 6 0 0 1 33.17 4382 74 + 4383 15 -4.192000 -39.619000 35.765000 73 " " I H 2 "ILE " " O " 8 0 0 1 35.23 4383 74 + 4384 3 -6.280000 -39.505000 38.349000 73 " " I H 2 "ILE " " CB " 6 0 0 1 35.26 4384 74 + 4385 3 -7.408000 -38.564000 38.814000 73 " " I H 2 "ILE " " CG1" 6 0 0 1 33.53 4385 74 + 4386 3 -4.924000 -38.919000 38.780000 73 " " I H 2 "ILE " " CG2" 6 0 0 1 33.9 4386 74 + 4387 3 -7.731000 -38.629000 40.306000 73 " " I H 2 "ILE " " CD1" 6 0 0 1 34.98 4387 74 + 4388 43 -8.159000 -40.772000 37.067000 73 " " I H 2 "ILE " " H " 1 0 0 1 30.03 4388 74 + 4389 41 -6.387000 -38.664000 36.389000 73 " " I H 2 "ILE " " HA " 1 0 0 1 33.1 4389 74 + 4390 41 -6.413000 -40.480000 38.819000 73 " " I H 2 "ILE " " HB " 1 0 0 1 35.26 4390 74 + 4391 41 -8.311000 -38.773000 38.240000 73 " " I H 2 "ILE " "HG13" 1 0 0 1 33.53 4391 74 + 4392 41 -7.156000 -37.538000 38.544000 73 " " I H 2 "ILE " "HG12" 1 0 0 1 33.53 4392 74 + 4393 41 -4.902000 -38.812000 39.864000 73 " " I H 2 "ILE " "HG21" 1 0 0 1 33.9 4393 74 + 4394 41 -4.122000 -39.587000 38.465000 73 " " I H 2 "ILE " "HG22" 1 0 0 1 33.9 4394 74 + 4395 41 -4.786000 -37.942000 38.316000 73 " " I H 2 "ILE " "HG23" 1 0 0 1 33.9 4395 74 + 4396 41 -8.537000 -37.931000 40.535000 73 " " I H 2 "ILE " "HD11" 1 0 0 1 34.98 4396 74 + 4397 41 -8.042000 -39.641000 40.567000 73 " " I H 2 "ILE " "HD12" 1 0 0 1 34.98 4397 74 + 4398 41 -6.845000 -38.362000 40.882000 73 " " I H 2 "ILE " "HD13" 1 0 0 1 34.98 4398 74 + 4399 25 -5.056000 -41.655000 36.173000 74 " " S H 2 "SER " " N " 7 0 0 1 34.16 4399 75 + 4400 3 -3.870000 -42.382000 35.696000 74 " " S H 2 "SER " " CA " 6 0 0 1 35.04 4400 75 + 4401 2 -3.492000 -42.038000 34.250000 74 " " S H 2 "SER " " C " 6 0 0 1 35.16 4401 75 + 4402 15 -2.317000 -42.111000 33.883000 74 " " S H 2 "SER " " O " 8 0 0 1 32.99 4402 75 + 4403 3 -4.018000 -43.897000 35.897000 74 " " S H 2 "SER " " CB " 6 0 0 1 33.48 4403 75 + 4404 16 -5.051000 -44.435000 35.090000 74 " " S H 2 "SER " " OG " 8 0 0 1 33.38 4404 75 + 4405 43 -5.859000 -42.190000 36.471000 74 " " S H 2 "SER " " H " 1 0 0 1 34.16 4405 75 + 4406 41 -3.036000 -42.064000 36.321000 74 " " S H 2 "SER " " HA " 1 0 0 1 35.04 4406 75 + 4407 41 -4.232000 -44.105000 36.946000 74 " " S H 2 "SER " " HB3" 1 0 0 1 33.48 4407 75 + 4408 41 -3.076000 -44.389000 35.655000 74 " " S H 2 "SER " " HB2" 1 0 0 1 33.48 4408 75 + 4409 42 -5.860000 -43.938000 35.231000 74 " " S H 2 "SER " " HG " 1 0 0 1 33.38 4409 75 + 4410 25 -4.482000 -41.641000 33.446000 75 " " S H 2 "SER " " N " 7 0 0 1 32.3 4410 76 + 4411 3 -4.239000 -41.280000 32.048000 75 " " S H 2 "SER " " CA " 6 0 0 1 31.98 4411 76 + 4412 2 -4.421000 -39.780000 31.777000 75 " " S H 2 "SER " " C " 6 0 0 1 30.64 4412 76 + 4413 15 -4.385000 -39.346000 30.623000 75 " " S H 2 "SER " " O " 8 0 0 1 30.14 4413 76 + 4414 3 -5.133000 -42.102000 31.122000 75 " " S H 2 "SER " " CB " 6 0 0 1 31.8 4414 76 + 4415 16 -6.477000 -41.677000 31.229000 75 " " S H 2 "SER " " OG " 8 0 0 1 33.94 4415 76 + 4416 43 -5.427000 -41.584000 33.799000 75 " " S H 2 "SER " " H " 1 0 0 1 32.3 4416 76 + 4417 41 -3.204000 -41.533000 31.817000 75 " " S H 2 "SER " " HA " 1 0 0 1 31.98 4417 76 + 4418 41 -5.063000 -43.156000 31.391000 75 " " S H 2 "SER " " HB3" 1 0 0 1 31.8 4418 76 + 4419 41 -4.796000 -41.983000 30.092000 75 " " S H 2 "SER " " HB2" 1 0 0 1 31.8 4419 76 + 4420 42 -6.971000 -42.307000 31.759000 75 " " S H 2 "SER " " HG " 1 0 0 1 33.94 4420 76 + 4421 25 -4.602000 -39.001000 32.844000 76 " " S H 2 "SER " " N " 7 0 0 1 25.95 4421 77 + 4422 3 -4.755000 -37.540000 32.757000 76 " " S H 2 "SER " " CA " 6 0 0 1 26.16 4422 77 + 4423 2 -5.865000 -37.112000 31.777000 76 " " S H 2 "SER " " C " 6 0 0 1 25.55 4423 77 + 4424 15 -5.675000 -36.183000 30.986000 76 " " S H 2 "SER " " O " 8 0 0 1 22.54 4424 77 + 4425 3 -3.424000 -36.867000 32.367000 76 " " S H 2 "SER " " CB " 6 0 0 1 27.43 4425 77 + 4426 16 -2.347000 -37.315000 33.175000 76 " " S H 2 "SER " " OG " 8 0 0 1 26.73 4426 77 + 4427 43 -4.639000 -39.409000 33.767000 76 " " S H 2 "SER " " H " 1 0 0 1 25.95 4427 77 + 4428 41 -5.031000 -37.177000 33.747000 76 " " S H 2 "SER " " HA " 1 0 0 1 26.16 4428 77 + 4429 41 -3.523000 -35.786000 32.462000 76 " " S H 2 "SER " " HB3" 1 0 0 1 27.43 4429 77 + 4430 41 -3.204000 -37.078000 31.320000 76 " " S H 2 "SER " " HB2" 1 0 0 1 27.43 4430 77 + 4431 42 -2.244000 -38.264000 33.074000 76 " " S H 2 "SER " " HG " 1 0 0 1 26.73 4431 77 + 4432 25 -7.009000 -37.796000 31.840000 77 " " T H 2 "THR " " N " 7 0 2 1 24.5 4432 78 + 4433 3 -8.102000 -37.599000 30.884000 77 " " T H 2 "THR " " CA " 6 0 2 1 21.58 4433 78 + 4434 2 -9.427000 -37.372000 31.595000 77 " " T H 2 "THR " " C " 6 0 2 1 24.91 4434 78 + 4435 15 -9.807000 -38.144000 32.484000 77 " " T H 2 "THR " " O " 8 0 2 1 28.19 4435 78 + 4436 3 -8.253000 -38.813000 29.917000 77 " " T H 2 "THR " " CB " 6 0 2 1 26.14 4436 78 + 4437 16 -7.007000 -39.049000 29.245000 77 " " T H 2 "THR " " OG1" 8 0 2 1 25.01 4437 78 + 4438 3 -9.356000 -38.541000 28.870000 77 " " T H 2 "THR " " CG2" 6 0 2 1 23.53 4438 78 + 4439 43 -7.148000 -38.482000 32.568000 77 " " T H 2 "THR " " H " 1 0 2 1 24.5 4439 78 + 4440 41 -7.879000 -36.714000 30.288000 77 " " T H 2 "THR " " HA " 1 0 2 1 21.58 4440 78 + 4441 41 -8.520000 -39.698000 30.495000 77 " " T H 2 "THR " " HB " 1 0 2 1 26.14 4441 78 + 4442 42 -6.300000 -39.109000 29.892000 77 " " T H 2 "THR " " HG1" 1 0 2 1 25.01 4442 78 + 4443 41 -9.446000 -39.400000 28.205000 77 " " T H 2 "THR " "HG21" 1 0 2 1 23.53 4443 78 + 4444 41 -10.306000 -38.374000 29.377000 77 " " T H 2 "THR " "HG22" 1 0 2 1 23.53 4444 78 + 4445 41 -9.095000 -37.657000 28.288000 77 " " T H 2 "THR " "HG23" 1 0 2 1 23.53 4445 78 + 4446 25 -10.125000 -36.307000 31.202000 78 " " A H 2 "ALA " " N " 7 0 2 1 22.03 4446 79 + 4447 3 -11.482000 -36.074000 31.669000 78 " " A H 2 "ALA " " CA " 6 0 2 1 19.92 4447 79 + 4448 2 -12.462000 -36.471000 30.581000 78 " " A H 2 "ALA " " C " 6 0 2 1 21.11 4448 79 + 4449 15 -12.151000 -36.363000 29.399000 78 " " A H 2 "ALA " " O " 8 0 2 1 22.63 4449 79 + 4450 3 -11.683000 -34.636000 32.024000 78 " " A H 2 "ALA " " CB " 6 0 2 1 17.24 4450 79 + 4451 43 -9.713000 -35.640000 30.566000 78 " " A H 2 "ALA " " H " 1 0 2 1 22.03 4451 79 + 4452 41 -11.664000 -36.687000 32.552000 78 " " A H 2 "ALA " " HA " 1 0 2 1 19.92 4452 79 + 4453 41 -12.706000 -34.486000 32.371000 78 " " A H 2 "ALA " " HB1" 1 0 2 1 17.24 4453 79 + 4454 41 -10.987000 -34.356000 32.815000 78 " " A H 2 "ALA " " HB2" 1 0 2 1 17.24 4454 79 + 4455 41 -11.503000 -34.016000 31.146000 78 " " A H 2 "ALA " " HB3" 1 0 2 1 17.24 4455 79 + 4456 25 -13.659000 -36.890000 30.987000 79 " " Y H 2 "TYR " " N " 7 0 2 1 20.78 4456 80 + 4457 3 -14.695000 -37.318000 30.048000 79 " " Y H 2 "TYR " " CA " 6 0 2 1 19.38 4457 80 + 4458 2 -16.011000 -36.573000 30.269000 79 " " Y H 2 "TYR " " C " 6 0 2 1 20.66 4458 80 + 4459 15 -16.404000 -36.326000 31.407000 79 " " Y H 2 "TYR " " O " 8 0 2 1 21.52 4459 80 + 4460 3 -14.948000 -38.826000 30.179000 79 " " Y H 2 "TYR " " CB " 6 0 2 1 25.13 4460 80 + 4461 2 -13.732000 -39.670000 29.920000 79 " " Y H 2 "TYR " " CG " 6 0 2 1 26.76 4461 80 + 4462 2 -13.402000 -40.066000 28.624000 79 " " Y H 2 "TYR " " CD1" 6 0 2 1 24.75 4462 80 + 4463 2 -12.895000 -40.063000 30.972000 79 " " Y H 2 "TYR " " CD2" 6 0 2 1 29.23 4463 80 + 4464 2 -12.281000 -40.827000 28.377000 79 " " Y H 2 "TYR " " CE1" 6 0 2 1 25.95 4464 80 + 4465 2 -11.770000 -40.825000 30.736000 79 " " Y H 2 "TYR " " CE2" 6 0 2 1 26.74 4465 80 + 4466 2 -11.466000 -41.202000 29.440000 79 " " Y H 2 "TYR " " CZ " 6 0 2 1 28.72 4466 80 + 4467 16 -10.347000 -41.967000 29.198000 79 " " Y H 2 "TYR " " OH " 8 0 2 1 31.53 4467 80 + 4468 43 -13.876000 -36.920000 31.973000 79 " " Y H 2 "TYR " " H " 1 0 2 1 20.78 4468 80 + 4469 41 -14.348000 -37.113000 29.035000 79 " " Y H 2 "TYR " " HA " 1 0 2 1 19.38 4469 80 + 4470 41 -15.744000 -39.120000 29.495000 79 " " Y H 2 "TYR " " HB3" 1 0 2 1 25.13 4470 80 + 4471 41 -15.333000 -39.043000 31.175000 79 " " Y H 2 "TYR " " HB2" 1 0 2 1 25.13 4471 80 + 4472 41 -14.030000 -39.776000 27.794000 79 " " Y H 2 "TYR " " HD1" 1 0 2 1 24.75 4472 80 + 4473 41 -13.127000 -39.769000 31.985000 79 " " Y H 2 "TYR " " HD2" 1 0 2 1 29.23 4473 80 + 4474 41 -12.043000 -41.126000 27.367000 79 " " Y H 2 "TYR " " HE1" 1 0 2 1 25.95 4474 80 + 4475 41 -11.136000 -41.122000 31.559000 79 " " Y H 2 "TYR " " HE2" 1 0 2 1 26.74 4475 80 + 4476 42 -9.674000 -41.766000 29.852000 79 " " Y H 2 "TYR " " HH " 1 0 2 1 31.53 4476 80 + 4477 25 -16.687000 -36.237000 29.174000 80 " " L H 2 "LEU " " N " 7 0 2 1 21.54 4477 81 + 4478 3 -18.041000 -35.680000 29.220000 80 " " L H 2 "LEU " " CA " 6 0 2 1 17.25 4478 81 + 4479 2 -18.985000 -36.608000 28.454000 80 " " L H 2 "LEU " " C " 6 0 2 1 19.44 4479 81 + 4480 15 -18.790000 -36.863000 27.261000 80 " " L H 2 "LEU " " O " 8 0 2 1 18.77 4480 81 + 4481 3 -18.092000 -34.270000 28.611000 80 " " L H 2 "LEU " " CB " 6 0 2 1 19.02 4481 81 + 4482 3 -19.478000 -33.606000 28.511000 80 " " L H 2 "LEU " " CG " 6 0 2 1 19.72 4482 81 + 4483 3 -20.133000 -33.401000 29.883000 80 " " L H 2 "LEU " " CD1" 6 0 2 1 22.26 4483 81 + 4484 3 -19.390000 -32.263000 27.728000 80 " " L H 2 "LEU " " CD2" 6 0 2 1 17.84 4484 81 + 4485 43 -16.268000 -36.363000 28.264000 80 " " L H 2 "LEU " " H " 1 0 2 1 21.54 4485 81 + 4486 41 -18.365000 -35.627000 30.259000 80 " " L H 2 "LEU " " HA " 1 0 2 1 17.25 4486 81 + 4487 41 -17.631000 -34.289000 27.623000 80 " " L H 2 "LEU " " HB3" 1 0 2 1 19.02 4487 81 + 4488 41 -17.420000 -33.615000 29.166000 80 " " L H 2 "LEU " " HB2" 1 0 2 1 19.02 4488 81 + 4489 41 -20.120000 -34.276000 27.939000 80 " " L H 2 "LEU " " HG " 1 0 2 1 19.72 4489 81 + 4490 41 -21.107000 -32.930000 29.754000 80 " " L H 2 "LEU " "HD11" 1 0 2 1 22.26 4490 81 + 4491 41 -20.259000 -34.366000 30.374000 80 " " L H 2 "LEU " "HD12" 1 0 2 1 22.26 4491 81 + 4492 41 -19.499000 -32.761000 30.497000 80 " " L H 2 "LEU " "HD13" 1 0 2 1 22.26 4492 81 + 4493 41 -20.380000 -31.811000 27.669000 80 " " L H 2 "LEU " "HD21" 1 0 2 1 17.84 4493 81 + 4494 41 -18.711000 -31.584000 28.245000 80 " " L H 2 "LEU " "HD22" 1 0 2 1 17.84 4494 81 + 4495 41 -19.017000 -32.452000 26.721000 80 " " L H 2 "LEU " "HD23" 1 0 2 1 17.84 4495 81 + 4496 25 -19.983000 -37.132000 29.158000 81 " " E H 2 "GLU " " N " 7 0 2 1 20.82 4496 82 + 4497 3 -20.988000 -37.987000 28.553000 81 " " E H 2 "GLU " " CA " 6 0 2 1 21.71 4497 82 + 4498 2 -22.317000 -37.252000 28.490000 81 " " E H 2 "GLU " " C " 6 0 2 1 23.67 4498 82 + 4499 15 -22.831000 -36.778000 29.505000 81 " " E H 2 "GLU " " O " 8 0 2 1 25.6 4499 82 + 4500 3 -21.137000 -39.306000 29.318000 81 " " E H 2 "GLU " " CB " 6 0 2 1 22.97 4500 82 + 4501 3 -22.225000 -40.219000 28.736000 81 " " E H 2 "GLU " " CG " 6 0 2 1 27.45 4501 82 + 4502 2 -22.052000 -41.697000 29.085000 81 " " E H 2 "GLU " " CD " 6 0 2 1 34.03 4502 82 + 4503 15 -21.587000 -42.012000 30.203000 81 " " E H 2 "GLU " " OE1" 8 0 2 1 35.45 4503 82 + 4504 18 -22.404000 -42.547000 28.232000 81 " " E H 2 "GLU " " OE2" 8 -1 2 1 36.56 4504 82 + 4505 43 -20.059000 -36.939000 30.146000 81 " " E H 2 "GLU " " H " 1 0 2 1 20.82 4505 82 + 4506 41 -20.675000 -38.216000 27.534000 81 " " E H 2 "GLU " " HA " 1 0 2 1 21.71 4506 82 + 4507 41 -21.363000 -39.095000 30.363000 81 " " E H 2 "GLU " " HB3" 1 0 2 1 22.97 4507 82 + 4508 41 -20.183000 -39.834000 29.318000 81 " " E H 2 "GLU " " HB2" 1 0 2 1 22.97 4508 82 + 4509 41 -22.251000 -40.104000 27.652000 81 " " E H 2 "GLU " " HG3" 1 0 2 1 27.45 4509 82 + 4510 41 -23.203000 -39.879000 29.078000 81 " " E H 2 "GLU " " HG2" 1 0 2 1 27.45 4510 82 + 4511 25 -22.860000 -37.154000 27.283000 82 " " L H 2 "LEU " " N " 7 0 2 1 22.4 4511 83 + 4512 3 -24.136000 -36.493000 27.047000 82 " " L H 2 "LEU " " CA " 6 0 2 1 22.09 4512 83 + 4513 2 -25.123000 -37.557000 26.615000 82 " " L H 2 "LEU " " C " 6 0 2 1 23.5 4513 83 + 4514 15 -24.887000 -38.259000 25.640000 82 " " L H 2 "LEU " " O " 8 0 2 1 22.24 4514 83 + 4515 3 -23.985000 -35.428000 25.953000 82 " " L H 2 "LEU " " CB " 6 0 2 1 24.99 4515 83 + 4516 3 -22.894000 -34.383000 26.199000 82 " " L H 2 "LEU " " CG " 6 0 2 1 26.23 4516 83 + 4517 3 -22.503000 -33.679000 24.899000 82 " " L H 2 "LEU " " CD1" 6 0 2 1 27.3 4517 83 + 4518 3 -23.347000 -33.393000 27.244000 82 " " L H 2 "LEU " " CD2" 6 0 2 1 24.23 4518 83 + 4519 43 -22.386000 -37.547000 26.482000 82 " " L H 2 "LEU " " H " 1 0 2 1 22.4 4519 83 + 4520 41 -24.482000 -36.025000 27.969000 82 " " L H 2 "LEU " " HA " 1 0 2 1 22.09 4520 83 + 4521 41 -24.940000 -34.924000 25.807000 82 " " L H 2 "LEU " " HB3" 1 0 2 1 24.99 4521 83 + 4522 41 -23.805000 -35.918000 24.996000 82 " " L H 2 "LEU " " HB2" 1 0 2 1 24.99 4522 83 + 4523 41 -22.013000 -34.898000 26.582000 82 " " L H 2 "LEU " " HG " 1 0 2 1 26.23 4523 83 + 4524 41 -21.726000 -32.942000 25.104000 82 " " L H 2 "LEU " "HD11" 1 0 2 1 27.3 4524 83 + 4525 41 -22.128000 -34.413000 24.186000 82 " " L H 2 "LEU " "HD12" 1 0 2 1 27.3 4525 83 + 4526 41 -23.376000 -33.179000 24.479000 82 " " L H 2 "LEU " "HD13" 1 0 2 1 27.3 4526 83 + 4527 41 -22.562000 -32.655000 27.410000 82 " " L H 2 "LEU " "HD21" 1 0 2 1 24.23 4527 83 + 4528 41 -24.251000 -32.890000 26.901000 82 " " L H 2 "LEU " "HD22" 1 0 2 1 24.23 4528 83 + 4529 41 -23.555000 -33.918000 28.176000 82 " " L H 2 "LEU " "HD23" 1 0 2 1 24.23 4529 83 + 4530 25 -26.219000 -37.677000 27.353000 82 "A" A H 2 "ALA " " N " 7 0 0 1 23.07 4530 84 + 4531 3 -27.179000 -38.745000 27.139000 82 "A" A H 2 "ALA " " CA " 6 0 0 1 20.24 4531 84 + 4532 2 -28.380000 -38.244000 26.351000 82 "A" A H 2 "ALA " " C " 6 0 0 1 18.28 4532 84 + 4533 15 -28.635000 -37.036000 26.297000 82 "A" A H 2 "ALA " " O " 8 0 0 1 19.93 4533 84 + 4534 3 -27.616000 -39.318000 28.477000 82 "A" A H 2 "ALA " " CB " 6 0 0 1 22.54 4534 84 + 4535 43 -26.406000 -37.013000 28.091000 82 "A" A H 2 "ALA " " H " 1 0 0 1 23.07 4535 84 + 4536 41 -26.695000 -39.536000 26.566000 82 "A" A H 2 "ALA " " HA " 1 0 0 1 20.24 4536 84 + 4537 41 -28.336000 -40.119000 28.312000 82 "A" A H 2 "ALA " " HB1" 1 0 0 1 22.54 4537 84 + 4538 41 -26.748000 -39.714000 29.004000 82 "A" A H 2 "ALA " " HB2" 1 0 0 1 22.54 4538 84 + 4539 41 -28.078000 -38.533000 29.076000 82 "A" A H 2 "ALA " " HB3" 1 0 0 1 22.54 4539 84 + 4540 25 -29.077000 -39.178000 25.713000 82 "B" R H 2 "ARG " " N " 7 0 0 1 21.32 4540 85 + 4541 3 -30.400000 -38.940000 25.125000 82 "B" R H 2 "ARG " " CA " 6 0 0 1 27.25 4541 85 + 4542 2 -30.390000 -37.757000 24.164000 82 "B" R H 2 "ARG " " C " 6 0 0 1 23.92 4542 85 + 4543 15 -31.193000 -36.822000 24.273000 82 "B" R H 2 "ARG " " O " 8 0 0 1 23.63 4543 85 + 4544 3 -31.454000 -38.759000 26.222000 82 "B" R H 2 "ARG " " CB " 6 0 0 1 28.9 4544 85 + 4545 3 -31.717000 -40.015000 27.036000 82 "B" R H 2 "ARG " " CG " 6 0 0 1 33.67 4545 85 + 4546 3 -32.827000 -39.790000 28.060000 82 "B" R H 2 "ARG " " CD " 6 0 0 1 35.48 4546 85 + 4547 25 -32.442000 -38.765000 29.030000 82 "B" R H 2 "ARG " " NE " 7 0 0 1 39.43 4547 85 + 4548 2 -31.625000 -38.975000 30.059000 82 "B" R H 2 "ARG " " CZ " 6 0 0 1 43.49 4548 85 + 4549 25 -31.105000 -40.180000 30.275000 82 "B" R H 2 "ARG " " NH1" 7 0 0 1 41.7 4549 85 + 4550 31 -31.330000 -37.974000 30.878000 82 "B" R H 2 "ARG " " NH2" 7 1 0 1 46.09 4550 85 + 4551 43 -28.700000 -40.110000 25.613000 82 "B" R H 2 "ARG " " H " 1 0 0 1 21.32 4551 85 + 4552 41 -30.670000 -39.827000 24.552000 82 "B" R H 2 "ARG " " HA " 1 0 0 1 27.25 4552 85 + 4553 41 -32.387000 -38.417000 25.774000 82 "B" R H 2 "ARG " " HB3" 1 0 0 1 28.9 4553 85 + 4554 41 -31.147000 -37.954000 26.889000 82 "B" R H 2 "ARG " " HB2" 1 0 0 1 28.9 4554 85 + 4555 41 -30.803000 -40.312000 27.551000 82 "B" R H 2 "ARG " " HG3" 1 0 0 1 33.67 4555 85 + 4556 41 -32.000000 -40.828000 26.367000 82 "B" R H 2 "ARG " " HG2" 1 0 0 1 33.67 4556 85 + 4557 41 -33.034000 -40.724000 28.582000 82 "B" R H 2 "ARG " " HD3" 1 0 0 1 35.48 4557 85 + 4558 41 -33.737000 -39.480000 27.546000 82 "B" R H 2 "ARG " " HD2" 1 0 0 1 35.48 4558 85 + 4559 43 -32.840000 -37.849000 28.880000 82 "B" R H 2 "ARG " " HE " 1 0 0 1 39.43 4559 85 + 4560 43 -30.486000 -40.330000 31.059000 82 "B" R H 2 "ARG " "HH12" 1 0 0 1 41.7 4560 85 + 4561 43 -31.329000 -40.945000 29.655000 82 "B" R H 2 "ARG " "HH11" 1 0 0 1 41.7 4561 85 + 4562 44 -30.710000 -38.128000 31.661000 82 "B" R H 2 "ARG " "HH22" 1 0 0 1 46.09 4562 85 + 4563 44 -31.725000 -37.058000 30.719000 82 "B" R H 2 "ARG " "HH21" 1 0 0 1 46.09 4563 85 + 4564 25 -29.466000 -37.812000 23.216000 82 "C" L H 2 "LEU " " N " 7 0 0 1 22.78 4564 86 + 4565 3 -29.210000 -36.684000 22.333000 82 "C" L H 2 "LEU " " CA " 6 0 0 1 22.47 4565 86 + 4566 2 -30.396000 -36.309000 21.436000 82 "C" L H 2 "LEU " " C " 6 0 0 1 18.42 4566 86 + 4567 15 -31.117000 -37.166000 20.939000 82 "C" L H 2 "LEU " " O " 8 0 0 1 18.08 4567 86 + 4568 3 -27.946000 -36.931000 21.503000 82 "C" L H 2 "LEU " " CB " 6 0 0 1 22.08 4568 86 + 4569 3 -26.646000 -37.130000 22.290000 82 "C" L H 2 "LEU " " CG " 6 0 0 1 25.81 4569 86 + 4570 3 -25.517000 -37.499000 21.352000 82 "C" L H 2 "LEU " " CD1" 6 0 0 1 30.2 4570 86 + 4571 3 -26.267000 -35.904000 23.113000 82 "C" L H 2 "LEU " " CD2" 6 0 0 1 22.88 4571 86 + 4572 43 -28.919000 -38.652000 23.092000 82 "C" L H 2 "LEU " " H " 1 0 0 1 22.78 4572 86 + 4573 41 -29.008000 -35.822000 22.969000 82 "C" L H 2 "LEU " " HA " 1 0 0 1 22.47 4573 86 + 4574 41 -27.816000 -36.113000 20.795000 82 "C" L H 2 "LEU " " HB3" 1 0 0 1 22.08 4574 86 + 4575 41 -28.106000 -37.790000 20.851000 82 "C" L H 2 "LEU " " HB2" 1 0 0 1 22.08 4575 86 + 4576 41 -26.795000 -37.962000 22.978000 82 "C" L H 2 "LEU " " HG " 1 0 0 1 25.81 4576 86 + 4577 41 -24.599000 -37.637000 21.924000 82 "C" L H 2 "LEU " "HD11" 1 0 0 1 30.2 4577 86 + 4578 41 -25.764000 -38.425000 20.832000 82 "C" L H 2 "LEU " "HD12" 1 0 0 1 30.2 4578 86 + 4579 41 -25.374000 -36.701000 20.624000 82 "C" L H 2 "LEU " "HD13" 1 0 0 1 30.2 4579 86 + 4580 41 -25.339000 -36.099000 23.650000 82 "C" L H 2 "LEU " "HD21" 1 0 0 1 22.88 4580 86 + 4581 41 -26.130000 -35.049000 22.451000 82 "C" L H 2 "LEU " "HD22" 1 0 0 1 22.88 4581 86 + 4582 41 -27.061000 -35.686000 23.827000 82 "C" L H 2 "LEU " "HD23" 1 0 0 1 22.88 4582 86 + 4583 25 -30.586000 -35.005000 21.266000 83 " " T H 2 "THR " " N " 7 0 0 1 21.33 4583 87 + 4584 3 -31.550000 -34.452000 20.322000 83 " " T H 2 "THR " " CA " 6 0 0 1 23.57 4584 87 + 4585 2 -30.820000 -33.452000 19.417000 83 " " T H 2 "THR " " C " 6 0 0 1 25.34 4585 87 + 4586 15 -29.629000 -33.179000 19.609000 83 " " T H 2 "THR " " O " 8 0 0 1 20.51 4586 87 + 4587 3 -32.738000 -33.746000 21.046000 83 " " T H 2 "THR " " CB " 6 0 0 1 25.51 4587 87 + 4588 16 -32.268000 -32.614000 21.793000 83 " " T H 2 "THR " " OG1" 8 0 0 1 26.45 4588 87 + 4589 3 -33.448000 -34.705000 21.995000 83 " " T H 2 "THR " " CG2" 6 0 0 1 26.48 4589 87 + 4590 43 -30.048000 -34.342000 21.806000 83 " " T H 2 "THR " " H " 1 0 0 1 21.33 4590 87 + 4591 41 -31.944000 -35.261000 19.707000 83 " " T H 2 "THR " " HA " 1 0 0 1 23.57 4591 87 + 4592 41 -33.451000 -33.401000 20.297000 83 " " T H 2 "THR " " HB " 1 0 0 1 25.51 4592 87 + 4593 42 -31.705000 -32.915000 22.510000 83 " " T H 2 "THR " " HG1" 1 0 0 1 26.45 4593 87 + 4594 41 -34.272000 -34.187000 22.486000 83 " " T H 2 "THR " "HG21" 1 0 0 1 26.48 4594 87 + 4595 41 -33.837000 -35.553000 21.431000 83 " " T H 2 "THR " "HG22" 1 0 0 1 26.48 4595 87 + 4596 41 -32.743000 -35.061000 22.747000 83 " " T H 2 "THR " "HG23" 1 0 0 1 26.48 4596 87 + 4597 25 -31.534000 -32.912000 18.433000 84 " " S H 2 "SER " " N " 7 0 0 1 27.22 4597 88 + 4598 3 -31.006000 -31.850000 17.563000 84 " " S H 2 "SER " " CA " 6 0 0 1 28.75 4598 88 + 4599 2 -30.392000 -30.690000 18.347000 84 " " S H 2 "SER " " C " 6 0 0 1 30.21 4599 88 + 4600 15 -29.354000 -30.153000 17.945000 84 " " S H 2 "SER " " O " 8 0 0 1 31.61 4600 88 + 4601 3 -32.095000 -31.339000 16.610000 84 " " S H 2 "SER " " CB " 6 0 0 1 32.37 4601 88 + 4602 16 -33.194000 -30.798000 17.328000 84 " " S H 2 "SER " " OG " 8 0 0 1 37.25 4602 88 + 4603 43 -32.477000 -33.230000 18.260000 84 " " S H 2 "SER " " H " 1 0 0 1 27.22 4603 88 + 4604 41 -30.216000 -32.288000 16.953000 84 " " S H 2 "SER " " HA " 1 0 0 1 28.75 4604 88 + 4605 41 -32.441000 -32.159000 15.981000 84 " " S H 2 "SER " " HB3" 1 0 0 1 32.37 4605 88 + 4606 41 -31.676000 -30.573000 15.957000 84 " " S H 2 "SER " " HB2" 1 0 0 1 32.37 4606 88 + 4607 42 -33.859000 -30.487000 16.709000 84 " " S H 2 "SER " " HG " 1 0 0 1 37.25 4607 88 + 4608 25 -31.009000 -30.323000 19.469000 85 " " E H 2 "GLU " " N " 7 0 0 1 29.02 4608 89 + 4609 3 -30.468000 -29.259000 20.332000 85 " " E H 2 "GLU " " CA " 6 0 0 1 33.73 4609 89 + 4610 2 -29.022000 -29.532000 20.772000 85 " " E H 2 "GLU " " C " 6 0 0 1 27.92 4610 89 + 4611 15 -28.297000 -28.627000 21.201000 85 " " E H 2 "GLU " " O " 8 0 0 1 25.65 4611 89 + 4612 3 -31.354000 -29.049000 21.575000 85 " " E H 2 "GLU " " CB " 6 0 0 1 39.76 4612 89 + 4613 3 -32.871000 -29.145000 21.342000 85 " " E H 2 "GLU " " CG " 6 0 0 1 49.05 4613 89 + 4614 2 -33.456000 -27.949000 20.596000 85 " " E H 2 "GLU " " CD " 6 0 0 1 55.47 4614 89 + 4615 15 -32.754000 -26.919000 20.452000 85 " " E H 2 "GLU " " OE1" 8 0 0 1 59.41 4615 89 + 4616 18 -34.628000 -28.041000 20.157000 85 " " E H 2 "GLU " " OE2" 8 -1 0 1 55.4 4616 89 + 4617 43 -31.868000 -30.777000 19.745000 85 " " E H 2 "GLU " " H " 1 0 0 1 29.02 4617 89 + 4618 41 -30.472000 -28.331000 19.759000 85 " " E H 2 "GLU " " HA " 1 0 0 1 33.73 4618 89 + 4619 41 -31.120000 -28.084000 22.025000 85 " " E H 2 "GLU " " HB3" 1 0 0 1 39.76 4619 89 + 4620 41 -31.063000 -29.760000 22.348000 85 " " E H 2 "GLU " " HB2" 1 0 0 1 39.76 4620 89 + 4621 41 -33.378000 -29.256000 22.301000 85 " " E H 2 "GLU " " HG3" 1 0 0 1 49.05 4621 89 + 4622 41 -33.095000 -30.059000 20.792000 85 " " E H 2 "GLU " " HG2" 1 0 0 1 49.05 4622 89 + 4623 25 -28.598000 -30.786000 20.676000 86 " " D H 2 "ASP " " N " 7 0 0 1 24.69 4623 90 + 4624 3 -27.296000 -31.165000 21.215000 86 " " D H 2 "ASP " " CA " 6 0 0 1 20.37 4624 90 + 4625 2 -26.159000 -31.079000 20.192000 86 " " D H 2 "ASP " " C " 6 0 0 1 18.42 4625 90 + 4626 15 -24.997000 -31.162000 20.571000 86 " " D H 2 "ASP " " O " 8 0 0 1 19.03 4626 90 + 4627 3 -27.376000 -32.550000 21.857000 86 " " D H 2 "ASP " " CB " 6 0 0 1 25.61 4627 90 + 4628 2 -28.298000 -32.574000 23.068000 86 " " D H 2 "ASP " " CG " 6 0 0 1 28.34 4628 90 + 4629 15 -28.159000 -31.698000 23.950000 86 " " D H 2 "ASP " " OD1" 8 0 0 1 29.36 4629 90 + 4630 18 -29.167000 -33.466000 23.140000 86 " " D H 2 "ASP " " OD2" 8 -1 0 1 26.62 4630 90 + 4631 43 -29.177000 -31.482000 20.229000 86 " " D H 2 "ASP " " H " 1 0 0 1 24.69 4631 90 + 4632 41 -27.063000 -30.458000 22.011000 86 " " D H 2 "ASP " " HA " 1 0 0 1 20.37 4632 90 + 4633 41 -26.377000 -32.869000 22.155000 86 " " D H 2 "ASP " " HB3" 1 0 0 1 25.61 4633 90 + 4634 41 -27.728000 -33.272000 21.120000 86 " " D H 2 "ASP " " HB2" 1 0 0 1 25.61 4634 90 + 4635 25 -26.488000 -30.916000 18.907000 87 " " S H 2 "SER " " N " 7 0 0 1 19.58 4635 91 + 4636 3 -25.442000 -30.668000 17.892000 87 " " S H 2 "SER " " CA " 6 0 0 1 21.06 4636 91 + 4637 2 -24.777000 -29.321000 18.164000 87 " " S H 2 "SER " " C " 6 0 0 1 20.98 4637 91 + 4638 15 -25.452000 -28.271000 18.153000 87 " " S H 2 "SER " " O " 8 0 0 1 18.43 4638 91 + 4639 3 -26.013000 -30.702000 16.480000 87 " " S H 2 "SER " " CB " 6 0 0 1 20.66 4639 91 + 4640 16 -26.586000 -31.958000 16.195000 87 " " S H 2 "SER " " OG " 8 0 0 1 18.57 4640 91 + 4641 43 -27.456000 -30.962000 18.624000 87 " " S H 2 "SER " " H " 1 0 0 1 19.58 4641 91 + 4642 41 -24.687000 -31.449000 17.977000 87 " " S H 2 "SER " " HA " 1 0 0 1 21.06 4642 91 + 4643 41 -25.219000 -30.494000 15.762000 87 " " S H 2 "SER " " HB3" 1 0 0 1 20.66 4643 91 + 4644 41 -26.771000 -29.925000 16.376000 87 " " S H 2 "SER " " HB2" 1 0 0 1 20.66 4644 91 + 4645 42 -27.319000 -31.845000 15.585000 87 " " S H 2 "SER " " HG " 1 0 0 1 18.57 4645 91 + 4646 25 -23.469000 -29.356000 18.427000 88 " " A H 2 "ALA " " N " 7 0 2 1 17.62 4646 92 + 4647 3 -22.698000 -28.176000 18.847000 88 " " A H 2 "ALA " " CA " 6 0 2 1 17.91 4647 92 + 4648 2 -21.223000 -28.537000 18.951000 88 " " A H 2 "ALA " " C " 6 0 2 1 20.6 4648 92 + 4649 15 -20.853000 -29.693000 18.791000 88 " " A H 2 "ALA " " O " 8 0 2 1 19.99 4649 92 + 4650 3 -23.207000 -27.660000 20.216000 88 " " A H 2 "ALA " " CB " 6 0 2 1 18.42 4650 92 + 4651 43 -22.960000 -30.224000 18.341000 88 " " A H 2 "ALA " " H " 1 0 2 1 17.62 4651 92 + 4652 41 -22.820000 -27.389000 18.103000 88 " " A H 2 "ALA " " HA " 1 0 2 1 17.91 4652 92 + 4653 41 -22.627000 -26.787000 20.514000 88 " " A H 2 "ALA " " HB1" 1 0 2 1 18.42 4653 92 + 4654 41 -24.259000 -27.386000 20.133000 88 " " A H 2 "ALA " " HB2" 1 0 2 1 18.42 4654 92 + 4655 41 -23.094000 -28.444000 20.965000 88 " " A H 2 "ALA " " HB3" 1 0 2 1 18.42 4655 92 + 4656 25 -20.392000 -27.530000 19.210000 89 " " I H 2 "ILE " " N " 7 0 2 1 19.81 4656 93 + 4657 3 -19.010000 -27.721000 19.591000 89 " " I H 2 "ILE " " CA " 6 0 2 1 19.42 4657 93 + 4658 2 -18.971000 -27.757000 21.113000 89 " " I H 2 "ILE " " C " 6 0 2 1 18.21 4658 93 + 4659 15 -19.628000 -26.958000 21.779000 89 " " I H 2 "ILE " " O " 8 0 2 1 23.57 4659 93 + 4660 3 -18.105000 -26.579000 19.050000 89 " " I H 2 "ILE " " CB " 6 0 2 1 21.51 4660 93 + 4661 3 -18.151000 -26.568000 17.512000 89 " " I H 2 "ILE " " CG1" 6 0 2 1 24.67 4661 93 + 4662 3 -16.665000 -26.721000 19.586000 89 " " I H 2 "ILE " " CG2" 6 0 2 1 22.23 4662 93 + 4663 3 -17.486000 -25.343000 16.859000 89 " " I H 2 "ILE " " CD1" 6 0 2 1 31.46 4663 93 + 4664 43 -20.718000 -26.576000 19.144000 89 " " I H 2 "ILE " " H " 1 0 2 1 19.81 4664 93 + 4665 41 -18.658000 -28.675000 19.200000 89 " " I H 2 "ILE " " HA " 1 0 2 1 19.42 4665 93 + 4666 41 -18.507000 -25.631000 19.407000 89 " " I H 2 "ILE " " HB " 1 0 2 1 21.51 4666 93 + 4667 41 -19.188000 -26.635000 17.181000 89 " " I H 2 "ILE " "HG13" 1 0 2 1 24.67 4667 93 + 4668 41 -17.686000 -27.477000 17.131000 89 " " I H 2 "ILE " "HG12" 1 0 2 1 24.67 4668 93 + 4669 41 -16.049000 -25.911000 19.194000 89 " " I H 2 "ILE " "HG21" 1 0 2 1 22.23 4669 93 + 4670 41 -16.676000 -26.675000 20.675000 89 " " I H 2 "ILE " "HG22" 1 0 2 1 22.23 4670 93 + 4671 41 -16.251000 -27.678000 19.268000 89 " " I H 2 "ILE " "HG23" 1 0 2 1 22.23 4671 93 + 4672 41 -17.566000 -25.420000 15.775000 89 " " I H 2 "ILE " "HD11" 1 0 2 1 31.46 4672 93 + 4673 41 -17.986000 -24.435000 17.196000 89 " " I H 2 "ILE " "HD12" 1 0 2 1 31.46 4673 93 + 4674 41 -16.434000 -25.305000 17.143000 89 " " I H 2 "ILE " "HD13" 1 0 2 1 31.46 4674 93 + 4675 25 -18.233000 -28.720000 21.652000 90 " " Y H 2 "TYR " " N " 7 0 2 1 19.52 4675 94 + 4676 3 -18.045000 -28.842000 23.094000 90 " " Y H 2 "TYR " " CA " 6 0 2 1 18.72 4676 94 + 4677 2 -16.573000 -28.675000 23.407000 90 " " Y H 2 "TYR " " C " 6 0 2 1 21.3 4677 94 + 4678 15 -15.717000 -29.368000 22.814000 90 " " Y H 2 "TYR " " O " 8 0 2 1 21.24 4678 94 + 4679 3 -18.570000 -30.198000 23.603000 90 " " Y H 2 "TYR " " CB " 6 0 2 1 20.99 4679 94 + 4680 2 -20.064000 -30.330000 23.443000 90 " " Y H 2 "TYR " " CG " 6 0 2 1 19.69 4680 94 + 4681 2 -20.620000 -30.810000 22.254000 90 " " Y H 2 "TYR " " CD1" 6 0 2 1 18.68 4681 94 + 4682 2 -20.930000 -29.942000 24.476000 90 " " Y H 2 "TYR " " CD2" 6 0 2 1 20.33 4682 94 + 4683 2 -22.021000 -30.912000 22.099000 90 " " Y H 2 "TYR " " CE1" 6 0 2 1 18.78 4683 94 + 4684 2 -22.311000 -30.032000 24.333000 90 " " Y H 2 "TYR " " CE2" 6 0 2 1 19.8 4684 94 + 4685 2 -22.850000 -30.523000 23.149000 90 " " Y H 2 "TYR " " CZ " 6 0 2 1 17.36 4685 94 + 4686 16 -24.216000 -30.612000 23.010000 90 " " Y H 2 "TYR " " OH " 8 0 2 1 17.63 4686 94 + 4687 43 -17.779000 -29.400000 21.059000 90 " " Y H 2 "TYR " " H " 1 0 2 1 19.52 4687 94 + 4688 41 -18.600000 -28.044000 23.588000 90 " " Y H 2 "TYR " " HA " 1 0 2 1 18.72 4688 94 + 4689 41 -18.306000 -30.318000 24.654000 90 " " Y H 2 "TYR " " HB3" 1 0 2 1 20.99 4689 94 + 4690 41 -18.075000 -31.004000 23.062000 90 " " Y H 2 "TYR " " HB2" 1 0 2 1 20.99 4690 94 + 4691 41 -19.977000 -31.109000 21.439000 90 " " Y H 2 "TYR " " HD1" 1 0 2 1 18.68 4691 94 + 4692 41 -20.528000 -29.565000 25.405000 90 " " Y H 2 "TYR " " HD2" 1 0 2 1 20.33 4692 94 + 4693 41 -22.436000 -31.288000 21.175000 90 " " Y H 2 "TYR " " HE1" 1 0 2 1 18.78 4693 94 + 4694 41 -22.959000 -29.721000 25.139000 90 " " Y H 2 "TYR " " HE2" 1 0 2 1 19.8 4694 94 + 4695 42 -24.433000 -30.815000 22.097000 90 " " Y H 2 "TYR " " HH " 1 0 2 1 17.63 4695 94 + 4696 25 -16.273000 -27.745000 24.320000 91 " " Y H 2 "TYR " " N " 7 0 2 1 18.08 4696 95 + 4697 3 -14.913000 -27.514000 24.773000 91 " " Y H 2 "TYR " " CA " 6 0 2 1 21.17 4697 95 + 4698 2 -14.696000 -28.034000 26.179000 91 " " Y H 2 "TYR " " C " 6 0 2 1 22.46 4698 95 + 4699 15 -15.591000 -27.943000 27.022000 91 " " Y H 2 "TYR " " O " 8 0 2 1 21.16 4699 95 + 4700 3 -14.611000 -26.025000 24.844000 91 " " Y H 2 "TYR " " CB " 6 0 2 1 19.43 4700 95 + 4701 2 -14.598000 -25.309000 23.542000 91 " " Y H 2 "TYR " " CG " 6 0 2 1 21.4 4701 95 + 4702 2 -13.485000 -25.379000 22.705000 91 " " Y H 2 "TYR " " CD1" 6 0 2 1 22.84 4702 95 + 4703 2 -15.681000 -24.508000 23.159000 91 " " Y H 2 "TYR " " CD2" 6 0 2 1 22.76 4703 95 + 4704 2 -13.463000 -24.696000 21.487000 91 " " Y H 2 "TYR " " CE1" 6 0 2 1 23.74 4704 95 + 4705 2 -15.670000 -23.829000 21.949000 91 " " Y H 2 "TYR " " CE2" 6 0 2 1 23.77 4705 95 + 4706 2 -14.551000 -23.926000 21.124000 91 " " Y H 2 "TYR " " CZ " 6 0 2 1 24.64 4706 95 + 4707 16 -14.517000 -23.243000 19.926000 91 " " Y H 2 "TYR " " OH " 8 0 2 1 27.32 4707 95 + 4708 43 -17.005000 -27.174000 24.719000 91 " " Y H 2 "TYR " " H " 1 0 2 1 18.08 4708 95 + 4709 41 -14.213000 -27.998000 24.092000 91 " " Y H 2 "TYR " " HA " 1 0 2 1 21.17 4709 95 + 4710 41 -13.656000 -25.875000 25.347000 91 " " Y H 2 "TYR " " HB3" 1 0 2 1 19.43 4710 95 + 4711 41 -15.326000 -25.544000 25.512000 91 " " Y H 2 "TYR " " HB2" 1 0 2 1 19.43 4711 95 + 4712 41 -12.627000 -25.966000 22.996000 91 " " Y H 2 "TYR " " HD1" 1 0 2 1 22.84 4712 95 + 4713 41 -16.539000 -24.413000 23.808000 91 " " Y H 2 "TYR " " HD2" 1 0 2 1 22.76 4713 95 + 4714 41 -12.602000 -24.773000 20.840000 91 " " Y H 2 "TYR " " HE1" 1 0 2 1 23.74 4714 95 + 4715 41 -16.522000 -23.234000 21.656000 91 " " Y H 2 "TYR " " HE2" 1 0 2 1 23.77 4715 95 + 4716 42 -15.336000 -22.756000 19.811000 91 " " Y H 2 "TYR " " HH " 1 0 2 1 27.32 4716 95 + 4717 25 -13.495000 -28.531000 26.444000 92 " " C H 2 "CYS " " N " 7 0 2 1 19.29 4717 96 + 4718 3 -13.015000 -28.559000 27.840000 92 " " C H 2 "CYS " " CA " 6 0 2 1 19.08 4718 96 + 4719 2 -12.116000 -27.327000 28.050000 92 " " C H 2 "CYS " " C " 6 0 2 1 23.07 4719 96 + 4720 15 -11.537000 -26.809000 27.105000 92 " " C H 2 "CYS " " O " 8 0 2 1 21.31 4720 96 + 4721 3 -12.259000 -29.844000 28.148000 92 " " C H 2 "CYS " " CB " 6 0 2 1 22.09 4721 96 + 4722 49 -10.777000 -30.115000 27.159000 92 " " C H 2 "CYS " " SG " 16 0 2 1 25.32 4722 96 + 4723 43 -12.919000 -28.886000 25.694000 92 " " C H 2 "CYS " " H " 1 0 2 1 19.29 4723 96 + 4724 41 -13.873000 -28.487000 28.509000 92 " " C H 2 "CYS " " HA " 1 0 2 1 19.08 4724 96 + 4725 41 -12.931000 -30.694000 28.031000 92 " " C H 2 "CYS " " HB3" 1 0 2 1 22.09 4725 96 + 4726 41 -11.995000 -29.862000 29.205000 92 " " C H 2 "CYS " " HB2" 1 0 2 1 22.09 4726 96 + 4727 25 -12.019000 -26.850000 29.285000 93 " " A H 2 "ALA " " N " 7 0 2 1 22.35 4727 97 + 4728 3 -11.232000 -25.658000 29.575000 93 " " A H 2 "ALA " " CA " 6 0 2 1 22.83 4728 97 + 4729 2 -10.787000 -25.740000 31.026000 93 " " A H 2 "ALA " " C " 6 0 2 1 23.8 4729 97 + 4730 15 -11.549000 -26.200000 31.881000 93 " " A H 2 "ALA " " O " 8 0 2 1 22.27 4730 97 + 4731 3 -12.055000 -24.391000 29.325000 93 " " A H 2 "ALA " " CB " 6 0 2 1 21.82 4731 97 + 4732 43 -12.496000 -27.315000 30.045000 93 " " A H 2 "ALA " " H " 1 0 2 1 22.35 4732 97 + 4733 41 -10.352000 -25.645000 28.932000 93 " " A H 2 "ALA " " HA " 1 0 2 1 22.83 4733 97 + 4734 41 -11.448000 -23.513000 29.548000 93 " " A H 2 "ALA " " HB1" 1 0 2 1 21.82 4734 97 + 4735 41 -12.368000 -24.360000 28.281000 93 " " A H 2 "ALA " " HB2" 1 0 2 1 21.82 4735 97 + 4736 41 -12.935000 -24.396000 29.968000 93 " " A H 2 "ALA " " HB3" 1 0 2 1 21.82 4736 97 + 4737 25 -9.564000 -25.288000 31.296000 94 " " R H 2 "ARG " " N " 7 0 2 1 19 4737 98 + 4738 3 -8.979000 -25.355000 32.614000 94 " " R H 2 "ARG " " CA " 6 0 2 1 21.71 4738 98 + 4739 2 -9.158000 -24.010000 33.331000 94 " " R H 2 "ARG " " C " 6 0 2 1 25.4 4739 98 + 4740 15 -8.998000 -22.960000 32.715000 94 " " R H 2 "ARG " " O " 8 0 2 1 24.59 4740 98 + 4741 3 -7.478000 -25.622000 32.442000 94 " " R H 2 "ARG " " CB " 6 0 2 1 26.1 4741 98 + 4742 3 -6.734000 -25.970000 33.682000 94 " " R H 2 "ARG " " CG " 6 0 2 1 30.32 4742 98 + 4743 3 -5.230000 -26.007000 33.404000 94 " " R H 2 "ARG " " CD " 6 0 2 1 30.15 4743 98 + 4744 25 -4.598000 -24.684000 33.434000 94 " " R H 2 "ARG " " NE " 7 0 2 1 27.07 4744 98 + 4745 2 -3.311000 -24.496000 33.736000 94 " " R H 2 "ARG " " CZ " 6 0 2 1 26.43 4745 98 + 4746 25 -2.539000 -25.538000 34.015000 94 " " R H 2 "ARG " " NH1" 7 0 2 1 22.83 4746 98 + 4747 31 -2.791000 -23.275000 33.758000 94 " " R H 2 "ARG " " NH2" 7 1 2 1 27.65 4747 98 + 4748 43 -9.004000 -24.877000 30.563000 94 " " R H 2 "ARG " " H " 1 0 2 1 19 4748 98 + 4749 41 -9.441000 -26.155000 33.192000 94 " " R H 2 "ARG " " HA " 1 0 2 1 21.71 4749 98 + 4750 41 -7.010000 -24.757000 31.973000 94 " " R H 2 "ARG " " HB3" 1 0 2 1 26.1 4750 98 + 4751 41 -7.335000 -26.411000 31.704000 94 " " R H 2 "ARG " " HB2" 1 0 2 1 26.1 4751 98 + 4752 41 -7.061000 -26.946000 34.040000 94 " " R H 2 "ARG " " HG3" 1 0 2 1 30.32 4752 98 + 4753 41 -6.943000 -25.227000 34.451000 94 " " R H 2 "ARG " " HG2" 1 0 2 1 30.32 4753 98 + 4754 41 -5.053000 -26.471000 32.434000 94 " " R H 2 "ARG " " HD3" 1 0 2 1 30.15 4754 98 + 4755 41 -4.744000 -26.657000 34.131000 94 " " R H 2 "ARG " " HD2" 1 0 2 1 30.15 4755 98 + 4756 43 -5.185000 -23.893000 33.212000 94 " " R H 2 "ARG " " HE " 1 0 2 1 27.07 4756 98 + 4757 43 -1.565000 -25.398000 34.244000 94 " " R H 2 "ARG " "HH12" 1 0 2 1 22.83 4757 98 + 4758 43 -2.925000 -26.471000 33.999000 94 " " R H 2 "ARG " "HH11" 1 0 2 1 22.83 4758 98 + 4759 44 -1.816000 -23.145000 33.988000 94 " " R H 2 "ARG " "HH22" 1 0 2 1 27.65 4759 98 + 4760 44 -3.370000 -22.476000 33.545000 94 " " R H 2 "ARG " "HH21" 1 0 2 1 27.65 4760 98 + 4761 25 -9.478000 -24.029000 34.620000 95 " " D H 2 "ASP " " N " 7 0 2 1 23.18 4761 99 + 4762 3 -9.310000 -22.797000 35.389000 95 " " D H 2 "ASP " " CA " 6 0 2 1 23.71 4762 99 + 4763 2 -7.900000 -22.753000 35.984000 95 " " D H 2 "ASP " " C " 6 0 2 1 24.19 4763 99 + 4764 15 -7.173000 -23.753000 35.917000 95 " " D H 2 "ASP " " O " 8 0 2 1 26.48 4764 99 + 4765 3 -10.472000 -22.523000 36.375000 95 " " D H 2 "ASP " " CB " 6 0 2 1 25.71 4765 99 + 4766 2 -10.392000 -23.311000 37.673000 95 " " D H 2 "ASP " " CG " 6 0 2 1 28.65 4766 99 + 4767 15 -9.375000 -23.219000 38.398000 95 " " D H 2 "ASP " " OD1" 8 0 2 1 28.59 4767 99 + 4768 18 -11.402000 -23.980000 38.007000 95 " " D H 2 "ASP " " OD2" 8 -1 2 1 26.78 4768 99 + 4769 43 -9.826000 -24.878000 35.041000 95 " " D H 2 "ASP " " H " 1 0 2 1 23.18 4769 99 + 4770 41 -9.347000 -21.988000 34.660000 95 " " D H 2 "ASP " " HA " 1 0 2 1 23.71 4770 99 + 4771 41 -11.421000 -22.734000 35.882000 95 " " D H 2 "ASP " " HB3" 1 0 2 1 25.71 4771 99 + 4772 41 -10.510000 -21.457000 36.601000 95 " " D H 2 "ASP " " HB2" 1 0 2 1 25.71 4772 99 + 4773 25 -7.478000 -21.605000 36.508000 96 " " W H 2 "TRP " " N " 7 0 0 1 20.36 4773 100 + 4774 3 -6.142000 -21.531000 37.107000 96 " " W H 2 "TRP " " CA " 6 0 0 1 22.64 4774 100 + 4775 2 -6.190000 -21.106000 38.573000 96 " " W H 2 "TRP " " C " 6 0 0 1 20.04 4775 100 + 4776 15 -5.275000 -20.442000 39.090000 96 " " W H 2 "TRP " " O " 8 0 0 1 19.44 4776 100 + 4777 3 -5.183000 -20.670000 36.266000 96 " " W H 2 "TRP " " CB " 6 0 0 1 26.82 4777 100 + 4778 2 -5.714000 -19.324000 35.783000 96 " " W H 2 "TRP " " CG " 6 0 0 1 26.6 4778 100 + 4779 2 -6.832000 -19.093000 35.020000 96 " " W H 2 "TRP " " CD1" 6 0 0 1 28.47 4779 100 + 4780 2 -5.087000 -18.048000 35.968000 96 " " W H 2 "TRP " " CD2" 6 0 0 1 26.64 4780 100 + 4781 25 -6.958000 -17.742000 34.757000 96 " " W H 2 "TRP " " NE1" 7 0 0 1 29.69 4781 100 + 4782 2 -5.898000 -17.082000 35.323000 96 " " W H 2 "TRP " " CE2" 6 0 0 1 26.92 4782 100 + 4783 2 -3.934000 -17.626000 36.640000 96 " " W H 2 "TRP " " CE3" 6 0 0 1 25.74 4783 100 + 4784 2 -5.588000 -15.718000 35.328000 96 " " W H 2 "TRP " " CZ2" 6 0 0 1 28.56 4784 100 + 4785 2 -3.625000 -16.274000 36.648000 96 " " W H 2 "TRP " " CZ3" 6 0 0 1 28.18 4785 100 + 4786 2 -4.446000 -15.333000 35.992000 96 " " W H 2 "TRP " " CH2" 6 0 0 1 28.38 4786 100 + 4787 43 -8.077000 -20.792000 36.491000 96 " " W H 2 "TRP " " H " 1 0 0 1 20.36 4787 100 + 4788 41 -5.741000 -22.544000 37.092000 96 " " W H 2 "TRP " " HA " 1 0 0 1 22.64 4788 100 + 4789 41 -4.840000 -21.249000 35.409000 96 " " W H 2 "TRP " " HB3" 1 0 0 1 26.82 4789 100 + 4790 41 -4.260000 -20.512000 36.824000 96 " " W H 2 "TRP " " HB2" 1 0 0 1 26.82 4790 100 + 4791 41 -7.460000 -19.918000 34.719000 96 " " W H 2 "TRP " " HD1" 1 0 0 1 28.47 4791 100 + 4792 43 -7.745000 -17.403000 34.223000 96 " " W H 2 "TRP " " HE1" 1 0 0 1 29.69 4792 100 + 4793 41 -3.305000 -18.348000 37.139000 96 " " W H 2 "TRP " " HE3" 1 0 0 1 25.74 4793 100 + 4794 41 -6.235000 -15.015000 34.824000 96 " " W H 2 "TRP " " HZ2" 1 0 0 1 28.56 4794 100 + 4795 41 -2.742000 -15.925000 37.163000 96 " " W H 2 "TRP " " HZ3" 1 0 0 1 28.18 4795 100 + 4796 41 -4.162000 -14.291000 36.018000 96 " " W H 2 "TRP " " HH2" 1 0 0 1 28.38 4796 100 + 4797 25 -7.266000 -21.524000 39.242000 97 " " E H 2 "GLU " " N " 7 0 0 1 19.97 4797 101 + 4798 3 -7.444000 -21.326000 40.686000 97 " " E H 2 "GLU " " CA " 6 0 0 1 16.94 4798 101 + 4799 2 -7.451000 -19.833000 41.080000 97 " " E H 2 "GLU " " C " 6 0 0 1 17.77 4799 101 + 4800 15 -6.984000 -19.444000 42.152000 97 " " E H 2 "GLU " " O " 8 0 0 1 15.9 4800 101 + 4801 3 -6.434000 -22.176000 41.501000 97 " " E H 2 "GLU " " CB " 6 0 0 1 18.5 4801 101 + 4802 3 -6.961000 -22.556000 42.881000 97 " " E H 2 "GLU " " CG " 6 0 0 1 16.05 4802 101 + 4803 2 -6.095000 -23.542000 43.654000 97 " " E H 2 "GLU " " CD " 6 0 0 1 17.11 4803 101 + 4804 15 -6.568000 -23.973000 44.720000 97 " " E H 2 "GLU " " OE1" 8 0 0 1 17.24 4804 101 + 4805 18 -4.949000 -23.882000 43.239000 97 " " E H 2 "GLU " " OE2" 8 -1 0 1 18.74 4805 101 + 4806 43 -8.009000 -22.003000 38.754000 97 " " E H 2 "GLU " " H " 1 0 0 1 19.97 4806 101 + 4807 41 -8.434000 -21.711000 40.928000 97 " " E H 2 "GLU " " HA " 1 0 0 1 16.94 4807 101 + 4808 41 -5.500000 -21.624000 41.609000 97 " " E H 2 "GLU " " HB3" 1 0 0 1 18.5 4808 101 + 4809 41 -6.190000 -23.081000 40.945000 97 " " E H 2 "GLU " " HB2" 1 0 0 1 18.5 4809 101 + 4810 41 -7.968000 -22.961000 42.783000 97 " " E H 2 "GLU " " HG3" 1 0 0 1 16.05 4810 101 + 4811 41 -7.098000 -21.653000 43.476000 97 " " E H 2 "GLU " " HG2" 1 0 0 1 16.05 4811 101 + 4812 25 -8.013000 -19.019000 40.184000 98 " " R H 2 "ARG " " N " 7 0 0 1 19.55 4812 102 + 4813 3 -8.272000 -17.591000 40.441000 98 " " R H 2 "ARG " " CA " 6 0 0 1 21.12 4813 102 + 4814 2 -9.768000 -17.284000 40.326000 98 " " R H 2 "ARG " " C " 6 0 0 1 20.1 4814 102 + 4815 15 -10.165000 -16.116000 40.359000 98 " " R H 2 "ARG " " O " 8 0 0 1 19.29 4815 102 + 4816 3 -7.548000 -16.708000 39.401000 98 " " R H 2 "ARG " " CB " 6 0 0 1 24.07 4816 102 + 4817 3 -6.109000 -17.073000 39.131000 98 " " R H 2 "ARG " " CG " 6 0 0 1 31.57 4817 102 + 4818 3 -5.241000 -16.894000 40.360000 98 " " R H 2 "ARG " " CD " 6 0 0 1 31.98 4818 102 + 4819 25 -5.258000 -15.503000 40.821000 98 " " R H 2 "ARG " " NE " 7 0 0 1 30.62 4819 102 + 4820 2 -4.707000 -15.083000 41.953000 98 " " R H 2 "ARG " " CZ " 6 0 0 1 27.33 4820 102 + 4821 25 -4.088000 -15.953000 42.742000 98 " " R H 2 "ARG " " NH1" 7 0 0 1 21.67 4821 102 + 4822 31 -4.780000 -13.787000 42.291000 98 " " R H 2 "ARG " " NH2" 7 1 0 1 24.44 4822 102 + 4823 43 -8.283000 -19.375000 39.278000 98 " " R H 2 "ARG " " H " 1 0 0 1 19.55 4823 102 + 4824 41 -7.924000 -17.333000 41.441000 98 " " R H 2 "ARG " " HA " 1 0 0 1 21.12 4824 102 + 4825 41 -7.603000 -15.665000 39.714000 98 " " R H 2 "ARG " " HB3" 1 0 0 1 24.07 4825 102 + 4826 41 -8.105000 -16.724000 38.464000 98 " " R H 2 "ARG " " HB2" 1 0 0 1 24.07 4826 102 + 4827 41 -5.723000 -16.453000 38.321000 98 " " R H 2 "ARG " " HG3" 1 0 0 1 31.57 4827 102 + 4828 41 -6.054000 -18.109000 38.796000 98 " " R H 2 "ARG " " HG2" 1 0 0 1 31.57 4828 102 + 4829 41 -4.217000 -17.187000 40.127000 98 " " R H 2 "ARG " " HD3" 1 0 0 1 31.98 4829 102 + 4830 41 -5.601000 -17.545000 41.157000 98 " " R H 2 "ARG " " HD2" 1 0 0 1 31.98 4830 102 + 4831 43 -5.728000 -14.847000 40.214000 98 " " R H 2 "ARG " " HE " 1 0 0 1 30.62 4831 102 + 4832 43 -3.666000 -15.641000 43.605000 98 " " R H 2 "ARG " "HH12" 1 0 0 1 21.67 4832 102 + 4833 43 -4.039000 -16.927000 42.479000 98 " " R H 2 "ARG " "HH11" 1 0 0 1 21.67 4833 102 + 4834 44 -4.361000 -13.465000 43.152000 98 " " R H 2 "ARG " "HH22" 1 0 0 1 24.44 4834 102 + 4835 44 -5.254000 -13.133000 41.684000 98 " " R H 2 "ARG " "HH21" 1 0 0 1 24.44 4835 102 + 4836 25 -10.588000 -18.326000 40.192000 99 " " G H 2 "GLY " " N " 7 0 0 1 21.06 4836 103 + 4837 3 -12.015000 -18.164000 39.905000 99 " " G H 2 "GLY " " CA " 6 0 0 1 25.04 4837 103 + 4838 2 -12.458000 -19.048000 38.741000 99 " " G H 2 "GLY " " C " 6 0 0 1 25.15 4838 103 + 4839 15 -11.661000 -19.807000 38.177000 99 " " G H 2 "GLY " " O " 8 0 0 1 23.7 4839 103 + 4840 43 -10.230000 -19.266000 40.288000 99 " " G H 2 "GLY " " H " 1 0 0 1 21.06 4840 103 + 4841 41 -12.221000 -17.120000 39.667000 99 " " G H 2 "GLY " " HA3" 1 0 0 1 25.04 4841 103 + 4842 41 -12.595000 -18.416000 40.793000 99 " " G H 2 "GLY " " HA2" 1 0 0 1 25.04 4842 103 + 4843 25 -13.734000 -18.947000 38.372000 100 " " D H 2 "ASP " " N " 7 0 0 1 18.03 4843 104 + 4844 3 -14.295000 -19.858000 37.382000 100 " " D H 2 "ASP " " CA " 6 0 0 1 20.99 4844 104 + 4845 2 -14.276000 -19.239000 35.995000 100 " " D H 2 "ASP " " C " 6 0 0 1 18.65 4845 104 + 4846 15 -15.323000 -18.917000 35.398000 100 " " D H 2 "ASP " " O " 8 0 0 1 22.78 4846 104 + 4847 3 -15.671000 -20.348000 37.827000 100 " " D H 2 "ASP " " CB " 6 0 0 1 21.53 4847 104 + 4848 2 -15.577000 -21.247000 39.064000 100 " " D H 2 "ASP " " CG " 6 0 0 1 20.49 4848 104 + 4849 15 -14.785000 -22.221000 39.039000 100 " " D H 2 "ASP " " OD1" 8 0 0 1 24.17 4849 104 + 4850 18 -16.248000 -20.959000 40.073000 100 " " D H 2 "ASP " " OD2" 8 -1 0 1 24.96 4850 104 + 4851 43 -14.322000 -18.234000 38.779000 100 " " D H 2 "ASP " " H " 1 0 0 1 18.03 4851 104 + 4852 41 -13.643000 -20.731000 37.349000 100 " " D H 2 "ASP " " HA " 1 0 0 1 20.99 4852 104 + 4853 41 -16.140000 -20.900000 37.013000 100 " " D H 2 "ASP " " HB3" 1 0 0 1 21.53 4853 104 + 4854 41 -16.307000 -19.491000 38.049000 100 " " D H 2 "ASP " " HB2" 1 0 0 1 21.53 4854 104 + 4855 25 -13.050000 -19.055000 35.515000 100 "A" F H 2 "PHE " " N " 7 0 0 1 19.99 4855 105 + 4856 3 -12.762000 -18.548000 34.181000 100 "A" F H 2 "PHE " " CA " 6 0 0 1 22.35 4856 105 + 4857 2 -11.439000 -19.190000 33.732000 100 "A" F H 2 "PHE " " C " 6 0 0 1 21.41 4857 105 + 4858 15 -10.681000 -19.710000 34.561000 100 "A" F H 2 "PHE " " O " 8 0 0 1 20.97 4858 105 + 4859 3 -12.738000 -17.014000 34.162000 100 "A" F H 2 "PHE " " CB " 6 0 0 1 24.09 4859 105 + 4860 2 -11.697000 -16.408000 35.054000 100 "A" F H 2 "PHE " " CG " 6 0 0 1 20.31 4860 105 + 4861 2 -10.428000 -16.145000 34.564000 100 "A" F H 2 "PHE " " CD1" 6 0 0 1 22.58 4861 105 + 4862 2 -11.990000 -16.085000 36.380000 100 "A" F H 2 "PHE " " CD2" 6 0 0 1 21.95 4862 105 + 4863 2 -9.450000 -15.573000 35.387000 100 "A" F H 2 "PHE " " CE1" 6 0 0 1 22.28 4863 105 + 4864 2 -11.018000 -15.526000 37.211000 100 "A" F H 2 "PHE " " CE2" 6 0 0 1 22.91 4864 105 + 4865 2 -9.745000 -15.273000 36.716000 100 "A" F H 2 "PHE " " CZ " 6 0 0 1 23.69 4865 105 + 4866 43 -12.246000 -19.271000 36.087000 100 "A" F H 2 "PHE " " H " 1 0 0 1 19.99 4866 105 + 4867 41 -13.551000 -18.886000 33.509000 100 "A" F H 2 "PHE " " HA " 1 0 0 1 22.35 4867 105 + 4868 41 -13.720000 -16.634000 34.443000 100 "A" F H 2 "PHE " " HB3" 1 0 0 1 24.09 4868 105 + 4869 41 -12.584000 -16.668000 33.140000 100 "A" F H 2 "PHE " " HB2" 1 0 0 1 24.09 4869 105 + 4870 41 -10.185000 -16.381000 33.538000 100 "A" F H 2 "PHE " " HD1" 1 0 0 1 22.58 4870 105 + 4871 41 -12.979000 -16.267000 36.774000 100 "A" F H 2 "PHE " " HD2" 1 0 0 1 21.95 4871 105 + 4872 41 -8.467000 -15.364000 34.992000 100 "A" F H 2 "PHE " " HE1" 1 0 0 1 22.28 4872 105 + 4873 41 -11.256000 -15.291000 38.238000 100 "A" F H 2 "PHE " " HE2" 1 0 0 1 22.91 4873 105 + 4874 41 -8.986000 -14.846000 37.355000 100 "A" F H 2 "PHE " " HZ " 1 0 0 1 23.69 4874 105 + 4875 25 -11.173000 -19.162000 32.429000 100 "K" F H 2 "PHE " " N " 7 0 2 1 21.09 4875 106 + 4876 3 -10.379000 -20.240000 31.807000 100 "K" F H 2 "PHE " " CA " 6 0 2 1 23.2 4876 106 + 4877 2 -9.178000 -19.770000 30.998000 100 "K" F H 2 "PHE " " C " 6 0 2 1 21.35 4877 106 + 4878 15 -9.324000 -19.036000 30.013000 100 "K" F H 2 "PHE " " O " 8 0 2 1 24.79 4878 106 + 4879 3 -11.314000 -21.155000 30.987000 100 "K" F H 2 "PHE " " CB " 6 0 2 1 22.27 4879 106 + 4880 2 -12.618000 -21.382000 31.664000 100 "K" F H 2 "PHE " " CG " 6 0 2 1 20.37 4880 106 + 4881 2 -12.646000 -21.996000 32.917000 100 "K" F H 2 "PHE " " CD1" 6 0 2 1 22.25 4881 106 + 4882 2 -13.802000 -20.881000 31.138000 100 "K" F H 2 "PHE " " CD2" 6 0 2 1 20.77 4882 106 + 4883 2 -13.851000 -22.148000 33.603000 100 "K" F H 2 "PHE " " CE1" 6 0 2 1 24.8 4883 106 + 4884 2 -14.993000 -21.046000 31.812000 100 "K" F H 2 "PHE " " CE2" 6 0 2 1 22.1 4884 106 + 4885 2 -15.020000 -21.681000 33.047000 100 "K" F H 2 "PHE " " CZ " 6 0 2 1 24.72 4885 106 + 4886 43 -11.515000 -18.401000 31.860000 100 "K" F H 2 "PHE " " H " 1 0 2 1 21.09 4886 106 + 4887 41 -9.986000 -20.847000 32.623000 100 "K" F H 2 "PHE " " HA " 1 0 2 1 23.2 4887 106 + 4888 41 -10.824000 -22.113000 30.814000 100 "K" F H 2 "PHE " " HB3" 1 0 2 1 22.27 4888 106 + 4889 41 -11.487000 -20.711000 30.007000 100 "K" F H 2 "PHE " " HB2" 1 0 2 1 22.27 4889 106 + 4890 41 -11.731000 -22.357000 33.362000 100 "K" F H 2 "PHE " " HD1" 1 0 2 1 22.25 4890 106 + 4891 41 -13.794000 -20.357000 30.194000 100 "K" F H 2 "PHE " " HD2" 1 0 2 1 20.77 4891 106 + 4892 41 -13.865000 -22.631000 34.569000 100 "K" F H 2 "PHE " " HE1" 1 0 2 1 24.8 4892 106 + 4893 41 -15.913000 -20.681000 31.380000 100 "K" F H 2 "PHE " " HE2" 1 0 2 1 22.1 4893 106 + 4894 41 -15.956000 -21.809000 33.571000 100 "K" F H 2 "PHE " " HZ " 1 0 2 1 24.72 4894 106 + 4895 25 -7.998000 -20.217000 31.431000 101 " " D H 2 "ASP " " N " 7 0 2 1 20.27 4895 107 + 4896 3 -6.752000 -19.832000 30.781000 101 " " D H 2 "ASP " " CA " 6 0 2 1 23.29 4896 107 + 4897 2 -6.393000 -20.706000 29.572000 101 " " D H 2 "ASP " " C " 6 0 2 1 25.57 4897 107 + 4898 15 -5.909000 -20.190000 28.568000 101 " " D H 2 "ASP " " O " 8 0 2 1 30.15 4898 107 + 4899 3 -5.577000 -19.677000 31.779000 101 " " D H 2 "ASP " " CB " 6 0 2 1 24 4899 107 + 4900 2 -5.194000 -20.972000 32.514000 101 " " D H 2 "ASP " " CG " 6 0 2 1 26.43 4900 107 + 4901 15 -5.917000 -21.996000 32.492000 101 " " D H 2 "ASP " " OD1" 8 0 2 1 25.53 4901 107 + 4902 18 -4.113000 -20.968000 33.147000 101 " " D H 2 "ASP " " OD2" 8 -1 2 1 27.87 4902 107 + 4903 43 -7.954000 -20.837000 32.227000 101 " " D H 2 "ASP " " H " 1 0 2 1 20.27 4903 107 + 4904 41 -6.928000 -18.834000 30.379000 101 " " D H 2 "ASP " " HA " 1 0 2 1 23.29 4904 107 + 4905 41 -5.823000 -18.906000 32.510000 101 " " D H 2 "ASP " " HB3" 1 0 2 1 24 4905 107 + 4906 41 -4.705000 -19.289000 31.253000 101 " " D H 2 "ASP " " HB2" 1 0 2 1 24 4906 107 + 4907 25 -6.647000 -22.012000 29.654000 102 " " Y H 2 "TYR " " N " 7 0 2 1 22.21 4907 108 + 4908 3 -6.341000 -22.915000 28.545000 102 " " Y H 2 "TYR " " CA " 6 0 2 1 20.88 4908 108 + 4909 2 -7.586000 -23.690000 28.137000 102 " " Y H 2 "TYR " " C " 6 0 2 1 21.87 4909 108 + 4910 15 -8.299000 -24.216000 28.985000 102 " " Y H 2 "TYR " " O " 8 0 2 1 22.85 4910 108 + 4911 3 -5.192000 -23.871000 28.888000 102 " " Y H 2 "TYR " " CB " 6 0 2 1 25.73 4911 108 + 4912 2 -3.851000 -23.167000 29.005000 102 " " Y H 2 "TYR " " CG " 6 0 2 1 28.16 4912 108 + 4913 2 -3.034000 -22.985000 27.889000 102 " " Y H 2 "TYR " " CD1" 6 0 2 1 27.19 4913 108 + 4914 2 -3.414000 -22.677000 30.229000 102 " " Y H 2 "TYR " " CD2" 6 0 2 1 27.04 4914 108 + 4915 2 -1.803000 -22.317000 27.999000 102 " " Y H 2 "TYR " " CE1" 6 0 2 1 29.58 4915 108 + 4916 2 -2.196000 -22.021000 30.349000 102 " " Y H 2 "TYR " " CE2" 6 0 2 1 28.93 4916 108 + 4917 2 -1.404000 -21.837000 29.231000 102 " " Y H 2 "TYR " " CZ " 6 0 2 1 28.77 4917 108 + 4918 16 -0.197000 -21.192000 29.372000 102 " " Y H 2 "TYR " " OH " 8 0 2 1 30.3 4918 108 + 4919 43 -7.058000 -22.395000 30.493000 102 " " Y H 2 "TYR " " H " 1 0 2 1 22.21 4919 108 + 4920 41 -6.030000 -22.308000 27.695000 102 " " Y H 2 "TYR " " HA " 1 0 2 1 20.88 4920 108 + 4921 41 -5.128000 -24.648000 28.126000 102 " " Y H 2 "TYR " " HB3" 1 0 2 1 25.73 4921 108 + 4922 41 -5.415000 -24.384000 29.824000 102 " " Y H 2 "TYR " " HB2" 1 0 2 1 25.73 4922 108 + 4923 41 -3.345000 -23.360000 26.925000 102 " " Y H 2 "TYR " " HD1" 1 0 2 1 27.19 4923 108 + 4924 41 -4.025000 -22.803000 31.110000 102 " " Y H 2 "TYR " " HD2" 1 0 2 1 27.04 4924 108 + 4925 41 -1.181000 -22.184000 27.126000 102 " " Y H 2 "TYR " " HE1" 1 0 2 1 29.58 4925 108 + 4926 41 -1.871000 -21.657000 31.313000 102 " " Y H 2 "TYR " " HE2" 1 0 2 1 28.93 4926 108 + 4927 42 0.162000 -20.990000 28.505000 102 " " Y H 2 "TYR " " HH " 1 0 2 1 30.3 4927 108 + 4928 25 -7.831000 -23.733000 26.833000 103 " " W H 2 "TRP " " N " 7 0 2 1 20.95 4928 109 + 4929 3 -9.001000 -24.399000 26.271000 103 " " W H 2 "TRP " " CA " 6 0 2 1 24.14 4929 109 + 4930 2 -8.550000 -25.527000 25.362000 103 " " W H 2 "TRP " " C " 6 0 2 1 23.21 4930 109 + 4931 15 -7.514000 -25.424000 24.700000 103 " " W H 2 "TRP " " O " 8 0 2 1 21.06 4931 109 + 4932 3 -9.827000 -23.406000 25.430000 103 " " W H 2 "TRP " " CB " 6 0 2 1 22.64 4932 109 + 4933 2 -10.489000 -22.258000 26.198000 103 " " W H 2 "TRP " " CG " 6 0 2 1 24.26 4933 109 + 4934 2 -9.856000 -21.241000 26.872000 103 " " W H 2 "TRP " " CD1" 6 0 2 1 20.56 4934 109 + 4935 2 -11.903000 -22.010000 26.332000 103 " " W H 2 "TRP " " CD2" 6 0 2 1 23.35 4935 109 + 4936 25 -10.793000 -20.394000 27.434000 103 " " W H 2 "TRP " " NE1" 7 0 2 1 22.07 4936 109 + 4937 2 -12.053000 -20.840000 27.121000 103 " " W H 2 "TRP " " CE2" 6 0 2 1 24.71 4937 109 + 4938 2 -13.056000 -22.686000 25.898000 103 " " W H 2 "TRP " " CE3" 6 0 2 1 20.61 4938 109 + 4939 2 -13.318000 -20.312000 27.459000 103 " " W H 2 "TRP " " CZ2" 6 0 2 1 20.55 4939 109 + 4940 2 -14.315000 -22.161000 26.224000 103 " " W H 2 "TRP " " CZ3" 6 0 2 1 22.22 4940 109 + 4941 2 -14.433000 -20.985000 26.997000 103 " " W H 2 "TRP " " CH2" 6 0 2 1 23.63 4941 109 + 4942 43 -7.194000 -23.293000 26.185000 103 " " W H 2 "TRP " " H " 1 0 2 1 20.95 4942 109 + 4943 41 -9.617000 -24.800000 27.076000 103 " " W H 2 "TRP " " HA " 1 0 2 1 24.14 4943 109 + 4944 41 -10.589000 -23.953000 24.874000 103 " " W H 2 "TRP " " HB3" 1 0 2 1 22.64 4944 109 + 4945 41 -9.199000 -22.995000 24.640000 103 " " W H 2 "TRP " " HB2" 1 0 2 1 22.64 4945 109 + 4946 41 -8.777000 -21.200000 26.899000 103 " " W H 2 "TRP " " HD1" 1 0 2 1 20.56 4946 109 + 4947 43 -10.492000 -19.596000 27.975000 103 " " W H 2 "TRP " " HE1" 1 0 2 1 22.07 4947 109 + 4948 41 -12.964000 -23.595000 25.323000 103 " " W H 2 "TRP " " HE3" 1 0 2 1 20.61 4948 109 + 4949 41 -13.387000 -19.415000 28.057000 103 " " W H 2 "TRP " " HZ2" 1 0 2 1 20.55 4949 109 + 4950 41 -15.212000 -22.657000 25.883000 103 " " W H 2 "TRP " " HZ3" 1 0 2 1 22.22 4950 109 + 4951 41 -15.421000 -20.614000 27.225000 103 " " W H 2 "TRP " " HH2" 1 0 2 1 23.63 4951 109 + 4952 25 -9.357000 -26.583000 25.290000 104 " " G H 2 "GLY " " N " 7 0 0 1 19.74 4952 110 + 4953 3 -9.174000 -27.610000 24.293000 104 " " G H 2 "GLY " " CA " 6 0 0 1 20.99 4953 110 + 4954 2 -9.561000 -27.055000 22.936000 104 " " G H 2 "GLY " " C " 6 0 0 1 21.69 4954 110 + 4955 15 -10.092000 -25.937000 22.832000 104 " " G H 2 "GLY " " O " 8 0 0 1 19.52 4955 110 + 4956 43 -10.121000 -26.680000 25.944000 104 " " G H 2 "GLY " " H " 1 0 0 1 19.74 4956 110 + 4957 41 -9.809000 -28.464000 24.530000 104 " " G H 2 "GLY " " HA3" 1 0 0 1 20.99 4957 110 + 4958 41 -8.128000 -27.916000 24.275000 104 " " G H 2 "GLY " " HA2" 1 0 0 1 20.99 4958 110 + 4959 25 -9.326000 -27.849000 21.897000 105 " " Q H 2 "GLN " " N " 7 0 0 1 19.4 4959 111 + 4960 3 -9.569000 -27.396000 20.523000 105 " " Q H 2 "GLN " " CA " 6 0 0 1 20.93 4960 111 + 4961 2 -11.056000 -27.492000 20.102000 105 " " Q H 2 "GLN " " C " 6 0 0 1 23.37 4961 111 + 4962 15 -11.431000 -27.040000 19.013000 105 " " Q H 2 "GLN " " O " 8 0 0 1 25.4 4962 111 + 4963 3 -8.629000 -28.142000 19.544000 105 " " Q H 2 "GLN " " CB " 6 0 0 1 24.81 4963 111 + 4964 3 -9.104000 -29.526000 19.038000 105 " " Q H 2 "GLN " " CG " 6 0 0 1 24.95 4964 111 + 4965 2 -8.779000 -30.685000 19.972000 105 " " Q H 2 "GLN " " CD " 6 0 0 1 23.35 4965 111 + 4966 15 -8.524000 -30.498000 21.159000 105 " " Q H 2 "GLN " " OE1" 8 0 0 1 24.48 4966 111 + 4967 25 -8.807000 -31.903000 19.430000 105 " " Q H 2 "GLN " " NE2" 7 0 0 1 25.16 4967 111 + 4968 43 -8.973000 -28.784000 22.045000 105 " " Q H 2 "GLN " " H " 1 0 0 1 19.4 4968 111 + 4969 41 -9.296000 -26.342000 20.484000 105 " " Q H 2 "GLN " " HA " 1 0 0 1 20.93 4969 111 + 4970 41 -7.645000 -28.246000 20.001000 105 " " Q H 2 "GLN " " HB3" 1 0 0 1 24.81 4970 111 + 4971 41 -8.420000 -27.500000 18.688000 105 " " Q H 2 "GLN " " HB2" 1 0 0 1 24.81 4971 111 + 4972 41 -8.670000 -29.720000 18.057000 105 " " Q H 2 "GLN " " HG3" 1 0 0 1 24.95 4972 111 + 4973 41 -10.179000 -29.496000 18.860000 105 " " Q H 2 "GLN " " HG2" 1 0 0 1 24.95 4973 111 + 4974 43 -8.601000 -32.713000 19.997000 105 " " Q H 2 "GLN " "HE22" 1 0 0 1 25.16 4974 111 + 4975 43 -9.035000 -32.016000 18.452000 105 " " Q H 2 "GLN " "HE21" 1 0 0 1 25.16 4975 111 + 4976 25 -11.883000 -28.085000 20.968000 106 " " G H 2 "GLY " " N " 7 0 0 1 19.16 4976 112 + 4977 3 -13.294000 -28.299000 20.691000 106 " " G H 2 "GLY " " CA " 6 0 0 1 20.27 4977 112 + 4978 2 -13.538000 -29.632000 20.009000 106 " " G H 2 "GLY " " C " 6 0 0 1 20.93 4978 112 + 4979 15 -12.679000 -30.119000 19.252000 106 " " G H 2 "GLY " " O " 8 0 0 1 20.91 4979 112 + 4980 43 -11.535000 -28.407000 21.860000 106 " " G H 2 "GLY " " H " 1 0 0 1 19.16 4980 112 + 4981 41 -13.665000 -27.494000 20.057000 106 " " G H 2 "GLY " " HA3" 1 0 0 1 20.27 4981 112 + 4982 41 -13.857000 -28.261000 21.624000 106 " " G H 2 "GLY " " HA2" 1 0 0 1 20.27 4982 112 + 4983 25 -14.704000 -30.219000 20.293000 107 " " T H 2 "THR " " N " 7 0 2 1 18.71 4983 113 + 4984 3 -15.169000 -31.453000 19.657000 107 " " T H 2 "THR " " CA " 6 0 2 1 17.66 4984 113 + 4985 2 -16.549000 -31.196000 19.031000 107 " " T H 2 "THR " " C " 6 0 2 1 20.49 4985 113 + 4986 15 -17.497000 -30.794000 19.723000 107 " " T H 2 "THR " " O " 8 0 2 1 20.26 4986 113 + 4987 3 -15.320000 -32.615000 20.693000 107 " " T H 2 "THR " " CB " 6 0 2 1 20.39 4987 113 + 4988 16 -14.042000 -32.963000 21.233000 107 " " T H 2 "THR " " OG1" 8 0 2 1 23.84 4988 113 + 4989 3 -15.941000 -33.859000 20.060000 107 " " T H 2 "THR " " CG2" 6 0 2 1 22.5 4989 113 + 4990 43 -15.320000 -29.811000 20.981000 107 " " T H 2 "THR " " H " 1 0 2 1 18.71 4990 113 + 4991 41 -14.466000 -31.749000 18.879000 107 " " T H 2 "THR " " HA " 1 0 2 1 17.66 4991 113 + 4992 41 -15.963000 -32.278000 21.506000 107 " " T H 2 "THR " " HB " 1 0 2 1 20.39 4992 113 + 4993 42 -13.591000 -33.558000 20.630000 107 " " T H 2 "THR " " HG1" 1 0 2 1 23.84 4993 113 + 4994 41 -16.029000 -34.644000 20.811000 107 " " T H 2 "THR " "HG21" 1 0 2 1 22.5 4994 113 + 4995 41 -16.930000 -33.615000 19.672000 107 " " T H 2 "THR " "HG22" 1 0 2 1 22.5 4995 113 + 4996 41 -15.307000 -34.207000 19.244000 107 " " T H 2 "THR " "HG23" 1 0 2 1 22.5 4996 113 + 4997 25 -16.664000 -31.406000 17.728000 108 " " L H 2 "LEU " " N " 7 0 2 1 19.78 4997 114 + 4998 3 -17.941000 -31.166000 17.076000 108 " " L H 2 "LEU " " CA " 6 0 2 1 20.31 4998 114 + 4999 2 -18.786000 -32.434000 17.131000 108 " " L H 2 "LEU " " C " 6 0 2 1 20.82 4999 114 + 5000 15 -18.375000 -33.505000 16.644000 108 " " L H 2 "LEU " " O " 8 0 2 1 18.13 5000 114 + 5001 3 -17.766000 -30.676000 15.628000 108 " " L H 2 "LEU " " CB " 6 0 2 1 20.37 5001 114 + 5002 3 -19.066000 -30.429000 14.832000 108 " " L H 2 "LEU " " CG " 6 0 2 1 23.13 5002 114 + 5003 3 -19.834000 -29.240000 15.381000 108 " " L H 2 "LEU " " CD1" 6 0 2 1 23.27 5003 114 + 5004 3 -18.785000 -30.201000 13.363000 108 " " L H 2 "LEU " " CD2" 6 0 2 1 23.21 5004 114 + 5005 43 -15.869000 -31.730000 17.197000 108 " " L H 2 "LEU " " H " 1 0 2 1 19.78 5005 114 + 5006 41 -18.463000 -30.389000 17.634000 108 " " L H 2 "LEU " " HA " 1 0 2 1 20.31 5006 114 + 5007 41 -17.139000 -31.382000 15.083000 108 " " L H 2 "LEU " " HB3" 1 0 2 1 20.37 5007 114 + 5008 41 -17.165000 -29.766000 15.626000 108 " " L H 2 "LEU " " HB2" 1 0 2 1 20.37 5008 114 + 5009 41 -19.696000 -31.314000 14.925000 108 " " L H 2 "LEU " " HG " 1 0 2 1 23.13 5009 114 + 5010 41 -20.743000 -29.094000 14.798000 108 " " L H 2 "LEU " "HD11" 1 0 2 1 23.27 5010 114 + 5011 41 -20.096000 -29.426000 16.422000 108 " " L H 2 "LEU " "HD12" 1 0 2 1 23.27 5011 114 + 5012 41 -19.214000 -28.346000 15.317000 108 " " L H 2 "LEU " "HD13" 1 0 2 1 23.27 5012 114 + 5013 41 -19.723000 -30.031000 12.835000 108 " " L H 2 "LEU " "HD21" 1 0 2 1 23.21 5013 114 + 5014 41 -18.140000 -29.330000 13.247000 108 " " L H 2 "LEU " "HD22" 1 0 2 1 23.21 5014 114 + 5015 41 -18.289000 -31.078000 12.947000 108 " " L H 2 "LEU " "HD23" 1 0 2 1 23.21 5015 114 + 5016 25 -19.961000 -32.300000 17.735000 109 " " V H 2 "VAL " " N " 7 0 2 1 16.24 5016 115 + 5017 3 -20.928000 -33.400000 17.801000 109 " " V H 2 "VAL " " CA " 6 0 2 1 17.12 5017 115 + 5018 2 -22.104000 -33.090000 16.884000 109 " " V H 2 "VAL " " C " 6 0 2 1 18.26 5018 115 + 5019 15 -22.744000 -32.047000 17.041000 109 " " V H 2 "VAL " " O " 8 0 2 1 19.38 5019 115 + 5020 3 -21.427000 -33.653000 19.271000 109 " " V H 2 "VAL " " CB " 6 0 2 1 19.2 5020 115 + 5021 3 -22.499000 -34.740000 19.319000 109 " " V H 2 "VAL " " CG1" 6 0 2 1 24.63 5021 115 + 5022 3 -20.265000 -34.010000 20.187000 109 " " V H 2 "VAL " " CG2" 6 0 2 1 17.99 5022 115 + 5023 43 -20.210000 -31.421000 18.166000 109 " " V H 2 "VAL " " H " 1 0 2 1 16.24 5023 115 + 5024 41 -20.442000 -34.307000 17.442000 109 " " V H 2 "VAL " " HA " 1 0 2 1 17.12 5024 115 + 5025 41 -21.871000 -32.728000 19.638000 109 " " V H 2 "VAL " " HB " 1 0 2 1 19.2 5025 115 + 5026 41 -22.821000 -34.889000 20.350000 109 " " V H 2 "VAL " "HG11" 1 0 2 1 24.63 5026 115 + 5027 41 -23.352000 -34.436000 18.713000 109 " " V H 2 "VAL " "HG12" 1 0 2 1 24.63 5027 115 + 5028 41 -22.090000 -35.672000 18.929000 109 " " V H 2 "VAL " "HG13" 1 0 2 1 24.63 5028 115 + 5029 41 -20.637000 -34.180000 21.197000 109 " " V H 2 "VAL " "HG21" 1 0 2 1 17.99 5029 115 + 5030 41 -19.779000 -34.915000 19.822000 109 " " V H 2 "VAL " "HG22" 1 0 2 1 17.99 5030 115 + 5031 41 -19.546000 -33.191000 20.198000 109 " " V H 2 "VAL " "HG23" 1 0 2 1 17.99 5031 115 + 5032 25 -22.382000 -33.987000 15.930000 110 " " T H 2 "THR " " N " 7 0 2 1 16.39 5032 116 + 5033 3 -23.544000 -33.878000 15.049000 110 " " T H 2 "THR " " CA " 6 0 2 1 14.86 5033 116 + 5034 2 -24.532000 -34.998000 15.358000 110 " " T H 2 "THR " " C " 6 0 2 1 18.27 5034 116 + 5035 15 -24.205000 -36.185000 15.240000 110 " " T H 2 "THR " " O " 8 0 2 1 16.63 5035 116 + 5036 3 -23.122000 -33.941000 13.550000 110 " " T H 2 "THR " " CB " 6 0 2 1 16.41 5036 116 + 5037 16 -22.148000 -32.914000 13.285000 110 " " T H 2 "THR " " OG1" 8 0 2 1 16.65 5037 116 + 5038 3 -24.346000 -33.791000 12.611000 110 " " T H 2 "THR " " CG2" 6 0 2 1 16.63 5038 116 + 5039 43 -21.776000 -34.784000 15.794000 110 " " T H 2 "THR " " H " 1 0 2 1 16.39 5039 116 + 5040 41 -24.033000 -32.921000 15.234000 110 " " T H 2 "THR " " HA " 1 0 2 1 14.86 5040 116 + 5041 41 -22.660000 -34.910000 13.362000 110 " " T H 2 "THR " " HB " 1 0 2 1 16.41 5041 116 + 5042 42 -21.531000 -33.222000 12.617000 110 " " T H 2 "THR " " HG1" 1 0 2 1 16.65 5042 116 + 5043 41 -24.016000 -33.839000 11.573000 110 " " T H 2 "THR " "HG21" 1 0 2 1 16.63 5043 116 + 5044 41 -25.054000 -34.597000 12.805000 110 " " T H 2 "THR " "HG22" 1 0 2 1 16.63 5044 116 + 5045 41 -24.829000 -32.831000 12.794000 110 " " T H 2 "THR " "HG23" 1 0 2 1 16.63 5045 116 + 5046 25 -25.745000 -34.618000 15.758000 111 " " V H 2 "VAL " " N " 7 0 2 1 19.81 5046 117 + 5047 3 -26.795000 -35.589000 16.057000 111 " " V H 2 "VAL " " CA " 6 0 2 1 18.66 5047 117 + 5048 2 -27.625000 -35.800000 14.790000 111 " " V H 2 "VAL " " C " 6 0 2 1 21.22 5048 117 + 5049 15 -28.250000 -34.862000 14.276000 111 " " V H 2 "VAL " " O " 8 0 2 1 21.16 5049 117 + 5050 3 -27.712000 -35.119000 17.225000 111 " " V H 2 "VAL " " CB " 6 0 2 1 21.3 5050 117 + 5051 3 -28.800000 -36.161000 17.498000 111 " " V H 2 "VAL " " CG1" 6 0 2 1 21.71 5051 117 + 5052 3 -26.903000 -34.869000 18.480000 111 " " V H 2 "VAL " " CG2" 6 0 2 1 19.35 5052 117 + 5053 43 -25.958000 -33.636000 15.862000 111 " " V H 2 "VAL " " H " 1 0 2 1 19.81 5053 117 + 5054 41 -26.330000 -36.535000 16.334000 111 " " V H 2 "VAL " " HA " 1 0 2 1 18.66 5054 117 + 5055 41 -28.193000 -34.186000 16.932000 111 " " V H 2 "VAL " " HB " 1 0 2 1 21.3 5055 117 + 5056 41 -29.434000 -35.820000 18.317000 111 " " V H 2 "VAL " "HG11" 1 0 2 1 21.71 5056 117 + 5057 41 -29.406000 -36.297000 16.602000 111 " " V H 2 "VAL " "HG12" 1 0 2 1 21.71 5057 117 + 5058 41 -28.336000 -37.109000 17.770000 111 " " V H 2 "VAL " "HG13" 1 0 2 1 21.71 5058 117 + 5059 41 -27.566000 -34.542000 19.281000 111 " " V H 2 "VAL " "HG21" 1 0 2 1 19.35 5059 117 + 5060 41 -26.400000 -35.789000 18.778000 111 " " V H 2 "VAL " "HG22" 1 0 2 1 19.35 5060 117 + 5061 41 -26.160000 -34.096000 18.286000 111 " " V H 2 "VAL " "HG23" 1 0 2 1 19.35 5061 117 + 5062 25 -27.604000 -37.024000 14.274000 112 " " S H 2 "SER " " N " 7 0 0 1 19 5062 118 + 5063 3 -28.281000 -37.330000 13.003000 112 " " S H 2 "SER " " CA " 6 0 0 1 21.89 5063 118 + 5064 2 -28.487000 -38.816000 12.877000 112 " " S H 2 "SER " " C " 6 0 0 1 20.34 5064 118 + 5065 15 -27.659000 -39.594000 13.353000 112 " " S H 2 "SER " " O " 8 0 0 1 21.53 5065 118 + 5066 3 -27.447000 -36.820000 11.810000 112 " " S H 2 "SER " " CB " 6 0 0 1 24.68 5066 118 + 5067 16 -27.977000 -37.303000 10.576000 112 " " S H 2 "SER " " OG " 8 0 0 1 23.27 5067 118 + 5068 43 -27.117000 -37.767000 14.755000 112 " " S H 2 "SER " " H " 1 0 0 1 19 5068 118 + 5069 41 -29.253000 -36.836000 12.992000 112 " " S H 2 "SER " " HA " 1 0 0 1 21.89 5069 118 + 5070 41 -26.416000 -37.156000 11.918000 112 " " S H 2 "SER " " HB3" 1 0 0 1 24.68 5070 118 + 5071 41 -27.450000 -35.730000 11.805000 112 " " S H 2 "SER " " HB2" 1 0 0 1 24.68 5071 118 + 5072 42 -28.418000 -36.586000 10.114000 112 " " S H 2 "SER " " HG " 1 0 0 1 23.27 5072 118 + 5073 25 -29.597000 -39.205000 12.246000 113 " " S H 2 "SER " " N " 7 0 0 1 21.36 5073 119 + 5074 3 -29.892000 -40.599000 11.922000 113 " " S H 2 "SER " " CA " 6 0 0 1 23.29 5074 119 + 5075 2 -29.272000 -41.048000 10.586000 113 " " S H 2 "SER " " C " 6 0 0 1 24.72 5075 119 + 5076 15 -29.301000 -42.233000 10.254000 113 " " S H 2 "SER " " O " 8 0 0 1 26.44 5076 119 + 5077 3 -31.412000 -40.845000 11.921000 113 " " S H 2 "SER " " CB " 6 0 0 1 28.8 5077 119 + 5078 16 -32.081000 -39.896000 11.098000 113 " " S H 2 "SER " " OG " 8 0 0 1 30.28 5078 119 + 5079 43 -30.285000 -38.521000 11.967000 113 " " S H 2 "SER " " H " 1 0 0 1 21.36 5079 119 + 5080 41 -29.460000 -41.217000 12.709000 113 " " S H 2 "SER " " HA " 1 0 0 1 23.29 5080 119 + 5081 41 -31.792000 -40.773000 12.940000 113 " " S H 2 "SER " " HB3" 1 0 0 1 28.8 5081 119 + 5082 41 -31.617000 -41.851000 11.555000 113 " " S H 2 "SER " " HB2" 1 0 0 1 28.8 5082 119 + 5083 42 -33.025000 -40.068000 11.113000 113 " " S H 2 "SER " " HG " 1 0 0 1 30.28 5083 119 + 5084 25 -28.691000 -40.108000 9.842000 114 " " A H 2 "ALA " " N " 7 0 0 1 21.57 5084 120 + 5085 3 -28.052000 -40.417000 8.563000 114 " " A H 2 "ALA " " CA " 6 0 0 1 23.17 5085 120 + 5086 2 -26.701000 -41.102000 8.741000 114 " " A H 2 "ALA " " C " 6 0 0 1 25.84 5086 120 + 5087 15 -26.004000 -40.853000 9.719000 114 " " A H 2 "ALA " " O " 8 0 0 1 26.77 5087 120 + 5088 3 -27.894000 -39.173000 7.733000 114 " " A H 2 "ALA " " CB " 6 0 0 1 21.65 5088 120 + 5089 43 -28.683000 -39.148000 10.157000 114 " " A H 2 "ALA " " H " 1 0 0 1 21.57 5089 120 + 5090 41 -28.704000 -41.101000 8.020000 114 " " A H 2 "ALA " " HA " 1 0 0 1 23.17 5090 120 + 5091 41 -27.417000 -39.426000 6.786000 114 " " A H 2 "ALA " " HB1" 1 0 0 1 21.65 5091 120 + 5092 41 -28.874000 -38.737000 7.540000 114 " " A H 2 "ALA " " HB2" 1 0 0 1 21.65 5092 120 + 5093 41 -27.276000 -38.453000 8.270000 114 " " A H 2 "ALA " " HB3" 1 0 0 1 21.65 5093 120 + 5094 25 -26.347000 -41.966000 7.788000 115 " " S H 2 "SER " " N " 7 0 0 1 24.58 5094 121 + 5095 3 -25.075000 -42.684000 7.820000 115 " " S H 2 "SER " " CA " 6 0 0 1 26.63 5095 121 + 5096 2 -23.937000 -41.744000 7.480000 115 " " S H 2 "SER " " C " 6 0 0 1 23.73 5096 121 + 5097 15 -24.117000 -40.793000 6.711000 115 " " S H 2 "SER " " O " 8 0 0 1 22.76 5097 121 + 5098 3 -25.091000 -43.860000 6.839000 115 " " S H 2 "SER " " CB " 6 0 0 1 28.87 5098 121 + 5099 16 -26.025000 -44.840000 7.248000 115 " " S H 2 "SER " " OG " 8 0 0 1 37.67 5099 121 + 5100 43 -26.967000 -42.142000 7.010000 115 " " S H 2 "SER " " H " 1 0 0 1 24.58 5100 121 + 5101 41 -24.918000 -43.072000 8.827000 115 " " S H 2 "SER " " HA " 1 0 0 1 26.63 5101 121 + 5102 41 -24.097000 -44.304000 6.789000 115 " " S H 2 "SER " " HB3" 1 0 0 1 28.87 5102 121 + 5103 41 -25.355000 -43.500000 5.845000 115 " " S H 2 "SER " " HB2" 1 0 0 1 28.87 5103 121 + 5104 42 -26.021000 -45.568000 6.622000 115 " " S H 2 "SER " " HG " 1 0 0 1 37.67 5104 121 + 5105 25 -22.770000 -41.985000 8.072000 116 " " T H 2 "THR " " N " 7 0 0 1 21.39 5105 122 + 5106 3 -21.591000 -41.243000 7.681000 116 " " T H 2 "THR " " CA " 6 0 0 1 21.27 5106 122 + 5107 2 -21.231000 -41.594000 6.237000 116 " " T H 2 "THR " " C " 6 0 0 1 22.85 5107 122 + 5108 15 -21.475000 -42.726000 5.777000 116 " " T H 2 "THR " " O " 8 0 0 1 19.75 5108 122 + 5109 3 -20.368000 -41.499000 8.616000 116 " " T H 2 "THR " " CB " 6 0 0 1 20.54 5109 122 + 5110 16 -19.367000 -40.510000 8.366000 116 " " T H 2 "THR " " OG1" 8 0 0 1 21.99 5110 122 + 5111 3 -19.775000 -42.896000 8.418000 116 " " T H 2 "THR " " CG2" 6 0 0 1 19.23 5111 122 + 5112 43 -22.706000 -42.687000 8.796000 116 " " T H 2 "THR " " H " 1 0 0 1 21.39 5112 122 + 5113 41 -21.831000 -40.181000 7.721000 116 " " T H 2 "THR " " HA " 1 0 0 1 21.27 5113 122 + 5114 41 -20.697000 -41.405000 9.651000 116 " " T H 2 "THR " " HB " 1 0 0 1 20.54 5114 122 + 5115 42 -19.728000 -39.638000 8.541000 116 " " T H 2 "THR " " HG1" 1 0 0 1 21.99 5115 122 + 5116 41 -18.927000 -43.030000 9.089000 116 " " T H 2 "THR " "HG21" 1 0 0 1 19.23 5116 122 + 5117 41 -20.533000 -43.648000 8.638000 116 " " T H 2 "THR " "HG22" 1 0 0 1 19.23 5117 122 + 5118 41 -19.442000 -43.007000 7.386000 116 " " T H 2 "THR " "HG23" 1 0 0 1 19.23 5118 122 + 5119 25 -20.681000 -40.621000 5.522000 117 " " K H 2 "LYS " " N " 7 0 0 1 19.97 5119 123 + 5120 3 -20.083000 -40.883000 4.213000 117 " " K H 2 "LYS " " CA " 6 0 0 1 24.67 5120 123 + 5121 2 -18.722000 -40.213000 4.122000 117 " " K H 2 "LYS " " C " 6 0 0 1 21.22 5121 123 + 5122 15 -18.574000 -39.032000 4.444000 117 " " K H 2 "LYS " " O " 8 0 0 1 21.51 5122 123 + 5123 3 -20.986000 -40.409000 3.068000 117 " " K H 2 "LYS " " CB " 6 0 0 1 25.35 5123 123 + 5124 3 -20.344000 -40.641000 1.696000 117 " " K H 2 "LYS " " CG " 6 0 0 1 32.42 5124 123 + 5125 3 -21.294000 -40.370000 0.537000 117 " " K H 2 "LYS " " CD " 6 0 0 1 36.25 5125 123 + 5126 3 -20.629000 -40.737000 -0.790000 117 " " K H 2 "LYS " " CE " 6 0 0 1 41.14 5126 123 + 5127 32 -19.249000 -40.150000 -0.898000 117 " " K H 2 "LYS " " NZ " 7 1 0 1 44.46 5127 123 + 5128 43 -20.669000 -39.676000 5.879000 117 " " K H 2 "LYS " " H " 1 0 0 1 19.97 5128 123 + 5129 41 -19.941000 -41.959000 4.112000 117 " " K H 2 "LYS " " HA " 1 0 0 1 24.67 5129 123 + 5130 41 -21.202000 -39.348000 3.192000 117 " " K H 2 "LYS " " HB3" 1 0 0 1 25.35 5130 123 + 5131 41 -21.939000 -40.936000 3.116000 117 " " K H 2 "LYS " " HB2" 1 0 0 1 25.35 5131 123 + 5132 41 -19.982000 -41.667000 1.635000 117 " " K H 2 "LYS " " HG3" 1 0 0 1 32.42 5132 123 + 5133 41 -19.462000 -40.008000 1.597000 117 " " K H 2 "LYS " " HG2" 1 0 0 1 32.42 5133 123 + 5134 41 -21.564000 -39.314000 0.528000 117 " " K H 2 "LYS " " HD3" 1 0 0 1 36.25 5134 123 + 5135 41 -22.200000 -40.962000 0.665000 117 " " K H 2 "LYS " " HD2" 1 0 0 1 36.25 5135 123 + 5136 41 -21.242000 -40.376000 -1.615000 117 " " K H 2 "LYS " " HE3" 1 0 0 1 41.14 5136 123 + 5137 41 -20.570000 -41.822000 -0.878000 117 " " K H 2 "LYS " " HE2" 1 0 0 1 41.14 5137 123 + 5138 44 -19.224000 -39.258000 -0.424000 117 " " K H 2 "LYS " " HZ1" 1 0 0 1 44.46 5138 123 + 5139 44 -18.582000 -40.776000 -0.471000 117 " " K H 2 "LYS " " HZ2" 1 0 0 1 44.46 5139 123 + 5140 44 -19.013000 -40.020000 -1.871000 117 " " K H 2 "LYS " " HZ3" 1 0 0 1 44.46 5140 123 + 5141 25 -17.718000 -40.975000 3.693000 118 " " G H 2 "GLY " " N " 7 0 0 1 18.11 5141 124 + 5142 3 -16.374000 -40.420000 3.528000 118 " " G H 2 "GLY " " CA " 6 0 0 1 21.08 5142 124 + 5143 2 -16.237000 -39.668000 2.217000 118 " " G H 2 "GLY " " C " 6 0 0 1 21.28 5143 124 + 5144 15 -16.923000 -39.990000 1.247000 118 " " G H 2 "GLY " " O " 8 0 0 1 23.5 5144 124 + 5145 43 -17.879000 -41.948000 3.477000 118 " " G H 2 "GLY " " H " 1 0 0 1 18.11 5145 124 + 5146 41 -15.642000 -41.227000 3.562000 118 " " G H 2 "GLY " " HA3" 1 0 0 1 21.08 5146 124 + 5147 41 -16.155000 -39.747000 4.357000 118 " " G H 2 "GLY " " HA2" 1 0 0 1 21.08 5147 124 + 5148 25 -15.340000 -38.671000 2.175000 119 " " P H 2 "PRO " " N " 7 0 0 1 23.39 5148 125 + 5149 3 -15.172000 -37.839000 0.984000 119 " " P H 2 "PRO " " CA " 6 0 0 1 24.49 5149 125 + 5150 2 -14.336000 -38.486000 -0.126000 119 " " P H 2 "PRO " " C " 6 0 0 1 26.48 5150 125 + 5151 15 -13.527000 -39.395000 0.137000 119 " " P H 2 "PRO " " O " 8 0 0 1 22.58 5151 125 + 5152 3 -14.426000 -36.616000 1.529000 119 " " P H 2 "PRO " " CB " 6 0 0 1 25.28 5152 125 + 5153 3 -13.606000 -37.154000 2.663000 119 " " P H 2 "PRO " " CG " 6 0 0 1 21.8 5153 125 + 5154 3 -14.455000 -38.241000 3.279000 119 " " P H 2 "PRO " " CD " 6 0 0 1 23.32 5154 125 + 5155 41 -16.146000 -37.541000 0.595000 119 " " P H 2 "PRO " " HA " 1 0 0 1 24.49 5155 125 + 5156 41 -15.147000 -35.896000 1.915000 119 " " P H 2 "PRO " " HB3" 1 0 0 1 25.28 5156 125 + 5157 41 -13.763000 -36.225000 0.758000 119 " " P H 2 "PRO " " HB2" 1 0 0 1 25.28 5157 125 + 5158 41 -13.442000 -36.365000 3.396000 119 " " P H 2 "PRO " " HG3" 1 0 0 1 21.8 5158 125 + 5159 41 -12.688000 -37.591000 2.270000 119 " " P H 2 "PRO " " HG2" 1 0 0 1 21.8 5159 125 + 5160 41 -13.816000 -39.074000 3.574000 119 " " P H 2 "PRO " " HD2" 1 0 0 1 23.32 5160 125 + 5161 41 -15.059000 -37.816000 4.081000 119 " " P H 2 "PRO " " HD3" 1 0 0 1 23.32 5161 125 + 5162 25 -14.560000 -38.021000 -1.355000 120 " " S H 2 "SER " " N " 7 0 2 1 22.02 5162 126 + 5163 3 -13.650000 -38.260000 -2.463000 120 " " S H 2 "SER " " CA " 6 0 2 1 21.43 5163 126 + 5164 2 -12.739000 -37.037000 -2.534000 120 " " S H 2 "SER " " C " 6 0 2 1 21.65 5164 126 + 5165 15 -13.194000 -35.918000 -2.325000 120 " " S H 2 "SER " " O " 8 0 2 1 29.48 5165 126 + 5166 3 -14.418000 -38.384000 -3.774000 120 " " S H 2 "SER " " CB " 6 0 2 1 27.06 5166 126 + 5167 16 -15.288000 -39.499000 -3.756000 120 " " S H 2 "SER " " OG " 8 0 2 1 32.66 5167 126 + 5168 43 -15.390000 -37.478000 -1.546000 120 " " S H 2 "SER " " H " 1 0 2 1 22.02 5168 126 + 5169 41 -13.062000 -39.160000 -2.282000 120 " " S H 2 "SER " " HA " 1 0 2 1 21.43 5169 126 + 5170 41 -13.713000 -38.487000 -4.599000 120 " " S H 2 "SER " " HB3" 1 0 2 1 27.06 5170 126 + 5171 41 -14.996000 -37.476000 -3.943000 120 " " S H 2 "SER " " HB2" 1 0 2 1 27.06 5171 126 + 5172 42 -15.920000 -39.401000 -3.040000 120 " " S H 2 "SER " " HG " 1 0 2 1 32.66 5172 126 + 5173 25 -11.462000 -37.251000 -2.824000 121 " " V H 2 "VAL " " N " 7 0 2 1 20.63 5173 127 + 5174 3 -10.500000 -36.133000 -2.920000 121 " " V H 2 "VAL " " CA " 6 0 2 1 20.41 5174 127 + 5175 2 -9.962000 -36.088000 -4.344000 121 " " V H 2 "VAL " " C " 6 0 2 1 25.13 5175 127 + 5176 15 -9.417000 -37.098000 -4.838000 121 " " V H 2 "VAL " " O " 8 0 2 1 22.71 5176 127 + 5177 3 -9.343000 -36.254000 -1.877000 121 " " V H 2 "VAL " " CB " 6 0 2 1 24.05 5177 127 + 5178 3 -8.376000 -35.070000 -1.987000 121 " " V H 2 "VAL " " CG1" 6 0 2 1 24.74 5178 127 + 5179 3 -9.903000 -36.338000 -0.455000 121 " " V H 2 "VAL " " CG2" 6 0 2 1 25.44 5179 127 + 5180 43 -11.131000 -38.192000 -2.984000 121 " " V H 2 "VAL " " H " 1 0 2 1 20.63 5180 127 + 5181 41 -11.036000 -35.204000 -2.728000 121 " " V H 2 "VAL " " HA " 1 0 2 1 20.41 5181 127 + 5182 41 -8.789000 -37.170000 -2.083000 121 " " V H 2 "VAL " " HB " 1 0 2 1 24.05 5182 127 + 5183 41 -7.581000 -35.180000 -1.250000 121 " " V H 2 "VAL " "HG11" 1 0 2 1 24.74 5183 127 + 5184 41 -7.943000 -35.046000 -2.987000 121 " " V H 2 "VAL " "HG12" 1 0 2 1 24.74 5184 127 + 5185 41 -8.916000 -34.141000 -1.803000 121 " " V H 2 "VAL " "HG13" 1 0 2 1 24.74 5185 127 + 5186 41 -9.081000 -36.422000 0.256000 121 " " V H 2 "VAL " "HG21" 1 0 2 1 25.44 5186 127 + 5187 41 -10.480000 -35.439000 -0.238000 121 " " V H 2 "VAL " "HG22" 1 0 2 1 25.44 5187 127 + 5188 41 -10.547000 -37.213000 -0.369000 121 " " V H 2 "VAL " "HG23" 1 0 2 1 25.44 5188 127 + 5189 25 -10.141000 -34.935000 -5.000000 122 " " F H 2 "PHE " " N " 7 0 2 1 21.06 5189 128 + 5190 3 -9.659000 -34.706000 -6.374000 122 " " F H 2 "PHE " " CA " 6 0 2 1 21.73 5190 128 + 5191 2 -8.672000 -33.552000 -6.433000 122 " " F H 2 "PHE " " C " 6 0 2 1 18.73 5191 128 + 5192 15 -8.834000 -32.554000 -5.714000 122 " " F H 2 "PHE " " O " 8 0 2 1 21.8 5192 128 + 5193 3 -10.818000 -34.414000 -7.335000 122 " " F H 2 "PHE " " CB " 6 0 2 1 20.75 5193 128 + 5194 2 -11.890000 -35.468000 -7.318000 122 " " F H 2 "PHE " " CG " 6 0 2 1 22.11 5194 128 + 5195 2 -11.617000 -36.759000 -7.771000 122 " " F H 2 "PHE " " CD1" 6 0 2 1 22.24 5195 128 + 5196 2 -13.150000 -35.184000 -6.803000 122 " " F H 2 "PHE " " CD2" 6 0 2 1 20.22 5196 128 + 5197 2 -12.594000 -37.748000 -7.736000 122 " " F H 2 "PHE " " CE1" 6 0 2 1 23.99 5197 128 + 5198 2 -14.133000 -36.169000 -6.769000 122 " " F H 2 "PHE " " CE2" 6 0 2 1 21.35 5198 128 + 5199 2 -13.851000 -37.448000 -7.240000 122 " " F H 2 "PHE " " CZ " 6 0 2 1 20.81 5199 128 + 5200 43 -10.627000 -34.170000 -4.554000 122 " " F H 2 "PHE " " H " 1 0 2 1 21.06 5200 128 + 5201 41 -9.151000 -35.609000 -6.714000 122 " " F H 2 "PHE " " HA " 1 0 2 1 21.73 5201 128 + 5202 41 -10.430000 -34.309000 -8.348000 122 " " F H 2 "PHE " " HB3" 1 0 2 1 20.75 5202 128 + 5203 41 -11.257000 -33.447000 -7.089000 122 " " F H 2 "PHE " " HB2" 1 0 2 1 20.75 5203 128 + 5204 41 -10.637000 -37.001000 -8.155000 122 " " F H 2 "PHE " " HD1" 1 0 2 1 22.24 5204 128 + 5205 41 -13.370000 -34.196000 -6.427000 122 " " F H 2 "PHE " " HD2" 1 0 2 1 20.22 5205 128 + 5206 41 -12.369000 -38.742000 -8.094000 122 " " F H 2 "PHE " " HE1" 1 0 2 1 23.99 5206 128 + 5207 41 -15.113000 -35.940000 -6.377000 122 " " F H 2 "PHE " " HE2" 1 0 2 1 21.35 5207 128 + 5208 41 -14.618000 -38.208000 -7.217000 122 " " F H 2 "PHE " " HZ " 1 0 2 1 20.81 5208 128 + 5209 25 -7.651000 -33.664000 -7.302000 123 " " P H 2 "PRO " " N " 7 0 0 1 21.85 5209 129 + 5210 3 -6.672000 -32.586000 -7.419000 123 " " P H 2 "PRO " " CA " 6 0 0 1 21.01 5210 129 + 5211 2 -7.227000 -31.367000 -8.175000 123 " " P H 2 "PRO " " C " 6 0 0 1 22.7 5211 129 + 5212 15 -8.045000 -31.516000 -9.100000 123 " " P H 2 "PRO " " O " 8 0 0 1 20.66 5212 129 + 5213 3 -5.530000 -33.247000 -8.210000 123 " " P H 2 "PRO " " CB " 6 0 0 1 23.32 5213 129 + 5214 3 -6.253000 -34.261000 -9.082000 123 " " P H 2 "PRO " " CG " 6 0 0 1 25.64 5214 129 + 5215 3 -7.348000 -34.797000 -8.209000 123 " " P H 2 "PRO " " CD " 6 0 0 1 25.28 5215 129 + 5216 41 -6.321000 -32.288000 -6.431000 123 " " P H 2 "PRO " " HA " 1 0 0 1 21.01 5216 129 + 5217 41 -4.871000 -33.772000 -7.519000 123 " " P H 2 "PRO " " HB3" 1 0 0 1 23.32 5217 129 + 5218 41 -5.054000 -32.501000 -8.846000 123 " " P H 2 "PRO " " HB2" 1 0 0 1 23.32 5218 129 + 5219 41 -5.568000 -35.069000 -9.340000 123 " " P H 2 "PRO " " HG3" 1 0 0 1 25.64 5219 129 + 5220 41 -6.692000 -33.752000 -9.940000 123 " " P H 2 "PRO " " HG2" 1 0 0 1 25.64 5220 129 + 5221 41 -8.224000 -35.012000 -8.821000 123 " " P H 2 "PRO " " HD2" 1 0 0 1 25.28 5221 129 + 5222 41 -6.965000 -35.634000 -7.624000 123 " " P H 2 "PRO " " HD3" 1 0 0 1 25.28 5222 129 + 5223 25 -6.812000 -30.176000 -7.754000 124 " " L H 2 "LEU " " N " 7 0 0 1 21.77 5223 130 + 5224 3 -7.013000 -28.951000 -8.536000 124 " " L H 2 "LEU " " CA " 6 0 0 1 19.59 5224 130 + 5225 2 -5.617000 -28.548000 -9.025000 124 " " L H 2 "LEU " " C " 6 0 0 1 19.94 5225 130 + 5226 15 -4.875000 -27.873000 -8.329000 124 " " L H 2 "LEU " " O " 8 0 0 1 20.37 5226 130 + 5227 3 -7.657000 -27.851000 -7.687000 124 " " L H 2 "LEU " " CB " 6 0 0 1 19.64 5227 130 + 5228 3 -9.074000 -28.135000 -7.171000 124 " " L H 2 "LEU " " CG " 6 0 0 1 20.51 5228 130 + 5229 3 -9.445000 -27.106000 -6.111000 124 " " L H 2 "LEU " " CD1" 6 0 0 1 21.09 5229 130 + 5230 3 -10.103000 -28.111000 -8.330000 124 " " L H 2 "LEU " " CD2" 6 0 0 1 24.84 5230 130 + 5231 43 -6.339000 -30.091000 -6.866000 124 " " L H 2 "LEU " " H " 1 0 0 1 21.77 5231 130 + 5232 41 -7.650000 -29.168000 -9.394000 124 " " L H 2 "LEU " " HA " 1 0 0 1 19.59 5232 130 + 5233 41 -7.660000 -26.918000 -8.250000 124 " " L H 2 "LEU " " HB3" 1 0 0 1 19.64 5233 130 + 5234 41 -7.007000 -27.621000 -6.843000 124 " " L H 2 "LEU " " HB2" 1 0 0 1 19.64 5234 130 + 5235 41 -9.087000 -29.125000 -6.715000 124 " " L H 2 "LEU " " HG " 1 0 0 1 20.51 5235 130 + 5236 41 -10.452000 -27.308000 -5.745000 124 " " L H 2 "LEU " "HD11" 1 0 0 1 21.09 5236 130 + 5237 41 -8.739000 -27.166000 -5.283000 124 " " L H 2 "LEU " "HD12" 1 0 0 1 21.09 5237 130 + 5238 41 -9.411000 -26.107000 -6.546000 124 " " L H 2 "LEU " "HD13" 1 0 0 1 21.09 5238 130 + 5239 41 -11.099000 -28.315000 -7.937000 124 " " L H 2 "LEU " "HD21" 1 0 0 1 24.84 5239 130 + 5240 41 -10.094000 -27.129000 -8.804000 124 " " L H 2 "LEU " "HD22" 1 0 0 1 24.84 5240 130 + 5241 41 -9.840000 -28.871000 -9.065000 124 " " L H 2 "LEU " "HD23" 1 0 0 1 24.84 5241 130 + 5242 25 -5.255000 -29.038000 -10.203000 125 " " A H 2 "ALA " " N " 7 0 0 1 21.86 5242 131 + 5243 3 -3.877000 -28.961000 -10.676000 125 " " A H 2 "ALA " " CA " 6 0 0 1 24.09 5243 131 + 5244 2 -3.475000 -27.533000 -11.045000 125 " " A H 2 "ALA " " C " 6 0 0 1 21.3 5244 131 + 5245 15 -4.263000 -26.787000 -11.635000 125 " " A H 2 "ALA " " O " 8 0 0 1 21.59 5245 131 + 5246 3 -3.660000 -29.914000 -11.877000 125 " " A H 2 "ALA " " CB " 6 0 0 1 23.09 5246 131 + 5247 43 -5.941000 -29.479000 -10.799000 125 " " A H 2 "ALA " " H " 1 0 0 1 21.86 5247 131 + 5248 41 -3.227000 -29.292000 -9.866000 125 " " A H 2 "ALA " " HA " 1 0 0 1 24.09 5248 131 + 5249 41 -2.626000 -29.843000 -12.216000 125 " " A H 2 "ALA " " HB1" 1 0 0 1 23.09 5249 131 + 5250 41 -3.872000 -30.939000 -11.571000 125 " " A H 2 "ALA " " HB2" 1 0 0 1 23.09 5250 131 + 5251 41 -4.329000 -29.632000 -12.690000 125 " " A H 2 "ALA " " HB3" 1 0 0 1 23.09 5251 131 + 5252 25 -2.235000 -27.146000 -10.706000 126 " " P H 2 "PRO " " N " 7 0 0 1 23.26 5252 132 + 5253 3 -1.796000 -25.865000 -11.261000 126 " " P H 2 "PRO " " CA " 6 0 0 1 23.74 5253 132 + 5254 2 -1.640000 -26.067000 -12.774000 126 " " P H 2 "PRO " " C " 6 0 0 1 29.39 5254 132 + 5255 15 -1.084000 -27.080000 -13.204000 126 " " P H 2 "PRO " " O " 8 0 0 1 30.36 5255 132 + 5256 3 -0.433000 -25.621000 -10.585000 126 " " P H 2 "PRO " " CB " 6 0 0 1 24.79 5256 132 + 5257 3 0.061000 -26.989000 -10.185000 126 " " P H 2 "PRO " " CG " 6 0 0 1 25.8 5257 132 + 5258 3 -1.185000 -27.823000 -9.913000 126 " " P H 2 "PRO " " CD " 6 0 0 1 24.07 5258 132 + 5259 41 -2.503000 -25.067000 -11.035000 126 " " P H 2 "PRO " " HA " 1 0 0 1 23.74 5259 132 + 5260 41 -0.576000 -25.013000 -9.692000 126 " " P H 2 "PRO " " HB3" 1 0 0 1 24.79 5260 132 + 5261 41 0.256000 -25.185000 -11.308000 126 " " P H 2 "PRO " " HB2" 1 0 0 1 24.79 5261 132 + 5262 41 0.649000 -26.909000 -9.271000 126 " " P H 2 "PRO " " HG3" 1 0 0 1 25.8 5262 132 + 5263 41 0.618000 -27.429000 -11.012000 126 " " P H 2 "PRO " " HG2" 1 0 0 1 25.8 5263 132 + 5264 41 -1.035000 -28.831000 -10.300000 126 " " P H 2 "PRO " " HD2" 1 0 0 1 24.07 5264 132 + 5265 41 -1.436000 -27.760000 -8.854000 126 " " P H 2 "PRO " " HD3" 1 0 0 1 24.07 5265 132 + 5266 25 -2.175000 -25.140000 -13.563000 127 " " S H 2 "SER " " N " 7 0 0 1 33.83 5266 133 + 5267 3 -2.068000 -25.199000 -15.026000 127 " " S H 2 "SER " " CA " 6 0 0 1 39.3 5267 133 + 5268 2 -1.855000 -23.796000 -15.564000 127 " " S H 2 "SER " " C " 6 0 0 1 40.61 5268 133 + 5269 15 -1.755000 -22.843000 -14.792000 127 " " S H 2 "SER " " O " 8 0 0 1 39.27 5269 133 + 5270 3 -3.341000 -25.793000 -15.649000 127 " " S H 2 "SER " " CB " 6 0 0 1 42.23 5270 133 + 5271 16 -4.383000 -24.827000 -15.721000 127 " " S H 2 "SER " " OG " 8 0 0 1 39.64 5271 133 + 5272 43 -2.676000 -24.361000 -13.160000 127 " " S H 2 "SER " " H " 1 0 0 1 33.83 5272 133 + 5273 41 -1.214000 -25.820000 -15.297000 127 " " S H 2 "SER " " HA " 1 0 0 1 39.3 5273 133 + 5274 41 -3.674000 -26.642000 -15.053000 127 " " S H 2 "SER " " HB3" 1 0 0 1 42.23 5274 133 + 5275 41 -3.117000 -26.161000 -16.650000 127 " " S H 2 "SER " " HB2" 1 0 0 1 42.23 5275 133 + 5276 42 -5.234000 -25.272000 -15.711000 127 " " S H 2 "SER " " HG " 1 0 0 1 39.64 5276 133 + 5277 25 -1.828000 -23.663000 -16.889000 128 " " S H 2 "SER " " N " 7 0 0 1 43.84 5277 134 + 5278 3 -1.733000 -22.343000 -17.513000 128 " " S H 2 "SER " " CA " 6 0 0 1 45.57 5278 134 + 5279 2 -2.991000 -21.476000 -17.314000 128 " " S H 2 "SER " " C " 6 0 0 1 43.5 5279 134 + 5280 15 -2.973000 -20.283000 -17.631000 128 " " S H 2 "SER " " O " 8 0 0 1 44.63 5280 134 + 5281 3 -1.397000 -22.470000 -18.999000 128 " " S H 2 "SER " " CB " 6 0 0 1 48.42 5281 134 + 5282 16 -0.810000 -21.271000 -19.463000 128 " " S H 2 "SER " " OG " 8 0 0 1 54.24 5282 134 + 5283 43 -1.873000 -24.481000 -17.480000 128 " " S H 2 "SER " " H " 1 0 0 1 43.84 5283 134 + 5284 41 -0.903000 -21.821000 -17.038000 128 " " S H 2 "SER " " HA " 1 0 0 1 45.57 5284 134 + 5285 41 -2.309000 -22.669000 -19.562000 128 " " S H 2 "SER " " HB3" 1 0 0 1 48.42 5285 134 + 5286 41 -0.700000 -23.295000 -19.144000 128 " " S H 2 "SER " " HB2" 1 0 0 1 48.42 5286 134 + 5287 42 -1.425000 -20.544000 -19.338000 128 " " S H 2 "SER " " HG " 1 0 0 1 54.24 5287 134 + 5288 25 -4.062000 -22.077000 -16.781000 129 " " K H 2 "LYS " " N " 7 0 0 1 39.99 5288 135 + 5289 3 -5.330000 -21.366000 -16.489000 129 " " K H 2 "LYS " " CA " 6 0 0 1 38.6 5289 135 + 5290 2 -5.431000 -20.922000 -15.015000 129 " " K H 2 "LYS " " C " 6 0 0 1 36.23 5290 135 + 5291 15 -6.409000 -20.239000 -14.595000 129 " " K H 2 "LYS " " O " 8 0 0 1 23.62 5291 135 + 5292 3 -6.543000 -22.227000 -16.877000 129 " " K H 2 "LYS " " CB " 6 0 0 1 41.32 5292 135 + 5293 3 -6.608000 -22.649000 -18.351000 129 " " K H 2 "LYS " " CG " 6 0 0 1 43.96 5293 135 + 5294 3 -6.534000 -21.464000 -19.314000 129 " " K H 2 "LYS " " CD " 6 0 0 1 48.66 5294 135 + 5295 3 -6.373000 -21.943000 -20.752000 129 " " K H 2 "LYS " " CE " 6 0 0 1 52.87 5295 135 + 5296 32 -6.147000 -20.813000 -21.692000 129 " " K H 2 "LYS " " NZ " 7 1 0 1 56.28 5296 135 + 5297 43 -4.030000 -23.062000 -16.558000 129 " " K H 2 "LYS " " H " 1 0 0 1 39.99 5297 135 + 5298 41 -5.353000 -20.468000 -17.106000 129 " " K H 2 "LYS " " HA " 1 0 0 1 38.6 5298 135 + 5299 41 -7.459000 -21.698000 -16.613000 129 " " K H 2 "LYS " " HB3" 1 0 0 1 41.32 5299 135 + 5300 41 -6.570000 -23.116000 -16.246000 129 " " K H 2 "LYS " " HB2" 1 0 0 1 41.32 5300 135 + 5301 41 -7.530000 -23.203000 -18.529000 129 " " K H 2 "LYS " " HG3" 1 0 0 1 43.96 5301 135 + 5302 41 -5.794000 -23.341000 -18.566000 129 " " K H 2 "LYS " " HG2" 1 0 0 1 43.96 5302 135 + 5303 41 -5.689000 -20.831000 -19.046000 129 " " K H 2 "LYS " " HD3" 1 0 0 1 48.66 5303 135 + 5304 41 -7.444000 -20.870000 -19.229000 129 " " K H 2 "LYS " " HD2" 1 0 0 1 48.66 5304 135 + 5305 41 -7.265000 -22.492000 -21.053000 129 " " K H 2 "LYS " " HE3" 1 0 0 1 52.87 5305 135 + 5306 41 -5.535000 -22.637000 -20.811000 129 " " K H 2 "LYS " " HE2" 1 0 0 1 52.87 5306 135 + 5307 44 -5.307000 -20.318000 -21.428000 129 " " K H 2 "LYS " " HZ1" 1 0 0 1 56.28 5307 135 + 5308 44 -6.046000 -21.171000 -22.631000 129 " " K H 2 "LYS " " HZ2" 1 0 0 1 56.28 5308 135 + 5309 44 -6.935000 -20.182000 -21.656000 129 " " K H 2 "LYS " " HZ3" 1 0 0 1 56.28 5309 135 + 5310 25 -4.416000 -21.317000 -14.237000 130 " " S H 2 "SER " " N " 7 0 0 1 36.7 5310 136 + 5311 3 -4.289000 -20.887000 -12.843000 130 " " S H 2 "SER " " CA " 6 0 0 1 35.48 5311 136 + 5312 2 -2.926000 -20.221000 -12.495000 130 " " S H 2 "SER " " C " 6 0 0 1 41.19 5312 136 + 5313 15 -2.283000 -20.591000 -11.500000 130 " " S H 2 "SER " " O " 8 0 0 1 38.35 5313 136 + 5314 3 -4.685000 -22.019000 -11.860000 130 " " S H 2 "SER " " CB " 6 0 0 1 39.35 5314 136 + 5315 16 -3.928000 -23.204000 -12.031000 130 " " S H 2 "SER " " OG " 8 0 0 1 35.78 5315 136 + 5316 43 -3.705000 -21.932000 -14.607000 130 " " S H 2 "SER " " H " 1 0 0 1 36.7 5316 136 + 5317 41 -5.038000 -20.107000 -12.708000 130 " " S H 2 "SER " " HA " 1 0 0 1 35.48 5317 136 + 5318 41 -5.744000 -22.246000 -11.978000 130 " " S H 2 "SER " " HB3" 1 0 0 1 39.35 5318 136 + 5319 41 -4.574000 -21.664000 -10.836000 130 " " S H 2 "SER " " HB2" 1 0 0 1 39.35 5319 136 + 5320 42 -3.219000 -23.228000 -11.384000 130 " " S H 2 "SER " " HG " 1 0 0 1 35.78 5320 136 + 5321 25 -2.538000 -19.214000 -13.299000 131 " " T H 2 "THR " " N " 7 0 2 1 43.18 5321 137 + 5322 3 -1.337000 -18.356000 -13.063000 131 " " T H 2 "THR " " CA " 6 0 2 1 46.37 5322 137 + 5323 2 -1.581000 -16.818000 -13.062000 131 " " T H 2 "THR " " C " 6 0 2 1 46.12 5323 137 + 5324 15 -2.293000 -16.282000 -13.921000 131 " " T H 2 "THR " " O " 8 0 2 1 48.55 5324 137 + 5325 3 -0.187000 -18.686000 -14.039000 131 " " T H 2 "THR " " CB " 6 0 2 1 48.36 5325 137 + 5326 16 0.935000 -17.830000 -13.769000 131 " " T H 2 "THR " " OG1" 8 0 2 1 49.67 5326 137 + 5327 3 -0.631000 -18.513000 -15.488000 131 " " T H 2 "THR " " CG2" 6 0 2 1 45.03 5327 137 + 5328 43 -3.072000 -18.995000 -14.128000 131 " " T H 2 "THR " " H " 1 0 2 1 43.18 5328 137 + 5329 41 -0.973000 -18.608000 -12.067000 131 " " T H 2 "THR " " HA " 1 0 2 1 46.37 5329 137 + 5330 41 0.117000 -19.722000 -13.886000 131 " " T H 2 "THR " " HB " 1 0 2 1 48.36 5330 137 + 5331 42 1.037000 -17.725000 -12.820000 131 " " T H 2 "THR " " HG1" 1 0 2 1 49.67 5331 137 + 5332 41 0.198000 -18.752000 -16.154000 131 " " T H 2 "THR " "HG21" 1 0 2 1 45.03 5332 137 + 5333 41 -1.467000 -19.182000 -15.695000 131 " " T H 2 "THR " "HG22" 1 0 2 1 45.03 5333 137 + 5334 41 -0.943000 -17.482000 -15.652000 131 " " T H 2 "THR " "HG23" 1 0 2 1 45.03 5334 137 + 5335 25 -0.949000 -16.121000 -12.113000 132 " " S H 2 "SER " " N " 7 0 2 1 39.67 5335 138 + 5336 3 -1.260000 -14.720000 -11.806000 132 " " S H 2 "SER " " CA " 6 0 2 1 36.01 5336 138 + 5337 2 -0.052000 -13.961000 -11.231000 132 " " S H 2 "SER " " C " 6 0 2 1 34.29 5337 138 + 5338 15 0.311000 -14.141000 -10.073000 132 " " S H 2 "SER " " O " 8 0 2 1 28.59 5338 138 + 5339 3 -2.444000 -14.649000 -10.827000 132 " " S H 2 "SER " " CB " 6 0 2 1 37.37 5339 138 + 5340 16 -2.699000 -13.325000 -10.384000 132 " " S H 2 "SER " " OG " 8 0 2 1 39.81 5340 138 + 5341 43 -0.219000 -16.557000 -11.568000 132 " " S H 2 "SER " " H " 1 0 2 1 39.67 5341 138 + 5342 41 -1.558000 -14.229000 -12.733000 132 " " S H 2 "SER " " HA " 1 0 2 1 36.01 5342 138 + 5343 41 -2.241000 -15.286000 -9.966000 132 " " S H 2 "SER " " HB3" 1 0 2 1 37.37 5343 138 + 5344 41 -3.337000 -15.048000 -11.308000 132 " " S H 2 "SER " " HB2" 1 0 2 1 37.37 5344 138 + 5345 42 -3.254000 -13.350000 -9.601000 132 " " S H 2 "SER " " HG " 1 0 2 1 39.81 5345 138 + 5346 25 0.558000 -13.103000 -12.044000 133 " " G H 2 "GLY " " N " 7 0 0 1 33.9 5346 139 + 5347 3 1.740000 -12.340000 -11.632000 133 " " G H 2 "GLY " " CA " 6 0 0 1 30.9 5347 139 + 5348 2 2.912000 -13.213000 -11.196000 133 " " G H 2 "GLY " " C " 6 0 0 1 23.7 5348 139 + 5349 15 3.586000 -12.886000 -10.228000 133 " " G H 2 "GLY " " O " 8 0 0 1 25.31 5349 139 + 5350 43 0.209000 -12.959000 -12.981000 133 " " G H 2 "GLY " " H " 1 0 0 1 33.9 5350 139 + 5351 41 1.470000 -11.665000 -10.820000 133 " " G H 2 "GLY " " HA3" 1 0 0 1 30.9 5351 139 + 5352 41 2.056000 -11.693000 -12.450000 133 " " G H 2 "GLY " " HA2" 1 0 0 1 30.9 5352 139 + 5353 25 3.133000 -14.325000 -11.898000 134 " " G H 2 "GLY " " N " 7 0 0 1 23.43 5353 140 + 5354 3 4.195000 -15.295000 -11.557000 134 " " G H 2 "GLY " " CA " 6 0 0 1 19.99 5354 140 + 5355 2 3.846000 -16.275000 -10.430000 134 " " G H 2 "GLY " " C " 6 0 0 1 20.69 5355 140 + 5356 15 4.713000 -16.999000 -9.928000 134 " " G H 2 "GLY " " O " 8 0 0 1 22.19 5356 140 + 5357 43 2.561000 -14.536000 -12.704000 134 " " G H 2 "GLY " " H " 1 0 0 1 23.43 5357 140 + 5358 41 5.106000 -14.756000 -11.296000 134 " " G H 2 "GLY " " HA3" 1 0 0 1 19.99 5358 140 + 5359 41 4.471000 -15.856000 -12.450000 134 " " G H 2 "GLY " " HA2" 1 0 0 1 19.99 5359 140 + 5360 25 2.592000 -16.295000 -10.009000 135 " " T H 2 "THR " " N " 7 0 2 1 21.96 5360 141 + 5361 3 2.139000 -17.255000 -8.986000 135 " " T H 2 "THR " " CA " 6 0 2 1 21.68 5361 141 + 5362 2 1.202000 -18.272000 -9.629000 135 " " T H 2 "THR " " C " 6 0 2 1 26.9 5362 141 + 5363 15 0.602000 -17.993000 -10.668000 135 " " T H 2 "THR " " O " 8 0 2 1 25.16 5363 141 + 5364 3 1.432000 -16.564000 -7.803000 135 " " T H 2 "THR " " CB " 6 0 2 1 27.93 5364 141 + 5365 16 0.185000 -16.017000 -8.239000 135 " " T H 2 "THR " " OG1" 8 0 2 1 27.71 5365 141 + 5366 3 2.297000 -15.448000 -7.237000 135 " " T H 2 "THR " " CG2" 6 0 2 1 25.84 5366 141 + 5367 43 1.921000 -15.643000 -10.390000 135 " " T H 2 "THR " " H " 1 0 2 1 21.96 5367 141 + 5368 41 3.011000 -17.785000 -8.603000 135 " " T H 2 "THR " " HA " 1 0 2 1 21.68 5368 141 + 5369 41 1.244000 -17.300000 -7.021000 135 " " T H 2 "THR " " HB " 1 0 2 1 27.93 5369 141 + 5370 42 0.343000 -15.374000 -8.934000 135 " " T H 2 "THR " " HG1" 1 0 2 1 27.71 5370 141 + 5371 41 1.779000 -14.974000 -6.403000 135 " " T H 2 "THR " "HG21" 1 0 2 1 25.84 5371 141 + 5372 41 3.243000 -15.862000 -6.888000 135 " " T H 2 "THR " "HG22" 1 0 2 1 25.84 5372 141 + 5373 41 2.489000 -14.707000 -8.013000 135 " " T H 2 "THR " "HG23" 1 0 2 1 25.84 5373 141 + 5374 25 1.100000 -19.452000 -9.023000 136 " " A H 2 "ALA " " N " 7 0 2 1 20.57 5374 142 + 5375 3 0.217000 -20.491000 -9.495000 136 " " A H 2 "ALA " " CA " 6 0 2 1 20.33 5375 142 + 5376 2 -0.660000 -20.859000 -8.330000 136 " " A H 2 "ALA " " C " 6 0 2 1 23.52 5376 142 + 5377 15 -0.209000 -20.850000 -7.177000 136 " " A H 2 "ALA " " O " 8 0 2 1 24.34 5377 142 + 5378 3 1.028000 -21.719000 -9.977000 136 " " A H 2 "ALA " " CB " 6 0 2 1 20.29 5378 142 + 5379 43 1.653000 -19.647000 -8.201000 136 " " A H 2 "ALA " " H " 1 0 2 1 20.57 5379 142 + 5380 41 -0.396000 -20.111000 -10.312000 136 " " A H 2 "ALA " " HA " 1 0 2 1 20.33 5380 142 + 5381 41 0.344000 -22.491000 -10.329000 136 " " A H 2 "ALA " " HB1" 1 0 2 1 20.29 5381 142 + 5382 41 1.689000 -21.422000 -10.791000 136 " " A H 2 "ALA " " HB2" 1 0 2 1 20.29 5382 142 + 5383 41 1.622000 -22.110000 -9.151000 136 " " A H 2 "ALA " " HB3" 1 0 2 1 20.29 5383 142 + 5384 25 -1.913000 -21.177000 -8.621000 137 " " A H 2 "ALA " " N " 7 0 2 1 21.46 5384 143 + 5385 3 -2.807000 -21.684000 -7.595000 137 " " A H 2 "ALA " " CA " 6 0 2 1 17.95 5385 143 + 5386 2 -3.041000 -23.166000 -7.831000 137 " " A H 2 "ALA " " C " 6 0 2 1 19.75 5386 143 + 5387 15 -3.105000 -23.633000 -8.983000 137 " " A H 2 "ALA " " O " 8 0 2 1 19.22 5387 143 + 5388 3 -4.110000 -20.899000 -7.570000 137 " " A H 2 "ALA " " CB " 6 0 2 1 16.16 5388 143 + 5389 43 -2.256000 -21.068000 -9.565000 137 " " A H 2 "ALA " " H " 1 0 2 1 21.46 5389 143 + 5390 41 -2.319000 -21.565000 -6.628000 137 " " A H 2 "ALA " " HA " 1 0 2 1 17.95 5390 143 + 5391 41 -4.761000 -21.299000 -6.793000 137 " " A H 2 "ALA " " HB1" 1 0 2 1 16.16 5391 143 + 5392 41 -3.899000 -19.850000 -7.362000 137 " " A H 2 "ALA " " HB2" 1 0 2 1 16.16 5392 143 + 5393 41 -4.605000 -20.984000 -8.537000 137 " " A H 2 "ALA " " HB3" 1 0 2 1 16.16 5393 143 + 5394 25 -3.120000 -23.915000 -6.733000 138 " " L H 2 "LEU " " N " 7 0 2 1 19.89 5394 144 + 5395 3 -3.421000 -25.342000 -6.802000 138 " " L H 2 "LEU " " CA " 6 0 2 1 19.26 5395 144 + 5396 2 -4.246000 -25.717000 -5.591000 138 " " L H 2 "LEU " " C " 6 0 2 1 21.19 5396 144 + 5397 15 -4.378000 -24.922000 -4.659000 138 " " L H 2 "LEU " " O " 8 0 2 1 19.54 5397 144 + 5398 3 -2.138000 -26.179000 -6.887000 138 " " L H 2 "LEU " " CB " 6 0 2 1 19.72 5398 144 + 5399 3 -1.114000 -26.018000 -5.753000 138 " " L H 2 "LEU " " CG " 6 0 2 1 21.49 5399 144 + 5400 3 -1.294000 -27.136000 -4.733000 138 " " L H 2 "LEU " " CD1" 6 0 2 1 24.2 5400 144 + 5401 3 0.310000 -26.013000 -6.295000 138 " " L H 2 "LEU " " CD2" 6 0 2 1 26.05 5401 144 + 5402 43 -2.970000 -23.498000 -5.825000 138 " " L H 2 "LEU " " H " 1 0 2 1 19.89 5402 144 + 5403 41 -4.015000 -25.528000 -7.697000 138 " " L H 2 "LEU " " HA " 1 0 2 1 19.26 5403 144 + 5404 41 -1.648000 -25.987000 -7.842000 138 " " L H 2 "LEU " " HB3" 1 0 2 1 19.72 5404 144 + 5405 41 -2.403000 -27.232000 -6.983000 138 " " L H 2 "LEU " " HB2" 1 0 2 1 19.72 5405 144 + 5406 41 -1.297000 -25.065000 -5.256000 138 " " L H 2 "LEU " " HG " 1 0 2 1 21.49 5406 144 + 5407 41 -0.566000 -27.017000 -3.931000 138 " " L H 2 "LEU " "HD11" 1 0 2 1 24.2 5407 144 + 5408 41 -2.301000 -27.091000 -4.318000 138 " " L H 2 "LEU " "HD12" 1 0 2 1 24.2 5408 144 + 5409 41 -1.144000 -28.100000 -5.219000 138 " " L H 2 "LEU " "HD13" 1 0 2 1 24.2 5409 144 + 5410 41 1.013000 -25.898000 -5.470000 138 " " L H 2 "LEU " "HD21" 1 0 2 1 26.05 5410 144 + 5411 41 0.506000 -26.953000 -6.810000 138 " " L H 2 "LEU " "HD22" 1 0 2 1 26.05 5411 144 + 5412 41 0.431000 -25.185000 -6.993000 138 " " L H 2 "LEU " "HD23" 1 0 2 1 26.05 5412 144 + 5413 25 -4.821000 -26.912000 -5.597000 139 " " G H 2 "GLY " " N " 7 0 2 1 18.46 5413 145 + 5414 3 -5.578000 -27.315000 -4.424000 139 " " G H 2 "GLY " " CA " 6 0 2 1 20.63 5414 145 + 5415 2 -6.150000 -28.708000 -4.474000 139 " " G H 2 "GLY " " C " 6 0 2 1 16.36 5415 145 + 5416 15 -5.729000 -29.546000 -5.275000 139 " " G H 2 "GLY " " O " 8 0 2 1 17.07 5416 145 + 5417 43 -4.726000 -27.514000 -6.402000 139 " " G H 2 "GLY " " H " 1 0 2 1 18.46 5417 145 + 5418 41 -6.383000 -26.601000 -4.252000 139 " " G H 2 "GLY " " HA3" 1 0 2 1 20.63 5418 145 + 5419 41 -4.951000 -27.215000 -3.538000 139 " " G H 2 "GLY " " HA2" 1 0 2 1 20.63 5419 145 + 5420 25 -7.127000 -28.947000 -3.597000 140 " " C H 2 "CYS " " N " 7 0 2 1 18.48 5420 146 + 5421 3 -7.830000 -30.219000 -3.547000 140 " " C H 2 "CYS " " CA " 6 0 2 1 19.02 5421 146 + 5422 2 -9.298000 -29.932000 -3.378000 140 " " C H 2 "CYS " " C " 6 0 2 1 21.69 5422 146 + 5423 15 -9.666000 -29.071000 -2.582000 140 " " C H 2 "CYS " " O " 8 0 2 1 20.66 5423 146 + 5424 3 -7.324000 -31.103000 -2.392000 140 " " C H 2 "CYS " " CB " 6 0 2 1 22.82 5424 146 + 5425 49 -5.724000 -31.868000 -2.770000 140 " " C H 2 "CYS " " SG " 16 0 2 1 25.88 5425 146 + 5426 43 -7.401000 -28.232000 -2.938000 140 " " C H 2 "CYS " " H " 1 0 2 1 18.48 5426 146 + 5427 41 -7.678000 -30.745000 -4.489000 140 " " C H 2 "CYS " " HA " 1 0 2 1 19.02 5427 146 + 5428 41 -8.058000 -31.882000 -2.183000 140 " " C H 2 "CYS " " HB3" 1 0 2 1 22.82 5428 146 + 5429 41 -7.233000 -30.501000 -1.488000 140 " " C H 2 "CYS " " HB2" 1 0 2 1 22.82 5429 146 + 5430 25 -10.108000 -30.656000 -4.142000 141 " " L H 2 "LEU " " N " 7 0 2 1 21.31 5430 147 + 5431 3 -11.549000 -30.657000 -3.993000 141 " " L H 2 "LEU " " CA " 6 0 2 1 23.04 5431 147 + 5432 2 -11.949000 -31.859000 -3.133000 141 " " L H 2 "LEU " " C " 6 0 2 1 21.37 5432 147 + 5433 15 -11.621000 -33.016000 -3.447000 141 " " L H 2 "LEU " " O " 8 0 2 1 24.72 5433 147 + 5434 3 -12.203000 -30.729000 -5.376000 141 " " L H 2 "LEU " " CB " 6 0 2 1 22.9 5434 147 + 5435 3 -13.727000 -30.834000 -5.403000 141 " " L H 2 "LEU " " CG " 6 0 2 1 22.86 5435 147 + 5436 3 -14.384000 -29.581000 -4.822000 141 " " L H 2 "LEU " " CD1" 6 0 2 1 22.65 5436 147 + 5437 3 -14.207000 -31.092000 -6.830000 141 " " L H 2 "LEU " " CD2" 6 0 2 1 23.41 5437 147 + 5438 43 -9.725000 -31.243000 -4.870000 141 " " L H 2 "LEU " " H " 1 0 2 1 21.31 5438 147 + 5439 41 -11.860000 -29.739000 -3.495000 141 " " L H 2 "LEU " " HA " 1 0 2 1 23.04 5439 147 + 5440 41 -11.776000 -31.563000 -5.932000 141 " " L H 2 "LEU " " HB3" 1 0 2 1 22.9 5440 147 + 5441 41 -11.892000 -29.867000 -5.966000 141 " " L H 2 "LEU " " HB2" 1 0 2 1 22.9 5441 147 + 5442 41 -14.019000 -31.686000 -4.788000 141 " " L H 2 "LEU " " HG " 1 0 2 1 22.86 5442 147 + 5443 41 -15.468000 -29.689000 -4.857000 141 " " L H 2 "LEU " "HD11" 1 0 2 1 22.65 5443 147 + 5444 41 -14.065000 -29.449000 -3.788000 141 " " L H 2 "LEU " "HD12" 1 0 2 1 22.65 5444 147 + 5445 41 -14.088000 -28.710000 -5.407000 141 " " L H 2 "LEU " "HD13" 1 0 2 1 22.65 5445 147 + 5446 41 -15.294000 -31.166000 -6.840000 141 " " L H 2 "LEU " "HD21" 1 0 2 1 23.41 5446 147 + 5447 41 -13.893000 -30.270000 -7.474000 141 " " L H 2 "LEU " "HD22" 1 0 2 1 23.41 5447 147 + 5448 41 -13.777000 -32.024000 -7.196000 141 " " L H 2 "LEU " "HD23" 1 0 2 1 23.41 5448 147 + 5449 25 -12.646000 -31.582000 -2.038000 142 " " V H 2 "VAL " " N " 7 0 2 1 20.67 5449 148 + 5450 3 -13.053000 -32.629000 -1.099000 142 " " V H 2 "VAL " " CA " 6 0 2 1 23.46 5450 148 + 5451 2 -14.575000 -32.747000 -1.170000 142 " " V H 2 "VAL " " C " 6 0 2 1 22.02 5451 148 + 5452 15 -15.293000 -31.909000 -0.629000 142 " " V H 2 "VAL " " O " 8 0 2 1 24.46 5452 148 + 5453 3 -12.574000 -32.324000 0.331000 142 " " V H 2 "VAL " " CB " 6 0 2 1 25.95 5453 148 + 5454 3 -12.950000 -33.459000 1.275000 142 " " V H 2 "VAL " " CG1" 6 0 2 1 24.11 5454 148 + 5455 3 -11.049000 -32.078000 0.347000 142 " " V H 2 "VAL " " CG2" 6 0 2 1 22.39 5455 148 + 5456 43 -12.909000 -30.628000 -1.835000 142 " " V H 2 "VAL " " H " 1 0 2 1 20.67 5456 148 + 5457 41 -12.615000 -33.574000 -1.419000 142 " " V H 2 "VAL " " HA " 1 0 2 1 23.46 5457 148 + 5458 41 -13.071000 -31.416000 0.672000 142 " " V H 2 "VAL " " HB " 1 0 2 1 25.95 5458 148 + 5459 41 -12.603000 -33.225000 2.281000 142 " " V H 2 "VAL " "HG11" 1 0 2 1 24.11 5459 148 + 5460 41 -14.033000 -33.581000 1.284000 142 " " V H 2 "VAL " "HG12" 1 0 2 1 24.11 5460 148 + 5461 41 -12.483000 -34.384000 0.936000 142 " " V H 2 "VAL " "HG13" 1 0 2 1 24.11 5461 148 + 5462 41 -10.726000 -31.864000 1.366000 142 " " V H 2 "VAL " "HG21" 1 0 2 1 22.39 5462 148 + 5463 41 -10.533000 -32.966000 -0.018000 142 " " V H 2 "VAL " "HG22" 1 0 2 1 22.39 5463 148 + 5464 41 -10.810000 -31.230000 -0.295000 142 " " V H 2 "VAL " "HG23" 1 0 2 1 22.39 5464 148 + 5465 25 -15.044000 -33.776000 -1.868000 143 " " K H 2 "LYS " " N " 7 0 2 1 21.67 5465 149 + 5466 3 -16.440000 -33.847000 -2.283000 143 " " K H 2 "LYS " " CA " 6 0 2 1 23.32 5466 149 + 5467 2 -17.240000 -34.994000 -1.651000 143 " " K H 2 "LYS " " C " 6 0 2 1 25.31 5467 149 + 5468 15 -16.742000 -36.117000 -1.524000 143 " " K H 2 "LYS " " O " 8 0 2 1 23.72 5468 149 + 5469 3 -16.506000 -33.954000 -3.820000 143 " " K H 2 "LYS " " CB " 6 0 2 1 26.67 5469 149 + 5470 3 -17.935000 -33.784000 -4.387000 143 " " K H 2 "LYS " " CG " 6 0 2 1 29.51 5470 149 + 5471 3 -17.982000 -33.717000 -5.911000 143 " " K H 2 "LYS " " CD " 6 0 2 1 31.12 5471 149 + 5472 3 -19.436000 -33.521000 -6.415000 143 " " K H 2 "LYS " " CE " 6 0 2 1 34.89 5472 149 + 5473 32 -20.278000 -34.746000 -6.306000 143 " " K H 2 "LYS " " NZ " 7 1 2 1 41.99 5473 149 + 5474 43 -14.429000 -34.535000 -2.124000 143 " " K H 2 "LYS " " H " 1 0 2 1 21.67 5474 149 + 5475 41 -16.919000 -32.911000 -1.995000 143 " " K H 2 "LYS " " HA " 1 0 2 1 23.32 5475 149 + 5476 41 -16.105000 -34.918000 -4.133000 143 " " K H 2 "LYS " " HB3" 1 0 2 1 26.67 5476 149 + 5477 41 -15.849000 -33.205000 -4.263000 143 " " K H 2 "LYS " " HB2" 1 0 2 1 26.67 5477 149 + 5478 41 -18.384000 -32.882000 -3.971000 143 " " K H 2 "LYS " " HG3" 1 0 2 1 29.51 5478 149 + 5479 41 -18.561000 -34.606000 -4.042000 143 " " K H 2 "LYS " " HG2" 1 0 2 1 29.51 5479 149 + 5480 41 -17.575000 -34.638000 -6.327000 143 " " K H 2 "LYS " " HD3" 1 0 2 1 31.12 5480 149 + 5481 41 -17.363000 -32.889000 -6.257000 143 " " K H 2 "LYS " " HD2" 1 0 2 1 31.12 5481 149 + 5482 41 -19.417000 -33.186000 -7.452000 143 " " K H 2 "LYS " " HE3" 1 0 2 1 34.89 5482 149 + 5483 41 -19.905000 -32.709000 -5.859000 143 " " K H 2 "LYS " " HE2" 1 0 2 1 34.89 5483 149 + 5484 44 -20.516000 -34.906000 -5.338000 143 " " K H 2 "LYS " " HZ1" 1 0 2 1 41.99 5484 149 + 5485 44 -21.124000 -34.623000 -6.844000 143 " " K H 2 "LYS " " HZ2" 1 0 2 1 41.99 5485 149 + 5486 44 -19.765000 -35.540000 -6.662000 143 " " K H 2 "LYS " " HZ3" 1 0 2 1 41.99 5486 149 + 5487 25 -18.487000 -34.696000 -1.288000 144 " " D H 2 "ASP " " N " 7 0 2 1 22.95 5487 150 + 5488 3 -19.496000 -35.701000 -0.931000 144 " " D H 2 "ASP " " CA " 6 0 2 1 23.66 5488 150 + 5489 2 -19.210000 -36.407000 0.380000 144 " " D H 2 "ASP " " C " 6 0 2 1 25.43 5489 150 + 5490 15 -18.991000 -37.611000 0.393000 144 " " D H 2 "ASP " " O " 8 0 2 1 25.67 5490 150 + 5491 3 -19.646000 -36.739000 -2.060000 144 " " D H 2 "ASP " " CB " 6 0 2 1 22.97 5491 150 + 5492 2 -20.320000 -36.171000 -3.276000 144 " " D H 2 "ASP " " CG " 6 0 2 1 25.67 5492 150 + 5493 15 -20.931000 -35.088000 -3.165000 144 " " D H 2 "ASP " " OD1" 8 0 2 1 25.68 5493 150 + 5494 18 -20.245000 -36.813000 -4.343000 144 " " D H 2 "ASP " " OD2" 8 -1 2 1 31.05 5494 150 + 5495 43 -18.784000 -33.732000 -1.247000 144 " " D H 2 "ASP " " H " 1 0 2 1 22.95 5495 150 + 5496 41 -20.451000 -35.187000 -0.827000 144 " " D H 2 "ASP " " HA " 1 0 2 1 23.66 5496 150 + 5497 41 -20.217000 -37.592000 -1.694000 144 " " D H 2 "ASP " " HB3" 1 0 2 1 22.97 5497 150 + 5498 41 -18.662000 -37.120000 -2.335000 144 " " D H 2 "ASP " " HB2" 1 0 2 1 22.97 5498 150 + 5499 25 -19.197000 -35.650000 1.474000 145 " " Y H 2 "TYR " " N " 7 0 2 1 21.08 5499 151 + 5500 3 -19.022000 -36.248000 2.807000 145 " " Y H 2 "TYR " " CA " 6 0 2 1 21.43 5500 151 + 5501 2 -20.108000 -35.848000 3.800000 145 " " Y H 2 "TYR " " C " 6 0 2 1 19.9 5501 151 + 5502 15 -20.815000 -34.850000 3.598000 145 " " Y H 2 "TYR " " O " 8 0 2 1 19.7 5502 151 + 5503 3 -17.640000 -35.929000 3.370000 145 " " Y H 2 "TYR " " CB " 6 0 2 1 21.5 5503 151 + 5504 2 -17.377000 -34.458000 3.619000 145 " " Y H 2 "TYR " " CG " 6 0 2 1 18.26 5504 151 + 5505 2 -16.852000 -33.636000 2.609000 145 " " Y H 2 "TYR " " CD1" 6 0 2 1 20.84 5505 151 + 5506 2 -17.639000 -33.884000 4.868000 145 " " Y H 2 "TYR " " CD2" 6 0 2 1 15.67 5506 151 + 5507 2 -16.602000 -32.271000 2.837000 145 " " Y H 2 "TYR " " CE1" 6 0 2 1 20.06 5507 151 + 5508 2 -17.382000 -32.520000 5.116000 145 " " Y H 2 "TYR " " CE2" 6 0 2 1 18.95 5508 151 + 5509 2 -16.870000 -31.718000 4.089000 145 " " Y H 2 "TYR " " CZ " 6 0 2 1 23.24 5509 151 + 5510 16 -16.594000 -30.376000 4.324000 145 " " Y H 2 "TYR " " OH " 8 0 2 1 20.72 5510 151 + 5511 43 -19.308000 -34.649000 1.397000 145 " " Y H 2 "TYR " " H " 1 0 2 1 21.08 5511 151 + 5512 41 -19.079000 -37.330000 2.685000 145 " " Y H 2 "TYR " " HA " 1 0 2 1 21.43 5512 151 + 5513 41 -16.877000 -36.323000 2.699000 145 " " Y H 2 "TYR " " HB3" 1 0 2 1 21.5 5513 151 + 5514 41 -17.491000 -36.484000 4.296000 145 " " Y H 2 "TYR " " HB2" 1 0 2 1 21.5 5514 151 + 5515 41 -16.633000 -34.050000 1.636000 145 " " Y H 2 "TYR " " HD1" 1 0 2 1 20.84 5515 151 + 5516 41 -18.046000 -34.488000 5.665000 145 " " Y H 2 "TYR " " HD2" 1 0 2 1 15.67 5516 151 + 5517 41 -16.204000 -31.655000 2.044000 145 " " Y H 2 "TYR " " HE1" 1 0 2 1 20.06 5517 151 + 5518 41 -17.580000 -32.102000 6.092000 145 " " Y H 2 "TYR " " HE2" 1 0 2 1 18.95 5518 151 + 5519 42 -16.441000 -29.929000 3.488000 145 " " Y H 2 "TYR " " HH " 1 0 2 1 20.72 5519 151 + 5520 25 -20.250000 -36.647000 4.862000 146 " " F H 2 "PHE " " N " 7 0 2 1 18.02 5520 152 + 5521 3 -21.211000 -36.357000 5.922000 146 " " F H 2 "PHE " " CA " 6 0 2 1 18.66 5521 152 + 5522 2 -20.790000 -37.064000 7.211000 146 " " F H 2 "PHE " " C " 6 0 2 1 16.95 5522 152 + 5523 15 -20.379000 -38.222000 7.148000 146 " " F H 2 "PHE " " O " 8 0 2 1 20.47 5523 152 + 5524 3 -22.631000 -36.789000 5.526000 146 " " F H 2 "PHE " " CB " 6 0 2 1 20.51 5524 152 + 5525 2 -23.653000 -36.407000 6.553000 146 " " F H 2 "PHE " " CG " 6 0 2 1 21.32 5525 152 + 5526 2 -24.168000 -35.107000 6.579000 146 " " F H 2 "PHE " " CD1" 6 0 2 1 20.95 5526 152 + 5527 2 -24.037000 -37.314000 7.547000 146 " " F H 2 "PHE " " CD2" 6 0 2 1 22.55 5527 152 + 5528 2 -25.080000 -34.714000 7.558000 146 " " F H 2 "PHE " " CE1" 6 0 2 1 21.33 5528 152 + 5529 2 -24.966000 -36.933000 8.532000 146 " " F H 2 "PHE " " CE2" 6 0 2 1 22.03 5529 152 + 5530 2 -25.476000 -35.630000 8.532000 146 " " F H 2 "PHE " " CZ " 6 0 2 1 23.29 5530 152 + 5531 43 -19.683000 -37.479000 4.948000 146 " " F H 2 "PHE " " H " 1 0 2 1 18.02 5531 152 + 5532 41 -21.214000 -35.282000 6.102000 146 " " F H 2 "PHE " " HA " 1 0 2 1 18.66 5532 152 + 5533 41 -22.653000 -37.869000 5.377000 146 " " F H 2 "PHE " " HB3" 1 0 2 1 20.51 5533 152 + 5534 41 -22.893000 -36.338000 4.569000 146 " " F H 2 "PHE " " HB2" 1 0 2 1 20.51 5534 152 + 5535 41 -23.860000 -34.389000 5.833000 146 " " F H 2 "PHE " " HD1" 1 0 2 1 20.95 5535 152 + 5536 41 -23.620000 -38.310000 7.559000 146 " " F H 2 "PHE " " HD2" 1 0 2 1 22.55 5536 152 + 5537 41 -25.473000 -33.708000 7.557000 146 " " F H 2 "PHE " " HE1" 1 0 2 1 21.33 5537 152 + 5538 41 -25.281000 -37.644000 9.281000 146 " " F H 2 "PHE " " HE2" 1 0 2 1 22.03 5538 152 + 5539 41 -26.182000 -35.336000 9.295000 146 " " F H 2 "PHE " " HZ " 1 0 2 1 23.29 5539 152 + 5540 25 -20.883000 -36.382000 8.379000 147 " " P H 2 "PRO " " N " 7 0 0 1 20.59 5540 153 + 5541 3 -21.254000 -34.984000 8.612000 147 " " P H 2 "PRO " " CA " 6 0 0 1 18.82 5541 153 + 5542 2 -20.007000 -34.116000 8.506000 147 " " P H 2 "PRO " " C " 6 0 0 1 20.57 5542 153 + 5543 15 -18.968000 -34.598000 8.049000 147 " " P H 2 "PRO " " O " 8 0 0 1 18.54 5543 153 + 5544 3 -21.765000 -35.025000 10.068000 147 " " P H 2 "PRO " " CB " 6 0 0 1 21.2 5544 153 + 5545 3 -20.796000 -35.961000 10.725000 147 " " P H 2 "PRO " " CG " 6 0 0 1 19.02 5545 153 + 5546 3 -20.625000 -37.076000 9.661000 147 " " P H 2 "PRO " " CD " 6 0 0 1 22.61 5546 153 + 5547 41 -22.032000 -34.655000 7.923000 147 " " P H 2 "PRO " " HA " 1 0 0 1 18.82 5547 153 + 5548 41 -22.761000 -35.468000 10.087000 147 " " P H 2 "PRO " " HB3" 1 0 0 1 21.2 5548 153 + 5549 41 -21.664000 -34.035000 10.512000 147 " " P H 2 "PRO " " HB2" 1 0 0 1 21.2 5549 153 + 5550 41 -21.255000 -36.384000 11.618000 147 " " P H 2 "PRO " " HG3" 1 0 0 1 19.02 5550 153 + 5551 41 -19.843000 -35.451000 10.867000 147 " " P H 2 "PRO " " HG2" 1 0 0 1 19.02 5551 153 + 5552 41 -19.596000 -37.434000 9.676000 147 " " P H 2 "PRO " " HD2" 1 0 0 1 22.61 5552 153 + 5553 41 -21.385000 -37.841000 9.816000 147 " " P H 2 "PRO " " HD3" 1 0 0 1 22.61 5553 153 + 5554 25 -20.073000 -32.862000 8.941000 148 " " E H 2 "GLU " " N " 7 0 0 1 18.15 5554 154 + 5555 3 -18.838000 -32.105000 9.085000 148 " " E H 2 "GLU " " CA " 6 0 0 1 19.84 5555 154 + 5556 2 -18.125000 -32.634000 10.357000 148 " " E H 2 "GLU " " C " 6 0 0 1 19.05 5556 154 + 5557 15 -18.759000 -33.302000 11.197000 148 " " E H 2 "GLU " " O " 8 0 0 1 21.97 5557 154 + 5558 3 -19.106000 -30.598000 9.184000 148 " " E H 2 "GLU " " CB " 6 0 0 1 23.09 5558 154 + 5559 3 -19.745000 -29.975000 7.928000 148 " " E H 2 "GLU " " CG " 6 0 0 1 20.59 5559 154 + 5560 2 -19.511000 -28.479000 7.893000 148 " " E H 2 "GLU " " CD " 6 0 0 1 26.38 5560 154 + 5561 15 -18.342000 -28.079000 7.778000 148 " " E H 2 "GLU " " OE1" 8 0 0 1 22.9 5561 154 + 5562 18 -20.483000 -27.704000 8.027000 148 " " E H 2 "GLU " " OE2" 8 -1 0 1 26.51 5562 154 + 5563 43 -20.968000 -32.452000 9.165000 148 " " E H 2 "GLU " " H " 1 0 0 1 18.15 5563 154 + 5564 41 -18.204000 -32.295000 8.219000 148 " " E H 2 "GLU " " HA " 1 0 0 1 19.84 5564 154 + 5565 41 -18.174000 -30.080000 9.410000 148 " " E H 2 "GLU " " HB3" 1 0 0 1 23.09 5565 154 + 5566 41 -19.741000 -30.400000 10.048000 148 " " E H 2 "GLU " " HB2" 1 0 0 1 23.09 5566 154 + 5567 41 -20.817000 -30.175000 7.929000 148 " " E H 2 "GLU " " HG3" 1 0 0 1 20.59 5567 154 + 5568 41 -19.313000 -30.431000 7.037000 148 " " E H 2 "GLU " " HG2" 1 0 0 1 20.59 5568 154 + 5569 25 -16.836000 -32.329000 10.524000 149 " " P H 2 "PRO " " N " 7 0 0 1 20.43 5569 155 + 5570 3 -15.922000 -31.575000 9.678000 149 " " P H 2 "PRO " " CA " 6 0 0 1 20.63 5570 155 + 5571 2 -14.945000 -32.437000 8.871000 149 " " P H 2 "PRO " " C " 6 0 0 1 21.48 5571 155 + 5572 15 -14.656000 -33.568000 9.249000 149 " " P H 2 "PRO " " O " 8 0 0 1 23.15 5572 155 + 5573 3 -15.132000 -30.779000 10.714000 149 " " P H 2 "PRO " " CB " 6 0 0 1 21.36 5573 155 + 5574 3 -15.036000 -31.704000 11.889000 149 " " P H 2 "PRO " " CG " 6 0 0 1 25.23 5574 155 + 5575 3 -16.189000 -32.674000 11.805000 149 " " P H 2 "PRO " " CD " 6 0 0 1 21.8 5575 155 + 5576 41 -16.475000 -30.904000 9.020000 149 " " P H 2 "PRO " " HA " 1 0 0 1 20.63 5576 155 + 5577 41 -15.700000 -29.893000 10.998000 149 " " P H 2 "PRO " " HB3" 1 0 0 1 21.36 5577 155 + 5578 41 -14.132000 -30.579000 10.329000 149 " " P H 2 "PRO " " HB2" 1 0 0 1 21.36 5578 155 + 5579 41 -15.113000 -31.128000 12.811000 149 " " P H 2 "PRO " " HG3" 1 0 0 1 25.23 5579 155 + 5580 41 -14.096000 -32.253000 11.842000 149 " " P H 2 "PRO " " HG2" 1 0 0 1 25.23 5580 155 + 5581 41 -15.801000 -33.691000 11.750000 149 " " P H 2 "PRO " " HD2" 1 0 0 1 21.8 5581 155 + 5582 41 -16.883000 -32.480000 12.623000 149 " " P H 2 "PRO " " HD3" 1 0 0 1 21.8 5582 155 + 5583 25 -14.467000 -31.891000 7.760000 150 " " V H 2 "VAL " " N " 7 0 0 1 24.04 5583 156 + 5584 3 -13.239000 -32.363000 7.113000 150 " " V H 2 "VAL " " CA " 6 0 0 1 21.4 5584 156 + 5585 2 -12.164000 -31.382000 7.552000 150 " " V H 2 "VAL " " C " 6 0 0 1 27.62 5585 156 + 5586 15 -12.423000 -30.179000 7.650000 150 " " V H 2 "VAL " " O " 8 0 0 1 28.43 5586 156 + 5587 3 -13.393000 -32.378000 5.552000 150 " " V H 2 "VAL " " CB " 6 0 0 1 25.18 5587 156 + 5588 3 -12.076000 -32.124000 4.834000 150 " " V H 2 "VAL " " CG1" 6 0 0 1 27.82 5588 156 + 5589 3 -13.997000 -33.694000 5.085000 150 " " V H 2 "VAL " " CG2" 6 0 0 1 19.93 5589 156 + 5590 43 -14.953000 -31.119000 7.327000 150 " " V H 2 "VAL " " H " 1 0 0 1 24.04 5590 156 + 5591 41 -12.994000 -33.363000 7.470000 150 " " V H 2 "VAL " " HA " 1 0 0 1 21.4 5591 156 + 5592 41 -14.082000 -31.579000 5.277000 150 " " V H 2 "VAL " " HB " 1 0 0 1 25.18 5592 156 + 5593 41 -12.239000 -32.145000 3.756000 150 " " V H 2 "VAL " "HG11" 1 0 0 1 27.82 5593 156 + 5594 41 -11.686000 -31.148000 5.123000 150 " " V H 2 "VAL " "HG12" 1 0 0 1 27.82 5594 156 + 5595 41 -11.358000 -32.897000 5.107000 150 " " V H 2 "VAL " "HG13" 1 0 0 1 27.82 5595 156 + 5596 41 -14.095000 -33.684000 4.000000 150 " " V H 2 "VAL " "HG21" 1 0 0 1 19.93 5596 156 + 5597 41 -13.349000 -34.518000 5.383000 150 " " V H 2 "VAL " "HG22" 1 0 0 1 19.93 5597 156 + 5598 41 -14.980000 -33.824000 5.537000 150 " " V H 2 "VAL " "HG23" 1 0 0 1 19.93 5598 156 + 5599 25 -10.976000 -31.885000 7.864000 151 " " T H 2 "THR " " N " 7 0 2 1 22.49 5599 157 + 5600 3 -9.836000 -30.995000 8.016000 151 " " T H 2 "THR " " CA " 6 0 2 1 28.18 5600 157 + 5601 2 -8.838000 -31.250000 6.887000 151 " " T H 2 "THR " " C " 6 0 2 1 28.77 5601 157 + 5602 15 -8.713000 -32.371000 6.377000 151 " " T H 2 "THR " " O " 8 0 2 1 24.56 5602 157 + 5603 3 -9.165000 -31.118000 9.393000 151 " " T H 2 "THR " " CB " 6 0 2 1 33.57 5603 157 + 5604 16 -8.663000 -32.447000 9.566000 151 " " T H 2 "THR " " OG1" 8 0 2 1 36.14 5604 157 + 5605 3 -10.169000 -30.784000 10.502000 151 " " T H 2 "THR " " CG2" 6 0 2 1 35.64 5605 157 + 5606 43 -10.868000 -32.881000 7.994000 151 " " T H 2 "THR " " H " 1 0 2 1 22.49 5606 157 + 5607 41 -10.198000 -29.972000 7.914000 151 " " T H 2 "THR " " HA " 1 0 2 1 28.18 5607 157 + 5608 41 -8.333000 -30.416000 9.445000 151 " " T H 2 "THR " " HB " 1 0 2 1 33.57 5608 157 + 5609 42 -8.142000 -32.695000 8.799000 151 " " T H 2 "THR " " HG1" 1 0 2 1 36.14 5609 157 + 5610 41 -9.682000 -30.875000 11.473000 151 " " T H 2 "THR " "HG21" 1 0 2 1 35.64 5610 157 + 5611 41 -10.530000 -29.764000 10.371000 151 " " T H 2 "THR " "HG22" 1 0 2 1 35.64 5611 157 + 5612 41 -11.010000 -31.476000 10.452000 151 " " T H 2 "THR " "HG23" 1 0 2 1 35.64 5612 157 + 5613 25 -8.168000 -30.188000 6.465000 152 " " V H 2 "VAL " " N " 7 0 2 1 26.34 5613 158 + 5614 3 -7.169000 -30.299000 5.419000 152 " " V H 2 "VAL " " CA " 6 0 2 1 23.81 5614 158 + 5615 2 -5.915000 -29.611000 5.896000 152 " " V H 2 "VAL " " C " 6 0 2 1 22.78 5615 158 + 5616 15 -5.968000 -28.500000 6.436000 152 " " V H 2 "VAL " " O " 8 0 2 1 22.85 5616 158 + 5617 3 -7.631000 -29.653000 4.085000 152 " " V H 2 "VAL " " CB " 6 0 2 1 22.04 5617 158 + 5618 3 -6.577000 -29.829000 2.995000 152 " " V H 2 "VAL " " CG1" 6 0 2 1 22.53 5618 158 + 5619 3 -9.028000 -30.242000 3.621000 152 " " V H 2 "VAL " " CG2" 6 0 2 1 23.18 5619 158 + 5620 43 -8.349000 -29.282000 6.873000 152 " " V H 2 "VAL " " H " 1 0 2 1 26.34 5620 158 + 5621 41 -6.952000 -31.353000 5.246000 152 " " V H 2 "VAL " " HA " 1 0 2 1 23.81 5621 158 + 5622 41 -7.759000 -28.584000 4.257000 152 " " V H 2 "VAL " " HB " 1 0 2 1 22.04 5622 158 + 5623 41 -6.927000 -29.367000 2.072000 152 " " V H 2 "VAL " "HG11" 1 0 2 1 22.53 5623 158 + 5624 41 -5.647000 -29.354000 3.308000 152 " " V H 2 "VAL " "HG12" 1 0 2 1 22.53 5624 158 + 5625 41 -6.403000 -30.892000 2.825000 152 " " V H 2 "VAL " "HG13" 1 0 2 1 22.53 5625 158 + 5626 41 -9.328000 -29.772000 2.684000 152 " " V H 2 "VAL " "HG21" 1 0 2 1 23.18 5626 158 + 5627 41 -8.939000 -31.318000 3.475000 152 " " V H 2 "VAL " "HG22" 1 0 2 1 23.18 5627 158 + 5628 41 -9.779000 -30.041000 4.385000 152 " " V H 2 "VAL " "HG23" 1 0 2 1 23.18 5628 158 + 5629 25 -4.799000 -30.294000 5.721000 153 " " S H 2 "SER " " N " 7 0 2 1 20.64 5629 159 + 5630 3 -3.488000 -29.680000 5.856000 153 " " S H 2 "SER " " CA " 6 0 2 1 20.9 5630 159 + 5631 2 -2.716000 -29.871000 4.555000 153 " " S H 2 "SER " " C " 6 0 2 1 22.34 5631 159 + 5632 15 -3.100000 -30.685000 3.688000 153 " " S H 2 "SER " " O " 8 0 2 1 21.57 5632 159 + 5633 3 -2.713000 -30.247000 7.070000 153 " " S H 2 "SER " " CB " 6 0 2 1 25.5 5633 159 + 5634 16 -2.418000 -31.615000 6.924000 153 " " S H 2 "SER " " OG " 8 0 2 1 28.58 5634 159 + 5635 43 -4.839000 -31.275000 5.485000 153 " " S H 2 "SER " " H " 1 0 2 1 20.64 5635 159 + 5636 41 -3.629000 -28.611000 6.013000 153 " " S H 2 "SER " " HA " 1 0 2 1 20.9 5636 159 + 5637 41 -3.300000 -30.097000 7.976000 153 " " S H 2 "SER " " HB3" 1 0 2 1 25.5 5637 159 + 5638 41 -1.786000 -29.688000 7.201000 153 " " S H 2 "SER " " HB2" 1 0 2 1 25.5 5638 159 + 5639 42 -1.884000 -31.745000 6.137000 153 " " S H 2 "SER " " HG " 1 0 2 1 28.58 5639 159 + 5640 25 -1.651000 -29.089000 4.396000 154 " " W H 2 "TRP " " N " 7 0 2 1 22.12 5640 160 + 5641 3 -0.770000 -29.214000 3.240000 154 " " W H 2 "TRP " " CA " 6 0 2 1 18.09 5641 160 + 5642 2 0.617000 -29.576000 3.689000 154 " " W H 2 "TRP " " C " 6 0 2 1 21.95 5642 160 + 5643 15 1.172000 -28.941000 4.613000 154 " " W H 2 "TRP " " O " 8 0 2 1 21.76 5643 160 + 5644 3 -0.752000 -27.908000 2.433000 154 " " W H 2 "TRP " " CB " 6 0 2 1 20.59 5644 160 + 5645 2 -2.030000 -27.740000 1.663000 154 " " W H 2 "TRP " " CG " 6 0 2 1 21.75 5645 160 + 5646 2 -3.198000 -27.163000 2.098000 154 " " W H 2 "TRP " " CD1" 6 0 2 1 24.3 5646 160 + 5647 2 -2.283000 -28.220000 0.346000 154 " " W H 2 "TRP " " CD2" 6 0 2 1 23 5647 160 + 5648 25 -4.150000 -27.237000 1.111000 154 " " W H 2 "TRP " " NE1" 7 0 2 1 24.23 5648 160 + 5649 2 -3.612000 -27.874000 0.021000 154 " " W H 2 "TRP " " CE2" 6 0 2 1 24.14 5649 160 + 5650 2 -1.500000 -28.898000 -0.608000 154 " " W H 2 "TRP " " CE3" 6 0 2 1 19.74 5650 160 + 5651 2 -4.184000 -28.184000 -1.226000 154 " " W H 2 "TRP " " CZ2" 6 0 2 1 19.56 5651 160 + 5652 2 -2.061000 -29.199000 -1.846000 154 " " W H 2 "TRP " " CZ3" 6 0 2 1 22.78 5652 160 + 5653 2 -3.393000 -28.842000 -2.143000 154 " " W H 2 "TRP " " CH2" 6 0 2 1 21.56 5653 160 + 5654 43 -1.434000 -28.385000 5.087000 154 " " W H 2 "TRP " " H " 1 0 2 1 22.12 5654 160 + 5655 41 -1.147000 -30.012000 2.601000 154 " " W H 2 "TRP " " HA " 1 0 2 1 18.09 5655 160 + 5656 41 0.090000 -27.921000 1.741000 154 " " W H 2 "TRP " " HB3" 1 0 2 1 20.59 5656 160 + 5657 41 -0.623000 -27.064000 3.111000 154 " " W H 2 "TRP " " HB2" 1 0 2 1 20.59 5657 160 + 5658 41 -3.255000 -26.741000 3.090000 154 " " W H 2 "TRP " " HD1" 1 0 2 1 24.3 5658 160 + 5659 43 -5.070000 -26.851000 1.267000 154 " " W H 2 "TRP " " HE1" 1 0 2 1 24.23 5659 160 + 5660 41 -0.483000 -29.175000 -0.373000 154 " " W H 2 "TRP " " HE3" 1 0 2 1 19.74 5660 160 + 5661 41 -5.207000 -27.907000 -1.435000 154 " " W H 2 "TRP " " HZ2" 1 0 2 1 19.56 5661 160 + 5662 41 -1.475000 -29.712000 -2.594000 154 " " W H 2 "TRP " " HZ3" 1 0 2 1 22.78 5662 160 + 5663 41 -3.790000 -29.096000 -3.115000 154 " " W H 2 "TRP " " HH2" 1 0 2 1 21.56 5663 160 + 5664 25 1.187000 -30.594000 3.038000 155 " " N H 2 "ASN " " N " 7 0 0 1 20.85 5664 161 + 5665 3 2.547000 -31.043000 3.353000 155 " " N H 2 "ASN " " CA " 6 0 0 1 20.97 5665 161 + 5666 2 2.748000 -31.319000 4.844000 155 " " N H 2 "ASN " " C " 6 0 0 1 21.56 5666 161 + 5667 15 3.755000 -30.899000 5.454000 155 " " N H 2 "ASN " " O " 8 0 0 1 20.11 5667 161 + 5668 3 3.577000 -30.037000 2.806000 155 " " N H 2 "ASN " " CB " 6 0 0 1 19.73 5668 161 + 5669 2 3.616000 -30.024000 1.295000 155 " " N H 2 "ASN " " CG " 6 0 0 1 21.07 5669 161 + 5670 15 3.078000 -30.922000 0.656000 155 " " N H 2 "ASN " " OD1" 8 0 0 1 22.27 5670 161 + 5671 25 4.248000 -29.003000 0.712000 155 " " N H 2 "ASN " " ND2" 7 0 0 1 20.4 5671 161 + 5672 43 0.680000 -31.075000 2.309000 155 " " N H 2 "ASN " " H " 1 0 0 1 20.85 5672 161 + 5673 41 2.705000 -31.984000 2.827000 155 " " N H 2 "ASN " " HA " 1 0 0 1 20.97 5673 161 + 5674 41 4.566000 -30.285000 3.192000 155 " " N H 2 "ASN " " HB3" 1 0 0 1 19.73 5674 161 + 5675 41 3.337000 -29.038000 3.171000 155 " " N H 2 "ASN " " HB2" 1 0 0 1 19.73 5675 161 + 5676 43 4.301000 -28.951000 -0.295000 155 " " N H 2 "ASN " "HD22" 1 0 0 1 20.4 5676 161 + 5677 43 4.674000 -28.283000 1.278000 155 " " N H 2 "ASN " "HD21" 1 0 0 1 20.4 5677 161 + 5678 25 1.778000 -32.038000 5.406000 156 " " S H 2 "SER " " N " 7 0 0 1 20.22 5678 162 + 5679 3 1.782000 -32.469000 6.811000 156 " " S H 2 "SER " " CA " 6 0 0 1 27.65 5679 162 + 5680 2 1.889000 -31.317000 7.797000 156 " " S H 2 "SER " " C " 6 0 0 1 28.14 5680 162 + 5681 15 2.437000 -31.474000 8.884000 156 " " S H 2 "SER " " O " 8 0 0 1 29.71 5681 162 + 5682 3 2.874000 -33.526000 7.048000 156 " " S H 2 "SER " " CB " 6 0 0 1 24.42 5682 162 + 5683 16 2.653000 -34.647000 6.213000 156 " " S H 2 "SER " " OG " 8 0 0 1 31.09 5683 162 + 5684 43 0.977000 -32.320000 4.859000 156 " " S H 2 "SER " " H " 1 0 0 1 20.22 5684 162 + 5685 41 0.824000 -32.956000 6.996000 156 " " S H 2 "SER " " HA " 1 0 0 1 27.65 5685 162 + 5686 41 2.854000 -33.841000 8.091000 156 " " S H 2 "SER " " HB3" 1 0 0 1 24.42 5686 162 + 5687 41 3.850000 -33.095000 6.827000 156 " " S H 2 "SER " " HB2" 1 0 0 1 24.42 5687 162 + 5688 42 2.675000 -34.371000 5.294000 156 " " S H 2 "SER " " HG " 1 0 0 1 31.09 5688 162 + 5689 25 1.347000 -30.161000 7.406000 157 " " G H 2 "GLY " " N " 7 0 0 1 26.37 5689 163 + 5690 3 1.371000 -28.963000 8.236000 157 " " G H 2 "GLY " " CA " 6 0 0 1 26.53 5690 163 + 5691 2 2.536000 -28.037000 7.959000 157 " " G H 2 "GLY " " C " 6 0 0 1 28.13 5691 163 + 5692 15 2.606000 -26.952000 8.524000 157 " " G H 2 "GLY " " O " 8 0 0 1 27.83 5692 163 + 5693 43 0.898000 -30.093000 6.504000 157 " " G H 2 "GLY " " H " 1 0 0 1 26.37 5693 163 + 5694 41 1.381000 -29.252000 9.287000 157 " " G H 2 "GLY " " HA3" 1 0 0 1 26.53 5694 163 + 5695 41 0.437000 -28.416000 8.108000 157 " " G H 2 "GLY " " HA2" 1 0 0 1 26.53 5695 163 + 5696 25 3.464000 -28.461000 7.100000 158 " " A H 2 "ALA " " N " 7 0 0 1 24.57 5696 164 + 5697 3 4.625000 -27.624000 6.773000 158 " " A H 2 "ALA " " CA " 6 0 0 1 24.7 5697 164 + 5698 2 4.281000 -26.434000 5.870000 158 " " A H 2 "ALA " " C " 6 0 0 1 26.6 5698 164 + 5699 15 5.051000 -25.476000 5.793000 158 " " A H 2 "ALA " " O " 8 0 0 1 25.49 5699 164 + 5700 3 5.750000 -28.469000 6.168000 158 " " A H 2 "ALA " " CB " 6 0 0 1 25.79 5700 164 + 5701 43 3.373000 -29.368000 6.665000 158 " " A H 2 "ALA " " H " 1 0 0 1 24.57 5701 164 + 5702 41 5.000000 -27.216000 7.712000 158 " " A H 2 "ALA " " HA " 1 0 0 1 24.7 5702 164 + 5703 41 6.600000 -27.829000 5.933000 158 " " A H 2 "ALA " " HB1" 1 0 0 1 25.79 5703 164 + 5704 41 6.057000 -29.232000 6.883000 158 " " A H 2 "ALA " " HB2" 1 0 0 1 25.79 5704 164 + 5705 41 5.395000 -28.949000 5.256000 158 " " A H 2 "ALA " " HB3" 1 0 0 1 25.79 5705 164 + 5706 25 3.124000 -26.494000 5.196000 159 " " L H 2 "LEU " " N " 7 0 0 1 22.07 5706 165 + 5707 3 2.696000 -25.414000 4.296000 159 " " L H 2 "LEU " " CA " 6 0 0 1 24.32 5707 165 + 5708 2 1.393000 -24.788000 4.818000 159 " " L H 2 "LEU " " C " 6 0 0 1 24.94 5708 165 + 5709 15 0.348000 -25.421000 4.794000 159 " " L H 2 "LEU " " O " 8 0 0 1 25.09 5709 165 + 5710 3 2.521000 -25.941000 2.850000 159 " " L H 2 "LEU " " CB " 6 0 0 1 23.55 5710 165 + 5711 3 1.991000 -25.049000 1.708000 159 " " L H 2 "LEU " " CG " 6 0 0 1 24.13 5711 165 + 5712 3 2.676000 -23.695000 1.580000 159 " " L H 2 "LEU " " CD1" 6 0 0 1 28.52 5712 165 + 5713 3 2.041000 -25.777000 0.345000 159 " " L H 2 "LEU " " CD2" 6 0 0 1 24.13 5713 165 + 5714 43 2.520000 -27.297000 5.300000 159 " " L H 2 "LEU " " H " 1 0 0 1 22.07 5714 165 + 5715 41 3.468000 -24.645000 4.290000 159 " " L H 2 "LEU " " HA " 1 0 0 1 24.32 5715 165 + 5716 41 1.931000 -26.857000 2.881000 159 " " L H 2 "LEU " " HB3" 1 0 0 1 23.55 5716 165 + 5717 41 3.456000 -26.400000 2.530000 159 " " L H 2 "LEU " " HB2" 1 0 0 1 23.55 5717 165 + 5718 41 0.941000 -24.852000 1.923000 159 " " L H 2 "LEU " " HG " 1 0 0 1 24.13 5718 165 + 5719 41 2.235000 -23.141000 0.751000 159 " " L H 2 "LEU " "HD11" 1 0 0 1 28.52 5719 165 + 5720 41 2.544000 -23.132000 2.504000 159 " " L H 2 "LEU " "HD12" 1 0 0 1 28.52 5720 165 + 5721 41 3.740000 -23.842000 1.394000 159 " " L H 2 "LEU " "HD13" 1 0 0 1 28.52 5721 165 + 5722 41 1.660000 -25.117000 -0.434000 159 " " L H 2 "LEU " "HD21" 1 0 0 1 24.13 5722 165 + 5723 41 3.071000 -26.051000 0.116000 159 " " L H 2 "LEU " "HD22" 1 0 0 1 24.13 5723 165 + 5724 41 1.428000 -26.677000 0.390000 159 " " L H 2 "LEU " "HD23" 1 0 0 1 24.13 5724 165 + 5725 25 1.462000 -23.545000 5.289000 160 " " T H 2 "THR " " N " 7 0 0 1 23.58 5725 166 + 5726 3 0.279000 -22.872000 5.845000 160 " " T H 2 "THR " " CA " 6 0 0 1 21.3 5726 166 + 5727 2 0.049000 -21.505000 5.198000 160 " " T H 2 "THR " " C " 6 0 0 1 27.31 5727 166 + 5728 15 -1.099000 -21.045000 5.081000 160 " " T H 2 "THR " " O " 8 0 0 1 24.32 5728 166 + 5729 3 0.396000 -22.692000 7.384000 160 " " T H 2 "THR " " CB " 6 0 0 1 23.6 5729 166 + 5730 16 1.599000 -21.982000 7.700000 160 " " T H 2 "THR " " OG1" 8 0 0 1 21.26 5730 166 + 5731 3 0.418000 -24.028000 8.098000 160 " " T H 2 "THR " " CG2" 6 0 0 1 26.76 5731 166 + 5732 43 2.339000 -23.045000 5.269000 160 " " T H 2 "THR " " H " 1 0 0 1 23.58 5732 166 + 5733 41 -0.592000 -23.494000 5.642000 160 " " T H 2 "THR " " HA " 1 0 0 1 21.3 5733 166 + 5734 41 -0.458000 -22.116000 7.739000 160 " " T H 2 "THR " " HB " 1 0 0 1 23.6 5734 166 + 5735 42 1.667000 -21.873000 8.651000 160 " " T H 2 "THR " " HG1" 1 0 0 1 21.26 5735 166 + 5736 41 0.501000 -23.865000 9.173000 160 " " T H 2 "THR " "HG21" 1 0 0 1 26.76 5736 166 + 5737 41 -0.503000 -24.571000 7.883000 160 " " T H 2 "THR " "HG22" 1 0 0 1 26.76 5737 166 + 5738 41 1.272000 -24.611000 7.753000 160 " " T H 2 "THR " "HG23" 1 0 0 1 26.76 5738 166 + 5739 25 1.135000 -20.845000 4.791000 161 " " S H 2 "SER " " N " 7 0 0 1 24.2 5739 167 + 5740 3 1.031000 -19.539000 4.164000 161 " " S H 2 "SER " " CA " 6 0 0 0.5 25.34 5740 167 + 5741 2 0.239000 -19.616000 2.850000 161 " " S H 2 "SER " " C " 6 0 0 1 27.24 5741 167 + 5742 15 0.466000 -20.513000 2.035000 161 " " S H 2 "SER " " O " 8 0 0 1 28.84 5742 167 + 5743 3 2.424000 -18.969000 3.930000 161 " " S H 2 "SER " " CB " 6 0 0 0.5 24.67 5743 167 + 5744 16 2.344000 -17.618000 3.555000 161 " " S H 2 "SER " " OG " 8 0 0 0.5 26 5744 167 + 5745 43 2.050000 -21.253000 4.917000 161 " " S H 2 "SER " " H " 1 0 0 1 24.2 5745 167 + 5746 41 0.500000 -18.874000 4.845000 161 " " S H 2 "SER " " HA " 1 0 0 1 25.34 5746 167 + 5747 41 2.920000 -19.536000 3.142000 161 " " S H 2 "SER " " HB3" 1 0 0 1 24.67 5747 167 + 5748 41 3.011000 -19.058000 4.844000 161 " " S H 2 "SER " " HB2" 1 0 0 1 24.67 5748 167 + 5749 42 1.835000 -17.540000 2.745000 161 " " S H 2 "SER " " HG " 1 0 0 1 26 5749 167 + 5750 25 -0.700000 -18.681000 2.666000 162 " " G H 2 "GLY " " N " 7 0 0 1 25.08 5750 168 + 5751 3 -1.481000 -18.574000 1.420000 162 " " G H 2 "GLY " " CA " 6 0 0 1 28.59 5751 168 + 5752 2 -2.491000 -19.693000 1.183000 162 " " G H 2 "GLY " " C " 6 0 0 1 24.28 5752 168 + 5753 15 -3.039000 -19.816000 0.086000 162 " " G H 2 "GLY " " O " 8 0 0 1 27.07 5753 168 + 5754 43 -0.897000 -18.012000 3.397000 162 " " G H 2 "GLY " " H " 1 0 0 1 25.08 5754 168 + 5755 41 -0.799000 -18.518000 0.571000 162 " " G H 2 "GLY " " HA3" 1 0 0 1 28.59 5755 168 + 5756 41 -1.996000 -17.614000 1.399000 162 " " G H 2 "GLY " " HA2" 1 0 0 1 28.59 5756 168 + 5757 25 -2.722000 -20.517000 2.200000 163 " " V H 2 "VAL " " N " 7 0 2 1 23.28 5757 169 + 5758 3 -3.736000 -21.569000 2.126000 163 " " V H 2 "VAL " " CA " 6 0 2 1 23.94 5758 169 + 5759 2 -5.110000 -20.975000 2.406000 163 " " V H 2 "VAL " " C " 6 0 2 1 23.61 5759 169 + 5760 15 -5.277000 -20.176000 3.329000 163 " " V H 2 "VAL " " O " 8 0 2 1 22.61 5760 169 + 5761 3 -3.448000 -22.732000 3.127000 163 " " V H 2 "VAL " " CB " 6 0 2 1 20.21 5761 169 + 5762 3 -4.660000 -23.680000 3.243000 163 " " V H 2 "VAL " " CG1" 6 0 2 1 23.6 5762 169 + 5763 3 -2.168000 -23.489000 2.732000 163 " " V H 2 "VAL " " CG2" 6 0 2 1 20.29 5763 169 + 5764 43 -2.191000 -20.426000 3.054000 163 " " V H 2 "VAL " " H " 1 0 2 1 23.28 5764 169 + 5765 41 -3.736000 -21.977000 1.115000 163 " " V H 2 "VAL " " HA " 1 0 2 1 23.94 5765 169 + 5766 41 -3.280000 -22.289000 4.109000 163 " " V H 2 "VAL " " HB " 1 0 2 1 20.21 5766 169 + 5767 41 -4.430000 -24.480000 3.947000 163 " " V H 2 "VAL " "HG11" 1 0 2 1 23.6 5767 169 + 5768 41 -5.526000 -23.122000 3.598000 163 " " V H 2 "VAL " "HG12" 1 0 2 1 23.6 5768 169 + 5769 41 -4.881000 -24.109000 2.266000 163 " " V H 2 "VAL " "HG13" 1 0 2 1 23.6 5769 169 + 5770 41 -1.987000 -24.295000 3.444000 163 " " V H 2 "VAL " "HG21" 1 0 2 1 20.29 5770 169 + 5771 41 -2.287000 -23.908000 1.733000 163 " " V H 2 "VAL " "HG22" 1 0 2 1 20.29 5771 169 + 5772 41 -1.322000 -22.802000 2.740000 163 " " V H 2 "VAL " "HG23" 1 0 2 1 20.29 5772 169 + 5773 25 -6.095000 -21.347000 1.595000 164 " " H H 2 "HIS " " N " 7 0 2 1 22.28 5773 170 + 5774 3 -7.492000 -21.012000 1.879000 164 " " H H 2 "HIS " " CA " 6 0 2 1 23.6 5774 170 + 5775 2 -8.286000 -22.323000 1.876000 164 " " H H 2 "HIS " " C " 6 0 2 1 23.47 5775 170 + 5776 15 -8.459000 -22.954000 0.852000 164 " " H H 2 "HIS " " O " 8 0 2 1 21.75 5776 170 + 5777 3 -8.075000 -20.016000 0.853000 164 " " H H 2 "HIS " " CB " 6 0 2 1 25.1 5777 170 + 5778 2 -7.339000 -18.705000 0.767000 164 " " H H 2 "HIS " " CG " 6 0 2 1 22.83 5778 170 + 5779 25 -7.258000 -17.817000 1.818000 164 " " H H 2 "HIS " " ND1" 7 0 2 1 24.49 5779 170 + 5780 2 -6.670000 -18.130000 -0.260000 164 " " H H 2 "HIS " " CD2" 6 0 2 1 24.78 5780 170 + 5781 2 -6.568000 -16.753000 1.442000 164 " " H H 2 "HIS " " CE1" 6 0 2 1 24.13 5781 170 + 5782 25 -6.212000 -16.913000 0.184000 164 " " H H 2 "HIS " " NE2" 7 0 2 1 27.82 5782 170 + 5783 43 -5.889000 -21.874000 0.759000 164 " " H H 2 "HIS " " H " 1 0 2 1 22.28 5783 170 + 5784 41 -7.552000 -20.568000 2.873000 164 " " H H 2 "HIS " " HA " 1 0 2 1 23.6 5784 170 + 5785 41 -9.122000 -19.827000 1.088000 164 " " H H 2 "HIS " " HB3" 1 0 2 1 25.1 5785 170 + 5786 41 -8.097000 -20.483000 -0.132000 164 " " H H 2 "HIS " " HB2" 1 0 2 1 25.1 5786 170 + 5787 41 -6.586000 -18.645000 -1.206000 164 " " H H 2 "HIS " " HD2" 1 0 2 1 24.78 5787 170 + 5788 41 -6.391000 -15.949000 2.141000 164 " " H H 2 "HIS " " HE1" 1 0 2 1 24.13 5788 170 + 5789 43 -5.693000 -16.311000 -0.439000 164 " " H H 2 "HIS " " HE2" 1 0 2 1 27.82 5789 170 + 5790 25 -8.742000 -22.747000 3.041000 165 " " T H 2 "THR " " N " 7 0 2 1 24.07 5790 171 + 5791 3 -9.627000 -23.902000 3.104000 165 " " T H 2 "THR " " CA " 6 0 2 1 21.65 5791 171 + 5792 2 -11.050000 -23.393000 3.320000 165 " " T H 2 "THR " " C " 6 0 2 1 24.45 5792 171 + 5793 15 -11.388000 -22.859000 4.375000 165 " " T H 2 "THR " " O " 8 0 2 1 20.98 5793 171 + 5794 3 -9.166000 -24.873000 4.188000 165 " " T H 2 "THR " " CB " 6 0 2 1 26.19 5794 171 + 5795 16 -7.852000 -25.320000 3.839000 165 " " T H 2 "THR " " OG1" 8 0 2 1 25.6 5795 171 + 5796 3 -10.121000 -26.080000 4.293000 165 " " T H 2 "THR " " CG2" 6 0 2 1 24.64 5796 171 + 5797 43 -8.477000 -22.270000 3.891000 165 " " T H 2 "THR " " H " 1 0 2 1 24.07 5797 171 + 5798 41 -9.589000 -24.416000 2.144000 165 " " T H 2 "THR " " HA " 1 0 2 1 21.65 5798 171 + 5799 41 -9.130000 -24.355000 5.147000 165 " " T H 2 "THR " " HB " 1 0 2 1 26.19 5799 171 + 5800 42 -7.355000 -25.509000 4.638000 165 " " T H 2 "THR " " HG1" 1 0 2 1 25.6 5800 171 + 5801 41 -9.769000 -26.756000 5.073000 165 " " T H 2 "THR " "HG21" 1 0 2 1 24.64 5801 171 + 5802 41 -11.123000 -25.730000 4.541000 165 " " T H 2 "THR " "HG22" 1 0 2 1 24.64 5802 171 + 5803 41 -10.146000 -26.608000 3.340000 165 " " T H 2 "THR " "HG23" 1 0 2 1 24.64 5803 171 + 5804 25 -11.878000 -23.537000 2.296000 166 " " F H 2 "PHE " " N " 7 0 0 1 19.14 5804 172 + 5805 3 -13.156000 -22.835000 2.307000 166 " " F H 2 "PHE " " CA " 6 0 0 1 23.75 5805 172 + 5806 2 -14.191000 -23.531000 3.189000 166 " " F H 2 "PHE " " C " 6 0 0 1 24.16 5806 172 + 5807 15 -14.161000 -24.759000 3.345000 166 " " F H 2 "PHE " " O " 8 0 0 1 22.49 5807 172 + 5808 3 -13.702000 -22.682000 0.898000 166 " " F H 2 "PHE " " CB " 6 0 0 1 23.79 5808 172 + 5809 2 -12.866000 -21.783000 0.005000 166 " " F H 2 "PHE " " CG " 6 0 0 1 23.13 5809 172 + 5810 2 -13.201000 -20.453000 -0.158000 166 " " F H 2 "PHE " " CD1" 6 0 0 1 25.71 5810 172 + 5811 2 -11.789000 -22.306000 -0.730000 166 " " F H 2 "PHE " " CD2" 6 0 0 1 24.76 5811 172 + 5812 2 -12.433000 -19.635000 -0.974000 166 " " F H 2 "PHE " " CE1" 6 0 0 1 24.59 5812 172 + 5813 2 -11.010000 -21.491000 -1.546000 166 " " F H 2 "PHE " " CE2" 6 0 0 1 26.11 5813 172 + 5814 2 -11.339000 -20.158000 -1.670000 166 " " F H 2 "PHE " " CZ " 6 0 0 1 24.47 5814 172 + 5815 43 -11.621000 -24.128000 1.518000 166 " " F H 2 "PHE " " H " 1 0 0 1 19.14 5815 172 + 5816 41 -12.987000 -21.837000 2.712000 166 " " F H 2 "PHE " " HA " 1 0 0 1 23.75 5816 172 + 5817 41 -14.721000 -22.298000 0.945000 166 " " F H 2 "PHE " " HB3" 1 0 0 1 23.79 5817 172 + 5818 41 -13.793000 -23.665000 0.437000 166 " " F H 2 "PHE " " HB2" 1 0 0 1 23.79 5818 172 + 5819 41 -14.063000 -20.047000 0.351000 166 " " F H 2 "PHE " " HD1" 1 0 0 1 25.71 5819 172 + 5820 41 -11.553000 -23.358000 -0.668000 166 " " F H 2 "PHE " " HD2" 1 0 0 1 24.76 5820 172 + 5821 41 -12.679000 -18.588000 -1.074000 166 " " F H 2 "PHE " " HE1" 1 0 0 1 24.59 5821 172 + 5822 41 -10.162000 -21.905000 -2.071000 166 " " F H 2 "PHE " " HE2" 1 0 0 1 26.11 5822 172 + 5823 41 -10.748000 -19.517000 -2.308000 166 " " F H 2 "PHE " " HZ " 1 0 0 1 24.47 5823 172 + 5824 25 -15.122000 -22.739000 3.757000 167 " " P H 2 "PRO " " N " 7 0 0 1 24.64 5824 173 + 5825 3 -16.304000 -23.315000 4.394000 167 " " P H 2 "PRO " " CA " 6 0 0 1 21.31 5825 173 + 5826 2 -16.993000 -24.304000 3.459000 167 " " P H 2 "PRO " " C " 6 0 0 1 22.92 5826 173 + 5827 15 -17.105000 -24.060000 2.237000 167 " " P H 2 "PRO " " O " 8 0 0 1 22.95 5827 173 + 5828 3 -17.194000 -22.087000 4.660000 167 " " P H 2 "PRO " " CB " 6 0 0 1 23.46 5828 173 + 5829 3 -16.205000 -20.963000 4.842000 167 " " P H 2 "PRO " " CG " 6 0 0 1 23.3 5829 173 + 5830 3 -15.090000 -21.266000 3.869000 167 " " P H 2 "PRO " " CD " 6 0 0 1 25.98 5830 173 + 5831 41 -16.034000 -23.801000 5.332000 167 " " P H 2 "PRO " " HA " 1 0 0 1 21.31 5831 173 + 5832 41 -17.745000 -22.236000 5.589000 167 " " P H 2 "PRO " " HB3" 1 0 0 1 23.46 5832 173 + 5833 41 -17.807000 -21.889000 3.781000 167 " " P H 2 "PRO " " HB2" 1 0 0 1 23.46 5833 173 + 5834 41 -15.814000 -20.987000 5.859000 167 " " P H 2 "PRO " " HG3" 1 0 0 1 23.3 5834 173 + 5835 41 -16.677000 -20.019000 4.569000 167 " " P H 2 "PRO " " HG2" 1 0 0 1 23.3 5835 173 + 5836 41 -15.328000 -20.826000 2.901000 167 " " P H 2 "PRO " " HD2" 1 0 0 1 25.98 5836 173 + 5837 41 -14.139000 -20.959000 4.304000 167 " " P H 2 "PRO " " HD3" 1 0 0 1 25.98 5837 173 + 5838 25 -17.425000 -25.424000 4.034000 168 " " A H 2 "ALA " " N " 7 0 0 1 23.13 5838 174 + 5839 3 -18.174000 -26.443000 3.301000 168 " " A H 2 "ALA " " CA " 6 0 0 1 23.39 5839 174 + 5840 2 -19.476000 -25.860000 2.758000 168 " " A H 2 "ALA " " C " 6 0 0 1 22.16 5840 174 + 5841 15 -20.065000 -24.970000 3.372000 168 " " A H 2 "ALA " " O " 8 0 0 1 20.25 5841 174 + 5842 3 -18.484000 -27.625000 4.212000 168 " " A H 2 "ALA " " CB " 6 0 0 1 24.89 5842 174 + 5843 43 -17.238000 -25.594000 5.012000 168 " " A H 2 "ALA " " H " 1 0 0 1 23.13 5843 174 + 5844 41 -17.568000 -26.792000 2.465000 168 " " A H 2 "ALA " " HA " 1 0 0 1 23.39 5844 174 + 5845 41 -19.042000 -28.377000 3.655000 168 " " A H 2 "ALA " " HB1" 1 0 0 1 24.89 5845 174 + 5846 41 -17.552000 -28.059000 4.575000 168 " " A H 2 "ALA " " HB2" 1 0 0 1 24.89 5846 174 + 5847 41 -19.080000 -27.285000 5.059000 168 " " A H 2 "ALA " " HB3" 1 0 0 1 24.89 5847 174 + 5848 25 -19.906000 -26.351000 1.601000 169 " " V H 2 "VAL " " N " 7 0 2 1 20.03 5848 175 + 5849 3 -21.262000 -26.085000 1.126000 169 " " V H 2 "VAL " " CA " 6 0 2 1 22.9 5849 175 + 5850 2 -22.080000 -27.370000 1.255000 169 " " V H 2 "VAL " " C " 6 0 2 1 23.16 5850 175 + 5851 15 -21.537000 -28.476000 1.208000 169 " " V H 2 "VAL " " O " 8 0 2 1 22.94 5851 175 + 5852 3 -21.300000 -25.567000 -0.344000 169 " " V H 2 "VAL " " CB " 6 0 2 1 25.3 5852 175 + 5853 3 -20.611000 -24.219000 -0.465000 169 " " V H 2 "VAL " " CG1" 6 0 2 1 25.63 5853 175 + 5854 3 -20.706000 -26.588000 -1.324000 169 " " V H 2 "VAL " " CG2" 6 0 2 1 25.19 5854 175 + 5855 43 -19.292000 -26.918000 1.034000 169 " " V H 2 "VAL " " H " 1 0 2 1 20.03 5855 175 + 5856 41 -21.709000 -25.327000 1.769000 169 " " V H 2 "VAL " " HA " 1 0 2 1 22.9 5856 175 + 5857 41 -22.346000 -25.425000 -0.614000 169 " " V H 2 "VAL " " HB " 1 0 2 1 25.3 5857 175 + 5858 41 -20.652000 -23.881000 -1.500000 169 " " V H 2 "VAL " "HG11" 1 0 2 1 25.63 5858 175 + 5859 41 -21.116000 -23.494000 0.174000 169 " " V H 2 "VAL " "HG12" 1 0 2 1 25.63 5859 175 + 5860 41 -19.570000 -24.313000 -0.155000 169 " " V H 2 "VAL " "HG13" 1 0 2 1 25.63 5860 175 + 5861 41 -20.751000 -26.189000 -2.337000 169 " " V H 2 "VAL " "HG21" 1 0 2 1 25.19 5861 175 + 5862 41 -19.668000 -26.786000 -1.058000 169 " " V H 2 "VAL " "HG22" 1 0 2 1 25.19 5862 175 + 5863 41 -21.277000 -27.515000 -1.274000 169 " " V H 2 "VAL " "HG23" 1 0 2 1 25.19 5863 175 + 5864 25 -23.379000 -27.197000 1.445000 170 " " L H 2 "LEU " " N " 7 0 2 1 19.74 5864 176 + 5865 3 -24.322000 -28.297000 1.544000 170 " " L H 2 "LEU " " CA " 6 0 2 1 22.71 5865 176 + 5866 2 -24.882000 -28.517000 0.151000 170 " " L H 2 "LEU " " C " 6 0 2 1 24.5 5866 176 + 5867 15 -25.511000 -27.630000 -0.427000 170 " " L H 2 "LEU " " O " 8 0 2 1 25.02 5867 176 + 5868 3 -25.415000 -27.963000 2.567000 170 " " L H 2 "LEU " " CB " 6 0 2 1 23.21 5868 176 + 5869 3 -26.506000 -28.992000 2.870000 170 " " L H 2 "LEU " " CG " 6 0 2 1 25.57 5869 176 + 5870 3 -25.859000 -30.300000 3.381000 170 " " L H 2 "LEU " " CD1" 6 0 2 1 26.88 5870 176 + 5871 3 -27.507000 -28.413000 3.880000 170 " " L H 2 "LEU " " CD2" 6 0 2 1 22.9 5871 176 + 5872 43 -23.757000 -26.264000 1.528000 170 " " L H 2 "LEU " " H " 1 0 2 1 19.74 5872 176 + 5873 41 -23.793000 -29.195000 1.864000 170 " " L H 2 "LEU " " HA " 1 0 2 1 22.71 5873 176 + 5874 41 -25.885000 -27.020000 2.289000 170 " " L H 2 "LEU " " HB3" 1 0 2 1 23.21 5874 176 + 5875 41 -24.945000 -27.659000 3.502000 170 " " L H 2 "LEU " " HB2" 1 0 2 1 23.21 5875 176 + 5876 41 -27.039000 -29.211000 1.945000 170 " " L H 2 "LEU " " HG " 1 0 2 1 25.57 5876 176 + 5877 41 -26.638000 -31.031000 3.596000 170 " " L H 2 "LEU " "HD11" 1 0 2 1 26.88 5877 176 + 5878 41 -25.189000 -30.697000 2.618000 170 " " L H 2 "LEU " "HD12" 1 0 2 1 26.88 5878 176 + 5879 41 -25.293000 -30.095000 4.290000 170 " " L H 2 "LEU " "HD13" 1 0 2 1 26.88 5879 176 + 5880 41 -28.280000 -29.152000 4.090000 170 " " L H 2 "LEU " "HD21" 1 0 2 1 22.9 5880 176 + 5881 41 -26.987000 -28.160000 4.804000 170 " " L H 2 "LEU " "HD22" 1 0 2 1 22.9 5881 176 + 5882 41 -27.966000 -27.516000 3.464000 170 " " L H 2 "LEU " "HD23" 1 0 2 1 22.9 5882 176 + 5883 25 -24.616000 -29.696000 -0.399000 171 " " Q H 2 "GLN " " N " 7 0 0 1 21.41 5883 177 + 5884 3 -25.139000 -30.075000 -1.706000 171 " " Q H 2 "GLN " " CA " 6 0 0 1 22.49 5884 177 + 5885 2 -26.600000 -30.490000 -1.594000 171 " " Q H 2 "GLN " " C " 6 0 0 1 23.46 5885 177 + 5886 15 -27.102000 -30.728000 -0.490000 171 " " Q H 2 "GLN " " O " 8 0 0 1 23.62 5886 177 + 5887 3 -24.269000 -31.181000 -2.317000 171 " " Q H 2 "GLN " " CB " 6 0 0 1 26.91 5887 177 + 5888 3 -22.794000 -30.767000 -2.449000 171 " " Q H 2 "GLN " " CG " 6 0 0 1 30.38 5888 177 + 5889 2 -21.899000 -31.905000 -2.868000 171 " " Q H 2 "GLN " " CD " 6 0 0 1 38.03 5889 177 + 5890 15 -21.453000 -31.966000 -4.019000 171 " " Q H 2 "GLN " " OE1" 8 0 0 1 39.83 5890 177 + 5891 25 -21.629000 -32.825000 -1.941000 171 " " Q H 2 "GLN " " NE2" 7 0 0 1 34.38 5891 177 + 5892 43 -24.035000 -30.362000 0.090000 171 " " Q H 2 "GLN " " H " 1 0 0 1 21.41 5892 177 + 5893 41 -25.084000 -29.203000 -2.358000 171 " " Q H 2 "GLN " " HA " 1 0 0 1 22.49 5893 177 + 5894 41 -24.660000 -31.448000 -3.299000 171 " " Q H 2 "GLN " " HB3" 1 0 0 1 26.91 5894 177 + 5895 41 -24.340000 -32.079000 -1.703000 171 " " Q H 2 "GLN " " HB2" 1 0 0 1 26.91 5895 177 + 5896 41 -22.445000 -30.363000 -1.499000 171 " " Q H 2 "GLN " " HG3" 1 0 0 1 30.38 5896 177 + 5897 41 -22.709000 -29.955000 -3.171000 171 " " Q H 2 "GLN " " HG2" 1 0 0 1 30.38 5897 177 + 5898 43 -21.035000 -33.610000 -2.166000 171 " " Q H 2 "GLN " "HE22" 1 0 0 1 34.38 5898 177 + 5899 43 -22.019000 -32.737000 -1.013000 171 " " Q H 2 "GLN " "HE21" 1 0 0 1 34.38 5899 177 + 5900 25 -27.287000 -30.563000 -2.735000 172 " " S H 2 "SER " " N " 7 0 0 1 24.72 5900 178 + 5901 3 -28.708000 -30.893000 -2.755000 172 " " S H 2 "SER " " CA " 6 0 0 1 28.24 5901 178 + 5902 2 -28.942000 -32.279000 -2.150000 172 " " S H 2 "SER " " C " 6 0 0 1 28.52 5902 178 + 5903 15 -29.985000 -32.518000 -1.541000 172 " " S H 2 "SER " " O " 8 0 0 1 26.19 5903 178 + 5904 3 -29.278000 -30.818000 -4.179000 172 " " S H 2 "SER " " CB " 6 0 0 1 27.15 5904 178 + 5905 16 -28.493000 -31.575000 -5.080000 172 " " S H 2 "SER " " OG " 8 0 0 1 38.64 5905 178 + 5906 43 -26.824000 -30.388000 -3.615000 172 " " S H 2 "SER " " H " 1 0 0 1 24.72 5906 178 + 5907 41 -29.234000 -30.162000 -2.141000 172 " " S H 2 "SER " " HA " 1 0 0 1 28.24 5907 178 + 5908 41 -29.304000 -29.778000 -4.505000 172 " " S H 2 "SER " " HB3" 1 0 0 1 27.15 5908 178 + 5909 41 -30.300000 -31.197000 -4.181000 172 " " S H 2 "SER " " HB2" 1 0 0 1 27.15 5909 178 + 5910 42 -28.868000 -31.513000 -5.962000 172 " " S H 2 "SER " " HG " 1 0 0 1 38.64 5910 178 + 5911 25 -27.951000 -33.162000 -2.312000 173 " " S H 2 "SER " " N " 7 0 0 1 28.49 5911 179 + 5912 3 -27.952000 -34.511000 -1.726000 173 " " S H 2 "SER " " CA " 6 0 0 1 27.07 5912 179 + 5913 2 -27.987000 -34.536000 -0.187000 173 " " S H 2 "SER " " C " 6 0 0 1 25.19 5913 179 + 5914 15 -28.343000 -35.552000 0.421000 173 " " S H 2 "SER " " O " 8 0 0 1 27.98 5914 179 + 5915 3 -26.727000 -35.288000 -2.218000 173 " " S H 2 "SER " " CB " 6 0 0 1 25.06 5915 179 + 5916 16 -25.522000 -34.643000 -1.823000 173 " " S H 2 "SER " " OG " 8 0 0 1 21.94 5916 179 + 5917 43 -27.141000 -32.917000 -2.864000 173 " " S H 2 "SER " " H " 1 0 0 1 28.49 5917 179 + 5918 41 -28.841000 -35.029000 -2.087000 173 " " S H 2 "SER " " HA " 1 0 0 1 27.07 5918 179 + 5919 41 -26.758000 -35.364000 -3.305000 173 " " S H 2 "SER " " HB3" 1 0 0 1 25.06 5919 179 + 5920 41 -26.749000 -36.298000 -1.808000 173 " " S H 2 "SER " " HB2" 1 0 0 1 25.06 5920 179 + 5921 42 -24.838000 -34.815000 -2.474000 173 " " S H 2 "SER " " HG " 1 0 0 1 21.94 5921 179 + 5922 25 -27.614000 -33.430000 0.440000 174 " " G H 2 "GLY " " N " 7 0 0 1 20.72 5922 180 + 5923 3 -27.422000 -33.407000 1.884000 174 " " G H 2 "GLY " " CA " 6 0 0 1 23.28 5923 180 + 5924 2 -25.997000 -33.735000 2.300000 174 " " G H 2 "GLY " " C " 6 0 0 1 24.47 5924 180 + 5925 15 -25.683000 -33.755000 3.505000 174 " " G H 2 "GLY " " O " 8 0 0 1 22.98 5925 180 + 5926 43 -27.457000 -32.581000 -0.084000 174 " " G H 2 "GLY " " H " 1 0 0 1 20.72 5926 180 + 5927 41 -28.107000 -34.114000 2.352000 174 " " G H 2 "GLY " " HA3" 1 0 0 1 23.28 5927 180 + 5928 41 -27.695000 -32.425000 2.270000 174 " " G H 2 "GLY " " HA2" 1 0 0 1 23.28 5928 180 + 5929 25 -25.131000 -33.978000 1.310000 175 " " L H 2 "LEU " " N " 7 0 0 1 20.75 5929 181 + 5930 3 -23.712000 -34.178000 1.545000 175 " " L H 2 "LEU " " CA " 6 0 0 1 17 5930 181 + 5931 2 -22.961000 -32.850000 1.433000 175 " " L H 2 "LEU " " C " 6 0 0 1 20.9 5931 181 + 5932 15 -23.402000 -31.942000 0.730000 175 " " L H 2 "LEU " " O " 8 0 0 1 23.97 5932 181 + 5933 3 -23.121000 -35.183000 0.539000 175 " " L H 2 "LEU " " CB " 6 0 0 1 18.97 5933 181 + 5934 3 -23.748000 -36.584000 0.478000 175 " " L H 2 "LEU " " CG " 6 0 0 1 22.65 5934 181 + 5935 3 -23.091000 -37.419000 -0.637000 175 " " L H 2 "LEU " " CD1" 6 0 0 1 23.57 5935 181 + 5936 3 -23.647000 -37.317000 1.810000 175 " " L H 2 "LEU " " CD2" 6 0 0 1 24.91 5936 181 + 5937 43 -25.457000 -34.028000 0.355000 175 " " L H 2 "LEU " " H " 1 0 0 1 20.75 5937 181 + 5938 41 -23.577000 -34.572000 2.552000 175 " " L H 2 "LEU " " HA " 1 0 0 1 17 5938 181 + 5939 41 -22.050000 -35.278000 0.716000 175 " " L H 2 "LEU " " HB3" 1 0 0 1 18.97 5939 181 + 5940 41 -23.135000 -34.741000 -0.457000 175 " " L H 2 "LEU " " HB2" 1 0 0 1 18.97 5940 181 + 5941 41 -24.805000 -36.470000 0.235000 175 " " L H 2 "LEU " " HG " 1 0 0 1 22.65 5941 181 + 5942 41 -23.547000 -38.409000 -0.667000 175 " " L H 2 "LEU " "HD11" 1 0 0 1 23.57 5942 181 + 5943 41 -23.237000 -36.923000 -1.597000 175 " " L H 2 "LEU " "HD12" 1 0 0 1 23.57 5943 181 + 5944 41 -22.024000 -37.517000 -0.438000 175 " " L H 2 "LEU " "HD13" 1 0 0 1 23.57 5944 181 + 5945 41 -24.103000 -38.303000 1.718000 175 " " L H 2 "LEU " "HD21" 1 0 0 1 24.91 5945 181 + 5946 41 -22.598000 -37.427000 2.086000 175 " " L H 2 "LEU " "HD22" 1 0 0 1 24.91 5946 181 + 5947 41 -24.167000 -36.746000 2.580000 175 " " L H 2 "LEU " "HD23" 1 0 0 1 24.91 5947 181 + 5948 25 -21.822000 -32.749000 2.100000 176 " " Y H 2 "TYR " " N " 7 0 2 1 21.8 5948 182 + 5949 3 -20.998000 -31.537000 2.041000 176 " " Y H 2 "TYR " " CA " 6 0 2 1 17.44 5949 182 + 5950 2 -19.879000 -31.654000 1.000000 176 " " Y H 2 "TYR " " C " 6 0 2 1 20.08 5950 182 + 5951 15 -19.476000 -32.764000 0.648000 176 " " Y H 2 "TYR " " O " 8 0 2 1 20.08 5951 182 + 5952 3 -20.351000 -31.263000 3.404000 176 " " Y H 2 "TYR " " CB " 6 0 2 1 22.54 5952 182 + 5953 2 -21.327000 -30.928000 4.497000 176 " " Y H 2 "TYR " " CG " 6 0 2 1 20.56 5953 182 + 5954 2 -21.827000 -29.634000 4.630000 176 " " Y H 2 "TYR " " CD1" 6 0 2 1 20.71 5954 182 + 5955 2 -21.753000 -31.899000 5.388000 176 " " Y H 2 "TYR " " CD2" 6 0 2 1 22.72 5955 182 + 5956 2 -22.753000 -29.313000 5.626000 176 " " Y H 2 "TYR " " CE1" 6 0 2 1 23.18 5956 182 + 5957 2 -22.661000 -31.595000 6.398000 176 " " Y H 2 "TYR " " CE2" 6 0 2 1 22.39 5957 182 + 5958 2 -23.150000 -30.291000 6.514000 176 " " Y H 2 "TYR " " CZ " 6 0 2 1 23 5958 182 + 5959 16 -24.050000 -29.975000 7.504000 176 " " Y H 2 "TYR " " OH " 8 0 2 1 25.57 5959 182 + 5960 43 -21.500000 -33.519000 2.668000 176 " " Y H 2 "TYR " " H " 1 0 2 1 21.8 5960 182 + 5961 41 -21.635000 -30.692000 1.778000 176 " " Y H 2 "TYR " " HA " 1 0 2 1 17.44 5961 182 + 5962 41 -19.628000 -30.453000 3.304000 176 " " Y H 2 "TYR " " HB3" 1 0 2 1 22.54 5962 182 + 5963 41 -19.757000 -32.127000 3.702000 176 " " Y H 2 "TYR " " HB2" 1 0 2 1 22.54 5963 182 + 5964 41 -21.499000 -28.857000 3.956000 176 " " Y H 2 "TYR " " HD1" 1 0 2 1 20.71 5964 182 + 5965 41 -21.380000 -32.909000 5.305000 176 " " Y H 2 "TYR " " HD2" 1 0 2 1 22.72 5965 182 + 5966 41 -23.148000 -28.310000 5.693000 176 " " Y H 2 "TYR " " HE1" 1 0 2 1 23.18 5966 182 + 5967 41 -22.982000 -32.364000 7.085000 176 " " Y H 2 "TYR " " HE2" 1 0 2 1 22.39 5967 182 + 5968 42 -24.260000 -30.763000 8.010000 176 " " Y H 2 "TYR " " HH " 1 0 2 1 25.57 5968 182 + 5969 25 -19.381000 -30.496000 0.536000 177 " " S H 2 "SER " " N " 7 0 2 1 19.8 5969 183 + 5970 3 -18.200000 -30.409000 -0.323000 177 " " S H 2 "SER " " CA " 6 0 2 0.5 21.02 5970 183 + 5971 2 -17.393000 -29.179000 0.101000 177 " " S H 2 "SER " " C " 6 0 2 1 22.28 5971 183 + 5972 15 -17.971000 -28.168000 0.470000 177 " " S H 2 "SER " " O " 8 0 2 1 20.07 5972 183 + 5973 3 -18.637000 -30.251000 -1.781000 177 " " S H 2 "SER " " CB " 6 0 2 0.5 22.86 5973 183 + 5974 16 -17.570000 -30.476000 -2.678000 177 " " S H 2 "SER " " OG " 8 0 2 0.5 25.54 5974 183 + 5975 43 -19.826000 -29.622000 0.777000 177 " " S H 2 "SER " " H " 1 0 2 1 19.8 5975 183 + 5976 41 -17.593000 -31.308000 -0.212000 177 " " S H 2 "SER " " HA " 1 0 2 1 21.02 5976 183 + 5977 41 -19.034000 -29.247000 -1.934000 177 " " S H 2 "SER " " HB3" 1 0 2 1 22.86 5977 183 + 5978 41 -19.445000 -30.951000 -1.995000 177 " " S H 2 "SER " " HB2" 1 0 2 1 22.86 5978 183 + 5979 42 -16.867000 -29.845000 -2.505000 177 " " S H 2 "SER " " HG " 1 0 2 1 25.54 5979 183 + 5980 25 -16.067000 -29.272000 0.049000 178 " " L H 2 "LEU " " N " 7 0 2 1 21.22 5980 184 + 5981 3 -15.225000 -28.108000 0.238000 178 " " L H 2 "LEU " " CA " 6 0 2 1 21.12 5981 184 + 5982 2 -14.011000 -28.168000 -0.679000 178 " " L H 2 "LEU " " C " 6 0 2 1 21.6 5982 184 + 5983 15 -13.694000 -29.220000 -1.230000 178 " " L H 2 "LEU " " O " 8 0 2 1 20.86 5983 184 + 5984 3 -14.802000 -27.934000 1.708000 178 " " L H 2 "LEU " " CB " 6 0 2 1 21 5984 184 + 5985 3 -13.805000 -28.857000 2.430000 178 " " L H 2 "LEU " " CG " 6 0 2 1 21.42 5985 184 + 5986 3 -12.346000 -28.668000 1.961000 178 " " L H 2 "LEU " " CD1" 6 0 2 1 21.57 5986 184 + 5987 3 -13.892000 -28.634000 3.956000 178 " " L H 2 "LEU " " CD2" 6 0 2 1 24.59 5987 184 + 5988 43 -15.630000 -30.166000 -0.125000 178 " " L H 2 "LEU " " H " 1 0 2 1 21.22 5988 184 + 5989 41 -15.807000 -27.231000 -0.043000 178 " " L H 2 "LEU " " HA " 1 0 2 1 21.12 5989 184 + 5990 41 -15.701000 -27.850000 2.319000 178 " " L H 2 "LEU " " HB3" 1 0 2 1 21 5990 184 + 5991 41 -14.488000 -26.901000 1.858000 178 " " L H 2 "LEU " " HB2" 1 0 2 1 21 5991 184 + 5992 41 -14.093000 -29.888000 2.225000 178 " " L H 2 "LEU " " HG " 1 0 2 1 21.42 5992 184 + 5993 41 -11.696000 -29.349000 2.510000 178 " " L H 2 "LEU " "HD11" 1 0 2 1 21.57 5993 184 + 5994 41 -12.276000 -28.881000 0.894000 178 " " L H 2 "LEU " "HD12" 1 0 2 1 21.57 5994 184 + 5995 41 -12.034000 -27.640000 2.147000 178 " " L H 2 "LEU " "HD13" 1 0 2 1 21.57 5995 184 + 5996 41 -13.183000 -29.291000 4.461000 178 " " L H 2 "LEU " "HD21" 1 0 2 1 24.59 5996 184 + 5997 41 -13.652000 -27.596000 4.186000 178 " " L H 2 "LEU " "HD22" 1 0 2 1 24.59 5997 184 + 5998 41 -14.902000 -28.858000 4.299000 178 " " L H 2 "LEU " "HD23" 1 0 2 1 24.59 5998 184 + 5999 25 -13.361000 -27.020000 -0.852000 179 " " S H 2 "SER " " N " 7 0 2 1 23.38 5999 185 + 6000 3 -12.076000 -26.972000 -1.514000 179 " " S H 2 "SER " " CA " 6 0 2 1 23.88 6000 185 + 6001 2 -11.044000 -26.336000 -0.605000 179 " " S H 2 "SER " " C " 6 0 2 1 21.03 6001 185 + 6002 15 -11.371000 -25.536000 0.282000 179 " " S H 2 "SER " " O " 8 0 2 1 21.93 6002 185 + 6003 3 -12.173000 -26.227000 -2.846000 179 " " S H 2 "SER " " CB " 6 0 2 1 31.33 6003 185 + 6004 16 -12.709000 -24.938000 -2.655000 179 " " S H 2 "SER " " OG " 8 0 2 1 39.01 6004 185 + 6005 43 -13.764000 -26.156000 -0.518000 179 " " S H 2 "SER " " H " 1 0 2 1 23.38 6005 185 + 6006 41 -11.762000 -27.995000 -1.720000 179 " " S H 2 "SER " " HA " 1 0 2 1 23.88 6006 185 + 6007 41 -12.810000 -26.788000 -3.530000 179 " " S H 2 "SER " " HB3" 1 0 2 1 31.33 6007 185 + 6008 41 -11.181000 -26.145000 -3.289000 179 " " S H 2 "SER " " HB2" 1 0 2 1 31.33 6008 185 + 6009 42 -12.763000 -24.485000 -3.500000 179 " " S H 2 "SER " " HG " 1 0 2 1 39.01 6009 185 + 6010 25 -9.791000 -26.740000 -0.798000 180 " " S H 2 "SER " " N " 7 0 2 1 20.8 6010 186 + 6011 3 -8.678000 -26.119000 -0.106000 180 " " S H 2 "SER " " CA " 6 0 2 1 18.99 6011 186 + 6012 2 -7.656000 -25.764000 -1.166000 180 " " S H 2 "SER " " C " 6 0 2 1 18.66 6012 186 + 6013 15 -7.268000 -26.616000 -1.978000 180 " " S H 2 "SER " " O " 8 0 2 1 21.82 6013 186 + 6014 3 -8.070000 -27.083000 0.921000 180 " " S H 2 "SER " " CB " 6 0 2 1 19.9 6014 186 + 6015 16 -7.001000 -26.458000 1.603000 180 " " S H 2 "SER " " OG " 8 0 2 1 19.84 6015 186 + 6016 43 -9.597000 -27.496000 -1.439000 180 " " S H 2 "SER " " H " 1 0 2 1 20.8 6016 186 + 6017 41 -9.017000 -25.213000 0.396000 180 " " S H 2 "SER " " HA " 1 0 2 1 18.99 6017 186 + 6018 41 -7.704000 -27.974000 0.410000 180 " " S H 2 "SER " " HB3" 1 0 2 1 19.9 6018 186 + 6019 41 -8.835000 -27.379000 1.639000 180 " " S H 2 "SER " " HB2" 1 0 2 1 19.9 6019 186 + 6020 42 -7.324000 -25.677000 2.058000 180 " " S H 2 "SER " " HG " 1 0 2 1 19.84 6020 186 + 6021 25 -7.239000 -24.503000 -1.190000 181 " " V H 2 "VAL " " N " 7 0 2 1 21.09 6021 187 + 6022 3 -6.327000 -24.046000 -2.251000 181 " " V H 2 "VAL " " CA " 6 0 2 1 22.25 6022 187 + 6023 2 -5.106000 -23.393000 -1.646000 181 " " V H 2 "VAL " " C " 6 0 2 1 19.85 6023 187 + 6024 15 -5.111000 -23.071000 -0.485000 181 " " V H 2 "VAL " " O " 8 0 2 1 22.08 6024 187 + 6025 3 -7.002000 -23.064000 -3.260000 181 " " V H 2 "VAL " " CB " 6 0 2 1 24.2 6025 187 + 6026 3 -8.204000 -23.743000 -3.953000 181 " " V H 2 "VAL " " CG1" 6 0 2 1 27.07 6026 187 + 6027 3 -7.374000 -21.720000 -2.565000 181 " " V H 2 "VAL " " CG2" 6 0 2 1 21.03 6027 187 + 6028 43 -7.548000 -23.855000 -0.479000 181 " " V H 2 "VAL " " H " 1 0 2 1 21.09 6028 187 + 6029 41 -5.996000 -24.923000 -2.808000 181 " " V H 2 "VAL " " HA " 1 0 2 1 22.25 6029 187 + 6030 41 -6.268000 -22.837000 -4.033000 181 " " V H 2 "VAL " " HB " 1 0 2 1 24.2 6030 187 + 6031 41 -8.663000 -23.044000 -4.653000 181 " " V H 2 "VAL " "HG11" 1 0 2 1 27.07 6031 187 + 6032 41 -7.862000 -24.626000 -4.493000 181 " " V H 2 "VAL " "HG12" 1 0 2 1 27.07 6032 187 + 6033 41 -8.937000 -24.039000 -3.203000 181 " " V H 2 "VAL " "HG13" 1 0 2 1 27.07 6033 187 + 6034 41 -7.843000 -21.053000 -3.289000 181 " " V H 2 "VAL " "HG21" 1 0 2 1 21.03 6034 187 + 6035 41 -8.068000 -21.913000 -1.747000 181 " " V H 2 "VAL " "HG22" 1 0 2 1 21.03 6035 187 + 6036 41 -6.472000 -21.252000 -2.172000 181 " " V H 2 "VAL " "HG23" 1 0 2 1 21.03 6036 187 + 6037 25 -4.062000 -23.226000 -2.454000 182 " " V H 2 "VAL " " N " 7 0 2 1 20.36 6037 188 + 6038 3 -2.851000 -22.535000 -2.027000 182 " " V H 2 "VAL " " CA " 6 0 2 1 22.28 6038 188 + 6039 2 -2.266000 -21.853000 -3.244000 182 " " V H 2 "VAL " " C " 6 0 2 1 21 6039 188 + 6040 15 -2.357000 -22.379000 -4.355000 182 " " V H 2 "VAL " " O " 8 0 2 1 23.91 6040 188 + 6041 3 -1.823000 -23.493000 -1.355000 182 " " V H 2 "VAL " " CB " 6 0 2 1 22.15 6041 188 + 6042 3 -1.301000 -24.534000 -2.314000 182 " " V H 2 "VAL " " CG1" 6 0 2 1 23.46 6042 188 + 6043 3 -0.663000 -22.716000 -0.750000 182 " " V H 2 "VAL " " CG2" 6 0 2 1 24.17 6043 188 + 6044 43 -4.092000 -23.583000 -3.398000 182 " " V H 2 "VAL " " H " 1 0 2 1 20.36 6044 188 + 6045 41 -3.130000 -21.768000 -1.304000 182 " " V H 2 "VAL " " HA " 1 0 2 1 22.28 6045 188 + 6046 41 -2.334000 -24.013000 -0.545000 182 " " V H 2 "VAL " " HB " 1 0 2 1 22.15 6046 188 + 6047 41 -0.588000 -25.178000 -1.799000 182 " " V H 2 "VAL " "HG11" 1 0 2 1 23.46 6047 188 + 6048 41 -2.131000 -25.136000 -2.685000 182 " " V H 2 "VAL " "HG12" 1 0 2 1 23.46 6048 188 + 6049 41 -0.807000 -24.042000 -3.152000 182 " " V H 2 "VAL " "HG13" 1 0 2 1 23.46 6049 188 + 6050 41 0.039000 -23.411000 -0.288000 182 " " V H 2 "VAL " "HG21" 1 0 2 1 24.17 6050 188 + 6051 41 -0.154000 -22.153000 -1.533000 182 " " V H 2 "VAL " "HG22" 1 0 2 1 24.17 6051 188 + 6052 41 -1.041000 -22.027000 0.005000 182 " " V H 2 "VAL " "HG23" 1 0 2 1 24.17 6052 188 + 6053 25 -1.686000 -20.678000 -3.041000 183 " " T H 2 "THR " " N " 7 0 2 1 21.84 6053 189 + 6054 3 -0.935000 -20.025000 -4.113000 183 " " T H 2 "THR " " CA " 6 0 2 1 20.45 6054 189 + 6055 2 0.543000 -20.166000 -3.805000 183 " " T H 2 "THR " " C " 6 0 2 1 21.02 6055 189 + 6056 15 0.969000 -19.996000 -2.649000 183 " " T H 2 "THR " " O " 8 0 2 1 18.6 6056 189 + 6057 3 -1.329000 -18.550000 -4.308000 183 " " T H 2 "THR " " CB " 6 0 2 1 24.16 6057 189 + 6058 16 -1.194000 -17.854000 -3.068000 183 " " T H 2 "THR " " OG1" 8 0 2 1 32.35 6058 189 + 6059 3 -2.782000 -18.447000 -4.770000 183 " " T H 2 "THR " " CG2" 6 0 2 1 20.72 6059 189 + 6060 43 -1.761000 -20.227000 -2.141000 183 " " T H 2 "THR " " H " 1 0 2 1 21.84 6060 189 + 6061 41 -1.140000 -20.556000 -5.043000 183 " " T H 2 "THR " " HA " 1 0 2 1 20.45 6061 189 + 6062 41 -0.677000 -18.095000 -5.054000 183 " " T H 2 "THR " " HB " 1 0 2 1 24.16 6062 189 + 6063 42 -0.283000 -17.905000 -2.769000 183 " " T H 2 "THR " " HG1" 1 0 2 1 32.35 6063 189 + 6064 41 -3.048000 -17.398000 -4.904000 183 " " T H 2 "THR " "HG21" 1 0 2 1 20.72 6064 189 + 6065 41 -2.901000 -18.975000 -5.716000 183 " " T H 2 "THR " "HG22" 1 0 2 1 20.72 6065 189 + 6066 41 -3.435000 -18.894000 -4.020000 183 " " T H 2 "THR " "HG23" 1 0 2 1 20.72 6066 189 + 6067 25 1.320000 -20.488000 -4.836000 184 " " V H 2 "VAL " " N " 7 0 2 1 18.68 6067 190 + 6068 3 2.743000 -20.791000 -4.688000 184 " " V H 2 "VAL " " CA " 6 0 2 1 19.47 6068 190 + 6069 2 3.534000 -20.146000 -5.852000 184 " " V H 2 "VAL " " C " 6 0 2 1 17.38 6069 190 + 6070 15 2.932000 -19.701000 -6.833000 184 " " V H 2 "VAL " " O " 8 0 2 1 20.16 6070 190 + 6071 3 2.972000 -22.341000 -4.663000 184 " " V H 2 "VAL " " CB " 6 0 2 1 19.47 6071 190 + 6072 3 2.210000 -23.011000 -3.495000 184 " " V H 2 "VAL " " CG1" 6 0 2 1 22.28 6072 190 + 6073 3 2.563000 -22.989000 -6.022000 184 " " V H 2 "VAL " " CG2" 6 0 2 1 17.29 6073 190 + 6074 43 0.931000 -20.531000 -5.767000 184 " " V H 2 "VAL " " H " 1 0 2 1 18.68 6074 190 + 6075 41 3.096000 -20.369000 -3.747000 184 " " V H 2 "VAL " " HA " 1 0 2 1 19.47 6075 190 + 6076 41 4.037000 -22.520000 -4.514000 184 " " V H 2 "VAL " " HB " 1 0 2 1 19.47 6076 190 + 6077 41 2.393000 -24.085000 -3.510000 184 " " V H 2 "VAL " "HG11" 1 0 2 1 22.28 6077 190 + 6078 41 2.558000 -22.597000 -2.549000 184 " " V H 2 "VAL " "HG12" 1 0 2 1 22.28 6078 190 + 6079 41 1.142000 -22.823000 -3.602000 184 " " V H 2 "VAL " "HG13" 1 0 2 1 22.28 6079 190 + 6080 41 2.732000 -24.065000 -5.978000 184 " " V H 2 "VAL " "HG21" 1 0 2 1 17.29 6080 190 + 6081 41 1.508000 -22.795000 -6.215000 184 " " V H 2 "VAL " "HG22" 1 0 2 1 17.29 6081 190 + 6082 41 3.163000 -22.560000 -6.825000 184 " " V H 2 "VAL " "HG23" 1 0 2 1 17.29 6082 190 + 6083 25 4.875000 -20.092000 -5.754000 185 " " P H 2 "PRO " " N " 7 0 0 1 18.83 6083 191 + 6084 3 5.633000 -19.576000 -6.893000 185 " " P H 2 "PRO " " CA " 6 0 0 1 18.6 6084 191 + 6085 2 5.424000 -20.473000 -8.115000 185 " " P H 2 "PRO " " C " 6 0 0 1 20.6 6085 191 + 6086 15 5.461000 -21.701000 -7.991000 185 " " P H 2 "PRO " " O " 8 0 0 1 17.89 6086 191 + 6087 3 7.090000 -19.674000 -6.419000 185 " " P H 2 "PRO " " CB " 6 0 0 1 16.94 6087 191 + 6088 3 6.963000 -19.666000 -4.892000 185 " " P H 2 "PRO " " CG " 6 0 0 1 17.74 6088 191 + 6089 3 5.757000 -20.452000 -4.626000 185 " " P H 2 "PRO " " CD " 6 0 0 1 17.28 6089 191 + 6090 41 5.360000 -18.544000 -7.112000 185 " " P H 2 "PRO " " HA " 1 0 0 1 18.6 6090 191 + 6091 41 7.633000 -18.785000 -6.740000 185 " " P H 2 "PRO " " HB3" 1 0 0 1 16.94 6091 191 + 6092 41 7.509000 -20.627000 -6.740000 185 " " P H 2 "PRO " " HB2" 1 0 0 1 16.94 6092 191 + 6093 41 6.810000 -18.643000 -4.548000 185 " " P H 2 "PRO " " HG3" 1 0 0 1 17.74 6093 191 + 6094 41 7.826000 -20.170000 -4.456000 185 " " P H 2 "PRO " " HG2" 1 0 0 1 17.74 6094 191 + 6095 41 6.000000 -21.513000 -4.684000 185 " " P H 2 "PRO " " HD2" 1 0 0 1 17.28 6095 191 + 6096 41 5.305000 -20.113000 -3.694000 185 " " P H 2 "PRO " " HD3" 1 0 0 1 17.28 6096 191 + 6097 25 5.206000 -19.869000 -9.284000 186 " " S H 2 "SER " " N " 7 0 0 1 21.01 6097 192 + 6098 3 5.201000 -20.663000 -10.523000 186 " " S H 2 "SER " " CA " 6 0 0 1 19.52 6098 192 + 6099 2 6.578000 -21.262000 -10.836000 186 " " S H 2 "SER " " C " 6 0 0 1 17.97 6099 192 + 6100 15 6.665000 -22.313000 -11.482000 186 " " S H 2 "SER " " O " 8 0 0 1 19.62 6100 192 + 6101 3 4.678000 -19.830000 -11.709000 186 " " S H 2 "SER " " CB " 6 0 0 1 19.2 6101 192 + 6102 16 5.573000 -18.798000 -12.004000 186 " " S H 2 "SER " " OG " 8 0 0 1 24.17 6102 192 + 6103 43 5.046000 -18.872000 -9.315000 186 " " S H 2 "SER " " H " 1 0 0 1 21.01 6103 192 + 6104 41 4.509000 -21.493000 -10.376000 186 " " S H 2 "SER " " HA " 1 0 0 1 19.52 6104 192 + 6105 41 3.706000 -19.406000 -11.455000 186 " " S H 2 "SER " " HB3" 1 0 0 1 19.2 6105 192 + 6106 41 4.564000 -20.473000 -12.582000 186 " " S H 2 "SER " " HB2" 1 0 0 1 19.2 6106 192 + 6107 42 5.437000 -18.071000 -11.392000 186 " " S H 2 "SER " " HG " 1 0 0 1 24.17 6107 192 + 6108 25 7.652000 -20.613000 -10.367000 187 " " S H 2 "SER " " N " 7 0 0 1 15.44 6108 193 + 6109 3 9.008000 -20.985000 -10.752000 187 " " S H 2 "SER " " CA " 6 0 0 1 16.9 6109 193 + 6110 2 9.454000 -22.329000 -10.208000 187 " " S H 2 "SER " " C " 6 0 0 1 20.16 6110 193 + 6111 15 10.351000 -22.950000 -10.766000 187 " " S H 2 "SER " " O " 8 0 0 1 20.25 6111 193 + 6112 3 10.027000 -19.940000 -10.287000 187 " " S H 2 "SER " " CB " 6 0 0 1 17.59 6112 193 + 6113 16 10.055000 -19.870000 -8.863000 187 " " S H 2 "SER " " OG " 8 0 0 1 20.51 6113 193 + 6114 43 7.536000 -19.841000 -9.727000 187 " " S H 2 "SER " " H " 1 0 0 1 15.44 6114 193 + 6115 41 9.048000 -21.033000 -11.840000 187 " " S H 2 "SER " " HA " 1 0 0 1 16.9 6115 193 + 6116 41 9.758000 -18.965000 -10.693000 187 " " S H 2 "SER " " HB3" 1 0 0 1 17.59 6116 193 + 6117 41 11.017000 -20.208000 -10.657000 187 " " S H 2 "SER " " HB2" 1 0 0 1 17.59 6117 193 + 6118 42 10.958000 -19.738000 -8.566000 187 " " S H 2 "SER " " HG " 1 0 0 1 20.51 6118 193 + 6119 25 8.859000 -22.749000 -9.104000 188 " " S H 2 "SER " " N " 7 0 0 1 21.1 6119 194 + 6120 3 9.331000 -23.943000 -8.391000 188 " " S H 2 "SER " " CA " 6 0 0 1 21.94 6120 194 + 6121 2 8.369000 -25.130000 -8.497000 188 " " S H 2 "SER " " C " 6 0 0 1 21.25 6121 194 + 6122 15 8.458000 -26.079000 -7.714000 188 " " S H 2 "SER " " O " 8 0 0 1 19.18 6122 194 + 6123 3 9.588000 -23.593000 -6.922000 188 " " S H 2 "SER " " CB " 6 0 0 1 17.05 6123 194 + 6124 16 8.403000 -23.105000 -6.334000 188 " " S H 2 "SER " " OG " 8 0 0 1 21.93 6124 194 + 6125 43 8.064000 -22.246000 -8.736000 188 " " S H 2 "SER " " H " 1 0 0 1 21.1 6125 194 + 6126 41 10.281000 -24.243000 -8.834000 188 " " S H 2 "SER " " HA " 1 0 0 1 21.94 6126 194 + 6127 41 10.364000 -22.830000 -6.861000 188 " " S H 2 "SER " " HB3" 1 0 0 1 17.05 6127 194 + 6128 41 9.917000 -24.485000 -6.389000 188 " " S H 2 "SER " " HB2" 1 0 0 1 17.05 6128 194 + 6129 42 7.719000 -23.777000 -6.385000 188 " " S H 2 "SER " " HG " 1 0 0 1 21.93 6129 194 + 6130 25 7.449000 -25.082000 -9.462000 189 " " L H 2 "LEU " " N " 7 0 0 1 20.94 6130 195 + 6131 3 6.494000 -26.174000 -9.654000 189 " " L H 2 "LEU " " CA " 6 0 0 1 18.29 6131 195 + 6132 2 7.209000 -27.482000 -9.992000 189 " " L H 2 "LEU " " C " 6 0 0 1 16.91 6132 195 + 6133 15 6.677000 -28.561000 -9.742000 189 " " L H 2 "LEU " " O " 8 0 0 1 21.6 6133 195 + 6134 3 5.451000 -25.841000 -10.734000 189 " " L H 2 "LEU " " CB " 6 0 0 1 18.8 6134 195 + 6135 3 4.403000 -24.808000 -10.292000 189 " " L H 2 "LEU " " CG " 6 0 0 1 18.04 6135 195 + 6136 3 3.506000 -24.398000 -11.476000 189 " " L H 2 "LEU " " CD1" 6 0 0 1 23.03 6136 195 + 6137 3 3.573000 -25.283000 -9.080000 189 " " L H 2 "LEU " " CD2" 6 0 0 1 19.22 6137 195 + 6138 43 7.403000 -24.282000 -10.076000 189 " " L H 2 "LEU " " H " 1 0 0 1 20.94 6138 195 + 6139 41 5.963000 -26.320000 -8.713000 189 " " L H 2 "LEU " " HA " 1 0 0 1 18.29 6139 195 + 6140 41 4.947000 -26.756000 -11.045000 189 " " L H 2 "LEU " " HB3" 1 0 0 1 18.8 6140 195 + 6141 41 5.959000 -25.480000 -11.628000 189 " " L H 2 "LEU " " HB2" 1 0 0 1 18.8 6141 195 + 6142 41 4.946000 -23.916000 -9.978000 189 " " L H 2 "LEU " " HG " 1 0 0 1 18.04 6142 195 + 6143 41 2.772000 -23.666000 -11.140000 189 " " L H 2 "LEU " "HD11" 1 0 0 1 23.03 6143 195 + 6144 41 4.120000 -23.961000 -12.263000 189 " " L H 2 "LEU " "HD12" 1 0 0 1 23.03 6144 195 + 6145 41 2.991000 -25.277000 -11.864000 189 " " L H 2 "LEU " "HD13" 1 0 0 1 23.03 6145 195 + 6146 41 2.849000 -24.514000 -8.811000 189 " " L H 2 "LEU " "HD21" 1 0 0 1 19.22 6146 195 + 6147 41 3.047000 -26.203000 -9.337000 189 " " L H 2 "LEU " "HD22" 1 0 0 1 19.22 6147 195 + 6148 41 4.236000 -25.468000 -8.235000 189 " " L H 2 "LEU " "HD23" 1 0 0 1 19.22 6148 195 + 6149 25 8.414000 -27.365000 -10.543000 190 " " G H 2 "GLY " " N " 7 0 0 1 20.45 6149 196 + 6150 3 9.225000 -28.520000 -10.900000 190 " " G H 2 "GLY " " CA " 6 0 0 1 18.77 6150 196 + 6151 2 10.021000 -29.115000 -9.749000 190 " " G H 2 "GLY " " C " 6 0 0 1 26.06 6151 196 + 6152 15 10.514000 -30.245000 -9.864000 190 " " G H 2 "GLY " " O " 8 0 0 1 24.39 6152 196 + 6153 43 8.798000 -26.449000 -10.728000 190 " " G H 2 "GLY " " H " 1 0 0 1 20.45 6153 196 + 6154 41 9.906000 -28.248000 -11.707000 190 " " G H 2 "GLY " " HA3" 1 0 0 1 18.77 6154 196 + 6155 41 8.586000 -29.290000 -11.333000 190 " " G H 2 "GLY " " HA2" 1 0 0 1 18.77 6155 196 + 6156 25 10.161000 -28.376000 -8.641000 191 " " T H 2 "THR " " N " 7 0 0 1 18.47 6156 197 + 6157 3 11.033000 -28.839000 -7.548000 191 " " T H 2 "THR " " CA " 6 0 0 1 19.21 6157 197 + 6158 2 10.302000 -29.118000 -6.242000 191 " " T H 2 "THR " " C " 6 0 0 1 19.55 6158 197 + 6159 15 10.790000 -29.908000 -5.427000 191 " " T H 2 "THR " " O " 8 0 0 1 17.4 6159 197 + 6160 3 12.223000 -27.866000 -7.266000 191 " " T H 2 "THR " " CB " 6 0 0 1 17.82 6160 197 + 6161 16 11.712000 -26.553000 -7.019000 191 " " T H 2 "THR " " OG1" 8 0 0 1 17.61 6161 197 + 6162 3 13.210000 -27.846000 -8.427000 191 " " T H 2 "THR " " CG2" 6 0 0 1 19.62 6162 197 + 6163 43 9.668000 -27.499000 -8.553000 191 " " T H 2 "THR " " H " 1 0 0 1 18.47 6163 197 + 6164 41 11.469000 -29.784000 -7.872000 191 " " T H 2 "THR " " HA " 1 0 0 1 19.21 6164 197 + 6165 41 12.746000 -28.208000 -6.373000 191 " " T H 2 "THR " " HB " 1 0 0 1 17.82 6165 197 + 6166 42 11.687000 -26.059000 -7.842000 191 " " T H 2 "THR " " HG1" 1 0 0 1 17.61 6166 197 + 6167 41 14.026000 -27.160000 -8.199000 191 " " T H 2 "THR " "HG21" 1 0 0 1 19.62 6167 197 + 6168 41 13.611000 -28.848000 -8.581000 191 " " T H 2 "THR " "HG22" 1 0 0 1 19.62 6168 197 + 6169 41 12.700000 -27.516000 -9.332000 191 " " T H 2 "THR " "HG23" 1 0 0 1 19.62 6169 197 + 6170 25 9.159000 -28.457000 -6.030000 192 " " Q H 2 "GLN " " N " 7 0 0 1 13.85 6170 198 + 6171 3 8.443000 -28.576000 -4.774000 192 " " Q H 2 "GLN " " CA " 6 0 0 1 14.87 6171 198 + 6172 2 7.345000 -29.608000 -4.929000 192 " " Q H 2 "GLN " " C " 6 0 0 1 19.69 6172 198 + 6173 15 6.807000 -29.805000 -6.022000 192 " " Q H 2 "GLN " " O " 8 0 0 1 20.81 6173 198 + 6174 3 7.829000 -27.230000 -4.346000 192 " " Q H 2 "GLN " " CB " 6 0 0 1 16.36 6174 198 + 6175 3 8.853000 -26.051000 -4.294000 192 " " Q H 2 "GLN " " CG " 6 0 0 1 12.87 6175 198 + 6176 2 10.142000 -26.413000 -3.548000 192 " " Q H 2 "GLN " " CD " 6 0 0 1 14.91 6176 198 + 6177 15 10.018000 -26.595000 -2.239000 192 " " Q H 2 "GLN " " OE1" 8 0 0 1 18.98 6177 198 + 6178 25 11.231000 -26.522000 -4.142000 192 " " Q H 2 "GLN " " NE2" 7 0 0 1 12.45 6178 198 + 6179 43 8.779000 -27.861000 -6.752000 192 " " Q H 2 "GLN " " H " 1 0 0 1 13.85 6179 198 + 6180 41 9.136000 -28.910000 -4.002000 192 " " Q H 2 "GLN " " HA " 1 0 0 1 14.87 6180 198 + 6181 41 7.357000 -27.342000 -3.370000 192 " " Q H 2 "GLN " " HB3" 1 0 0 1 16.36 6181 198 + 6182 41 7.015000 -26.972000 -5.024000 192 " " Q H 2 "GLN " " HB2" 1 0 0 1 16.36 6182 198 + 6183 41 8.388000 -25.188000 -3.816000 192 " " Q H 2 "GLN " " HG3" 1 0 0 1 12.87 6183 198 + 6184 41 9.098000 -25.739000 -5.309000 192 " " Q H 2 "GLN " " HG2" 1 0 0 1 12.87 6184 198 + 6185 43 12.066000 -26.762000 -3.626000 192 " " Q H 2 "GLN " "HE22" 1 0 0 1 12.45 6185 198 + 6186 43 11.280000 -26.371000 -5.139000 192 " " Q H 2 "GLN " "HE21" 1 0 0 1 12.45 6186 198 + 6187 25 7.007000 -30.246000 -3.821000 193 " " T H 2 "THR " " N " 7 0 0 1 18.65 6187 199 + 6188 3 5.930000 -31.232000 -3.797000 193 " " T H 2 "THR " " CA " 6 0 0 1 21.9 6188 199 + 6189 2 4.785000 -30.697000 -2.961000 193 " " T H 2 "THR " " C " 6 0 0 1 22.36 6189 199 + 6190 15 5.008000 -30.184000 -1.856000 193 " " T H 2 "THR " " O " 8 0 0 1 22.52 6190 199 + 6191 3 6.454000 -32.582000 -3.246000 193 " " T H 2 "THR " " CB " 6 0 0 1 22.83 6191 199 + 6192 16 7.410000 -33.128000 -4.165000 193 " " T H 2 "THR " " OG1" 8 0 0 1 23.15 6192 199 + 6193 3 5.318000 -33.574000 -3.051000 193 " " T H 2 "THR " " CG2" 6 0 0 1 24.71 6193 199 + 6194 43 7.499000 -30.057000 -2.959000 193 " " T H 2 "THR " " H " 1 0 0 1 18.65 6194 199 + 6195 41 5.575000 -31.386000 -4.816000 193 " " T H 2 "THR " " HA " 1 0 0 1 21.9 6195 199 + 6196 41 6.942000 -32.409000 -2.287000 193 " " T H 2 "THR " " HB " 1 0 0 1 22.83 6196 199 + 6197 42 8.143000 -32.516000 -4.267000 193 " " T H 2 "THR " " HG1" 1 0 0 1 23.15 6197 199 + 6198 41 5.716000 -34.512000 -2.664000 193 " " T H 2 "THR " "HG21" 1 0 0 1 24.71 6198 199 + 6199 41 4.596000 -33.166000 -2.343000 193 " " T H 2 "THR " "HG22" 1 0 0 1 24.71 6199 199 + 6200 41 4.826000 -33.756000 -4.006000 193 " " T H 2 "THR " "HG23" 1 0 0 1 24.71 6200 199 + 6201 25 3.559000 -30.801000 -3.491000 194 " " Y H 2 "TYR " " N " 7 0 0 1 21.25 6201 200 + 6202 3 2.372000 -30.315000 -2.786000 194 " " Y H 2 "TYR " " CA " 6 0 0 1 20.44 6202 200 + 6203 2 1.363000 -31.432000 -2.588000 194 " " Y H 2 "TYR " " C " 6 0 0 1 21.78 6203 200 + 6204 15 0.872000 -32.017000 -3.542000 194 " " Y H 2 "TYR " " O " 8 0 0 1 21.92 6204 200 + 6205 3 1.740000 -29.138000 -3.537000 194 " " Y H 2 "TYR " " CB " 6 0 0 1 19.62 6205 200 + 6206 2 2.702000 -27.989000 -3.697000 194 " " Y H 2 "TYR " " CG " 6 0 0 1 18.66 6206 200 + 6207 2 3.083000 -27.226000 -2.585000 194 " " Y H 2 "TYR " " CD1" 6 0 0 1 16.66 6207 200 + 6208 2 3.244000 -27.666000 -4.940000 194 " " Y H 2 "TYR " " CD2" 6 0 0 1 17.04 6208 200 + 6209 2 3.989000 -26.187000 -2.711000 194 " " Y H 2 "TYR " " CE1" 6 0 0 1 18 6209 200 + 6210 2 4.152000 -26.581000 -5.086000 194 " " Y H 2 "TYR " " CE2" 6 0 0 1 16.74 6210 200 + 6211 2 4.515000 -25.861000 -3.969000 194 " " Y H 2 "TYR " " CZ " 6 0 0 1 17.39 6211 200 + 6212 16 5.389000 -24.806000 -4.067000 194 " " Y H 2 "TYR " " OH " 8 0 0 1 16.4 6212 200 + 6213 43 3.436000 -31.224000 -4.400000 194 " " Y H 2 "TYR " " H " 1 0 0 1 21.25 6213 200 + 6214 41 2.683000 -29.962000 -1.803000 194 " " Y H 2 "TYR " " HA " 1 0 0 1 20.44 6214 200 + 6215 41 0.855000 -28.798000 -2.999000 194 " " Y H 2 "TYR " " HB3" 1 0 0 1 19.62 6215 200 + 6216 41 1.407000 -29.472000 -4.520000 194 " " Y H 2 "TYR " " HB2" 1 0 0 1 19.62 6216 200 + 6217 41 2.669000 -27.445000 -1.612000 194 " " Y H 2 "TYR " " HD1" 1 0 0 1 16.66 6217 200 + 6218 41 2.976000 -28.243000 -5.812000 194 " " Y H 2 "TYR " " HD2" 1 0 0 1 17.04 6218 200 + 6219 41 4.292000 -25.626000 -1.839000 194 " " Y H 2 "TYR " " HE1" 1 0 0 1 18 6219 200 + 6220 41 4.545000 -26.333000 -6.061000 194 " " Y H 2 "TYR " " HE2" 1 0 0 1 16.74 6220 200 + 6221 42 5.879000 -24.718000 -3.246000 194 " " Y H 2 "TYR " " HH " 1 0 0 1 16.4 6221 200 + 6222 25 1.109000 -31.745000 -1.330000 195 " " I H 2 "ILE " " N " 7 0 2 1 19.39 6222 201 + 6223 3 0.248000 -32.857000 -0.957000 195 " " I H 2 "ILE " " CA " 6 0 2 1 21.39 6223 201 + 6224 2 -0.791000 -32.346000 0.038000 195 " " I H 2 "ILE " " C " 6 0 2 1 19.56 6224 201 + 6225 15 -0.450000 -31.758000 1.088000 195 " " I H 2 "ILE " " O " 8 0 2 1 20.69 6225 201 + 6226 3 1.057000 -34.043000 -0.327000 195 " " I H 2 "ILE " " CB " 6 0 2 1 17.67 6226 201 + 6227 3 2.081000 -34.621000 -1.319000 195 " " I H 2 "ILE " " CG1" 6 0 2 1 18.83 6227 201 + 6228 3 0.096000 -35.124000 0.211000 195 " " I H 2 "ILE " " CG2" 6 0 2 1 16.22 6228 201 + 6229 3 3.201000 -35.413000 -0.656000 195 " " I H 2 "ILE " " CD1" 6 0 2 1 22.53 6229 201 + 6230 43 1.519000 -31.204000 -0.582000 195 " " I H 2 "ILE " " H " 1 0 2 1 19.39 6230 201 + 6231 41 -0.266000 -33.217000 -1.848000 195 " " I H 2 "ILE " " HA " 1 0 2 1 21.39 6231 201 + 6232 41 1.612000 -33.646000 0.523000 195 " " I H 2 "ILE " " HB " 1 0 2 1 17.67 6232 201 + 6233 41 2.511000 -33.811000 -1.908000 195 " " I H 2 "ILE " "HG13" 1 0 2 1 18.83 6233 201 + 6234 41 1.567000 -35.256000 -2.040000 195 " " I H 2 "ILE " "HG12" 1 0 2 1 18.83 6234 201 + 6235 41 0.673000 -35.940000 0.645000 195 " " I H 2 "ILE " "HG21" 1 0 2 1 16.22 6235 201 + 6236 41 -0.549000 -34.690000 0.975000 195 " " I H 2 "ILE " "HG22" 1 0 2 1 16.22 6236 201 + 6237 41 -0.516000 -35.506000 -0.606000 195 " " I H 2 "ILE " "HG23" 1 0 2 1 16.22 6237 201 + 6238 41 3.883000 -35.788000 -1.419000 195 " " I H 2 "ILE " "HD11" 1 0 2 1 22.53 6238 201 + 6239 41 3.747000 -34.766000 0.031000 195 " " I H 2 "ILE " "HD12" 1 0 2 1 22.53 6239 201 + 6240 41 2.776000 -36.252000 -0.105000 195 " " I H 2 "ILE " "HD13" 1 0 2 1 22.53 6240 201 + 6241 25 -2.065000 -32.558000 -0.285000 196 " " C H 2 "CYS " " N " 7 0 2 1 19.9 6241 202 + 6242 3 -3.118000 -32.212000 0.652000 196 " " C H 2 "CYS " " CA " 6 0 2 1 19.79 6242 202 + 6243 2 -3.410000 -33.437000 1.497000 196 " " C H 2 "CYS " " C " 6 0 2 1 21.55 6243 202 + 6244 15 -3.564000 -34.547000 0.971000 196 " " C H 2 "CYS " " O " 8 0 2 1 23.95 6244 202 + 6245 3 -4.377000 -31.691000 -0.055000 196 " " C H 2 "CYS " " CB " 6 0 2 1 24.41 6245 202 + 6246 49 -5.227000 -32.918000 -1.071000 196 " " C H 2 "CYS " " SG " 16 0 2 1 25.26 6246 202 + 6247 43 -2.299000 -32.960000 -1.182000 196 " " C H 2 "CYS " " H " 1 0 2 1 19.9 6247 202 + 6248 41 -2.745000 -31.426000 1.309000 196 " " C H 2 "CYS " " HA " 1 0 2 1 19.79 6248 202 + 6249 41 -4.115000 -30.831000 -0.671000 196 " " C H 2 "CYS " " HB3" 1 0 2 1 24.41 6249 202 + 6250 41 -5.070000 -31.294000 0.687000 196 " " C H 2 "CYS " " HB2" 1 0 2 1 24.41 6250 202 + 6251 25 -3.466000 -33.231000 2.809000 197 " " N H 2 "ASN " " N " 7 0 2 1 19.94 6251 203 + 6252 3 -3.772000 -34.289000 3.769000 197 " " N H 2 "ASN " " CA " 6 0 2 1 18.88 6252 203 + 6253 2 -5.181000 -34.056000 4.259000 197 " " N H 2 "ASN " " C " 6 0 2 1 20.12 6253 203 + 6254 15 -5.456000 -33.056000 4.927000 197 " " N H 2 "ASN " " O " 8 0 2 1 21.18 6254 203 + 6255 3 -2.794000 -34.245000 4.953000 197 " " N H 2 "ASN " " CB " 6 0 2 1 20.22 6255 203 + 6256 2 -1.384000 -33.849000 4.538000 197 " " N H 2 "ASN " " CG " 6 0 2 1 21.82 6256 203 + 6257 15 -0.905000 -32.750000 4.867000 197 " " N H 2 "ASN " " OD1" 8 0 2 1 23.3 6257 203 + 6258 25 -0.717000 -34.730000 3.783000 197 " " N H 2 "ASN " " ND2" 7 0 2 1 22.45 6258 203 + 6259 43 -3.293000 -32.309000 3.183000 197 " " N H 2 "ASN " " H " 1 0 2 1 19.94 6259 203 + 6260 41 -3.710000 -35.260000 3.277000 197 " " N H 2 "ASN " " HA " 1 0 2 1 18.88 6260 203 + 6261 41 -2.768000 -35.221000 5.438000 197 " " N H 2 "ASN " " HB3" 1 0 2 1 20.22 6261 203 + 6262 41 -3.162000 -33.543000 5.701000 197 " " N H 2 "ASN " " HB2" 1 0 2 1 20.22 6262 203 + 6263 43 0.223000 -34.523000 3.477000 197 " " N H 2 "ASN " "HD22" 1 0 2 1 22.45 6263 203 + 6264 43 -1.153000 -35.602000 3.520000 197 " " N H 2 "ASN " "HD21" 1 0 2 1 22.45 6264 203 + 6265 25 -6.086000 -34.960000 3.886000 198 " " V H 2 "VAL " " N " 7 0 2 1 18.09 6265 204 + 6266 3 -7.502000 -34.804000 4.172000 198 " " V H 2 "VAL " " CA " 6 0 2 1 21.15 6266 204 + 6267 2 -7.942000 -35.813000 5.245000 198 " " V H 2 "VAL " " C " 6 0 2 1 23.81 6267 204 + 6268 15 -7.658000 -37.010000 5.108000 198 " " V H 2 "VAL " " O " 8 0 2 1 22.05 6268 204 + 6269 3 -8.351000 -34.974000 2.884000 198 " " V H 2 "VAL " " CB " 6 0 2 1 23.03 6269 204 + 6270 3 -9.862000 -34.809000 3.187000 198 " " V H 2 "VAL " " CG1" 6 0 2 1 23.85 6270 204 + 6271 3 -7.909000 -33.966000 1.806000 198 " " V H 2 "VAL " " CG2" 6 0 2 1 23.29 6271 204 + 6272 43 -5.796000 -35.788000 3.386000 198 " " V H 2 "VAL " " H " 1 0 2 1 18.09 6272 204 + 6273 41 -7.665000 -33.798000 4.560000 198 " " V H 2 "VAL " " HA " 1 0 2 1 21.15 6273 204 + 6274 41 -8.188000 -35.980000 2.498000 198 " " V H 2 "VAL " " HB " 1 0 2 1 23.03 6274 204 + 6275 41 -10.433000 -34.933000 2.267000 198 " " V H 2 "VAL " "HG11" 1 0 2 1 23.85 6275 204 + 6276 41 -10.172000 -35.562000 3.911000 198 " " V H 2 "VAL " "HG12" 1 0 2 1 23.85 6276 204 + 6277 41 -10.045000 -33.815000 3.596000 198 " " V H 2 "VAL " "HG13" 1 0 2 1 23.85 6277 204 + 6278 41 -8.516000 -34.101000 0.911000 198 " " V H 2 "VAL " "HG21" 1 0 2 1 23.29 6278 204 + 6279 41 -8.038000 -32.951000 2.182000 198 " " V H 2 "VAL " "HG22" 1 0 2 1 23.29 6279 204 + 6280 41 -6.860000 -34.132000 1.561000 198 " " V H 2 "VAL " "HG23" 1 0 2 1 23.29 6280 204 + 6281 25 -8.603000 -35.319000 6.303000 199 " " N H 2 "ASN " " N " 7 0 2 1 22.65 6281 205 + 6282 3 -9.127000 -36.169000 7.397000 199 " " N H 2 "ASN " " CA " 6 0 2 1 21.76 6282 205 + 6283 2 -10.626000 -36.007000 7.521000 199 " " N H 2 "ASN " " C " 6 0 2 1 22.48 6283 205 + 6284 15 -11.132000 -34.884000 7.563000 199 " " N H 2 "ASN " " O " 8 0 2 1 23.2 6284 205 + 6285 3 -8.514000 -35.788000 8.754000 199 " " N H 2 "ASN " " CB " 6 0 2 1 24.34 6285 205 + 6286 2 -7.093000 -36.309000 8.933000 199 " " N H 2 "ASN " " CG " 6 0 2 1 29.11 6286 205 + 6287 15 -6.712000 -36.599000 10.173000 199 " " N H 2 "ASN " " OD1" 8 0 2 1 30.33 6287 205 + 6288 25 -6.351000 -36.425000 7.976000 199 " " N H 2 "ASN " " ND2" 7 0 2 1 33.89 6288 205 + 6289 43 -8.763000 -34.325000 6.379000 199 " " N H 2 "ASN " " H " 1 0 2 1 22.65 6289 205 + 6290 41 -8.897000 -37.212000 7.181000 199 " " N H 2 "ASN " " HA " 1 0 2 1 21.76 6290 205 + 6291 41 -9.144000 -36.172000 9.556000 199 " " N H 2 "ASN " " HB3" 1 0 2 1 24.34 6291 205 + 6292 41 -8.518000 -34.703000 8.861000 199 " " N H 2 "ASN " " HB2" 1 0 2 1 24.34 6292 205 + 6293 43 -5.411000 -36.771000 8.105000 199 " " N H 2 "ASN " "HD22" 1 0 2 1 33.89 6293 205 + 6294 43 -6.675000 -36.175000 7.053000 199 " " N H 2 "ASN " "HD21" 1 0 2 1 33.89 6294 205 + 6295 25 -11.339000 -37.120000 7.582000 200 " " H H 2 "HIS " " N " 7 0 2 1 23.05 6295 206 + 6296 3 -12.752000 -37.083000 7.930000 200 " " H H 2 "HIS " " CA " 6 0 2 1 19.68 6296 206 + 6297 2 -12.949000 -38.156000 8.991000 200 " " H H 2 "HIS " " C " 6 0 2 1 23.93 6297 206 + 6298 15 -13.146000 -39.337000 8.682000 200 " " H H 2 "HIS " " O " 8 0 2 1 23.06 6298 206 + 6299 3 -13.643000 -37.295000 6.682000 200 " " H H 2 "HIS " " CB " 6 0 2 1 17.5 6299 206 + 6300 2 -15.118000 -37.282000 6.969000 200 " " H H 2 "HIS " " CG " 6 0 2 1 18.32 6300 206 + 6301 25 -16.035000 -38.278000 6.971000 200 " " H H 2 "HIS " " ND1" 7 0 2 1 20.14 6301 206 + 6302 2 -15.808000 -36.132000 7.301000 200 " " H H 2 "HIS " " CD2" 6 0 2 1 18.1 6302 206 + 6303 2 -17.245000 -37.720000 7.309000 200 " " H H 2 "HIS " " CE1" 6 0 2 1 16.63 6303 206 + 6304 25 -17.082000 -36.422000 7.500000 200 " " H H 2 "HIS " " NE2" 7 0 2 1 25.34 6304 206 + 6305 43 -10.904000 -38.010000 7.386000 200 " " H H 2 "HIS " " H " 1 0 2 1 23.05 6305 206 + 6306 41 -12.982000 -36.111000 8.366000 200 " " H H 2 "HIS " " HA " 1 0 2 1 19.68 6306 206 + 6307 41 -13.376000 -38.237000 6.204000 200 " " H H 2 "HIS " " HB3" 1 0 2 1 17.5 6307 206 + 6308 41 -13.413000 -36.531000 5.940000 200 " " H H 2 "HIS " " HB2" 1 0 2 1 17.5 6308 206 + 6309 41 -15.321000 -35.249000 7.357000 200 " " H H 2 "HIS " " HD2" 1 0 2 1 18.1 6309 206 + 6310 41 -18.069000 -38.301000 7.374000 200 " " H H 2 "HIS " " HE1" 1 0 2 1 16.63 6310 206 + 6311 43 -17.778000 -35.641000 7.770000 200 " " H H 2 "HIS " " HE2" 1 0 2 1 25.34 6311 206 + 6312 25 -12.869000 -37.741000 10.253000 201 " " K H 2 "LYS " " N " 7 0 0 1 20.08 6312 207 + 6313 3 -12.925000 -38.676000 11.373000 201 " " K H 2 "LYS " " CA " 6 0 0 1 23.23 6313 207 + 6314 2 -14.183000 -39.556000 11.445000 201 " " K H 2 "LYS " " C " 6 0 0 1 20.65 6314 207 + 6315 15 -14.063000 -40.760000 11.692000 201 " " K H 2 "LYS " " O " 8 0 0 1 20.17 6315 207 + 6316 3 -12.661000 -37.947000 12.708000 201 " " K H 2 "LYS " " CB " 6 0 0 1 24.97 6316 207 + 6317 3 -12.614000 -38.858000 13.927000 201 " " K H 2 "LYS " " CG " 6 0 0 1 30.13 6317 207 + 6318 3 -11.455000 -39.859000 13.847000 201 " " K H 2 "LYS " " CD " 6 0 0 1 35.19 6318 207 + 6319 3 -11.512000 -40.852000 14.998000 201 " " K H 2 "LYS " " CE " 6 0 0 1 41.45 6319 207 + 6320 32 -11.279000 -40.171000 16.293000 201 " " K H 2 "LYS " " NZ " 7 1 0 1 43.44 6320 207 + 6321 43 -12.767000 -36.757000 10.455000 201 " " K H 2 "LYS " " H " 1 0 0 1 20.08 6321 207 + 6322 41 -12.088000 -39.360000 11.234000 201 " " K H 2 "LYS " " HA " 1 0 0 1 23.23 6322 207 + 6323 41 -13.423000 -37.182000 12.858000 201 " " K H 2 "LYS " " HB3" 1 0 0 1 24.97 6323 207 + 6324 41 -11.726000 -37.391000 12.637000 201 " " K H 2 "LYS " " HB2" 1 0 0 1 24.97 6324 207 + 6325 41 -13.556000 -39.400000 14.011000 201 " " K H 2 "LYS " " HG3" 1 0 0 1 30.13 6325 207 + 6326 41 -12.509000 -38.253000 14.828000 201 " " K H 2 "LYS " " HG2" 1 0 0 1 30.13 6326 207 + 6327 41 -10.508000 -39.321000 13.879000 201 " " K H 2 "LYS " " HD3" 1 0 0 1 35.19 6327 207 + 6328 41 -11.505000 -40.397000 12.901000 201 " " K H 2 "LYS " " HD2" 1 0 0 1 35.19 6328 207 + 6329 41 -10.754000 -41.622000 14.851000 201 " " K H 2 "LYS " " HE3" 1 0 0 1 41.45 6329 207 + 6330 41 -12.489000 -41.335000 15.013000 201 " " K H 2 "LYS " " HE2" 1 0 0 1 41.45 6330 207 + 6331 44 -12.048000 -39.546000 16.489000 201 " " K H 2 "LYS " " HZ1" 1 0 0 1 43.44 6331 207 + 6332 44 -11.210000 -40.860000 17.028000 201 " " K H 2 "LYS " " HZ2" 1 0 0 1 43.44 6332 207 + 6333 44 -10.420000 -39.642000 16.246000 201 " " K H 2 "LYS " " HZ3" 1 0 0 1 43.44 6333 207 + 6334 25 -15.395000 -38.985000 11.227000 202 " " P H 2 "PRO " " N " 7 0 0 1 22.31 6334 208 + 6335 3 -16.598000 -39.838000 11.361000 202 " " P H 2 "PRO " " CA " 6 0 0 1 22.35 6335 208 + 6336 2 -16.620000 -41.069000 10.444000 202 " " P H 2 "PRO " " C " 6 0 0 1 20.5 6336 208 + 6337 15 -17.230000 -42.092000 10.798000 202 " " P H 2 "PRO " " O " 8 0 0 1 18.73 6337 208 + 6338 3 -17.750000 -38.891000 11.007000 202 " " P H 2 "PRO " " CB " 6 0 0 1 22.5 6338 208 + 6339 3 -17.188000 -37.489000 11.259000 202 " " P H 2 "PRO " " CG " 6 0 0 1 22.32 6339 208 + 6340 3 -15.741000 -37.593000 10.874000 202 " " P H 2 "PRO " " CD " 6 0 0 1 23.64 6340 208 + 6341 41 -16.700000 -40.158000 12.398000 202 " " P H 2 "PRO " " HA " 1 0 0 1 22.35 6341 208 + 6342 41 -18.586000 -39.072000 11.682000 202 " " P H 2 "PRO " " HB3" 1 0 0 1 22.5 6342 208 + 6343 41 -17.993000 -38.998000 9.950000 202 " " P H 2 "PRO " " HB2" 1 0 0 1 22.5 6343 208 + 6344 41 -17.263000 -37.256000 12.321000 202 " " P H 2 "PRO " " HG3" 1 0 0 1 22.32 6344 208 + 6345 41 -17.686000 -36.777000 10.601000 202 " " P H 2 "PRO " " HG2" 1 0 0 1 22.32 6345 208 + 6346 41 -15.645000 -37.461000 9.796000 202 " " P H 2 "PRO " " HD2" 1 0 0 1 23.64 6346 208 + 6347 41 -15.155000 -36.910000 11.489000 202 " " P H 2 "PRO " " HD3" 1 0 0 1 23.64 6347 208 + 6348 25 -15.962000 -40.977000 9.289000 203 " " S H 2 "SER " " N " 7 0 0 1 18.54 6348 209 + 6349 3 -15.882000 -42.110000 8.353000 203 " " S H 2 "SER " " CA " 6 0 0 1 21.27 6349 209 + 6350 2 -14.529000 -42.833000 8.405000 203 " " S H 2 "SER " " C " 6 0 0 1 18.35 6350 209 + 6351 15 -14.288000 -43.756000 7.617000 203 " " S H 2 "SER " " O " 8 0 0 1 19.37 6351 209 + 6352 3 -16.120000 -41.629000 6.919000 203 " " S H 2 "SER " " CB " 6 0 0 1 17.67 6352 209 + 6353 16 -15.061000 -40.789000 6.492000 203 " " S H 2 "SER " " OG " 8 0 0 1 20.41 6353 209 + 6354 43 -15.502000 -40.114000 9.037000 203 " " S H 2 "SER " " H " 1 0 0 1 18.54 6354 209 + 6355 41 -16.664000 -42.825000 8.610000 203 " " S H 2 "SER " " HA " 1 0 0 1 21.27 6355 209 + 6356 41 -17.060000 -41.080000 6.872000 203 " " S H 2 "SER " " HB3" 1 0 0 1 17.67 6356 209 + 6357 41 -16.191000 -42.490000 6.254000 203 " " S H 2 "SER " " HB2" 1 0 0 1 17.67 6357 209 + 6358 42 -15.309000 -39.870000 6.621000 203 " " S H 2 "SER " " HG " 1 0 0 1 20.41 6358 209 + 6359 25 -13.652000 -42.392000 9.307000 204 " " N H 2 "ASN " " N " 7 0 0 1 19.76 6359 210 + 6360 3 -12.286000 -42.916000 9.416000 204 " " N H 2 "ASN " " CA " 6 0 0 1 19.75 6360 210 + 6361 2 -11.542000 -42.810000 8.091000 204 " " N H 2 "ASN " " C " 6 0 0 1 25.3 6361 210 + 6362 15 -10.873000 -43.739000 7.662000 204 " " N H 2 "ASN " " O " 8 0 0 1 24.43 6362 210 + 6363 3 -12.275000 -44.382000 9.910000 204 " " N H 2 "ASN " " CB " 6 0 0 1 24.23 6363 210 + 6364 2 -12.708000 -44.520000 11.352000 204 " " N H 2 "ASN " " CG " 6 0 0 1 28.62 6364 210 + 6365 15 -11.782000 -44.276000 12.278000 204 " " N H 2 "ASN " " OD1" 8 0 0 1 25.58 6365 210 + 6366 25 -13.870000 -44.833000 11.635000 204 " " N H 2 "ASN " " ND2" 7 0 0 1 26.22 6366 210 + 6367 43 -13.917000 -41.665000 9.956000 204 " " N H 2 "ASN " " H " 1 0 0 1 19.76 6367 210 + 6368 41 -11.753000 -42.311000 10.149000 204 " " N H 2 "ASN " " HA " 1 0 0 1 19.75 6368 210 + 6369 41 -11.274000 -44.797000 9.791000 204 " " N H 2 "ASN " " HB3" 1 0 0 1 24.23 6369 210 + 6370 41 -12.928000 -44.982000 9.277000 204 " " N H 2 "ASN " " HB2" 1 0 0 1 24.23 6370 210 + 6371 43 -14.148000 -44.922000 12.602000 204 " " N H 2 "ASN " "HD22" 1 0 0 1 26.22 6371 210 + 6372 43 -14.542000 -45.000000 10.899000 204 " " N H 2 "ASN " "HD21" 1 0 0 1 26.22 6372 210 + 6373 25 -11.704000 -41.674000 7.429000 205 " " T H 2 "THR " " N " 7 0 2 1 21.93 6373 211 + 6374 3 -10.997000 -41.386000 6.201000 205 " " T H 2 "THR " " CA " 6 0 2 1 23.47 6374 211 + 6375 2 -9.763000 -40.566000 6.544000 205 " " T H 2 "THR " " C " 6 0 2 1 23.91 6375 211 + 6376 15 -9.854000 -39.540000 7.229000 205 " " T H 2 "THR " " O " 8 0 2 1 25.76 6376 211 + 6377 3 -11.904000 -40.616000 5.201000 205 " " T H 2 "THR " " CB " 6 0 2 1 26.33 6377 211 + 6378 16 -13.042000 -41.424000 4.902000 205 " " T H 2 "THR " " OG1" 8 0 2 1 23.72 6378 211 + 6379 3 -11.158000 -40.302000 3.892000 205 " " T H 2 "THR " " CG2" 6 0 2 1 26.7 6379 211 + 6380 43 -12.340000 -40.972000 7.779000 205 " " T H 2 "THR " " H " 1 0 2 1 21.93 6380 211 + 6381 41 -10.683000 -42.325000 5.744000 205 " " T H 2 "THR " " HA " 1 0 2 1 23.47 6381 211 + 6382 41 -12.235000 -39.684000 5.659000 205 " " T H 2 "THR " " HB " 1 0 2 1 26.33 6382 211 + 6383 42 -13.528000 -41.605000 5.710000 205 " " T H 2 "THR " " HG1" 1 0 2 1 23.72 6383 211 + 6384 41 -11.821000 -39.763000 3.215000 205 " " T H 2 "THR " "HG21" 1 0 2 1 26.7 6384 211 + 6385 41 -10.284000 -39.687000 4.109000 205 " " T H 2 "THR " "HG22" 1 0 2 1 26.7 6385 211 + 6386 41 -10.839000 -41.233000 3.423000 205 " " T H 2 "THR " "HG23" 1 0 2 1 26.7 6386 211 + 6387 25 -8.607000 -41.055000 6.102000 206 " " K H 2 "LYS " " N " 7 0 2 1 22.12 6387 212 + 6388 3 -7.383000 -40.254000 6.057000 206 " " K H 2 "LYS " " CA " 6 0 2 1 23.5 6388 212 + 6389 2 -6.740000 -40.492000 4.693000 206 " " K H 2 "LYS " " C " 6 0 2 1 27.9 6389 212 + 6390 15 -6.235000 -41.586000 4.416000 206 " " K H 2 "LYS " " O " 8 0 2 1 23.78 6390 212 + 6391 3 -6.411000 -40.637000 7.184000 206 " " K H 2 "LYS " " CB " 6 0 2 1 25.16 6391 212 + 6392 3 -6.916000 -40.324000 8.578000 206 " " K H 2 "LYS " " CG " 6 0 2 1 26.07 6392 212 + 6393 3 -5.827000 -40.462000 9.654000 206 " " K H 2 "LYS " " CD " 6 0 2 1 26.66 6393 212 + 6394 3 -6.409000 -40.139000 11.037000 206 " " K H 2 "LYS " " CE " 6 0 2 1 28.61 6394 212 + 6395 32 -5.406000 -40.364000 12.146000 206 " " K H 2 "LYS " " NZ " 7 1 2 1 35.64 6395 212 + 6396 43 -8.553000 -42.011000 5.782000 206 " " K H 2 "LYS " " H " 1 0 2 1 22.12 6396 212 + 6397 41 -7.642000 -39.199000 6.151000 206 " " K H 2 "LYS " " HA " 1 0 2 1 23.5 6397 212 + 6398 41 -5.457000 -40.135000 7.024000 206 " " K H 2 "LYS " " HB3" 1 0 2 1 25.16 6398 212 + 6399 41 -6.178000 -41.700000 7.114000 206 " " K H 2 "LYS " " HB2" 1 0 2 1 25.16 6399 212 + 6400 41 -7.749000 -40.985000 8.818000 206 " " K H 2 "LYS " " HG3" 1 0 2 1 26.07 6400 212 + 6401 41 -7.319000 -39.311000 8.598000 206 " " K H 2 "LYS " " HG2" 1 0 2 1 26.07 6401 212 + 6402 41 -5.010000 -39.774000 9.434000 206 " " K H 2 "LYS " " HD3" 1 0 2 1 26.66 6402 212 + 6403 41 -5.441000 -41.481000 9.652000 206 " " K H 2 "LYS " " HD2" 1 0 2 1 26.66 6403 212 + 6404 41 -7.289000 -40.757000 11.213000 206 " " K H 2 "LYS " " HE3" 1 0 2 1 28.61 6404 212 + 6405 41 -6.744000 -39.102000 11.056000 206 " " K H 2 "LYS " " HE2" 1 0 2 1 28.61 6405 212 + 6406 44 -5.888000 -40.406000 13.033000 206 " " K H 2 "LYS " " HZ1" 1 0 2 1 35.64 6406 212 + 6407 44 -4.917000 -41.234000 11.987000 206 " " K H 2 "LYS " " HZ2" 1 0 2 1 35.64 6407 212 + 6408 44 -4.742000 -39.603000 12.160000 206 " " K H 2 "LYS " " HZ3" 1 0 2 1 35.64 6408 212 + 6409 25 -6.780000 -39.470000 3.843000 207 " " V H 2 "VAL " " N " 7 0 2 1 25.04 6409 213 + 6410 3 -6.355000 -39.576000 2.452000 207 " " V H 2 "VAL " " CA " 6 0 2 1 28.07 6410 213 + 6411 2 -5.314000 -38.487000 2.184000 207 " " V H 2 "VAL " " C " 6 0 2 1 27.72 6411 213 + 6412 15 -5.361000 -37.421000 2.784000 207 " " V H 2 "VAL " " O " 8 0 2 1 24.68 6412 213 + 6413 3 -7.569000 -39.391000 1.499000 207 " " V H 2 "VAL " " CB " 6 0 2 1 27.57 6413 213 + 6414 3 -7.132000 -38.979000 0.094000 207 " " V H 2 "VAL " " CG1" 6 0 2 1 37.49 6414 213 + 6415 3 -8.389000 -40.664000 1.437000 207 " " V H 2 "VAL " " CG2" 6 0 2 1 34.65 6415 213 + 6416 43 -7.116000 -38.569000 4.152000 207 " " V H 2 "VAL " " H " 1 0 2 1 25.04 6416 213 + 6417 41 -5.907000 -40.555000 2.283000 207 " " V H 2 "VAL " " HA " 1 0 2 1 28.07 6417 213 + 6418 41 -8.200000 -38.600000 1.904000 207 " " V H 2 "VAL " " HB " 1 0 2 1 27.57 6418 213 + 6419 41 -8.011000 -38.860000 -0.540000 207 " " V H 2 "VAL " "HG11" 1 0 2 1 37.49 6419 213 + 6420 41 -6.590000 -38.035000 0.144000 207 " " V H 2 "VAL " "HG12" 1 0 2 1 37.49 6420 213 + 6421 41 -6.483000 -39.748000 -0.325000 207 " " V H 2 "VAL " "HG13" 1 0 2 1 37.49 6421 213 + 6422 41 -9.236000 -40.519000 0.766000 207 " " V H 2 "VAL " "HG21" 1 0 2 1 34.65 6422 213 + 6423 41 -7.768000 -41.479000 1.067000 207 " " V H 2 "VAL " "HG22" 1 0 2 1 34.65 6423 213 + 6424 41 -8.754000 -40.910000 2.434000 207 " " V H 2 "VAL " "HG23" 1 0 2 1 34.65 6424 213 + 6425 25 -4.375000 -38.774000 1.288000 208 " " D H 2 "ASP " " N " 7 0 2 1 25.62 6425 214 + 6426 3 -3.381000 -37.784000 0.874000 208 " " D H 2 "ASP " " CA " 6 0 2 1 24.55 6426 214 + 6427 2 -3.310000 -37.791000 -0.640000 208 " " D H 2 "ASP " " C " 6 0 2 1 28.08 6427 214 + 6428 15 -3.368000 -38.857000 -1.264000 208 " " D H 2 "ASP " " O " 8 0 2 1 27.35 6428 214 + 6429 3 -2.026000 -38.102000 1.501000 208 " " D H 2 "ASP " " CB " 6 0 2 1 28.68 6429 214 + 6430 2 -2.105000 -38.191000 3.020000 208 " " D H 2 "ASP " " CG " 6 0 2 1 32.42 6430 214 + 6431 15 -1.880000 -37.174000 3.685000 208 " " D H 2 "ASP " " OD1" 8 0 2 1 27.91 6431 214 + 6432 18 -2.444000 -39.268000 3.553000 208 " " D H 2 "ASP " " OD2" 8 -1 2 1 34.46 6432 214 + 6433 43 -4.336000 -39.695000 0.875000 208 " " D H 2 "ASP " " H " 1 0 2 1 25.62 6433 214 + 6434 41 -3.703000 -36.798000 1.209000 208 " " D H 2 "ASP " " HA " 1 0 2 1 24.55 6434 214 + 6435 41 -1.307000 -37.333000 1.220000 208 " " D H 2 "ASP " " HB3" 1 0 2 1 28.68 6435 214 + 6436 41 -1.654000 -39.045000 1.101000 208 " " D H 2 "ASP " " HB2" 1 0 2 1 28.68 6436 214 + 6437 25 -3.226000 -36.600000 -1.231000 209 " " K H 2 "LYS " " N " 7 0 2 1 20.68 6437 215 + 6438 3 -3.163000 -36.479000 -2.680000 209 " " K H 2 "LYS " " CA " 6 0 2 1 22.9 6438 215 + 6439 2 -2.041000 -35.523000 -3.074000 209 " " K H 2 "LYS " " C " 6 0 2 1 19.97 6439 215 + 6440 15 -2.057000 -34.373000 -2.667000 209 " " K H 2 "LYS " " O " 8 0 2 1 20.11 6440 215 + 6441 3 -4.502000 -35.940000 -3.198000 209 " " K H 2 "LYS " " CB " 6 0 2 1 26.29 6441 215 + 6442 3 -4.573000 -35.708000 -4.713000 209 " " K H 2 "LYS " " CG " 6 0 2 1 32.34 6442 215 + 6443 3 -4.816000 -36.992000 -5.497000 209 " " K H 2 "LYS " " CD " 6 0 2 1 39.53 6443 215 + 6444 3 -6.053000 -37.730000 -4.983000 209 " " K H 2 "LYS " " CE " 6 0 2 1 41.2 6444 215 + 6445 32 -6.347000 -38.946000 -5.775000 209 " " K H 2 "LYS " " NZ " 7 1 2 1 48.8 6445 215 + 6446 43 -3.205000 -35.759000 -0.672000 209 " " K H 2 "LYS " " H " 1 0 2 1 20.68 6446 215 + 6447 41 -2.974000 -37.459000 -3.117000 209 " " K H 2 "LYS " " HA " 1 0 2 1 22.9 6447 215 + 6448 41 -4.741000 -35.011000 -2.680000 209 " " K H 2 "LYS " " HB3" 1 0 2 1 26.29 6448 215 + 6449 41 -5.303000 -36.617000 -2.899000 209 " " K H 2 "LYS " " HB2" 1 0 2 1 26.29 6449 215 + 6450 41 -3.646000 -35.246000 -5.053000 209 " " K H 2 "LYS " " HG3" 1 0 2 1 32.34 6450 215 + 6451 41 -5.366000 -34.994000 -4.933000 209 " " K H 2 "LYS " " HG2" 1 0 2 1 32.34 6451 215 + 6452 41 -3.944000 -37.641000 -5.410000 209 " " K H 2 "LYS " " HD3" 1 0 2 1 39.53 6452 215 + 6453 41 -4.948000 -36.753000 -6.552000 209 " " K H 2 "LYS " " HD2" 1 0 2 1 39.53 6453 215 + 6454 41 -6.913000 -37.061000 -5.013000 209 " " K H 2 "LYS " " HE3" 1 0 2 1 41.2 6454 215 + 6455 41 -5.903000 -38.005000 -3.939000 209 " " K H 2 "LYS " " HE2" 1 0 2 1 41.2 6455 215 + 6456 44 -6.921000 -38.701000 -6.569000 209 " " K H 2 "LYS " " HZ1" 1 0 2 1 48.8 6456 215 + 6457 44 -5.482000 -39.355000 -6.099000 209 " " K H 2 "LYS " " HZ2" 1 0 2 1 48.8 6457 215 + 6458 44 -6.839000 -39.613000 -5.198000 209 " " K H 2 "LYS " " HZ3" 1 0 2 1 48.8 6458 215 + 6459 25 -1.094000 -36.008000 -3.869000 210 " " K H 2 "LYS " " N " 7 0 2 1 19.67 6459 216 + 6460 3 -0.050000 -35.166000 -4.454000 210 " " K H 2 "LYS " " CA " 6 0 2 1 20.5 6460 216 + 6461 2 -0.659000 -34.418000 -5.634000 210 " " K H 2 "LYS " " C " 6 0 2 1 21.38 6461 216 + 6462 15 -1.244000 -35.028000 -6.535000 210 " " K H 2 "LYS " " O " 8 0 2 1 26.78 6462 216 + 6463 3 1.147000 -36.021000 -4.903000 210 " " K H 2 "LYS " " CB " 6 0 2 1 22.61 6463 216 + 6464 3 2.233000 -35.244000 -5.635000 210 " " K H 2 "LYS " " CG " 6 0 2 1 23.24 6464 216 + 6465 3 3.509000 -36.084000 -5.867000 210 " " K H 2 "LYS " " CD " 6 0 2 1 26.98 6465 216 + 6466 3 3.240000 -37.339000 -6.701000 210 " " K H 2 "LYS " " CE " 6 0 2 1 33.47 6466 216 + 6467 32 4.450000 -38.225000 -6.873000 210 " " K H 2 "LYS " " NZ " 7 1 2 1 34.55 6467 216 + 6468 43 -1.076000 -36.993000 -4.091000 210 " " K H 2 "LYS " " H " 1 0 2 1 19.67 6468 216 + 6469 41 0.286000 -34.445000 -3.709000 210 " " K H 2 "LYS " " HA " 1 0 2 1 20.5 6469 216 + 6470 41 0.793000 -36.833000 -5.539000 210 " " K H 2 "LYS " " HB3" 1 0 2 1 22.61 6470 216 + 6471 41 1.581000 -36.518000 -4.036000 210 " " K H 2 "LYS " " HB2" 1 0 2 1 22.61 6471 216 + 6472 41 2.486000 -34.350000 -5.064000 210 " " K H 2 "LYS " " HG3" 1 0 2 1 23.24 6472 216 + 6473 41 1.847000 -34.899000 -6.594000 210 " " K H 2 "LYS " " HG2" 1 0 2 1 23.24 6473 216 + 6474 41 3.933000 -36.372000 -4.905000 210 " " K H 2 "LYS " " HD3" 1 0 2 1 26.98 6474 216 + 6475 41 4.260000 -35.472000 -6.366000 210 " " K H 2 "LYS " " HD2" 1 0 2 1 26.98 6475 216 + 6476 41 2.863000 -37.048000 -7.681000 210 " " K H 2 "LYS " " HE3" 1 0 2 1 33.47 6476 216 + 6477 41 2.434000 -37.912000 -6.242000 210 " " K H 2 "LYS " " HE2" 1 0 2 1 33.47 6477 216 + 6478 44 4.775000 -38.531000 -5.967000 210 " " K H 2 "LYS " " HZ1" 1 0 2 1 34.55 6478 216 + 6479 44 4.202000 -39.030000 -7.430000 210 " " K H 2 "LYS " " HZ2" 1 0 2 1 34.55 6479 216 + 6480 44 5.183000 -37.708000 -7.337000 210 " " K H 2 "LYS " " HZ3" 1 0 2 1 34.55 6480 216 + 6481 25 -0.526000 -33.097000 -5.624000 211 " " V H 2 "VAL " " N " 7 0 0 1 20.08 6481 217 + 6482 3 -1.148000 -32.253000 -6.654000 211 " " V H 2 "VAL " " CA " 6 0 0 1 20.42 6482 217 + 6483 2 -0.065000 -31.792000 -7.614000 211 " " V H 2 "VAL " " C " 6 0 0 1 24.58 6483 217 + 6484 15 0.798000 -30.992000 -7.251000 211 " " V H 2 "VAL " " O " 8 0 0 1 23.96 6484 217 + 6485 3 -1.915000 -31.082000 -6.024000 211 " " V H 2 "VAL " " CB " 6 0 0 1 17.68 6485 217 + 6486 3 -2.575000 -30.195000 -7.095000 211 " " V H 2 "VAL " " CG1" 6 0 0 1 19.65 6486 217 + 6487 3 -2.962000 -31.632000 -5.033000 211 " " V H 2 "VAL " " CG2" 6 0 0 1 20.38 6487 217 + 6488 43 0.013000 -32.649000 -4.897000 211 " " V H 2 "VAL " " H " 1 0 0 1 20.08 6488 217 + 6489 41 -1.858000 -32.864000 -7.211000 211 " " V H 2 "VAL " " HA " 1 0 0 1 20.42 6489 217 + 6490 41 -1.206000 -30.471000 -5.466000 211 " " V H 2 "VAL " " HB " 1 0 0 1 17.68 6490 217 + 6491 41 -3.109000 -29.377000 -6.611000 211 " " V H 2 "VAL " "HG11" 1 0 0 1 19.65 6491 217 + 6492 41 -1.808000 -29.788000 -7.754000 211 " " V H 2 "VAL " "HG12" 1 0 0 1 19.65 6492 217 + 6493 41 -3.276000 -30.791000 -7.679000 211 " " V H 2 "VAL " "HG13" 1 0 0 1 19.65 6493 217 + 6494 41 -3.509000 -30.803000 -4.584000 211 " " V H 2 "VAL " "HG21" 1 0 0 1 20.38 6494 217 + 6495 41 -3.659000 -32.281000 -5.563000 211 " " V H 2 "VAL " "HG22" 1 0 0 1 20.38 6495 217 + 6496 41 -2.459000 -32.201000 -4.251000 211 " " V H 2 "VAL " "HG23" 1 0 0 1 20.38 6496 217 + 6497 25 -0.118000 -32.326000 -8.833000 212 " " E H 2 "GLU " " N " 7 0 0 1 24.67 6497 218 + 6498 3 0.913000 -32.069000 -9.831000 212 " " E H 2 "GLU " " CA " 6 0 0 1 29.64 6498 218 + 6499 2 0.417000 -31.245000 -11.018000 212 " " E H 2 "GLU " " C " 6 0 0 1 29.34 6499 218 + 6500 15 -0.764000 -31.319000 -11.369000 212 " " E H 2 "GLU " " O " 8 0 0 1 25.61 6500 218 + 6501 3 1.485000 -33.399000 -10.323000 212 " " E H 2 "GLU " " CB " 6 0 0 1 31.5 6501 218 + 6502 3 2.206000 -34.160000 -9.239000 212 " " E H 2 "GLU " " CG " 6 0 0 1 41.93 6502 218 + 6503 2 2.795000 -35.460000 -9.723000 212 " " E H 2 "GLU " " CD " 6 0 0 1 47.61 6503 218 + 6504 15 2.024000 -36.364000 -10.123000 212 " " E H 2 "GLU " " OE1" 8 0 0 1 50.28 6504 218 + 6505 18 4.035000 -35.583000 -9.678000 212 " " E H 2 "GLU " " OE2" 8 -1 0 1 52.18 6505 218 + 6506 43 -0.888000 -32.928000 -9.088000 212 " " E H 2 "GLU " " H " 1 0 0 1 24.67 6506 218 + 6507 41 1.718000 -31.514000 -9.349000 212 " " E H 2 "GLU " " HA " 1 0 0 1 29.64 6507 218 + 6508 41 2.168000 -33.215000 -11.152000 212 " " E H 2 "GLU " " HB3" 1 0 0 1 31.5 6508 218 + 6509 41 0.679000 -34.014000 -10.723000 212 " " E H 2 "GLU " " HB2" 1 0 0 1 31.5 6509 218 + 6510 41 1.518000 -34.358000 -8.417000 212 " " E H 2 "GLU " " HG3" 1 0 0 1 41.93 6510 218 + 6511 41 2.998000 -33.536000 -8.824000 212 " " E H 2 "GLU " " HG2" 1 0 0 1 41.93 6511 218 + 6512 25 1.317000 -30.453000 -11.646000 213 " " P H 2 "PRO " " N " 7 0 0 1 29.69 6512 219 + 6513 3 0.926000 -29.840000 -12.920000 213 " " P H 2 "PRO " " CA " 6 0 0 1 32.23 6513 219 + 6514 2 0.503000 -30.957000 -13.895000 213 " " P H 2 "PRO " " C " 6 0 0 1 34.53 6514 219 + 6515 15 1.121000 -32.020000 -13.894000 213 " " P H 2 "PRO " " O " 8 0 0 1 32.75 6515 219 + 6516 3 2.216000 -29.154000 -13.388000 213 " " P H 2 "PRO " " CB " 6 0 0 1 33.16 6516 219 + 6517 3 3.007000 -28.928000 -12.134000 213 " " P H 2 "PRO " " CG " 6 0 0 1 28.54 6517 219 + 6518 3 2.698000 -30.101000 -11.257000 213 " " P H 2 "PRO " " CD " 6 0 0 1 31.29 6518 219 + 6519 41 0.124000 -29.116000 -12.779000 213 " " P H 2 "PRO " " HA " 1 0 0 1 32.23 6519 219 + 6520 41 1.971000 -28.192000 -13.839000 213 " " P H 2 "PRO " " HB3" 1 0 0 1 33.16 6520 219 + 6521 41 2.766000 -29.828000 -14.045000 213 " " P H 2 "PRO " " HB2" 1 0 0 1 33.16 6521 219 + 6522 41 2.663000 -28.014000 -11.650000 213 " " P H 2 "PRO " " HG3" 1 0 0 1 28.54 6522 219 + 6523 41 4.070000 -28.925000 -12.373000 213 " " P H 2 "PRO " " HG2" 1 0 0 1 28.54 6523 219 + 6524 41 3.364000 -30.925000 -11.511000 213 " " P H 2 "PRO " " HD2" 1 0 0 1 31.29 6524 219 + 6525 41 2.708000 -29.783000 -10.214000 213 " " P H 2 "PRO " " HD3" 1 0 0 1 31.29 6525 219 + 6526 25 -0.552000 -30.745000 -14.684000 214 " " K H 2 "LYS " " N " 7 0 0 1 40.54 6526 220 + 6527 3 -1.057000 -31.801000 -15.589000 214 " " K H 2 "LYS " " CA " 6 0 0 1 45.3 6527 220 + 6528 2 -0.427000 -31.772000 -16.988000 214 " " K H 2 "LYS " " C " 6 0 0 1 50.54 6528 220 + 6529 15 -0.211000 -30.703000 -17.568000 214 " " K H 2 "LYS " " O " 8 0 0 1 51.7 6529 220 + 6530 3 -2.579000 -31.765000 -15.687000 214 " " K H 2 "LYS " " CB " 6 0 0 1 <> 6530 220 + 6531 3 -3.156000 -32.871000 -16.575000 214 " " K H 2 "LYS " " CG " 6 0 0 1 <> 6531 220 + 6532 3 -4.688000 -32.950000 -16.578000 214 " " K H 2 "LYS " " CD " 6 0 0 1 <> 6532 220 + 6533 3 -5.401000 -31.814000 -17.323000 214 " " K H 2 "LYS " " CE " 6 0 0 1 <> 6533 220 + 6534 32 -6.867000 -31.963000 -17.335000 214 " " K H 2 "LYS " " NZ " 7 1 0 1 <> 6534 220 + 6535 43 -1.021000 -29.851000 -14.670000 214 " " K H 2 "LYS " " H " 1 0 0 1 40.54 6535 220 + 6536 41 -0.790000 -32.758000 -15.140000 214 " " K H 2 "LYS " " HA " 1 0 0 1 45.3 6536 220 + 6537 41 -0.172000 -32.707000 -17.465000 214 " " K H 2 "LYS " " HXT" 1 0 0 1 50.54 6537 220 + 6538 41 -3.011000 -31.885000 -14.693000 214 " " K H 2 "LYS " " HB2" 1 0 0 1 <> 6538 220 + 6539 41 -2.895000 -30.810000 -16.107000 214 " " K H 2 "LYS " " HB3" 1 0 0 1 <> 6539 220 + 6540 41 -2.846000 -32.708000 -17.607000 214 " " K H 2 "LYS " " HG2" 1 0 0 1 <> 6540 220 + 6541 41 -2.790000 -33.840000 -16.235000 214 " " K H 2 "LYS " " HG3" 1 0 0 1 <> 6541 220 + 6542 41 -5.004000 -33.879000 -17.053000 214 " " K H 2 "LYS " " HD2" 1 0 0 1 <> 6542 220 + 6543 41 -5.055000 -32.925000 -15.552000 214 " " K H 2 "LYS " " HD3" 1 0 0 1 <> 6543 220 + 6544 41 -5.169000 -30.863000 -16.845000 214 " " K H 2 "LYS " " HE2" 1 0 0 1 <> 6544 220 + 6545 41 -5.063000 -31.791000 -18.359000 214 " " K H 2 "LYS " " HE3" 1 0 0 1 <> 6545 220 + 6546 44 -7.213000 -31.971000 -16.386000 214 " " K H 2 "LYS " " HZ1" 1 0 0 1 <> 6546 220 + 6547 44 -7.280000 -31.191000 -17.837000 214 " " K H 2 "LYS " " HZ2" 1 0 0 1 <> 6547 220 + 6548 44 -7.114000 -32.831000 -17.790000 214 " " K H 2 "LYS " " HZ3" 1 0 0 1 <> 6548 220 + ::: + } + m_bond[6631] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 9 1 + 3 1 10 1 + 4 1 11 1 + 5 2 3 1 + 6 2 5 1 + 7 2 12 1 + 8 3 4 2 + 9 3 15 1 + 10 5 6 1 + 11 5 13 1 + 12 5 14 1 + 13 6 7 2 + 14 6 8 1 + 15 15 16 1 + 16 15 23 1 + 17 16 17 1 + 18 16 19 1 + 19 16 24 1 + 20 17 18 2 + 21 17 34 1 + 22 19 20 1 + 23 19 21 1 + 24 19 25 1 + 25 20 22 1 + 26 20 26 1 + 27 20 27 1 + 28 21 28 1 + 29 21 29 1 + 30 21 30 1 + 31 22 31 1 + 32 22 32 1 + 33 22 33 1 + 34 34 35 1 + 35 34 41 1 + 36 35 36 1 + 37 35 38 1 + 38 35 42 1 + 39 36 37 2 + 40 36 50 1 + 41 38 39 1 + 42 38 40 1 + 43 38 43 1 + 44 39 44 1 + 45 39 45 1 + 46 39 46 1 + 47 40 47 1 + 48 40 48 1 + 49 40 49 1 + 50 50 51 1 + 51 50 58 1 + 52 51 52 1 + 53 51 54 1 + 54 51 59 1 + 55 52 53 2 + 56 52 67 1 + 57 54 55 1 + 58 54 60 1 + 59 54 61 1 + 60 55 56 1 + 61 55 62 1 + 62 55 63 1 + 63 56 57 1 + 64 57 64 1 + 65 57 65 1 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6627 6534 6548 1 + 6628 352 1352 1 + 6629 2022 2959 1 + 6630 3566 4722 1 + 6631 5425 6246 1 + ::: + } + m_PDB_SEQRES[2] { + s_pdb_chain_id + s_pdb_SEQRES + ::: + 1 H "GLN VAL GLN LEU GLN GLN SER GLY PRO GLU LEU VAL ARG PRO GLY VAL SER VAL LYS ILE SER CYS LYS GLY SER GLY TYR THR PHE ILE ASP GLU ALA LEU HIS TRP VAL LYS GLN SER HIS ALA GLU SER LEU GLU TRP ILE GLY VAL ILE ARG PRO TYR SER GLY GLU THR ASN TYR ASN GLN LYS PHE LYS ASP LYS ALA THR MET THR VAL ASP ILE SER SER SER THR ALA TYR LEU GLU LEU ALA ARG LEU THR SER GLU ASP SER ALA ILE TYR TYR CYS ALA ARG ASP TRP GLU ARG GLY ASP PHE PHE ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS " + 2 L "ASP ILE VAL MET THR GLN THR PRO LYS PHE LEU LEU VAL SER ALA GLY ASP LYS VAL THR ILE THR CYS LYS ALA SER GLN SER VAL SER ASN ASP LEU THR TRP TYR GLN GLN LYS PRO GLY GLN SER PRO LYS LEU LEU ILE TYR TYR ALA SER ASN ARG TYR THR GLY VAL PRO ASP ARG PHE THR GLY SER GLY TYR GLY THR ASP PHE THR PHE THR ILE SER THR VAL GLN ALA GLU ASP LEU ALA VAL TYR PHE CYS GLN GLN ASP TYR GLY SER PRO PRO THR PHE GLY GLY GLY THR LYS VAL GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER PHE ASN ARG GLY GLU CYS " + ::: + } +} + diff --git a/test/PDB/BondsRestoring/3mxw_ab_b.pdb b/test/PDB/BondsRestoring/3mxw_ab_b.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/3mxw_ab_b.pdb @@ -0,0 +1,6585 @@ +SEQRES 1 H 220 GLN VAL GLN LEU GLN GLN SER GLY PRO GLU LEU VAL ARG +SEQRES 2 H 220 PRO GLY VAL SER VAL LYS ILE SER CYS LYS GLY SER GLY +SEQRES 3 H 220 TYR THR PHE ILE ASP GLU ALA LEU HIS TRP VAL LYS GLN +SEQRES 4 H 220 SER HIS ALA GLU SER LEU GLU TRP ILE GLY VAL ILE ARG +SEQRES 5 H 220 PRO TYR SER GLY GLU THR ASN TYR ASN GLN LYS PHE LYS +SEQRES 6 H 220 ASP LYS ALA THR MET THR VAL ASP ILE SER SER SER THR +SEQRES 7 H 220 ALA TYR LEU GLU LEU ALA ARG LEU THR SER GLU ASP SER +SEQRES 8 H 220 ALA ILE TYR TYR CYS ALA ARG ASP TRP GLU ARG GLY ASP +SEQRES 9 H 220 PHE PHE ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL +SEQRES 10 H 220 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU +SEQRES 11 H 220 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA +SEQRES 12 H 220 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL +SEQRES 13 H 220 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL +SEQRES 14 H 220 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR +SEQRES 15 H 220 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU +SEQRES 16 H 220 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO +SEQRES 17 H 220 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS +SEQRES 1 L 214 ASP ILE VAL MET THR GLN THR PRO LYS PHE LEU LEU VAL +SEQRES 2 L 214 SER ALA GLY ASP LYS VAL THR ILE THR CYS LYS ALA SER +SEQRES 3 L 214 GLN SER VAL SER ASN ASP LEU THR TRP TYR GLN GLN LYS +SEQRES 4 L 214 PRO GLY GLN SER PRO LYS LEU LEU ILE TYR TYR ALA SER +SEQRES 5 L 214 ASN ARG TYR THR GLY VAL PRO ASP ARG PHE THR GLY SER +SEQRES 6 L 214 GLY TYR GLY THR ASP PHE THR PHE THR ILE SER THR VAL +SEQRES 7 L 214 GLN ALA GLU ASP LEU ALA VAL TYR PHE CYS GLN GLN ASP +SEQRES 8 L 214 TYR GLY SER PRO PRO THR PHE GLY GLY GLY THR LYS VAL +SEQRES 9 L 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE +SEQRES 10 L 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA +SEQRES 11 L 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU +SEQRES 12 L 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER +SEQRES 13 L 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS +SEQRES 14 L 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER +SEQRES 15 L 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU +SEQRES 16 L 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER +SEQRES 17 L 214 PHE ASN ARG GLY GLU CYS +ATOM 1 N ASP L 1 -30.402 -17.217 36.999 1.00 32.44 N +ATOM 2 CA ASP L 1 -29.057 -16.989 36.410 1.00 29.73 C +ATOM 3 C ASP L 1 -28.867 -15.542 35.999 1.00 28.06 C +ATOM 4 O ASP L 1 -29.833 -14.828 35.719 1.00 25.63 O +ATOM 5 CB ASP L 1 -28.841 -17.904 35.212 1.00 32.55 C +ATOM 6 CG ASP L 1 -29.043 -19.374 35.557 1.00 34.56 C +ATOM 7 OD1 ASP L 1 -29.521 -19.690 36.677 1.00 35.61 O +ATOM 8 OD2 ASP L 1 -28.726 -20.211 34.697 1.00 31.69 O +ATOM 9 H1 ASP L 1 -30.495 -18.188 37.261 1.00 32.44 H +ATOM 10 H2 ASP L 1 -30.515 -16.636 37.817 1.00 32.44 H +ATOM 11 H3 ASP L 1 -31.112 -16.983 36.320 1.00 32.44 H +ATOM 12 HA ASP L 1 -28.308 -17.231 37.164 1.00 29.73 H +ATOM 13 HB3 ASP L 1 -27.834 -17.758 34.822 1.00 32.55 H +ATOM 14 HB2 ASP L 1 -29.526 -17.622 34.413 1.00 32.55 H +ATOM 15 N ILE L 2 -27.613 -15.114 35.969 1.00 23.01 N +ATOM 16 CA ILE L 2 -27.286 -13.751 35.595 1.00 22.66 C +ATOM 17 C ILE L 2 -27.155 -13.672 34.078 1.00 19.90 C +ATOM 18 O ILE L 2 -26.507 -14.511 33.460 1.00 20.48 O +ATOM 19 CB ILE L 2 -26.007 -13.263 36.297 1.00 21.88 C +ATOM 20 CG1 ILE L 2 -26.151 -13.440 37.818 1.00 20.73 C +ATOM 21 CG2 ILE L 2 -25.720 -11.800 35.936 1.00 21.08 C +ATOM 22 CD1 ILE L 2 -24.954 -12.959 38.631 1.00 22.84 C +ATOM 23 H ILE L 2 -26.859 -15.742 36.210 1.00 23.01 H +ATOM 24 HA ILE L 2 -28.110 -13.106 35.900 1.00 22.66 H +ATOM 25 HB ILE L 2 -25.171 -13.874 35.956 1.00 21.88 H +ATOM 26 HG13 ILE L 2 -26.342 -14.489 38.043 1.00 20.73 H +ATOM 27 HG12 ILE L 2 -27.049 -12.924 38.158 1.00 20.73 H +ATOM 28 HG21 ILE L 2 -24.812 -11.472 36.442 1.00 21.08 H +ATOM 29 HG22 ILE L 2 -25.588 -11.711 34.858 1.00 21.08 H +ATOM 30 HG23 ILE L 2 -26.556 -11.176 36.252 1.00 21.08 H +ATOM 31 HD11 ILE L 2 -25.145 -13.123 39.692 1.00 22.84 H +ATOM 32 HD12 ILE L 2 -24.065 -13.514 38.332 1.00 22.84 H +ATOM 33 HD13 ILE L 2 -24.796 -11.896 38.451 1.00 22.84 H +ATOM 34 N VAL L 3 -27.799 -12.671 33.481 1.00 20.93 N +ATOM 35 CA VAL L 3 -27.752 -12.491 32.029 1.00 21.31 C +ATOM 36 C VAL L 3 -26.763 -11.375 31.697 1.00 22.00 C +ATOM 37 O VAL L 3 -26.814 -10.287 32.290 1.00 21.65 O +ATOM 38 CB VAL L 3 -29.175 -12.230 31.440 1.00 23.59 C +ATOM 39 CG1 VAL L 3 -29.118 -11.821 29.964 1.00 25.66 C +ATOM 40 CG2 VAL L 3 -30.049 -13.473 31.605 1.00 25.59 C +ATOM 41 H VAL L 3 -28.335 -12.015 34.032 1.00 20.93 H +ATOM 42 HA VAL L 3 -27.373 -13.414 31.590 1.00 21.31 H +ATOM 43 HB VAL L 3 -29.632 -11.415 32.002 1.00 23.59 H +ATOM 44 HG11 VAL L 3 -30.129 -11.649 29.595 1.00 25.66 H +ATOM 45 HG12 VAL L 3 -28.534 -10.906 29.862 1.00 25.66 H +ATOM 46 HG13 VAL L 3 -28.650 -12.616 29.384 1.00 25.66 H +ATOM 47 HG21 VAL L 3 -31.039 -13.280 31.191 1.00 25.59 H +ATOM 48 HG22 VAL L 3 -29.593 -14.311 31.078 1.00 25.59 H +ATOM 49 HG23 VAL L 3 -30.140 -13.716 32.664 1.00 25.59 H +ATOM 50 N MET L 4 -25.847 -11.667 30.775 1.00 19.92 N +ATOM 51 CA MET L 4 -24.879 -10.681 30.315 1.00 20.07 C +ATOM 52 C MET L 4 -25.308 -10.210 28.934 1.00 20.16 C +ATOM 53 O MET L 4 -25.366 -11.007 27.996 1.00 22.04 O +ATOM 54 CB MET L 4 -23.469 -11.279 30.270 1.00 22.01 C +ATOM 55 CG MET L 4 -23.023 -11.933 31.571 1.00 24.69 C +ATOM 56 SD MET L 4 -23.012 -10.792 32.943 1.00 26.59 S +ATOM 57 CE MET L 4 -21.780 -9.636 32.397 1.00 26.78 C +ATOM 58 H MET L 4 -25.811 -12.594 30.375 1.00 19.92 H +ATOM 59 HA MET L 4 -24.884 -9.832 30.998 1.00 20.07 H +ATOM 60 HB3 MET L 4 -22.756 -10.502 29.993 1.00 22.01 H +ATOM 61 HB2 MET L 4 -23.411 -12.008 29.461 1.00 22.01 H +ATOM 62 HG3 MET L 4 -22.026 -12.354 31.442 1.00 24.69 H +ATOM 63 HG2 MET L 4 -23.683 -12.770 31.801 1.00 24.69 H +ATOM 64 HE1 MET L 4 -21.655 -8.856 33.148 1.00 26.78 H +ATOM 65 HE2 MET L 4 -20.833 -10.155 32.252 1.00 26.78 H +ATOM 66 HE3 MET L 4 -22.095 -9.186 31.456 1.00 26.78 H +ATOM 67 N THR L 5 -25.638 -8.924 28.828 1.00 23.86 N +ATOM 68 CA THR L 5 -26.066 -8.345 27.554 1.00 24.32 C +ATOM 69 C THR L 5 -24.920 -7.548 26.963 1.00 20.99 C +ATOM 70 O THR L 5 -24.461 -6.560 27.542 1.00 22.39 O +ATOM 71 CB THR L 5 -27.306 -7.474 27.703 1.00 24.42 C +ATOM 72 OG1 THR L 5 -28.278 -8.178 28.478 1.00 28.84 O +ATOM 73 CG2 THR L 5 -27.898 -7.154 26.339 1.00 26.60 C +ATOM 74 H THR L 5 -25.596 -8.323 29.639 1.00 23.86 H +ATOM 75 HA THR L 5 -26.302 -9.161 26.871 1.00 24.32 H +ATOM 76 HB THR L 5 -27.040 -6.547 28.210 1.00 24.42 H +ATOM 77 HG1 THR L 5 -27.915 -8.375 29.345 1.00 28.84 H +ATOM 78 HG21 THR L 5 -28.784 -6.531 26.464 1.00 26.60 H +ATOM 79 HG22 THR L 5 -27.161 -6.621 25.738 1.00 26.60 H +ATOM 80 HG23 THR L 5 -28.174 -8.081 25.836 1.00 26.60 H +ATOM 81 N GLN L 6 -24.478 -7.995 25.800 1.00 19.60 N +ATOM 82 CA GLN L 6 -23.287 -7.465 25.168 1.00 22.69 C +ATOM 83 C GLN L 6 -23.678 -6.661 23.943 1.00 23.16 C +ATOM 84 O GLN L 6 -24.492 -7.115 23.130 1.00 24.03 O +ATOM 85 CB GLN L 6 -22.372 -8.628 24.782 1.00 27.53 C +ATOM 86 CG GLN L 6 -20.924 -8.258 24.671 1.00 28.44 C +ATOM 87 CD GLN L 6 -20.030 -9.429 24.319 1.00 23.10 C +ATOM 88 OE1 GLN L 6 -20.171 -10.538 24.845 1.00 22.85 O +ATOM 89 NE2 GLN L 6 -19.081 -9.176 23.441 1.00 21.45 N +ATOM 90 H GLN L 6 -24.975 -8.732 25.320 1.00 19.60 H +ATOM 91 HA GLN L 6 -22.766 -6.816 25.872 1.00 22.69 H +ATOM 92 HB3 GLN L 6 -22.709 -9.055 23.837 1.00 27.53 H +ATOM 93 HB2 GLN L 6 -22.485 -9.433 25.508 1.00 27.53 H +ATOM 94 HG3 GLN L 6 -20.590 -7.817 25.610 1.00 28.44 H +ATOM 95 HG2 GLN L 6 -20.807 -7.475 23.921 1.00 28.44 H +ATOM 96 HE22 GLN L 6 -18.446 -9.909 23.158 1.00 21.45 H +ATOM 97 HE21 GLN L 6 -18.988 -8.249 23.051 1.00 21.45 H +ATOM 98 N THR L 7 -23.093 -5.471 23.820 1.00 22.94 N +ATOM 99 CA THR L 7 -23.397 -4.535 22.722 1.00 24.76 C +ATOM 100 C THR L 7 -22.114 -3.792 22.290 1.00 24.05 C +ATOM 101 O THR L 7 -21.222 -3.549 23.117 1.00 23.90 O +ATOM 102 CB THR L 7 -24.464 -3.484 23.132 1.00 25.35 C +ATOM 103 OG1 THR L 7 -24.049 -2.804 24.322 1.00 24.93 O +ATOM 104 CG2 THR L 7 -25.838 -4.118 23.374 1.00 25.62 C +ATOM 105 H THR L 7 -22.406 -5.174 24.498 1.00 22.94 H +ATOM 106 HA THR L 7 -23.775 -5.104 21.872 1.00 24.76 H +ATOM 107 HB THR L 7 -24.556 -2.753 22.329 1.00 25.35 H +ATOM 108 HG1 THR L 7 -23.213 -2.360 24.162 1.00 24.93 H +ATOM 109 HG21 THR L 7 -26.551 -3.344 23.658 1.00 25.62 H +ATOM 110 HG22 THR L 7 -26.179 -4.608 22.462 1.00 25.62 H +ATOM 111 HG23 THR L 7 -25.763 -4.854 24.174 1.00 25.62 H +ATOM 112 N PRO L 8 -21.991 -3.475 20.989 1.00 25.71 N +ATOM 113 CA PRO L 8 -22.884 -3.908 19.901 1.00 27.40 C +ATOM 114 C PRO L 8 -22.666 -5.377 19.532 1.00 26.00 C +ATOM 115 O PRO L 8 -21.763 -6.022 20.067 1.00 24.50 O +ATOM 116 CB PRO L 8 -22.485 -2.986 18.741 1.00 26.05 C +ATOM 117 CG PRO L 8 -21.040 -2.695 19.000 1.00 26.13 C +ATOM 118 CD PRO L 8 -20.908 -2.600 20.496 1.00 26.10 C +ATOM 119 HA PRO L 8 -23.925 -3.739 20.177 1.00 27.40 H +ATOM 120 HB3 PRO L 8 -23.056 -2.060 18.804 1.00 26.05 H +ATOM 121 HB2 PRO L 8 -22.580 -3.528 17.800 1.00 26.05 H +ATOM 122 HG3 PRO L 8 -20.778 -1.736 18.552 1.00 26.13 H +ATOM 123 HG2 PRO L 8 -20.433 -3.524 18.635 1.00 26.13 H +ATOM 124 HD2 PRO L 8 -19.946 -3.013 20.799 1.00 26.10 H +ATOM 125 HD3 PRO L 8 -21.103 -1.575 20.810 1.00 26.10 H +ATOM 126 N LYS L 9 -23.481 -5.895 18.620 1.00 27.01 N +ATOM 127 CA LYS L 9 -23.340 -7.276 18.144 1.00 28.44 C +ATOM 128 C LYS L 9 -22.229 -7.381 17.092 1.00 23.88 C +ATOM 129 O LYS L 9 -21.621 -8.437 16.906 1.00 22.17 O +ATOM 130 CB LYS L 9 -24.668 -7.777 17.558 1.00 35.70 C +ATOM 131 CG LYS L 9 -25.907 -7.491 18.423 1.00 40.03 C +ATOM 132 CD LYS L 9 -26.188 -8.614 19.415 1.00 45.32 C +ATOM 133 CE LYS L 9 -27.369 -8.291 20.355 1.00 46.04 C +ATOM 134 NZ LYS L 9 -26.972 -7.697 21.679 1.00 50.38 N +ATOM 135 H LYS L 9 -24.226 -5.334 18.232 1.00 27.01 H +ATOM 136 HA LYS L 9 -23.075 -7.909 18.991 1.00 28.44 H +ATOM 137 HB3 LYS L 9 -24.598 -8.849 17.371 1.00 35.70 H +ATOM 138 HB2 LYS L 9 -24.812 -7.344 16.568 1.00 35.70 H +ATOM 139 HG3 LYS L 9 -26.775 -7.351 17.778 1.00 40.03 H +ATOM 140 HG2 LYS L 9 -25.763 -6.556 18.965 1.00 40.03 H +ATOM 141 HD3 LYS L 9 -25.294 -8.805 20.009 1.00 45.32 H +ATOM 142 HD2 LYS L 9 -26.400 -9.534 18.870 1.00 45.32 H +ATOM 143 HE3 LYS L 9 -27.952 -9.196 20.526 1.00 46.04 H +ATOM 144 HE2 LYS L 9 -28.059 -7.616 19.849 1.00 46.04 H +ATOM 145 HZ1 LYS L 9 -26.206 -7.053 21.543 1.00 50.38 H +ATOM 146 HZ2 LYS L 9 -27.759 -7.204 22.077 1.00 50.38 H +ATOM 147 HZ3 LYS L 9 -26.685 -8.434 22.307 1.00 50.38 H +ATOM 148 N PHE L 10 -21.969 -6.269 16.413 1.00 22.28 N +ATOM 149 CA PHE L 10 -21.020 -6.242 15.306 1.00 26.52 C +ATOM 150 C PHE L 10 -20.389 -4.854 15.216 1.00 23.65 C +ATOM 151 O PHE L 10 -21.060 -3.848 15.462 1.00 19.82 O +ATOM 152 CB PHE L 10 -21.754 -6.628 14.007 1.00 34.87 C +ATOM 153 CG PHE L 10 -21.231 -5.954 12.772 1.00 39.85 C +ATOM 154 CD1 PHE L 10 -20.208 -6.539 12.024 1.00 43.84 C +ATOM 155 CD2 PHE L 10 -21.775 -4.739 12.341 1.00 43.93 C +ATOM 156 CE1 PHE L 10 -19.722 -5.911 10.870 1.00 42.77 C +ATOM 157 CE2 PHE L 10 -21.297 -4.105 11.188 1.00 43.64 C +ATOM 158 CZ PHE L 10 -20.269 -4.696 10.453 1.00 41.78 C +ATOM 159 H PHE L 10 -22.435 -5.407 16.658 1.00 22.28 H +ATOM 160 HA PHE L 10 -20.235 -6.974 15.497 1.00 26.52 H +ATOM 161 HB3 PHE L 10 -22.817 -6.410 14.114 1.00 34.87 H +ATOM 162 HB2 PHE L 10 -21.709 -7.709 13.875 1.00 34.87 H +ATOM 163 HD1 PHE L 10 -19.785 -7.483 12.334 1.00 43.84 H +ATOM 164 HD2 PHE L 10 -22.575 -4.277 12.900 1.00 43.93 H +ATOM 165 HE1 PHE L 10 -18.924 -6.367 10.303 1.00 42.77 H +ATOM 166 HE2 PHE L 10 -21.724 -3.164 10.873 1.00 43.64 H +ATOM 167 HZ PHE L 10 -19.896 -4.214 9.561 1.00 41.78 H +ATOM 168 N LEU L 11 -19.100 -4.809 14.884 1.00 22.06 N +ATOM 169 CA LEU L 11 -18.399 -3.557 14.602 1.00 21.29 C +ATOM 170 C LEU L 11 -17.558 -3.720 13.354 1.00 23.04 C +ATOM 171 O LEU L 11 -16.895 -4.751 13.192 1.00 21.61 O +ATOM 172 CB LEU L 11 -17.487 -3.162 15.765 1.00 23.00 C +ATOM 173 CG LEU L 11 -18.108 -2.494 16.991 1.00 27.83 C +ATOM 174 CD1 LEU L 11 -17.100 -2.438 18.122 1.00 25.58 C +ATOM 175 CD2 LEU L 11 -18.623 -1.087 16.657 1.00 25.77 C +ATOM 176 H LEU L 11 -18.565 -5.663 14.818 1.00 22.06 H +ATOM 177 HA LEU L 11 -19.132 -2.767 14.438 1.00 21.29 H +ATOM 178 HB3 LEU L 11 -16.680 -2.534 15.387 1.00 23.00 H +ATOM 179 HB2 LEU L 11 -16.919 -4.036 16.085 1.00 23.00 H +ATOM 180 HG LEU L 11 -18.954 -3.099 17.317 1.00 27.83 H +ATOM 181 HD11 LEU L 11 -17.554 -1.960 18.990 1.00 25.58 H +ATOM 182 HD12 LEU L 11 -16.791 -3.450 18.385 1.00 25.58 H +ATOM 183 HD13 LEU L 11 -16.229 -1.864 17.805 1.00 25.58 H +ATOM 184 HD21 LEU L 11 -19.059 -0.638 17.549 1.00 25.77 H +ATOM 185 HD22 LEU L 11 -17.795 -0.470 16.308 1.00 25.77 H +ATOM 186 HD23 LEU L 11 -19.381 -1.153 15.876 1.00 25.77 H +ATOM 187 N LEU L 12 -17.597 -2.715 12.480 1.00 19.34 N +ATOM 188 CA LEU L 12 -16.703 -2.637 11.318 1.00 19.35 C +ATOM 189 C LEU L 12 -15.780 -1.445 11.537 1.00 21.97 C +ATOM 190 O LEU L 12 -16.233 -0.308 11.722 1.00 20.64 O +ATOM 191 CB LEU L 12 -17.482 -2.485 10.013 1.00 18.77 C +ATOM 192 CG LEU L 12 -16.712 -2.383 8.691 1.00 19.87 C +ATOM 193 CD1 LEU L 12 -15.994 -3.690 8.334 1.00 21.90 C +ATOM 194 CD2 LEU L 12 -17.668 -1.992 7.568 1.00 19.62 C +ATOM 195 H LEU L 12 -18.262 -1.965 12.603 1.00 19.34 H +ATOM 196 HA LEU L 12 -16.103 -3.546 11.270 1.00 19.35 H +ATOM 197 HB3 LEU L 12 -18.156 -1.632 10.099 1.00 18.77 H +ATOM 198 HB2 LEU L 12 -18.211 -3.292 9.938 1.00 18.77 H +ATOM 199 HG LEU L 12 -15.963 -1.598 8.791 1.00 19.87 H +ATOM 200 HD11 LEU L 12 -15.463 -3.567 7.390 1.00 21.90 H +ATOM 201 HD12 LEU L 12 -15.282 -3.941 9.121 1.00 21.90 H +ATOM 202 HD13 LEU L 12 -16.725 -4.492 8.237 1.00 21.90 H +ATOM 203 HD21 LEU L 12 -17.118 -1.920 6.630 1.00 19.62 H +ATOM 204 HD22 LEU L 12 -18.448 -2.748 7.474 1.00 19.62 H +ATOM 205 HD23 LEU L 12 -18.123 -1.028 7.796 1.00 19.62 H +ATOM 206 N VAL L 13 -14.482 -1.720 11.515 1.00 18.77 N +ATOM 207 CA VAL L 13 -13.487 -0.766 11.978 0.50 18.13 C +ATOM 208 C VAL L 13 -12.220 -0.855 11.116 1.00 20.01 C +ATOM 209 O VAL L 13 -11.806 -1.942 10.723 1.00 19.49 O +ATOM 210 CB VAL L 13 -13.205 -0.996 13.509 0.50 19.44 C +ATOM 211 CG1 VAL L 13 -12.636 -2.393 13.798 0.50 11.30 C +ATOM 212 CG2 VAL L 13 -12.337 0.085 14.102 0.50 22.94 C +ATOM 213 H VAL L 13 -14.161 -2.613 11.170 1.00 18.77 H +ATOM 214 HA VAL L 13 -13.902 0.235 11.861 1.00 18.13 H +ATOM 215 HB VAL L 13 -14.168 -0.939 14.017 1.00 19.44 H +ATOM 216 HG11 VAL L 13 -12.459 -2.500 14.868 1.00 11.30 H +ATOM 217 HG12 VAL L 13 -13.348 -3.151 13.470 1.00 11.30 H +ATOM 218 HG13 VAL L 13 -11.696 -2.521 13.261 1.00 11.30 H +ATOM 219 HG21 VAL L 13 -12.172 -0.120 15.160 1.00 22.94 H +ATOM 220 HG22 VAL L 13 -11.379 0.108 13.583 1.00 22.94 H +ATOM 221 HG23 VAL L 13 -12.832 1.050 13.992 1.00 22.94 H +ATOM 222 N SER L 14 -11.624 0.293 10.808 1.00 16.56 N +ATOM 223 CA SER L 14 -10.349 0.334 10.076 1.00 18.92 C +ATOM 224 C SER L 14 -9.207 0.137 11.072 1.00 19.94 C +ATOM 225 O SER L 14 -9.316 0.538 12.240 1.00 17.72 O +ATOM 226 CB SER L 14 -10.160 1.670 9.361 1.00 20.54 C +ATOM 227 OG SER L 14 -11.063 1.813 8.289 1.00 23.09 O +ATOM 228 H SER L 14 -12.047 1.170 11.078 1.00 16.56 H +ATOM 229 HA SER L 14 -10.329 -0.472 9.343 1.00 18.92 H +ATOM 230 HB3 SER L 14 -9.139 1.740 8.987 1.00 20.54 H +ATOM 231 HB2 SER L 14 -10.307 2.485 10.070 1.00 20.54 H +ATOM 232 HG SER L 14 -10.922 1.106 7.655 1.00 23.09 H +ATOM 233 N ALA L 15 -8.122 -0.496 10.626 1.00 21.99 N +ATOM 234 CA ALA L 15 -6.933 -0.627 11.461 1.00 22.90 C +ATOM 235 C ALA L 15 -6.519 0.769 11.926 1.00 21.83 C +ATOM 236 O ALA L 15 -6.447 1.702 11.121 1.00 21.39 O +ATOM 237 CB ALA L 15 -5.798 -1.298 10.688 1.00 24.88 C +ATOM 238 H ALA L 15 -8.115 -0.893 9.698 1.00 21.99 H +ATOM 239 HA ALA L 15 -7.176 -1.234 12.333 1.00 22.90 H +ATOM 240 HB1 ALA L 15 -4.922 -1.385 11.331 1.00 24.88 H +ATOM 241 HB2 ALA L 15 -6.113 -2.291 10.368 1.00 24.88 H +ATOM 242 HB3 ALA L 15 -5.548 -0.697 9.814 1.00 24.88 H +ATOM 243 N GLY L 16 -6.267 0.903 13.226 1.00 22.17 N +ATOM 244 CA GLY L 16 -5.950 2.194 13.833 1.00 23.42 C +ATOM 245 C GLY L 16 -7.099 2.837 14.597 1.00 26.68 C +ATOM 246 O GLY L 16 -6.866 3.730 15.432 1.00 28.67 O +ATOM 247 H GLY L 16 -6.291 0.095 13.831 1.00 22.17 H +ATOM 248 HA3 GLY L 16 -5.601 2.880 13.061 1.00 23.42 H +ATOM 249 HA2 GLY L 16 -5.094 2.080 14.498 1.00 23.42 H +ATOM 250 N ASP L 17 -8.333 2.417 14.310 1.00 21.98 N +ATOM 251 CA ASP L 17 -9.510 2.984 14.983 1.00 24.80 C +ATOM 252 C ASP L 17 -9.679 2.374 16.382 1.00 23.39 C +ATOM 253 O ASP L 17 -9.095 1.328 16.700 1.00 23.68 O +ATOM 254 CB ASP L 17 -10.817 2.741 14.208 1.00 22.46 C +ATOM 255 CG ASP L 17 -10.906 3.462 12.857 1.00 28.91 C +ATOM 256 OD1 ASP L 17 -10.159 4.427 12.566 1.00 25.19 O +ATOM 257 OD2 ASP L 17 -11.793 3.040 12.066 1.00 32.03 O +ATOM 258 H ASP L 17 -8.472 1.695 13.618 1.00 21.98 H +ATOM 259 HA ASP L 17 -9.364 4.059 15.089 1.00 24.80 H +ATOM 260 HB3 ASP L 17 -11.664 3.032 14.829 1.00 22.46 H +ATOM 261 HB2 ASP L 17 -10.952 1.670 14.055 1.00 22.46 H +ATOM 262 N LYS L 18 -10.513 3.015 17.196 1.00 23.78 N +ATOM 263 CA LYS L 18 -10.840 2.527 18.531 1.00 25.78 C +ATOM 264 C LYS L 18 -12.029 1.572 18.495 1.00 25.35 C +ATOM 265 O LYS L 18 -12.990 1.791 17.754 1.00 24.04 O +ATOM 266 CB LYS L 18 -11.162 3.703 19.450 1.00 27.58 C +ATOM 267 CG LYS L 18 -11.277 3.360 20.932 1.00 34.78 C +ATOM 268 CD LYS L 18 -11.628 4.614 21.723 1.00 41.08 C +ATOM 269 CE LYS L 18 -11.434 4.415 23.214 1.00 48.33 C +ATOM 270 NZ LYS L 18 -11.718 5.668 23.982 1.00 50.27 N +ATOM 271 H LYS L 18 -10.948 3.876 16.897 1.00 23.78 H +ATOM 272 HA LYS L 18 -9.976 1.996 18.931 1.00 25.78 H +ATOM 273 HB3 LYS L 18 -12.085 4.178 19.117 1.00 27.58 H +ATOM 274 HB2 LYS L 18 -10.410 4.480 19.317 1.00 27.58 H +ATOM 275 HG3 LYS L 18 -10.327 2.961 21.287 1.00 34.78 H +ATOM 276 HG2 LYS L 18 -12.057 2.612 21.072 1.00 34.78 H +ATOM 277 HD3 LYS L 18 -12.664 4.889 21.526 1.00 41.08 H +ATOM 278 HD2 LYS L 18 -11.006 5.443 21.384 1.00 41.08 H +ATOM 279 HE3 LYS L 18 -10.410 4.096 23.407 1.00 48.33 H +ATOM 280 HE2 LYS L 18 -12.092 3.619 23.562 1.00 48.33 H +ATOM 281 HZ1 LYS L 18 -11.974 5.432 24.930 1.00 50.27 H +ATOM 282 HZ2 LYS L 18 -10.894 6.251 23.992 1.00 50.27 H +ATOM 283 HZ3 LYS L 18 -12.478 6.168 23.543 1.00 50.27 H +ATOM 284 N VAL L 19 -11.960 0.528 19.317 1.00 22.44 N +ATOM 285 CA VAL L 19 -13.066 -0.401 19.490 1.00 23.50 C +ATOM 286 C VAL L 19 -13.546 -0.346 20.939 1.00 23.50 C +ATOM 287 O VAL L 19 -12.752 -0.495 21.865 1.00 22.55 O +ATOM 288 CB VAL L 19 -12.659 -1.850 19.129 1.00 22.14 C +ATOM 289 CG1 VAL L 19 -13.688 -2.845 19.648 1.00 24.14 C +ATOM 290 CG2 VAL L 19 -12.488 -2.011 17.626 1.00 23.94 C +ATOM 291 H VAL L 19 -11.118 0.358 19.848 1.00 22.44 H +ATOM 292 HA VAL L 19 -13.885 -0.095 18.839 1.00 23.50 H +ATOM 293 HB VAL L 19 -11.703 -2.066 19.607 1.00 22.14 H +ATOM 294 HG11 VAL L 19 -13.382 -3.857 19.383 1.00 24.14 H +ATOM 295 HG12 VAL L 19 -13.761 -2.760 20.732 1.00 24.14 H +ATOM 296 HG13 VAL L 19 -14.659 -2.631 19.201 1.00 24.14 H +ATOM 297 HG21 VAL L 19 -12.202 -3.038 17.400 1.00 23.94 H +ATOM 298 HG22 VAL L 19 -13.428 -1.778 17.126 1.00 23.94 H +ATOM 299 HG23 VAL L 19 -11.711 -1.332 17.273 1.00 23.94 H +ATOM 300 N THR L 20 -14.846 -0.130 21.122 1.00 25.47 N +ATOM 301 CA THR L 20 -15.455 -0.076 22.453 1.00 25.62 C +ATOM 302 C THR L 20 -16.632 -1.049 22.507 1.00 25.02 C +ATOM 303 O THR L 20 -17.617 -0.904 21.760 1.00 23.89 O +ATOM 304 CB THR L 20 -15.925 1.358 22.815 1.00 24.67 C +ATOM 305 OG1 THR L 20 -14.816 2.265 22.738 1.00 29.01 O +ATOM 306 CG2 THR L 20 -16.520 1.414 24.238 1.00 25.35 C +ATOM 307 H THR L 20 -15.453 0.004 20.326 1.00 25.47 H +ATOM 308 HA THR L 20 -14.712 -0.391 23.186 1.00 25.62 H +ATOM 309 HB THR L 20 -16.687 1.671 22.101 1.00 24.67 H +ATOM 310 HG1 THR L 20 -14.461 2.263 21.846 1.00 29.01 H +ATOM 311 HG21 THR L 20 -16.839 2.433 24.459 1.00 25.35 H +ATOM 312 HG22 THR L 20 -17.377 0.744 24.301 1.00 25.35 H +ATOM 313 HG23 THR L 20 -15.765 1.106 24.961 1.00 25.35 H +ATOM 314 N ILE L 21 -16.519 -2.037 23.386 1.00 22.54 N +ATOM 315 CA ILE L 21 -17.555 -3.052 23.566 1.00 22.66 C +ATOM 316 C ILE L 21 -18.067 -2.924 24.999 1.00 23.07 C +ATOM 317 O ILE L 21 -17.291 -2.689 25.925 1.00 24.44 O +ATOM 318 CB ILE L 21 -17.021 -4.485 23.289 1.00 23.42 C +ATOM 319 CG1 ILE L 21 -16.671 -4.664 21.808 1.00 25.25 C +ATOM 320 CG2 ILE L 21 -18.045 -5.557 23.713 1.00 27.10 C +ATOM 321 CD1 ILE L 21 -15.794 -5.900 21.541 1.00 24.02 C +ATOM 322 H ILE L 21 -15.693 -2.108 23.963 1.00 22.54 H +ATOM 323 HA ILE L 21 -18.375 -2.843 22.879 1.00 22.66 H +ATOM 324 HB ILE L 21 -16.113 -4.630 23.874 1.00 23.42 H +ATOM 325 HG13 ILE L 21 -16.159 -3.772 21.447 1.00 25.25 H +ATOM 326 HG12 ILE L 21 -17.589 -4.739 21.225 1.00 25.25 H +ATOM 327 HG21 ILE L 21 -17.641 -6.548 23.506 1.00 27.10 H +ATOM 328 HG22 ILE L 21 -18.249 -5.464 24.780 1.00 27.10 H +ATOM 329 HG23 ILE L 21 -18.970 -5.418 23.153 1.00 27.10 H +ATOM 330 HD11 ILE L 21 -15.581 -5.971 20.474 1.00 24.02 H +ATOM 331 HD12 ILE L 21 -14.858 -5.808 22.093 1.00 24.02 H +ATOM 332 HD13 ILE L 21 -16.321 -6.797 21.867 1.00 24.02 H +ATOM 333 N THR L 22 -19.380 -3.053 25.156 1.00 23.63 N +ATOM 334 CA THR L 22 -20.042 -2.931 26.446 1.00 24.90 C +ATOM 335 C THR L 22 -20.688 -4.247 26.853 1.00 28.05 C +ATOM 336 O THR L 22 -21.290 -4.947 26.039 1.00 24.27 O +ATOM 337 CB THR L 22 -21.105 -1.810 26.406 1.00 25.32 C +ATOM 338 OG1 THR L 22 -20.464 -0.587 26.044 1.00 26.26 O +ATOM 339 CG2 THR L 22 -21.803 -1.640 27.767 1.00 26.07 C +ATOM 340 H THR L 22 -19.968 -3.245 24.357 1.00 23.63 H +ATOM 341 HA THR L 22 -19.293 -2.669 27.194 1.00 24.90 H +ATOM 342 HB THR L 22 -21.852 -2.056 25.652 1.00 25.32 H +ATOM 343 HG1 THR L 22 -20.057 -0.682 25.180 1.00 26.26 H +ATOM 344 HG21 THR L 22 -22.543 -0.843 27.699 1.00 26.07 H +ATOM 345 HG22 THR L 22 -22.297 -2.572 28.041 1.00 26.07 H +ATOM 346 HG23 THR L 22 -21.063 -1.385 28.526 1.00 26.07 H +ATOM 347 N CYS L 23 -20.536 -4.582 28.126 1.00 28.29 N +ATOM 348 CA CYS L 23 -21.180 -5.748 28.689 1.00 25.73 C +ATOM 349 C CYS L 23 -21.947 -5.287 29.929 1.00 25.36 C +ATOM 350 O CYS L 23 -21.394 -4.619 30.802 1.00 25.78 O +ATOM 351 CB CYS L 23 -20.129 -6.825 28.990 1.00 31.35 C +ATOM 352 SG CYS L 23 -20.760 -8.326 29.709 1.00 40.06 S +ATOM 353 H CYS L 23 -19.958 -4.017 28.731 1.00 28.29 H +ATOM 354 HA CYS L 23 -21.890 -6.143 27.963 1.00 25.73 H +ATOM 355 HB3 CYS L 23 -19.362 -6.408 29.643 1.00 31.35 H +ATOM 356 HB2 CYS L 23 -19.586 -7.064 28.076 1.00 31.35 H +ATOM 357 N LYS L 24 -23.235 -5.606 29.969 1.00 24.07 N +ATOM 358 CA LYS L 24 -24.096 -5.243 31.093 1.00 28.33 C +ATOM 359 C LYS L 24 -24.712 -6.471 31.764 1.00 28.49 C +ATOM 360 O LYS L 24 -25.368 -7.288 31.113 1.00 27.75 O +ATOM 361 CB LYS L 24 -25.185 -4.259 30.654 1.00 29.67 C +ATOM 362 CG LYS L 24 -24.664 -2.851 30.377 1.00 31.21 C +ATOM 363 CD LYS L 24 -25.791 -1.918 29.987 1.00 36.38 C +ATOM 364 CE LYS L 24 -25.266 -0.543 29.623 1.00 37.01 C +ATOM 365 NZ LYS L 24 -26.397 0.406 29.405 1.00 39.59 N +ATOM 366 H LYS L 24 -23.653 -6.118 29.205 1.00 24.07 H +ATOM 367 HA LYS L 24 -23.476 -4.739 31.834 1.00 28.33 H +ATOM 368 HB3 LYS L 24 -25.961 -4.214 31.418 1.00 29.67 H +ATOM 369 HB2 LYS L 24 -25.681 -4.643 29.763 1.00 29.67 H +ATOM 370 HG3 LYS L 24 -23.929 -2.888 29.573 1.00 31.21 H +ATOM 371 HG2 LYS L 24 -24.166 -2.467 31.267 1.00 31.21 H +ATOM 372 HD3 LYS L 24 -26.493 -1.831 30.816 1.00 36.38 H +ATOM 373 HD2 LYS L 24 -26.331 -2.337 29.138 1.00 36.38 H +ATOM 374 HE3 LYS L 24 -24.669 -0.611 28.714 1.00 37.01 H +ATOM 375 HE2 LYS L 24 -24.631 -0.172 30.428 1.00 37.01 H +ATOM 376 HZ1 LYS L 24 -26.945 0.477 30.250 1.00 39.59 H +ATOM 377 HZ2 LYS L 24 -26.032 1.316 29.164 1.00 39.59 H +ATOM 378 HZ3 LYS L 24 -26.981 0.068 28.653 1.00 39.59 H +ATOM 379 N ALA L 25 -24.485 -6.591 33.070 1.00 24.81 N +ATOM 380 CA ALA L 25 -25.041 -7.678 33.864 1.00 22.29 C +ATOM 381 C ALA L 25 -26.427 -7.304 34.423 1.00 21.75 C +ATOM 382 O ALA L 25 -26.674 -6.153 34.803 1.00 23.47 O +ATOM 383 CB ALA L 25 -24.092 -8.037 34.977 1.00 22.88 C +ATOM 384 H ALA L 25 -23.908 -5.913 33.547 1.00 24.81 H +ATOM 385 HA ALA L 25 -25.156 -8.549 33.219 1.00 22.29 H +ATOM 386 HB1 ALA L 25 -24.514 -8.851 35.567 1.00 22.88 H +ATOM 387 HB2 ALA L 25 -23.138 -8.352 34.554 1.00 22.88 H +ATOM 388 HB3 ALA L 25 -23.936 -7.168 35.617 1.00 22.88 H +ATOM 389 N SER L 26 -27.326 -8.285 34.447 1.00 21.21 N +ATOM 390 CA SER L 26 -28.688 -8.106 34.964 1.00 23.24 C +ATOM 391 C SER L 26 -28.739 -7.877 36.479 1.00 23.67 C +ATOM 392 O SER L 26 -29.754 -7.424 37.025 1.00 22.75 O +ATOM 393 CB SER L 26 -29.565 -9.298 34.570 1.00 25.03 C +ATOM 394 OG SER L 26 -29.085 -10.508 35.133 1.00 24.37 O +ATOM 395 H SER L 26 -27.083 -9.202 34.099 1.00 21.21 H +ATOM 396 HA SER L 26 -29.106 -7.220 34.485 1.00 23.24 H +ATOM 397 HB3 SER L 26 -29.589 -9.388 33.484 1.00 25.03 H +ATOM 398 HB2 SER L 26 -30.587 -9.123 34.905 1.00 25.03 H +ATOM 399 HG SER L 26 -29.494 -10.647 35.991 1.00 24.37 H +ATOM 400 N GLN L 27 -27.651 -8.214 37.164 1.00 21.75 N +ATOM 401 CA GLN L 27 -27.490 -7.880 38.567 1.00 26.04 C +ATOM 402 C GLN L 27 -26.000 -7.772 38.833 1.00 24.82 C +ATOM 403 O GLN L 27 -25.199 -8.192 38.005 1.00 21.22 O +ATOM 404 CB GLN L 27 -28.147 -8.934 39.461 1.00 29.41 C +ATOM 405 CG GLN L 27 -27.493 -10.299 39.395 1.00 31.49 C +ATOM 406 CD GLN L 27 -28.210 -11.320 40.235 1.00 33.46 C +ATOM 407 OE1 GLN L 27 -29.250 -11.849 39.840 1.00 35.78 O +ATOM 408 NE2 GLN L 27 -27.651 -11.615 41.403 1.00 33.32 N +ATOM 409 H GLN L 27 -26.904 -8.718 36.709 1.00 21.75 H +ATOM 410 HA GLN L 27 -27.956 -6.913 38.757 1.00 26.04 H +ATOM 411 HB3 GLN L 27 -29.201 -9.025 39.197 1.00 29.41 H +ATOM 412 HB2 GLN L 27 -28.147 -8.583 40.493 1.00 29.41 H +ATOM 413 HG3 GLN L 27 -26.457 -10.221 39.725 1.00 31.49 H +ATOM 414 HG2 GLN L 27 -27.464 -10.637 38.359 1.00 31.49 H +ATOM 415 HE22 GLN L 27 -28.084 -12.293 42.013 1.00 33.32 H +ATOM 416 HE21 GLN L 27 -26.793 -11.161 41.681 1.00 33.32 H +ATOM 417 N SER L 28 -25.633 -7.203 39.977 1.00 24.60 N +ATOM 418 CA SER L 28 -24.236 -6.927 40.256 1.00 23.87 C +ATOM 419 C SER L 28 -23.399 -8.198 40.159 1.00 22.69 C +ATOM 420 O SER L 28 -23.776 -9.248 40.685 1.00 22.79 O +ATOM 421 CB SER L 28 -24.050 -6.300 41.628 1.00 25.84 C +ATOM 422 OG SER L 28 -22.684 -5.989 41.808 1.00 23.34 O +ATOM 423 H SER L 28 -26.330 -6.957 40.665 1.00 24.60 H +ATOM 424 HA SER L 28 -23.873 -6.222 39.508 1.00 23.87 H +ATOM 425 HB3 SER L 28 -24.366 -7.006 42.396 1.00 25.84 H +ATOM 426 HB2 SER L 28 -24.642 -5.387 41.693 1.00 25.84 H +ATOM 427 HG SER L 28 -22.404 -5.371 41.129 1.00 23.34 H +ATOM 428 N VAL L 29 -22.275 -8.095 39.463 1.00 19.80 N +ATOM 429 CA VAL L 29 -21.303 -9.195 39.469 1.00 19.16 C +ATOM 430 C VAL L 29 -19.950 -8.780 40.065 1.00 19.97 C +ATOM 431 O VAL L 29 -18.925 -9.403 39.767 1.00 20.92 O +ATOM 432 CB VAL L 29 -21.125 -9.866 38.075 1.00 22.57 C +ATOM 433 CG1 VAL L 29 -22.450 -10.491 37.593 1.00 21.26 C +ATOM 434 CG2 VAL L 29 -20.515 -8.897 37.040 1.00 17.31 C +ATOM 435 H VAL L 29 -22.087 -7.259 38.928 1.00 19.80 H +ATOM 436 HA VAL L 29 -21.709 -9.961 40.130 1.00 19.16 H +ATOM 437 HB VAL L 29 -20.415 -10.683 38.203 1.00 22.57 H +ATOM 438 HG11 VAL L 29 -22.300 -10.954 36.617 1.00 21.26 H +ATOM 439 HG12 VAL L 29 -22.776 -11.247 38.307 1.00 21.26 H +ATOM 440 HG13 VAL L 29 -23.211 -9.715 37.514 1.00 21.26 H +ATOM 441 HG21 VAL L 29 -20.409 -9.407 36.083 1.00 17.31 H +ATOM 442 HG22 VAL L 29 -21.169 -8.033 36.920 1.00 17.31 H +ATOM 443 HG23 VAL L 29 -19.536 -8.565 37.385 1.00 17.31 H +ATOM 444 N SER L 30 -19.968 -7.746 40.913 1.00 17.49 N +ATOM 445 CA SER L 30 -18.754 -7.189 41.525 1.00 16.63 C +ATOM 446 C SER L 30 -17.729 -6.936 40.415 1.00 20.70 C +ATOM 447 O SER L 30 -18.041 -6.286 39.411 1.00 19.49 O +ATOM 448 CB SER L 30 -18.225 -8.161 42.612 1.00 17.89 C +ATOM 449 OG SER L 30 -17.167 -7.596 43.373 1.00 19.37 O +ATOM 450 H SER L 30 -20.845 -7.311 41.160 1.00 17.49 H +ATOM 451 HA SER L 30 -19.003 -6.238 41.996 1.00 16.63 H +ATOM 452 HB3 SER L 30 -17.880 -9.081 42.139 1.00 17.89 H +ATOM 453 HB2 SER L 30 -19.042 -8.439 43.278 1.00 17.89 H +ATOM 454 HG SER L 30 -17.181 -7.960 44.261 1.00 19.37 H +ATOM 455 N ASN L 31 -16.530 -7.489 40.560 1.00 20.14 N +ATOM 456 CA ASN L 31 -15.540 -7.400 39.510 1.00 19.17 C +ATOM 457 C ASN L 31 -15.267 -8.743 38.812 1.00 21.87 C +ATOM 458 O ASN L 31 -14.262 -8.887 38.123 1.00 24.31 O +ATOM 459 CB ASN L 31 -14.254 -6.741 40.038 1.00 20.78 C +ATOM 460 CG ASN L 31 -13.574 -7.558 41.132 1.00 22.93 C +ATOM 461 OD1 ASN L 31 -14.201 -8.396 41.792 1.00 21.49 O +ATOM 462 ND2 ASN L 31 -12.281 -7.322 41.322 1.00 23.53 N +ATOM 463 H ASN L 31 -16.300 -7.980 41.412 1.00 20.14 H +ATOM 464 HA ASN L 31 -15.947 -6.730 38.752 1.00 19.17 H +ATOM 465 HB3 ASN L 31 -14.487 -5.747 40.420 1.00 20.78 H +ATOM 466 HB2 ASN L 31 -13.558 -6.592 39.212 1.00 20.78 H +ATOM 467 HD22 ASN L 31 -11.774 -7.831 42.032 1.00 23.53 H +ATOM 468 HD21 ASN L 31 -11.805 -6.634 40.757 1.00 23.53 H +ATOM 469 N ASP L 32 -16.171 -9.716 38.982 1.00 20.76 N +ATOM 470 CA ASP L 32 -15.960 -11.071 38.452 1.00 21.33 C +ATOM 471 C ASP L 32 -16.323 -11.157 36.981 1.00 22.48 C +ATOM 472 O ASP L 32 -17.269 -11.844 36.598 1.00 20.67 O +ATOM 473 CB ASP L 32 -16.756 -12.094 39.254 1.00 23.95 C +ATOM 474 CG ASP L 32 -16.141 -12.377 40.615 1.00 22.22 C +ATOM 475 OD1 ASP L 32 -14.906 -12.192 40.785 1.00 21.94 O +ATOM 476 OD2 ASP L 32 -16.893 -12.801 41.508 1.00 22.75 O +ATOM 477 H ASP L 32 -17.026 -9.529 39.486 1.00 20.76 H +ATOM 478 HA ASP L 32 -14.902 -11.312 38.553 1.00 21.33 H +ATOM 479 HB3 ASP L 32 -16.826 -13.023 38.688 1.00 23.95 H +ATOM 480 HB2 ASP L 32 -17.777 -11.736 39.385 1.00 23.95 H +ATOM 481 N LEU L 33 -15.579 -10.426 36.169 1.00 20.04 N +ATOM 482 CA LEU L 33 -15.890 -10.319 34.763 1.00 20.33 C +ATOM 483 C LEU L 33 -14.640 -10.530 33.932 1.00 21.97 C +ATOM 484 O LEU L 33 -13.598 -9.915 34.173 1.00 19.45 O +ATOM 485 CB LEU L 33 -16.577 -8.979 34.448 1.00 23.52 C +ATOM 486 CG LEU L 33 -17.238 -9.017 33.066 1.00 24.78 C +ATOM 487 CD1 LEU L 33 -18.645 -8.528 33.062 1.00 33.76 C +ATOM 488 CD2 LEU L 33 -16.380 -8.345 32.018 1.00 24.46 C +ATOM 489 H LEU L 33 -14.776 -9.930 36.529 1.00 20.04 H +ATOM 490 HA LEU L 33 -16.591 -11.117 34.517 1.00 20.33 H +ATOM 491 HB3 LEU L 33 -15.839 -8.177 34.475 1.00 23.52 H +ATOM 492 HB2 LEU L 33 -17.332 -8.771 35.206 1.00 23.52 H +ATOM 493 HG LEU L 33 -17.285 -10.069 32.785 1.00 24.78 H +ATOM 494 HD11 LEU L 33 -19.047 -8.584 32.050 1.00 33.76 H +ATOM 495 HD12 LEU L 33 -19.247 -9.147 33.727 1.00 33.76 H +ATOM 496 HD13 LEU L 33 -18.672 -7.494 33.406 1.00 33.76 H +ATOM 497 HD21 LEU L 33 -16.882 -8.392 31.052 1.00 24.46 H +ATOM 498 HD22 LEU L 33 -16.219 -7.303 32.293 1.00 24.46 H +ATOM 499 HD23 LEU L 33 -15.419 -8.855 31.953 1.00 24.46 H +ATOM 500 N THR L 34 -14.778 -11.410 32.942 1.00 19.39 N +ATOM 501 CA THR L 34 -13.680 -11.872 32.123 1.00 19.32 C +ATOM 502 C THR L 34 -14.020 -11.550 30.675 1.00 17.11 C +ATOM 503 O THR L 34 -15.186 -11.627 30.280 1.00 20.33 O +ATOM 504 CB THR L 34 -13.520 -13.406 32.281 1.00 20.58 C +ATOM 505 OG1 THR L 34 -13.315 -13.730 33.666 1.00 19.86 O +ATOM 506 CG2 THR L 34 -12.351 -13.934 31.478 1.00 22.31 C +ATOM 507 H THR L 34 -15.688 -11.792 32.729 1.00 19.39 H +ATOM 508 HA THR L 34 -12.758 -11.367 32.413 1.00 19.32 H +ATOM 509 HB THR L 34 -14.432 -13.893 31.937 1.00 20.58 H +ATOM 510 HG1 THR L 34 -14.070 -13.434 34.180 1.00 19.86 H +ATOM 511 HG21 THR L 34 -12.273 -15.012 31.615 1.00 22.31 H +ATOM 512 HG22 THR L 34 -12.506 -13.713 30.422 1.00 22.31 H +ATOM 513 HG23 THR L 34 -11.431 -13.457 31.818 1.00 22.31 H +ATOM 514 N TRP L 35 -13.008 -11.160 29.908 1.00 15.81 N +ATOM 515 CA TRP L 35 -13.161 -10.959 28.467 1.00 16.83 C +ATOM 516 C TRP L 35 -12.275 -11.947 27.711 1.00 19.35 C +ATOM 517 O TRP L 35 -11.084 -12.078 28.016 1.00 21.62 O +ATOM 518 CB TRP L 35 -12.760 -9.538 28.076 1.00 18.18 C +ATOM 519 CG TRP L 35 -13.680 -8.459 28.583 1.00 16.90 C +ATOM 520 CD1 TRP L 35 -13.539 -7.718 29.719 1.00 20.11 C +ATOM 521 CD2 TRP L 35 -14.875 -8.005 27.946 1.00 21.34 C +ATOM 522 NE1 TRP L 35 -14.575 -6.815 29.828 1.00 22.69 N +ATOM 523 CE2 TRP L 35 -15.414 -6.977 28.753 1.00 20.83 C +ATOM 524 CE3 TRP L 35 -15.531 -8.352 26.754 1.00 23.64 C +ATOM 525 CZ2 TRP L 35 -16.590 -6.295 28.412 1.00 22.58 C +ATOM 526 CZ3 TRP L 35 -16.712 -7.675 26.413 1.00 20.44 C +ATOM 527 CH2 TRP L 35 -17.217 -6.649 27.239 1.00 19.34 C +ATOM 528 H TRP L 35 -12.100 -10.993 30.317 1.00 15.81 H +ATOM 529 HA TRP L 35 -14.202 -11.127 28.190 1.00 16.83 H +ATOM 530 HB3 TRP L 35 -12.687 -9.469 26.991 1.00 18.18 H +ATOM 531 HB2 TRP L 35 -11.746 -9.341 28.424 1.00 18.18 H +ATOM 532 HD1 TRP L 35 -12.699 -7.891 30.376 1.00 20.11 H +ATOM 533 HE1 TRP L 35 -14.612 -6.182 30.614 1.00 22.69 H +ATOM 534 HE3 TRP L 35 -15.125 -9.126 26.120 1.00 23.64 H +ATOM 535 HZ2 TRP L 35 -16.974 -5.522 29.061 1.00 22.58 H +ATOM 536 HZ3 TRP L 35 -17.244 -7.938 25.510 1.00 20.44 H +ATOM 537 HH2 TRP L 35 -18.117 -6.137 26.932 1.00 19.34 H +ATOM 538 N TYR L 36 -12.868 -12.602 26.713 1.00 19.74 N +ATOM 539 CA TYR L 36 -12.184 -13.545 25.832 1.00 19.42 C +ATOM 540 C TYR L 36 -12.257 -13.079 24.389 1.00 19.74 C +ATOM 541 O TYR L 36 -13.193 -12.375 23.996 1.00 19.91 O +ATOM 542 CB TYR L 36 -12.860 -14.918 25.850 1.00 18.29 C +ATOM 543 CG TYR L 36 -12.920 -15.609 27.181 1.00 20.74 C +ATOM 544 CD1 TYR L 36 -14.055 -15.501 27.990 1.00 19.25 C +ATOM 545 CD2 TYR L 36 -11.871 -16.413 27.608 1.00 20.08 C +ATOM 546 CE1 TYR L 36 -14.125 -16.159 29.196 1.00 20.82 C +ATOM 547 CE2 TYR L 36 -11.934 -17.081 28.820 1.00 20.03 C +ATOM 548 CZ TYR L 36 -13.056 -16.947 29.608 1.00 21.27 C +ATOM 549 OH TYR L 36 -13.113 -17.610 30.821 1.00 19.72 O +ATOM 550 H TYR L 36 -13.851 -12.459 26.529 1.00 19.74 H +ATOM 551 HA TYR L 36 -11.142 -13.643 26.135 1.00 19.42 H +ATOM 552 HB3 TYR L 36 -12.368 -15.570 25.128 1.00 18.29 H +ATOM 553 HB2 TYR L 36 -13.868 -14.827 25.446 1.00 18.29 H +ATOM 554 HD1 TYR L 36 -14.890 -14.896 27.670 1.00 19.25 H +ATOM 555 HD2 TYR L 36 -10.991 -16.524 26.992 1.00 20.08 H +ATOM 556 HE1 TYR L 36 -15.005 -16.061 29.814 1.00 20.82 H +ATOM 557 HE2 TYR L 36 -11.108 -17.700 29.139 1.00 20.03 H +ATOM 558 HH TYR L 36 -13.990 -17.511 31.199 1.00 19.72 H +ATOM 559 N GLN L 37 -11.252 -13.486 23.623 1.00 20.31 N +ATOM 560 CA GLN L 37 -11.125 -13.210 22.202 1.00 17.56 C +ATOM 561 C GLN L 37 -11.176 -14.550 21.491 1.00 20.53 C +ATOM 562 O GLN L 37 -10.401 -15.453 21.817 1.00 22.40 O +ATOM 563 CB GLN L 37 -9.766 -12.589 21.909 1.00 16.33 C +ATOM 564 CG GLN L 37 -9.511 -12.276 20.402 1.00 16.33 C +ATOM 565 CD GLN L 37 -8.050 -11.863 20.209 1.00 23.13 C +ATOM 566 OE1 GLN L 37 -7.125 -12.611 20.568 1.00 23.00 O +ATOM 567 NE2 GLN L 37 -7.840 -10.662 19.688 1.00 21.34 N +ATOM 568 H GLN L 37 -10.501 -14.030 24.022 1.00 20.31 H +ATOM 569 HA GLN L 37 -11.930 -12.559 21.860 1.00 17.56 H +ATOM 570 HB3 GLN L 37 -8.981 -13.248 22.279 1.00 16.33 H +ATOM 571 HB2 GLN L 37 -9.654 -11.675 22.492 1.00 16.33 H +ATOM 572 HG3 GLN L 37 -10.163 -11.462 20.085 1.00 16.33 H +ATOM 573 HG2 GLN L 37 -9.719 -13.165 19.806 1.00 16.33 H +ATOM 574 HE22 GLN L 37 -6.896 -10.335 19.537 1.00 21.34 H +ATOM 575 HE21 GLN L 37 -8.624 -10.074 19.442 1.00 21.34 H +ATOM 576 N GLN L 38 -12.045 -14.679 20.495 1.00 21.64 N +ATOM 577 CA GLN L 38 -12.083 -15.918 19.719 1.00 19.51 C +ATOM 578 C GLN L 38 -11.897 -15.634 18.227 1.00 20.26 C +ATOM 579 O GLN L 38 -12.821 -15.155 17.564 1.00 19.10 O +ATOM 580 CB GLN L 38 -13.407 -16.661 19.935 1.00 22.08 C +ATOM 581 CG GLN L 38 -13.469 -18.004 19.158 1.00 23.65 C +ATOM 582 CD GLN L 38 -14.690 -18.830 19.544 1.00 24.24 C +ATOM 583 OE1 GLN L 38 -15.774 -18.289 19.767 1.00 28.47 O +ATOM 584 NE2 GLN L 38 -14.506 -20.137 19.659 1.00 24.31 N +ATOM 585 H GLN L 38 -12.677 -13.923 20.275 1.00 21.64 H +ATOM 586 HA GLN L 38 -11.268 -16.560 20.053 1.00 19.51 H +ATOM 587 HB3 GLN L 38 -14.235 -16.024 19.624 1.00 22.08 H +ATOM 588 HB2 GLN L 38 -13.546 -16.851 20.999 1.00 22.08 H +ATOM 589 HG3 GLN L 38 -12.565 -18.579 19.356 1.00 23.65 H +ATOM 590 HG2 GLN L 38 -13.491 -17.803 18.087 1.00 23.65 H +ATOM 591 HE22 GLN L 38 -15.279 -20.735 19.913 1.00 24.31 H +ATOM 592 HE21 GLN L 38 -13.593 -20.535 19.493 1.00 24.31 H +ATOM 593 N LYS L 39 -10.704 -15.949 17.728 1.00 21.70 N +ATOM 594 CA LYS L 39 -10.345 -15.751 16.322 1.00 22.00 C +ATOM 595 C LYS L 39 -10.955 -16.886 15.502 1.00 23.10 C +ATOM 596 O LYS L 39 -11.240 -17.955 16.050 1.00 26.96 O +ATOM 597 CB LYS L 39 -8.822 -15.668 16.160 1.00 21.51 C +ATOM 598 CG LYS L 39 -8.191 -14.482 16.935 1.00 23.80 C +ATOM 599 CD LYS L 39 -6.753 -14.245 16.538 1.00 24.16 C +ATOM 600 CE LYS L 39 -6.184 -13.070 17.313 1.00 26.18 C +ATOM 601 NZ LYS L 39 -4.742 -12.845 17.017 1.00 25.11 N +ATOM 602 H LYS L 39 -9.994 -16.345 18.328 1.00 21.70 H +ATOM 603 HA LYS L 39 -10.779 -14.810 15.985 1.00 22.00 H +ATOM 604 HB3 LYS L 39 -8.575 -15.582 15.102 1.00 21.51 H +ATOM 605 HB2 LYS L 39 -8.371 -16.601 16.497 1.00 21.51 H +ATOM 606 HG3 LYS L 39 -8.244 -14.680 18.006 1.00 23.80 H +ATOM 607 HG2 LYS L 39 -8.772 -13.578 16.750 1.00 23.80 H +ATOM 608 HD3 LYS L 39 -6.701 -14.035 15.470 1.00 24.16 H +ATOM 609 HD2 LYS L 39 -6.166 -15.138 16.750 1.00 24.16 H +ATOM 610 HE3 LYS L 39 -6.312 -13.244 18.381 1.00 26.18 H +ATOM 611 HE2 LYS L 39 -6.748 -12.169 17.072 1.00 26.18 H +ATOM 612 HZ1 LYS L 39 -4.626 -12.656 16.032 1.00 25.11 H +ATOM 613 HZ2 LYS L 39 -4.407 -12.057 17.552 1.00 25.11 H +ATOM 614 HZ3 LYS L 39 -4.214 -13.669 17.266 1.00 25.11 H +ATOM 615 N PRO L 40 -11.198 -16.652 14.195 1.00 27.61 N +ATOM 616 CA PRO L 40 -11.862 -17.658 13.347 1.00 28.13 C +ATOM 617 C PRO L 40 -11.235 -19.045 13.477 1.00 29.58 C +ATOM 618 O PRO L 40 -10.014 -19.177 13.375 1.00 28.45 O +ATOM 619 CB PRO L 40 -11.654 -17.098 11.927 1.00 27.98 C +ATOM 620 CG PRO L 40 -11.621 -15.632 12.130 1.00 24.32 C +ATOM 621 CD PRO L 40 -10.902 -15.414 13.443 1.00 27.01 C +ATOM 622 HA PRO L 40 -12.926 -17.703 13.581 1.00 28.13 H +ATOM 623 HB3 PRO L 40 -12.513 -17.357 11.308 1.00 27.98 H +ATOM 624 HB2 PRO L 40 -10.688 -17.431 11.546 1.00 27.98 H +ATOM 625 HG3 PRO L 40 -12.640 -15.254 12.209 1.00 24.32 H +ATOM 626 HG2 PRO L 40 -11.052 -15.168 11.324 1.00 24.32 H +ATOM 627 HD2 PRO L 40 -9.829 -15.352 13.260 1.00 27.01 H +ATOM 628 HD3 PRO L 40 -11.347 -14.564 13.960 1.00 27.01 H +ATOM 629 N GLY L 41 -12.063 -20.049 13.765 1.00 27.94 N +ATOM 630 CA GLY L 41 -11.624 -21.443 13.854 1.00 32.90 C +ATOM 631 C GLY L 41 -10.686 -21.749 15.010 1.00 32.86 C +ATOM 632 O GLY L 41 -9.936 -22.725 14.966 1.00 37.21 O +ATOM 633 H GLY L 41 -13.042 -19.864 13.933 1.00 27.94 H +ATOM 634 HA3 GLY L 41 -11.148 -21.731 12.917 1.00 32.90 H +ATOM 635 HA2 GLY L 41 -12.497 -22.093 13.916 1.00 32.90 H +ATOM 636 N GLN L 42 -10.710 -20.897 16.034 1.00 27.45 N +ATOM 637 CA GLN L 42 -9.922 -21.106 17.238 0.50 19.83 C +ATOM 638 C GLN L 42 -10.826 -21.189 18.464 1.00 21.71 C +ATOM 639 O GLN L 42 -12.015 -20.851 18.435 1.00 26.47 O +ATOM 640 CB GLN L 42 -8.884 -19.982 17.434 0.50 19.25 C +ATOM 641 CG GLN L 42 -7.760 -19.929 16.387 0.50 19.48 C +ATOM 642 CD GLN L 42 -6.643 -18.952 16.741 0.50 17.86 C +ATOM 643 OE1 GLN L 42 -6.664 -18.305 17.780 0.50 18.28 O +ATOM 644 NE2 GLN L 42 -5.660 -18.850 15.869 0.50 19.36 N +ATOM 645 H GLN L 42 -11.290 -20.071 15.990 1.00 27.45 H +ATOM 646 HA GLN L 42 -9.389 -22.052 17.140 1.00 19.83 H +ATOM 647 HB3 GLN L 42 -8.446 -20.066 18.429 1.00 19.25 H +ATOM 648 HB2 GLN L 42 -9.396 -19.020 17.462 1.00 19.25 H +ATOM 649 HG3 GLN L 42 -8.181 -19.662 15.418 1.00 19.48 H +ATOM 650 HG2 GLN L 42 -7.340 -20.926 16.256 1.00 19.48 H +ATOM 651 HE22 GLN L 42 -4.891 -18.220 16.046 1.00 19.36 H +ATOM 652 HE21 GLN L 42 -5.676 -19.402 15.023 1.00 19.36 H +ATOM 653 N SER L 43 -10.232 -21.663 19.549 1.00 21.71 N +ATOM 654 CA SER L 43 -10.891 -21.688 20.835 0.50 21.40 C +ATOM 655 C SER L 43 -10.746 -20.288 21.452 1.00 23.78 C +ATOM 656 O SER L 43 -9.846 -19.521 21.056 1.00 23.82 O +ATOM 657 CB SER L 43 -10.241 -22.747 21.728 0.50 19.31 C +ATOM 658 OG SER L 43 -10.177 -24.001 21.063 0.50 16.70 O +ATOM 659 H SER L 43 -9.290 -22.022 19.493 1.00 21.71 H +ATOM 660 HA SER L 43 -11.947 -21.921 20.700 1.00 21.40 H +ATOM 661 HB3 SER L 43 -10.819 -22.852 22.646 1.00 19.31 H +ATOM 662 HB2 SER L 43 -9.234 -22.427 21.997 1.00 19.31 H +ATOM 663 HG SER L 43 -10.146 -24.707 21.713 1.00 16.70 H +ATOM 664 N PRO L 44 -11.632 -19.932 22.406 1.00 22.70 N +ATOM 665 CA PRO L 44 -11.479 -18.604 22.997 1.00 23.91 C +ATOM 666 C PRO L 44 -10.139 -18.454 23.713 1.00 25.49 C +ATOM 667 O PRO L 44 -9.577 -19.444 24.181 1.00 26.97 O +ATOM 668 CB PRO L 44 -12.629 -18.534 24.005 1.00 23.80 C +ATOM 669 CG PRO L 44 -13.642 -19.524 23.483 1.00 26.29 C +ATOM 670 CD PRO L 44 -12.801 -20.636 22.956 1.00 23.23 C +ATOM 671 HA PRO L 44 -11.592 -17.833 22.235 1.00 23.91 H +ATOM 672 HB3 PRO L 44 -13.061 -17.534 23.990 1.00 23.80 H +ATOM 673 HB2 PRO L 44 -12.273 -18.863 24.982 1.00 23.80 H +ATOM 674 HG3 PRO L 44 -14.197 -19.072 22.661 1.00 26.29 H +ATOM 675 HG2 PRO L 44 -14.247 -19.892 24.312 1.00 26.29 H +ATOM 676 HD2 PRO L 44 -12.482 -21.269 23.784 1.00 23.23 H +ATOM 677 HD3 PRO L 44 -13.333 -21.136 22.147 1.00 23.23 H +ATOM 678 N LYS L 45 -9.634 -17.225 23.756 1.00 20.79 N +ATOM 679 CA LYS L 45 -8.380 -16.884 24.442 1.00 23.02 C +ATOM 680 C LYS L 45 -8.664 -15.828 25.510 1.00 22.39 C +ATOM 681 O LYS L 45 -9.270 -14.788 25.232 1.00 21.71 O +ATOM 682 CB LYS L 45 -7.359 -16.345 23.434 1.00 24.82 C +ATOM 683 CG LYS L 45 -6.074 -15.768 24.047 1.00 29.21 C +ATOM 684 CD LYS L 45 -5.229 -15.047 22.996 1.00 30.25 C +ATOM 685 CE LYS L 45 -4.055 -14.324 23.640 1.00 36.60 C +ATOM 686 NZ LYS L 45 -3.050 -13.857 22.633 1.00 42.03 N +ATOM 687 H LYS L 45 -10.118 -16.464 23.301 1.00 20.79 H +ATOM 688 HA LYS L 45 -7.977 -17.778 24.919 1.00 23.02 H +ATOM 689 HB3 LYS L 45 -7.833 -15.586 22.811 1.00 24.82 H +ATOM 690 HB2 LYS L 45 -7.099 -17.134 22.728 1.00 24.82 H +ATOM 691 HG3 LYS L 45 -5.490 -16.574 24.491 1.00 29.21 H +ATOM 692 HG2 LYS L 45 -6.333 -15.071 24.844 1.00 29.21 H +ATOM 693 HD3 LYS L 45 -5.850 -14.327 22.463 1.00 30.25 H +ATOM 694 HD2 LYS L 45 -4.856 -15.771 22.271 1.00 30.25 H +ATOM 695 HE3 LYS L 45 -3.569 -14.987 24.356 1.00 36.60 H +ATOM 696 HE2 LYS L 45 -4.423 -13.469 24.208 1.00 36.60 H +ATOM 697 HZ1 LYS L 45 -2.392 -13.233 23.078 1.00 42.03 H +ATOM 698 HZ2 LYS L 45 -2.556 -14.653 22.256 1.00 42.03 H +ATOM 699 HZ3 LYS L 45 -3.523 -13.370 21.886 1.00 42.03 H +ATOM 700 N LEU L 46 -8.210 -16.089 26.729 1.00 19.20 N +ATOM 701 CA LEU L 46 -8.366 -15.136 27.828 1.00 22.61 C +ATOM 702 C LEU L 46 -7.547 -13.839 27.664 1.00 23.51 C +ATOM 703 O LEU L 46 -6.314 -13.871 27.539 1.00 21.12 O +ATOM 704 CB LEU L 46 -7.988 -15.824 29.147 1.00 20.65 C +ATOM 705 CG LEU L 46 -7.847 -14.947 30.400 1.00 25.32 C +ATOM 706 CD1 LEU L 46 -9.185 -14.350 30.752 1.00 26.18 C +ATOM 707 CD2 LEU L 46 -7.281 -15.765 31.561 1.00 28.84 C +ATOM 708 H LEU L 46 -7.743 -16.964 26.917 1.00 19.20 H +ATOM 709 HA LEU L 46 -9.419 -14.861 27.885 1.00 22.61 H +ATOM 710 HB3 LEU L 46 -7.069 -16.392 29.003 1.00 20.65 H +ATOM 711 HB2 LEU L 46 -8.700 -16.624 29.349 1.00 20.65 H +ATOM 712 HG LEU L 46 -7.154 -14.136 30.178 1.00 25.32 H +ATOM 713 HD11 LEU L 46 -9.083 -13.728 31.641 1.00 26.18 H +ATOM 714 HD12 LEU L 46 -9.541 -13.740 29.922 1.00 26.18 H +ATOM 715 HD13 LEU L 46 -9.900 -15.149 30.948 1.00 26.18 H +ATOM 716 HD21 LEU L 46 -7.187 -15.130 32.442 1.00 28.84 H +ATOM 717 HD22 LEU L 46 -7.952 -16.595 31.782 1.00 28.84 H +ATOM 718 HD23 LEU L 46 -6.300 -16.154 31.288 1.00 28.84 H +ATOM 719 N LEU L 47 -8.231 -12.697 27.729 1.00 18.81 N +ATOM 720 CA LEU L 47 -7.548 -11.383 27.610 1.00 18.72 C +ATOM 721 C LEU L 47 -7.556 -10.564 28.901 1.00 20.25 C +ATOM 722 O LEU L 47 -6.525 -10.045 29.307 1.00 22.04 O +ATOM 723 CB LEU L 47 -8.174 -10.548 26.493 1.00 21.08 C +ATOM 724 CG LEU L 47 -8.109 -11.044 25.050 1.00 24.82 C +ATOM 725 CD1 LEU L 47 -8.672 -9.943 24.168 1.00 24.09 C +ATOM 726 CD2 LEU L 47 -6.694 -11.406 24.634 1.00 22.68 C +ATOM 727 H LEU L 47 -9.232 -12.715 27.861 1.00 18.81 H +ATOM 728 HA LEU L 47 -6.508 -11.571 27.342 1.00 18.72 H +ATOM 729 HB3 LEU L 47 -7.771 -9.536 26.539 1.00 21.08 H +ATOM 730 HB2 LEU L 47 -9.212 -10.336 26.748 1.00 21.08 H +ATOM 731 HG LEU L 47 -8.740 -11.928 24.954 1.00 24.82 H +ATOM 732 HD11 LEU L 47 -8.642 -10.261 23.126 1.00 24.09 H +ATOM 733 HD12 LEU L 47 -9.703 -9.738 24.456 1.00 24.09 H +ATOM 734 HD13 LEU L 47 -8.075 -9.039 24.289 1.00 24.09 H +ATOM 735 HD21 LEU L 47 -6.696 -11.753 23.601 1.00 22.68 H +ATOM 736 HD22 LEU L 47 -6.054 -10.528 24.720 1.00 22.68 H +ATOM 737 HD23 LEU L 47 -6.315 -12.197 25.282 1.00 22.68 H +ATOM 738 N ILE L 48 -8.723 -10.452 29.534 1.00 19.69 N +ATOM 739 CA ILE L 48 -8.892 -9.595 30.733 1.00 20.30 C +ATOM 740 C ILE L 48 -9.645 -10.413 31.782 1.00 22.78 C +ATOM 741 O ILE L 48 -10.576 -11.145 31.446 1.00 22.05 O +ATOM 742 CB ILE L 48 -9.711 -8.300 30.413 1.00 20.02 C +ATOM 743 CG1 ILE L 48 -9.146 -7.538 29.189 1.00 20.23 C +ATOM 744 CG2 ILE L 48 -9.901 -7.412 31.669 1.00 20.65 C +ATOM 745 CD1 ILE L 48 -7.846 -6.786 29.429 1.00 22.26 C +ATOM 746 H ILE L 48 -9.529 -10.960 29.200 1.00 19.69 H +ATOM 747 HA ILE L 48 -7.912 -9.318 31.123 1.00 20.30 H +ATOM 748 HB ILE L 48 -10.708 -8.636 30.126 1.00 20.02 H +ATOM 749 HG13 ILE L 48 -9.900 -6.844 28.817 1.00 20.23 H +ATOM 750 HG12 ILE L 48 -9.011 -8.235 28.362 1.00 20.23 H +ATOM 751 HG21 ILE L 48 -10.474 -6.524 31.403 1.00 20.65 H +ATOM 752 HG22 ILE L 48 -10.436 -7.974 32.434 1.00 20.65 H +ATOM 753 HG23 ILE L 48 -8.926 -7.113 32.054 1.00 20.65 H +ATOM 754 HD11 ILE L 48 -7.538 -6.288 28.509 1.00 22.26 H +ATOM 755 HD12 ILE L 48 -7.995 -6.042 30.212 1.00 22.26 H +ATOM 756 HD13 ILE L 48 -7.071 -7.488 29.738 1.00 22.26 H +ATOM 757 N TYR L 49 -9.257 -10.283 33.046 1.00 21.86 N +ATOM 758 CA TYR L 49 -10.007 -10.908 34.133 1.00 21.19 C +ATOM 759 C TYR L 49 -10.118 -9.920 35.299 1.00 21.06 C +ATOM 760 O TYR L 49 -9.432 -8.893 35.299 1.00 21.40 O +ATOM 761 CB TYR L 49 -9.341 -12.228 34.566 1.00 25.19 C +ATOM 762 CG TYR L 49 -7.962 -12.028 35.135 1.00 26.84 C +ATOM 763 CD1 TYR L 49 -6.850 -11.896 34.298 1.00 23.74 C +ATOM 764 CD2 TYR L 49 -7.768 -11.952 36.520 1.00 28.04 C +ATOM 765 CE1 TYR L 49 -5.580 -11.686 34.828 1.00 28.97 C +ATOM 766 CE2 TYR L 49 -6.511 -11.747 37.060 1.00 29.38 C +ATOM 767 CZ TYR L 49 -5.424 -11.619 36.214 1.00 29.83 C +ATOM 768 OH TYR L 49 -4.182 -11.416 36.755 1.00 31.60 O +ATOM 769 H TYR L 49 -8.431 -9.745 33.268 1.00 21.86 H +ATOM 770 HA TYR L 49 -11.012 -11.131 33.774 1.00 21.19 H +ATOM 771 HB3 TYR L 49 -9.286 -12.903 33.712 1.00 25.19 H +ATOM 772 HB2 TYR L 49 -9.969 -12.725 35.305 1.00 25.19 H +ATOM 773 HD1 TYR L 49 -6.970 -11.957 33.226 1.00 23.74 H +ATOM 774 HD2 TYR L 49 -8.609 -12.054 37.190 1.00 28.04 H +ATOM 775 HE1 TYR L 49 -4.731 -11.577 34.169 1.00 28.97 H +ATOM 776 HE2 TYR L 49 -6.386 -11.688 38.131 1.00 29.38 H +ATOM 777 HH TYR L 49 -4.249 -11.396 37.712 1.00 31.60 H +ATOM 778 N TYR L 50 -10.965 -10.223 36.286 1.00 19.42 N +ATOM 779 CA TYR L 50 -11.286 -9.255 37.362 1.00 16.43 C +ATOM 780 C TYR L 50 -11.592 -7.859 36.790 1.00 19.80 C +ATOM 781 O TYR L 50 -11.191 -6.828 37.366 1.00 18.13 O +ATOM 782 CB TYR L 50 -10.169 -9.158 38.411 1.00 19.48 C +ATOM 783 CG TYR L 50 -9.811 -10.451 39.130 1.00 18.21 C +ATOM 784 CD1 TYR L 50 -10.664 -11.564 39.123 1.00 23.35 C +ATOM 785 CD2 TYR L 50 -8.615 -10.544 39.843 1.00 19.38 C +ATOM 786 CE1 TYR L 50 -10.302 -12.751 39.792 1.00 20.76 C +ATOM 787 CE2 TYR L 50 -8.255 -11.711 40.517 1.00 21.66 C +ATOM 788 CZ TYR L 50 -9.100 -12.812 40.485 1.00 21.09 C +ATOM 789 OH TYR L 50 -8.734 -13.955 41.175 1.00 20.38 O +ATOM 790 H TYR L 50 -11.405 -11.132 36.312 1.00 19.42 H +ATOM 791 HA TYR L 50 -12.184 -9.609 37.868 1.00 16.43 H +ATOM 792 HB3 TYR L 50 -10.432 -8.398 39.147 1.00 19.48 H +ATOM 793 HB2 TYR L 50 -9.274 -8.746 37.946 1.00 19.48 H +ATOM 794 HD1 TYR L 50 -11.609 -11.517 38.602 1.00 23.35 H +ATOM 795 HD2 TYR L 50 -7.943 -9.700 39.882 1.00 19.38 H +ATOM 796 HE1 TYR L 50 -10.958 -13.608 39.764 1.00 20.76 H +ATOM 797 HE2 TYR L 50 -7.323 -11.755 41.060 1.00 21.66 H +ATOM 798 HH TYR L 50 -9.256 -14.698 40.864 1.00 20.38 H +ATOM 799 N ALA L 51 -12.294 -7.862 35.653 1.00 19.79 N +ATOM 800 CA ALA L 51 -12.775 -6.657 34.945 1.00 17.47 C +ATOM 801 C ALA L 51 -11.683 -5.802 34.289 1.00 19.40 C +ATOM 802 O ALA L 51 -11.924 -5.218 33.237 1.00 20.35 O +ATOM 803 CB ALA L 51 -13.652 -5.797 35.867 1.00 20.87 C +ATOM 804 H ALA L 51 -12.535 -8.737 35.211 1.00 19.79 H +ATOM 805 HA ALA L 51 -13.421 -7.007 34.140 1.00 17.47 H +ATOM 806 HB1 ALA L 51 -13.995 -4.916 35.325 1.00 20.87 H +ATOM 807 HB2 ALA L 51 -14.513 -6.378 36.196 1.00 20.87 H +ATOM 808 HB3 ALA L 51 -13.071 -5.486 36.735 1.00 20.87 H +ATOM 809 N SER L 52 -10.502 -5.706 34.903 1.00 21.50 N +ATOM 810 CA SER L 52 -9.473 -4.785 34.410 1.00 19.28 C +ATOM 811 C SER L 52 -8.045 -5.331 34.303 1.00 22.98 C +ATOM 812 O SER L 52 -7.181 -4.647 33.752 1.00 26.45 O +ATOM 813 CB SER L 52 -9.467 -3.496 35.234 1.00 20.95 C +ATOM 814 OG SER L 52 -9.275 -3.781 36.603 1.00 20.62 O +ATOM 815 H SER L 52 -10.309 -6.272 35.717 1.00 21.50 H +ATOM 816 HA SER L 52 -9.771 -4.503 33.400 1.00 19.28 H +ATOM 817 HB3 SER L 52 -10.416 -2.976 35.101 1.00 20.95 H +ATOM 818 HB2 SER L 52 -8.667 -2.845 34.883 1.00 20.95 H +ATOM 819 HG SER L 52 -9.986 -4.346 36.915 1.00 20.62 H +ATOM 820 N ASN L 53 -7.779 -6.521 34.847 1.00 20.46 N +ATOM 821 CA ASN L 53 -6.428 -7.082 34.803 1.00 22.86 C +ATOM 822 C ASN L 53 -6.142 -7.688 33.436 1.00 21.47 C +ATOM 823 O ASN L 53 -6.863 -8.581 32.991 1.00 22.63 O +ATOM 824 CB ASN L 53 -6.225 -8.159 35.882 1.00 22.51 C +ATOM 825 CG ASN L 53 -6.228 -7.599 37.295 1.00 27.84 C +ATOM 826 OD1 ASN L 53 -6.290 -8.493 38.274 1.00 26.42 O +ATOM 827 ND2 ASN L 53 -6.154 -6.391 37.509 1.00 29.83 N +ATOM 828 H ASN L 53 -8.515 -7.047 35.297 1.00 20.46 H +ATOM 829 HA ASN L 53 -5.714 -6.277 34.980 1.00 22.86 H +ATOM 830 HB3 ASN L 53 -5.285 -8.680 35.701 1.00 22.51 H +ATOM 831 HB2 ASN L 53 -7.005 -8.915 35.790 1.00 22.51 H +ATOM 832 HD22 ASN L 53 -6.158 -6.045 38.458 1.00 29.83 H +ATOM 833 HD21 ASN L 53 -6.089 -5.744 36.736 1.00 29.83 H +ATOM 834 N ARG L 54 -5.097 -7.205 32.767 1.00 22.37 N +ATOM 835 CA ARG L 54 -4.645 -7.844 31.525 1.00 24.03 C +ATOM 836 C ARG L 54 -3.961 -9.149 31.881 1.00 26.11 C +ATOM 837 O ARG L 54 -3.149 -9.188 32.813 1.00 28.60 O +ATOM 838 CB ARG L 54 -3.639 -6.974 30.767 1.00 27.75 C +ATOM 839 CG ARG L 54 -4.188 -5.793 30.017 1.00 37.72 C +ATOM 840 CD ARG L 54 -3.066 -5.176 29.164 1.00 36.80 C +ATOM 841 NE ARG L 54 -3.340 -3.790 28.789 1.00 38.89 N +ATOM 842 CZ ARG L 54 -2.968 -2.720 29.488 1.00 41.76 C +ATOM 843 NH1 ARG L 54 -2.294 -2.850 30.630 1.00 43.43 N +ATOM 844 NH2 ARG L 54 -3.267 -1.510 29.038 1.00 42.31 N +ATOM 845 H ARG L 54 -4.608 -6.392 33.113 1.00 22.37 H +ATOM 846 HA ARG L 54 -5.505 -8.046 30.886 1.00 24.03 H +ATOM 847 HB3 ARG L 54 -3.069 -7.600 30.081 1.00 27.75 H +ATOM 848 HB2 ARG L 54 -2.868 -6.633 31.458 1.00 27.75 H +ATOM 849 HG3 ARG L 54 -4.555 -5.051 30.726 1.00 37.72 H +ATOM 850 HG2 ARG L 54 -5.000 -6.121 29.367 1.00 37.72 H +ATOM 851 HD3 ARG L 54 -2.925 -5.774 28.264 1.00 36.80 H +ATOM 852 HD2 ARG L 54 -2.126 -5.224 29.713 1.00 36.80 H +ATOM 853 HE ARG L 54 -3.853 -3.676 27.927 1.00 38.89 H +ATOM 854 HH12 ARG L 54 -2.018 -2.029 31.150 1.00 43.43 H +ATOM 855 HH11 ARG L 54 -2.059 -3.769 30.976 1.00 43.43 H +ATOM 856 HH22 ARG L 54 -2.988 -0.693 29.562 1.00 42.31 H +ATOM 857 HH21 ARG L 54 -3.774 -1.405 28.171 1.00 42.31 H +ATOM 858 N TYR L 55 -4.286 -10.211 31.150 1.00 26.15 N +ATOM 859 CA TYR L 55 -3.596 -11.485 31.305 1.00 27.45 C +ATOM 860 C TYR L 55 -2.226 -11.373 30.636 1.00 30.28 C +ATOM 861 O TYR L 55 -1.994 -10.479 29.809 1.00 30.11 O +ATOM 862 CB TYR L 55 -4.427 -12.633 30.702 1.00 27.61 C +ATOM 863 CG TYR L 55 -3.871 -14.027 30.953 1.00 25.23 C +ATOM 864 CD1 TYR L 55 -3.928 -14.597 32.221 1.00 27.58 C +ATOM 865 CD2 TYR L 55 -3.325 -14.787 29.918 1.00 31.43 C +ATOM 866 CE1 TYR L 55 -3.436 -15.871 32.461 1.00 28.73 C +ATOM 867 CE2 TYR L 55 -2.818 -16.083 30.151 1.00 28.34 C +ATOM 868 CZ TYR L 55 -2.886 -16.610 31.423 1.00 28.29 C +ATOM 869 OH TYR L 55 -2.400 -17.872 31.688 1.00 28.67 O +ATOM 870 H TYR L 55 -5.027 -10.146 30.467 1.00 26.15 H +ATOM 871 HA TYR L 55 -3.452 -11.678 32.368 1.00 27.45 H +ATOM 872 HB3 TYR L 55 -4.534 -12.475 29.629 1.00 27.61 H +ATOM 873 HB2 TYR L 55 -5.447 -12.578 31.082 1.00 27.61 H +ATOM 874 HD1 TYR L 55 -4.362 -14.045 33.042 1.00 27.58 H +ATOM 875 HD2 TYR L 55 -3.285 -14.385 28.916 1.00 31.43 H +ATOM 876 HE1 TYR L 55 -3.481 -16.289 33.456 1.00 28.73 H +ATOM 877 HE2 TYR L 55 -2.384 -16.647 29.339 1.00 28.34 H +ATOM 878 HH TYR L 55 -2.520 -18.073 32.619 1.00 28.67 H +ATOM 879 N THR L 56 -1.312 -12.267 31.000 1.00 32.33 N +ATOM 880 CA THR L 56 0.056 -12.218 30.480 1.00 39.22 C +ATOM 881 C THR L 56 0.129 -12.344 28.972 1.00 37.56 C +ATOM 882 O THR L 56 -0.640 -13.082 28.357 1.00 37.21 O +ATOM 883 CB THR L 56 0.942 -13.292 31.115 1.00 43.58 C +ATOM 884 OG1 THR L 56 0.244 -14.547 31.118 1.00 44.93 O +ATOM 885 CG2 THR L 56 1.267 -12.891 32.523 1.00 41.91 C +ATOM 886 H THR L 56 -1.555 -13.002 31.649 1.00 32.33 H +ATOM 887 HA THR L 56 0.474 -11.248 30.748 1.00 39.22 H +ATOM 888 HB THR L 56 1.864 -13.389 30.542 1.00 43.58 H +ATOM 889 HG1 THR L 56 0.033 -14.798 30.216 1.00 44.93 H +ATOM 890 HG21 THR L 56 1.898 -13.652 32.982 1.00 41.91 H +ATOM 891 HG22 THR L 56 1.795 -11.937 32.517 1.00 41.91 H +ATOM 892 HG23 THR L 56 0.345 -12.792 33.095 1.00 41.91 H +ATOM 893 N GLY L 57 1.051 -11.592 28.382 1.00 41.05 N +ATOM 894 CA GLY L 57 1.260 -11.634 26.947 1.00 40.14 C +ATOM 895 C GLY L 57 0.307 -10.746 26.178 1.00 37.84 C +ATOM 896 O GLY L 57 0.571 -10.440 25.022 1.00 42.24 O +ATOM 897 H GLY L 57 1.626 -10.972 28.934 1.00 41.05 H +ATOM 898 HA3 GLY L 57 1.160 -12.661 26.597 1.00 40.14 H +ATOM 899 HA2 GLY L 57 2.286 -11.344 26.722 1.00 40.14 H +ATOM 900 N VAL L 58 -0.790 -10.334 26.822 1.00 33.37 N +ATOM 901 CA VAL L 58 -1.840 -9.525 26.186 1.00 31.85 C +ATOM 902 C VAL L 58 -1.359 -8.083 25.937 1.00 28.18 C +ATOM 903 O VAL L 58 -0.948 -7.391 26.879 1.00 27.11 O +ATOM 904 CB VAL L 58 -3.154 -9.537 27.024 1.00 30.95 C +ATOM 905 CG1 VAL L 58 -4.218 -8.608 26.428 1.00 31.18 C +ATOM 906 CG2 VAL L 58 -3.694 -10.963 27.149 1.00 31.00 C +ATOM 907 H VAL L 58 -0.927 -10.577 27.793 1.00 33.37 H +ATOM 908 HA VAL L 58 -2.061 -9.972 25.217 1.00 31.85 H +ATOM 909 HB VAL L 58 -2.917 -9.178 28.026 1.00 30.95 H +ATOM 910 HG11 VAL L 58 -5.118 -8.645 27.041 1.00 31.18 H +ATOM 911 HG12 VAL L 58 -3.837 -7.587 26.404 1.00 31.18 H +ATOM 912 HG13 VAL L 58 -4.456 -8.930 25.414 1.00 31.18 H +ATOM 913 HG21 VAL L 58 -4.612 -10.954 27.737 1.00 31.00 H +ATOM 914 HG22 VAL L 58 -3.903 -11.361 26.156 1.00 31.00 H +ATOM 915 HG23 VAL L 58 -2.953 -11.591 27.643 1.00 31.00 H +ATOM 916 N PRO L 59 -1.405 -7.632 24.667 1.00 30.57 N +ATOM 917 CA PRO L 59 -0.913 -6.303 24.294 1.00 32.07 C +ATOM 918 C PRO L 59 -1.605 -5.177 25.054 1.00 31.34 C +ATOM 919 O PRO L 59 -2.781 -5.300 25.419 1.00 28.81 O +ATOM 920 CB PRO L 59 -1.264 -6.205 22.809 1.00 31.49 C +ATOM 921 CG PRO L 59 -1.344 -7.604 22.349 1.00 35.53 C +ATOM 922 CD PRO L 59 -1.926 -8.359 23.497 1.00 29.47 C +ATOM 923 HA PRO L 59 0.167 -6.246 24.433 1.00 32.07 H +ATOM 924 HB3 PRO L 59 -0.458 -5.696 22.280 1.00 31.49 H +ATOM 925 HB2 PRO L 59 -2.240 -5.732 22.699 1.00 31.49 H +ATOM 926 HG3 PRO L 59 -0.340 -7.975 22.144 1.00 35.53 H +ATOM 927 HG2 PRO L 59 -2.020 -7.666 21.496 1.00 35.53 H +ATOM 928 HD2 PRO L 59 -3.012 -8.270 23.473 1.00 29.47 H +ATOM 929 HD3 PRO L 59 -1.529 -9.374 23.498 1.00 29.47 H +ATOM 930 N ASP L 60 -0.853 -4.101 25.279 1.00 26.95 N +ATOM 931 CA ASP L 60 -1.308 -2.883 25.934 1.00 28.99 C +ATOM 932 C ASP L 60 -2.546 -2.244 25.311 1.00 24.55 C +ATOM 933 O ASP L 60 -3.285 -1.529 25.990 1.00 24.13 O +ATOM 934 CB ASP L 60 -0.171 -1.853 25.926 1.00 35.72 C +ATOM 935 CG ASP L 60 0.840 -2.078 27.039 1.00 42.81 C +ATOM 936 OD1 ASP L 60 0.605 -2.931 27.924 1.00 43.80 O +ATOM 937 OD2 ASP L 60 1.873 -1.379 27.033 1.00 46.69 O +ATOM 938 H ASP L 60 0.114 -4.091 24.987 1.00 26.95 H +ATOM 939 HA ASP L 60 -1.538 -3.124 26.972 1.00 28.99 H +ATOM 940 HB3 ASP L 60 -0.590 -0.851 26.014 1.00 35.72 H +ATOM 941 HB2 ASP L 60 0.338 -1.883 24.963 1.00 35.72 H +ATOM 942 N ARG L 61 -2.764 -2.483 24.018 1.00 25.20 N +ATOM 943 CA ARG L 61 -3.918 -1.896 23.338 1.00 24.61 C +ATOM 944 C ARG L 61 -5.264 -2.414 23.854 1.00 24.18 C +ATOM 945 O ARG L 61 -6.285 -1.764 23.621 1.00 22.59 O +ATOM 946 CB ARG L 61 -3.807 -2.004 21.803 1.00 24.81 C +ATOM 947 CG ARG L 61 -3.966 -3.394 21.225 1.00 27.55 C +ATOM 948 CD ARG L 61 -3.866 -3.360 19.699 1.00 25.72 C +ATOM 949 NE ARG L 61 -3.865 -4.696 19.115 1.00 27.54 N +ATOM 950 CZ ARG L 61 -2.812 -5.508 19.103 1.00 31.49 C +ATOM 951 NH1 ARG L 61 -1.653 -5.113 19.635 1.00 28.00 N +ATOM 952 NH2 ARG L 61 -2.907 -6.711 18.544 1.00 28.05 N +ATOM 953 H ARG L 61 -2.130 -3.074 23.500 1.00 25.20 H +ATOM 954 HA ARG L 61 -3.895 -0.831 23.569 1.00 24.61 H +ATOM 955 HB3 ARG L 61 -2.852 -1.588 21.481 1.00 24.81 H +ATOM 956 HB2 ARG L 61 -4.536 -1.337 21.342 1.00 24.81 H +ATOM 957 HG3 ARG L 61 -4.935 -3.800 21.516 1.00 27.55 H +ATOM 958 HG2 ARG L 61 -3.188 -4.045 21.625 1.00 27.55 H +ATOM 959 HD3 ARG L 61 -2.956 -2.836 19.407 1.00 25.72 H +ATOM 960 HD2 ARG L 61 -4.701 -2.788 19.294 1.00 25.72 H +ATOM 961 HE ARG L 61 -4.737 -4.993 18.701 1.00 27.54 H +ATOM 962 HH12 ARG L 61 -0.855 -5.732 19.624 1.00 28.00 H +ATOM 963 HH11 ARG L 61 -1.574 -4.195 20.048 1.00 28.00 H +ATOM 964 HH22 ARG L 61 -2.107 -7.328 18.535 1.00 28.05 H +ATOM 965 HH21 ARG L 61 -3.779 -7.008 18.129 1.00 28.05 H +ATOM 966 N PHE L 62 -5.250 -3.558 24.560 1.00 22.21 N +ATOM 967 CA PHE L 62 -6.451 -4.156 25.145 1.00 22.60 C +ATOM 968 C PHE L 62 -6.578 -3.751 26.604 1.00 25.40 C +ATOM 969 O PHE L 62 -5.656 -3.970 27.395 1.00 24.82 O +ATOM 970 CB PHE L 62 -6.415 -5.694 25.067 1.00 23.69 C +ATOM 971 CG PHE L 62 -6.336 -6.240 23.668 1.00 25.37 C +ATOM 972 CD1 PHE L 62 -7.459 -6.272 22.854 1.00 25.54 C +ATOM 973 CD2 PHE L 62 -5.138 -6.745 23.171 1.00 27.05 C +ATOM 974 CE1 PHE L 62 -7.388 -6.790 21.558 1.00 25.22 C +ATOM 975 CE2 PHE L 62 -5.060 -7.262 21.869 1.00 30.19 C +ATOM 976 CZ PHE L 62 -6.198 -7.283 21.066 1.00 23.41 C +ATOM 977 H PHE L 62 -4.380 -4.049 24.709 1.00 22.21 H +ATOM 978 HA PHE L 62 -7.325 -3.796 24.602 1.00 22.60 H +ATOM 979 HB3 PHE L 62 -7.295 -6.102 25.565 1.00 23.69 H +ATOM 980 HB2 PHE L 62 -5.571 -6.065 25.648 1.00 23.69 H +ATOM 981 HD1 PHE L 62 -8.402 -5.894 23.220 1.00 25.54 H +ATOM 982 HD2 PHE L 62 -4.253 -6.742 23.790 1.00 27.05 H +ATOM 983 HE1 PHE L 62 -8.269 -6.806 20.934 1.00 25.22 H +ATOM 984 HE2 PHE L 62 -4.121 -7.641 21.494 1.00 30.19 H +ATOM 985 HZ PHE L 62 -6.152 -7.682 20.064 1.00 23.41 H +ATOM 986 N THR L 63 -7.717 -3.163 26.961 1.00 21.72 N +ATOM 987 CA THR L 63 -8.011 -2.836 28.358 1.00 23.34 C +ATOM 988 C THR L 63 -9.451 -3.201 28.708 1.00 22.50 C +ATOM 989 O THR L 63 -10.301 -3.340 27.826 1.00 24.01 O +ATOM 990 CB THR L 63 -7.773 -1.334 28.688 1.00 26.61 C +ATOM 991 OG1 THR L 63 -8.678 -0.522 27.929 1.00 22.64 O +ATOM 992 CG2 THR L 63 -6.338 -0.896 28.385 1.00 25.48 C +ATOM 993 H THR L 63 -8.406 -2.930 26.260 1.00 21.72 H +ATOM 994 HA THR L 63 -7.350 -3.429 28.990 1.00 23.34 H +ATOM 995 HB THR L 63 -7.969 -1.175 29.748 1.00 26.61 H +ATOM 996 HG1 THR L 63 -9.582 -0.757 28.151 1.00 22.64 H +ATOM 997 HG21 THR L 63 -6.220 0.159 28.631 1.00 25.48 H +ATOM 998 HG22 THR L 63 -5.643 -1.488 28.981 1.00 25.48 H +ATOM 999 HG23 THR L 63 -6.127 -1.047 27.326 1.00 25.48 H +ATOM 1000 N GLY L 64 -9.713 -3.381 29.997 1.00 23.38 N +ATOM 1001 CA GLY L 64 -11.077 -3.524 30.495 1.00 24.13 C +ATOM 1002 C GLY L 64 -11.296 -2.592 31.674 1.00 21.51 C +ATOM 1003 O GLY L 64 -10.353 -2.243 32.382 1.00 20.49 O +ATOM 1004 H GLY L 64 -8.957 -3.422 30.665 1.00 23.38 H +ATOM 1005 HA3 GLY L 64 -11.242 -4.554 30.811 1.00 24.13 H +ATOM 1006 HA2 GLY L 64 -11.781 -3.276 29.701 1.00 24.13 H +ATOM 1007 N SER L 65 -12.539 -2.177 31.882 1.00 19.96 N +ATOM 1008 CA SER L 65 -12.895 -1.380 33.052 1.00 21.15 C +ATOM 1009 C SER L 65 -14.311 -1.692 33.495 1.00 20.15 C +ATOM 1010 O SER L 65 -15.072 -2.347 32.776 1.00 22.36 O +ATOM 1011 CB SER L 65 -12.747 0.124 32.765 1.00 26.77 C +ATOM 1012 OG SER L 65 -13.649 0.532 31.752 1.00 29.91 O +ATOM 1013 H SER L 65 -13.267 -2.411 31.222 1.00 19.96 H +ATOM 1014 HA SER L 65 -12.217 -1.642 33.864 1.00 21.15 H +ATOM 1015 HB3 SER L 65 -11.726 0.334 32.448 1.00 26.77 H +ATOM 1016 HB2 SER L 65 -12.945 0.689 33.676 1.00 26.77 H +ATOM 1017 HG SER L 65 -13.468 0.043 30.946 1.00 29.91 H +ATOM 1018 N GLY L 66 -14.656 -1.222 34.689 1.00 26.32 N +ATOM 1019 CA GLY L 66 -16.004 -1.376 35.213 1.00 23.52 C +ATOM 1020 C GLY L 66 -16.083 -2.156 36.507 1.00 20.79 C +ATOM 1021 O GLY L 66 -15.174 -2.905 36.869 1.00 22.02 O +ATOM 1022 H GLY L 66 -13.974 -0.743 35.259 1.00 26.32 H +ATOM 1023 HA3 GLY L 66 -16.631 -1.858 34.462 1.00 23.52 H +ATOM 1024 HA2 GLY L 66 -16.450 -0.392 35.357 1.00 23.52 H +ATOM 1025 N TYR L 67 -17.200 -1.980 37.193 1.00 22.24 N +ATOM 1026 CA TYR L 67 -17.471 -2.659 38.447 1.00 25.46 C +ATOM 1027 C TYR L 67 -18.972 -2.663 38.617 1.00 27.81 C +ATOM 1028 O TYR L 67 -19.612 -1.621 38.441 1.00 30.01 O +ATOM 1029 CB TYR L 67 -16.830 -1.928 39.634 1.00 27.21 C +ATOM 1030 CG TYR L 67 -17.052 -2.658 40.945 1.00 27.77 C +ATOM 1031 CD1 TYR L 67 -16.103 -3.558 41.429 1.00 27.37 C +ATOM 1032 CD2 TYR L 67 -18.229 -2.476 41.676 1.00 26.22 C +ATOM 1033 CE1 TYR L 67 -16.314 -4.252 42.616 1.00 28.69 C +ATOM 1034 CE2 TYR L 67 -18.452 -3.166 42.860 1.00 29.32 C +ATOM 1035 CZ TYR L 67 -17.487 -4.052 43.321 1.00 29.35 C +ATOM 1036 OH TYR L 67 -17.696 -4.736 44.491 1.00 31.95 O +ATOM 1037 H TYR L 67 -17.910 -1.350 36.848 1.00 22.24 H +ATOM 1038 HA TYR L 67 -17.101 -3.683 38.400 1.00 25.46 H +ATOM 1039 HB3 TYR L 67 -17.242 -0.921 39.705 1.00 27.21 H +ATOM 1040 HB2 TYR L 67 -15.760 -1.818 39.457 1.00 27.21 H +ATOM 1041 HD1 TYR L 67 -15.188 -3.725 40.880 1.00 27.37 H +ATOM 1042 HD2 TYR L 67 -18.984 -1.789 41.322 1.00 26.22 H +ATOM 1043 HE1 TYR L 67 -15.565 -4.940 42.980 1.00 28.69 H +ATOM 1044 HE2 TYR L 67 -19.368 -3.011 43.411 1.00 29.32 H +ATOM 1045 HH TYR L 67 -16.941 -5.301 44.671 1.00 31.95 H +ATOM 1046 N GLY L 68 -19.528 -3.829 38.935 1.00 21.09 N +ATOM 1047 CA GLY L 68 -20.930 -3.943 39.329 1.00 21.64 C +ATOM 1048 C GLY L 68 -21.769 -4.518 38.211 1.00 24.97 C +ATOM 1049 O GLY L 68 -21.841 -5.731 38.050 1.00 23.02 O +ATOM 1050 H GLY L 68 -18.977 -4.675 38.909 1.00 21.09 H +ATOM 1051 HA3 GLY L 68 -21.312 -2.959 39.600 1.00 21.64 H +ATOM 1052 HA2 GLY L 68 -21.009 -4.583 40.208 1.00 21.64 H +ATOM 1053 N THR L 69 -22.391 -3.639 37.422 1.00 24.22 N +ATOM 1054 CA THR L 69 -23.201 -4.066 36.282 1.00 23.38 C +ATOM 1055 C THR L 69 -22.655 -3.606 34.920 1.00 25.94 C +ATOM 1056 O THR L 69 -22.911 -4.254 33.907 1.00 26.95 O +ATOM 1057 CB THR L 69 -24.665 -3.584 36.409 1.00 24.59 C +ATOM 1058 OG1 THR L 69 -24.683 -2.160 36.499 1.00 23.62 O +ATOM 1059 CG2 THR L 69 -25.337 -4.181 37.650 1.00 27.98 C +ATOM 1060 H THR L 69 -22.309 -2.649 37.605 1.00 24.22 H +ATOM 1061 HA THR L 69 -23.214 -5.156 36.279 1.00 23.38 H +ATOM 1062 HB THR L 69 -25.219 -3.891 35.522 1.00 24.59 H +ATOM 1063 HG1 THR L 69 -24.507 -1.782 35.634 1.00 23.62 H +ATOM 1064 HG21 THR L 69 -26.365 -3.825 37.714 1.00 27.98 H +ATOM 1065 HG22 THR L 69 -25.334 -5.269 37.578 1.00 27.98 H +ATOM 1066 HG23 THR L 69 -24.791 -3.875 38.542 1.00 27.98 H +ATOM 1067 N ASP L 70 -21.910 -2.500 34.897 1.00 22.84 N +ATOM 1068 CA ASP L 70 -21.477 -1.897 33.623 1.00 25.77 C +ATOM 1069 C ASP L 70 -20.000 -2.097 33.351 1.00 23.67 C +ATOM 1070 O ASP L 70 -19.161 -1.650 34.125 1.00 26.46 O +ATOM 1071 CB ASP L 70 -21.773 -0.391 33.598 1.00 28.59 C +ATOM 1072 CG ASP L 70 -23.252 -0.072 33.691 1.00 35.65 C +ATOM 1073 OD1 ASP L 70 -24.094 -0.994 33.612 1.00 34.92 O +ATOM 1074 OD2 ASP L 70 -23.566 1.128 33.839 1.00 40.19 O +ATOM 1075 H ASP L 70 -21.632 -2.060 35.763 1.00 22.84 H +ATOM 1076 HA ASP L 70 -22.038 -2.367 32.816 1.00 25.77 H +ATOM 1077 HB3 ASP L 70 -21.366 0.043 32.685 1.00 28.59 H +ATOM 1078 HB2 ASP L 70 -21.246 0.095 34.419 1.00 28.59 H +ATOM 1079 N PHE L 71 -19.692 -2.741 32.230 1.00 21.59 N +ATOM 1080 CA PHE L 71 -18.313 -3.112 31.901 1.00 23.35 C +ATOM 1081 C PHE L 71 -17.984 -2.735 30.466 1.00 24.48 C +ATOM 1082 O PHE L 71 -18.839 -2.815 29.576 1.00 22.97 O +ATOM 1083 CB PHE L 71 -18.066 -4.610 32.142 1.00 19.61 C +ATOM 1084 CG PHE L 71 -18.331 -5.044 33.570 1.00 20.92 C +ATOM 1085 CD1 PHE L 71 -17.335 -4.954 34.544 1.00 21.65 C +ATOM 1086 CD2 PHE L 71 -19.588 -5.515 33.938 1.00 19.52 C +ATOM 1087 CE1 PHE L 71 -17.579 -5.340 35.858 1.00 18.82 C +ATOM 1088 CE2 PHE L 71 -19.847 -5.908 35.248 1.00 17.75 C +ATOM 1089 CZ PHE L 71 -18.846 -5.811 36.216 1.00 16.39 C +ATOM 1090 H PHE L 71 -20.419 -2.990 31.574 1.00 21.59 H +ATOM 1091 HA PHE L 71 -17.648 -2.551 32.557 1.00 23.35 H +ATOM 1092 HB3 PHE L 71 -17.038 -4.855 31.874 1.00 19.61 H +ATOM 1093 HB2 PHE L 71 -18.690 -5.193 31.465 1.00 19.61 H +ATOM 1094 HD1 PHE L 71 -16.356 -4.580 34.282 1.00 21.65 H +ATOM 1095 HD2 PHE L 71 -20.377 -5.579 33.203 1.00 19.52 H +ATOM 1096 HE1 PHE L 71 -16.792 -5.275 36.595 1.00 18.82 H +ATOM 1097 HE2 PHE L 71 -20.822 -6.288 35.515 1.00 17.75 H +ATOM 1098 HZ PHE L 71 -19.047 -6.098 37.238 1.00 16.39 H +ATOM 1099 N THR L 72 -16.742 -2.313 30.264 1.00 22.53 N +ATOM 1100 CA THR L 72 -16.285 -1.822 28.972 1.00 21.99 C +ATOM 1101 C THR L 72 -14.978 -2.503 28.604 1.00 23.77 C +ATOM 1102 O THR L 72 -14.057 -2.589 29.424 1.00 25.20 O +ATOM 1103 CB THR L 72 -16.088 -0.296 29.006 1.00 23.88 C +ATOM 1104 OG1 THR L 72 -17.295 0.327 29.461 1.00 24.52 O +ATOM 1105 CG2 THR L 72 -15.763 0.247 27.616 1.00 27.08 C +ATOM 1106 H THR L 72 -16.075 -2.325 31.022 1.00 22.53 H +ATOM 1107 HA THR L 72 -17.034 -2.064 28.218 1.00 21.99 H +ATOM 1108 HB THR L 72 -15.275 -0.051 29.689 1.00 23.88 H +ATOM 1109 HG1 THR L 72 -17.506 0.011 30.342 1.00 24.52 H +ATOM 1110 HG21 THR L 72 -15.629 1.327 27.670 1.00 27.08 H +ATOM 1111 HG22 THR L 72 -14.846 -0.215 27.250 1.00 27.08 H +ATOM 1112 HG23 THR L 72 -16.582 0.016 26.935 1.00 27.08 H +ATOM 1113 N PHE L 73 -14.920 -2.991 27.369 1.00 21.51 N +ATOM 1114 CA PHE L 73 -13.707 -3.577 26.803 1.00 20.02 C +ATOM 1115 C PHE L 73 -13.301 -2.680 25.647 1.00 22.78 C +ATOM 1116 O PHE L 73 -14.127 -2.370 24.785 1.00 22.62 O +ATOM 1117 CB PHE L 73 -13.995 -4.998 26.300 1.00 21.22 C +ATOM 1118 CG PHE L 73 -12.851 -5.627 25.545 1.00 19.76 C +ATOM 1119 CD1 PHE L 73 -11.818 -6.274 26.231 1.00 21.92 C +ATOM 1120 CD2 PHE L 73 -12.814 -5.583 24.157 1.00 20.48 C +ATOM 1121 CE1 PHE L 73 -10.757 -6.856 25.546 1.00 23.92 C +ATOM 1122 CE2 PHE L 73 -11.749 -6.158 23.454 1.00 24.96 C +ATOM 1123 CZ PHE L 73 -10.719 -6.793 24.151 1.00 22.99 C +ATOM 1124 H PHE L 73 -15.738 -2.966 26.777 1.00 21.51 H +ATOM 1125 HA PHE L 73 -12.917 -3.599 27.554 1.00 20.02 H +ATOM 1126 HB3 PHE L 73 -14.882 -4.984 25.666 1.00 21.22 H +ATOM 1127 HB2 PHE L 73 -14.263 -5.633 27.145 1.00 21.22 H +ATOM 1128 HD1 PHE L 73 -11.836 -6.327 27.310 1.00 21.92 H +ATOM 1129 HD2 PHE L 73 -13.612 -5.102 23.611 1.00 20.48 H +ATOM 1130 HE1 PHE L 73 -9.969 -7.353 26.092 1.00 23.92 H +ATOM 1131 HE2 PHE L 73 -11.725 -6.110 22.375 1.00 24.96 H +ATOM 1132 HZ PHE L 73 -9.894 -7.235 23.613 1.00 22.99 H +ATOM 1133 N THR L 74 -12.032 -2.279 25.627 1.00 22.56 N +ATOM 1134 CA THR L 74 -11.528 -1.336 24.637 1.00 24.07 C +ATOM 1135 C THR L 74 -10.275 -1.863 23.916 1.00 25.43 C +ATOM 1136 O THR L 74 -9.359 -2.392 24.539 1.00 23.89 O +ATOM 1137 CB THR L 74 -11.203 0.039 25.308 1.00 24.70 C +ATOM 1138 OG1 THR L 74 -12.374 0.560 25.965 1.00 25.09 O +ATOM 1139 CG2 THR L 74 -10.713 1.047 24.297 1.00 24.43 C +ATOM 1140 H THR L 74 -11.381 -2.630 26.314 1.00 22.56 H +ATOM 1141 HA THR L 74 -12.307 -1.176 23.892 1.00 24.07 H +ATOM 1142 HB THR L 74 -10.423 -0.113 26.054 1.00 24.70 H +ATOM 1143 HG1 THR L 74 -12.665 -0.058 26.640 1.00 25.09 H +ATOM 1144 HG21 THR L 74 -10.497 1.990 24.799 1.00 24.43 H +ATOM 1145 HG22 THR L 74 -9.806 0.674 23.821 1.00 24.43 H +ATOM 1146 HG23 THR L 74 -11.481 1.206 23.540 1.00 24.43 H +ATOM 1147 N ILE L 75 -10.245 -1.716 22.598 1.00 23.71 N +ATOM 1148 CA ILE L 75 -8.999 -1.854 21.860 1.00 22.33 C +ATOM 1149 C ILE L 75 -8.652 -0.436 21.393 1.00 20.78 C +ATOM 1150 O ILE L 75 -9.394 0.163 20.618 1.00 22.46 O +ATOM 1151 CB ILE L 75 -9.095 -2.827 20.651 1.00 21.28 C +ATOM 1152 CG1 ILE L 75 -9.874 -4.113 21.008 1.00 21.76 C +ATOM 1153 CG2 ILE L 75 -7.689 -3.162 20.156 1.00 21.92 C +ATOM 1154 CD1 ILE L 75 -10.165 -5.037 19.792 1.00 23.06 C +ATOM 1155 H ILE L 75 -11.094 -1.505 22.094 1.00 23.71 H +ATOM 1156 HA ILE L 75 -8.221 -2.205 22.538 1.00 22.33 H +ATOM 1157 HB ILE L 75 -9.627 -2.319 19.847 1.00 21.28 H +ATOM 1158 HG13 ILE L 75 -10.814 -3.844 21.490 1.00 21.76 H +ATOM 1159 HG12 ILE L 75 -9.321 -4.672 21.763 1.00 21.76 H +ATOM 1160 HG21 ILE L 75 -7.755 -3.844 19.308 1.00 21.92 H +ATOM 1161 HG22 ILE L 75 -7.184 -2.247 19.847 1.00 21.92 H +ATOM 1162 HG23 ILE L 75 -7.124 -3.635 20.959 1.00 21.92 H +ATOM 1163 HD11 ILE L 75 -10.714 -5.917 20.127 1.00 23.06 H +ATOM 1164 HD12 ILE L 75 -10.761 -4.495 19.058 1.00 23.06 H +ATOM 1165 HD13 ILE L 75 -9.224 -5.348 19.338 1.00 23.06 H +ATOM 1166 N SER L 76 -7.544 0.105 21.893 1.00 22.78 N +ATOM 1167 CA SER L 76 -7.211 1.520 21.682 1.00 24.91 C +ATOM 1168 C SER L 76 -6.943 1.844 20.216 1.00 26.64 C +ATOM 1169 O SER L 76 -7.461 2.835 19.679 1.00 27.37 O +ATOM 1170 CB SER L 76 -6.019 1.923 22.549 1.00 26.92 C +ATOM 1171 OG SER L 76 -4.903 1.097 22.268 1.00 27.84 O +ATOM 1172 H SER L 76 -6.906 -0.461 22.434 1.00 22.78 H +ATOM 1173 HA SER L 76 -8.068 2.113 22.001 1.00 24.91 H +ATOM 1174 HB3 SER L 76 -6.286 1.826 23.601 1.00 26.92 H +ATOM 1175 HB2 SER L 76 -5.760 2.963 22.350 1.00 26.92 H +ATOM 1176 HG SER L 76 -4.162 1.361 22.819 1.00 27.84 H +ATOM 1177 N THR L 77 -6.127 1.006 19.580 1.00 26.14 N +ATOM 1178 CA THR L 77 -5.816 1.118 18.161 1.00 28.54 C +ATOM 1179 C THR L 77 -5.895 -0.277 17.580 1.00 24.35 C +ATOM 1180 O THR L 77 -4.973 -1.073 17.750 1.00 24.08 O +ATOM 1181 CB THR L 77 -4.387 1.693 17.914 1.00 31.83 C +ATOM 1182 OG1 THR L 77 -3.411 0.868 18.574 1.00 32.67 O +ATOM 1183 CG2 THR L 77 -4.276 3.102 18.436 1.00 31.09 C +ATOM 1184 H THR L 77 -5.690 0.247 20.083 1.00 26.14 H +ATOM 1185 HA THR L 77 -6.554 1.757 17.676 1.00 28.54 H +ATOM 1186 HB THR L 77 -4.185 1.694 16.843 1.00 31.83 H +ATOM 1187 HG1 THR L 77 -3.660 -0.055 18.486 1.00 32.67 H +ATOM 1188 HG21 THR L 77 -3.270 3.480 18.252 1.00 31.09 H +ATOM 1189 HG22 THR L 77 -5.001 3.737 17.927 1.00 31.09 H +ATOM 1190 HG23 THR L 77 -4.476 3.110 19.507 1.00 31.09 H +ATOM 1191 N VAL L 78 -7.003 -0.585 16.910 1.00 25.11 N +ATOM 1192 CA VAL L 78 -7.232 -1.953 16.422 1.00 24.03 C +ATOM 1193 C VAL L 78 -6.254 -2.315 15.293 1.00 24.01 C +ATOM 1194 O VAL L 78 -5.901 -1.479 14.455 1.00 24.27 O +ATOM 1195 CB VAL L 78 -8.719 -2.198 16.029 1.00 24.17 C +ATOM 1196 CG1 VAL L 78 -9.046 -1.526 14.733 1.00 26.25 C +ATOM 1197 CG2 VAL L 78 -9.035 -3.705 15.939 1.00 26.31 C +ATOM 1198 H VAL L 78 -7.699 0.125 16.731 1.00 25.11 H +ATOM 1199 HA VAL L 78 -7.013 -2.623 17.253 1.00 24.03 H +ATOM 1200 HB VAL L 78 -9.351 -1.765 16.805 1.00 24.17 H +ATOM 1201 HG11 VAL L 78 -10.090 -1.712 14.480 1.00 26.25 H +ATOM 1202 HG12 VAL L 78 -8.881 -0.453 14.828 1.00 26.25 H +ATOM 1203 HG13 VAL L 78 -8.406 -1.923 13.945 1.00 26.25 H +ATOM 1204 HG21 VAL L 78 -10.081 -3.842 15.663 1.00 26.31 H +ATOM 1205 HG22 VAL L 78 -8.397 -4.166 15.185 1.00 26.31 H +ATOM 1206 HG23 VAL L 78 -8.851 -4.174 16.906 1.00 26.31 H +ATOM 1207 N GLN L 79 -5.810 -3.570 15.308 1.00 23.13 N +ATOM 1208 CA GLN L 79 -4.868 -4.092 14.325 0.50 22.17 C +ATOM 1209 C GLN L 79 -5.572 -5.139 13.472 1.00 21.37 C +ATOM 1210 O GLN L 79 -6.585 -5.692 13.888 1.00 20.14 O +ATOM 1211 CB GLN L 79 -3.657 -4.718 15.031 0.50 21.64 C +ATOM 1212 CG GLN L 79 -2.845 -3.743 15.899 0.50 24.20 C +ATOM 1213 CD GLN L 79 -2.369 -2.513 15.140 0.50 25.70 C +ATOM 1214 OE1 GLN L 79 -1.783 -2.616 14.059 0.50 28.98 O +ATOM 1215 NE2 GLN L 79 -2.621 -1.337 15.709 0.50 24.12 N +ATOM 1216 H GLN L 79 -6.126 -4.209 16.024 1.00 23.13 H +ATOM 1217 HA GLN L 79 -4.529 -3.277 13.685 1.00 22.17 H +ATOM 1218 HB3 GLN L 79 -3.001 -5.172 14.288 1.00 21.64 H +ATOM 1219 HB2 GLN L 79 -3.990 -5.556 15.644 1.00 21.64 H +ATOM 1220 HG3 GLN L 79 -1.985 -4.264 16.320 1.00 24.20 H +ATOM 1221 HG2 GLN L 79 -3.447 -3.431 16.753 1.00 24.20 H +ATOM 1222 HE22 GLN L 79 -2.330 -0.483 15.254 1.00 24.12 H +ATOM 1223 HE21 GLN L 79 -3.103 -1.298 16.596 1.00 24.12 H +ATOM 1224 N ALA L 80 -5.029 -5.412 12.291 1.00 22.46 N +ATOM 1225 CA ALA L 80 -5.632 -6.395 11.375 1.00 20.80 C +ATOM 1226 C ALA L 80 -5.862 -7.754 12.046 1.00 20.87 C +ATOM 1227 O ALA L 80 -6.875 -8.413 11.802 1.00 20.17 O +ATOM 1228 CB ALA L 80 -4.786 -6.540 10.129 1.00 21.84 C +ATOM 1229 H ALA L 80 -4.183 -4.941 12.003 1.00 22.46 H +ATOM 1230 HA ALA L 80 -6.605 -6.009 11.070 1.00 20.80 H +ATOM 1231 HB1 ALA L 80 -5.244 -7.270 9.461 1.00 21.84 H +ATOM 1232 HB2 ALA L 80 -4.717 -5.578 9.622 1.00 21.84 H +ATOM 1233 HB3 ALA L 80 -3.787 -6.877 10.405 1.00 21.84 H +ATOM 1234 N GLU L 81 -4.948 -8.155 12.927 1.00 18.53 N +ATOM 1235 CA GLU L 81 -5.047 -9.461 13.567 1.00 19.40 C +ATOM 1236 C GLU L 81 -6.080 -9.556 14.673 1.00 20.32 C +ATOM 1237 O GLU L 81 -6.323 -10.651 15.184 1.00 21.91 O +ATOM 1238 CB GLU L 81 -3.693 -9.947 14.079 1.00 25.19 C +ATOM 1239 CG GLU L 81 -3.069 -9.045 15.119 1.00 30.09 C +ATOM 1240 CD GLU L 81 -2.085 -8.040 14.526 1.00 35.43 C +ATOM 1241 OE1 GLU L 81 -2.281 -7.538 13.374 1.00 31.34 O +ATOM 1242 OE2 GLU L 81 -1.098 -7.747 15.238 1.00 35.48 O +ATOM 1243 H GLU L 81 -4.172 -7.551 13.160 1.00 18.53 H +ATOM 1244 HA GLU L 81 -5.356 -10.163 12.793 1.00 19.40 H +ATOM 1245 HB3 GLU L 81 -3.008 -10.058 13.239 1.00 25.19 H +ATOM 1246 HB2 GLU L 81 -3.801 -10.951 14.489 1.00 25.19 H +ATOM 1247 HG3 GLU L 81 -2.559 -9.653 15.867 1.00 30.09 H +ATOM 1248 HG2 GLU L 81 -3.855 -8.511 15.653 1.00 30.09 H +ATOM 1249 N ASP L 82 -6.677 -8.421 15.049 1.00 18.02 N +ATOM 1250 CA ASP L 82 -7.664 -8.409 16.114 1.00 19.68 C +ATOM 1251 C ASP L 82 -9.070 -8.799 15.645 1.00 21.15 C +ATOM 1252 O ASP L 82 -10.000 -8.841 16.455 1.00 20.25 O +ATOM 1253 CB ASP L 82 -7.707 -7.048 16.833 1.00 22.29 C +ATOM 1254 CG ASP L 82 -6.359 -6.625 17.407 1.00 24.44 C +ATOM 1255 OD1 ASP L 82 -5.523 -7.491 17.762 1.00 24.48 O +ATOM 1256 OD2 ASP L 82 -6.140 -5.398 17.505 1.00 22.96 O +ATOM 1257 H ASP L 82 -6.444 -7.552 14.590 1.00 18.02 H +ATOM 1258 HA ASP L 82 -7.353 -9.151 16.849 1.00 19.68 H +ATOM 1259 HB3 ASP L 82 -8.446 -7.085 17.634 1.00 22.29 H +ATOM 1260 HB2 ASP L 82 -8.061 -6.284 16.141 1.00 22.29 H +ATOM 1261 N LEU L 83 -9.239 -9.102 14.359 1.00 18.84 N +ATOM 1262 CA LEU L 83 -10.537 -9.611 13.914 1.00 20.93 C +ATOM 1263 C LEU L 83 -10.883 -10.891 14.688 1.00 20.64 C +ATOM 1264 O LEU L 83 -10.064 -11.829 14.771 1.00 19.77 O +ATOM 1265 CB LEU L 83 -10.607 -9.780 12.391 1.00 27.51 C +ATOM 1266 CG LEU L 83 -9.961 -10.915 11.615 1.00 29.71 C +ATOM 1267 CD1 LEU L 83 -10.916 -12.073 11.493 1.00 33.88 C +ATOM 1268 CD2 LEU L 83 -9.628 -10.428 10.231 1.00 30.34 C +ATOM 1269 H LEU L 83 -8.477 -8.979 13.707 1.00 18.84 H +ATOM 1270 HA LEU L 83 -11.282 -8.863 14.186 1.00 20.93 H +ATOM 1271 HB3 LEU L 83 -10.317 -8.837 11.927 1.00 27.51 H +ATOM 1272 HB2 LEU L 83 -11.650 -9.704 12.084 1.00 27.51 H +ATOM 1273 HG LEU L 83 -9.052 -11.238 12.122 1.00 29.71 H +ATOM 1274 HD11 LEU L 83 -10.441 -12.879 10.935 1.00 33.88 H +ATOM 1275 HD12 LEU L 83 -11.185 -12.429 12.487 1.00 33.88 H +ATOM 1276 HD13 LEU L 83 -11.815 -11.750 10.968 1.00 33.88 H +ATOM 1277 HD21 LEU L 83 -9.163 -11.234 9.664 1.00 30.34 H +ATOM 1278 HD22 LEU L 83 -10.541 -10.110 9.728 1.00 30.34 H +ATOM 1279 HD23 LEU L 83 -8.938 -9.587 10.297 1.00 30.34 H +ATOM 1280 N ALA L 84 -12.078 -10.917 15.278 1.00 20.06 N +ATOM 1281 CA ALA L 84 -12.433 -11.968 16.240 1.00 19.03 C +ATOM 1282 C ALA L 84 -13.832 -11.705 16.732 1.00 21.87 C +ATOM 1283 O ALA L 84 -14.369 -10.625 16.496 1.00 20.61 O +ATOM 1284 CB ALA L 84 -11.452 -11.949 17.438 1.00 22.18 C +ATOM 1285 H ALA L 84 -12.761 -10.204 15.066 1.00 20.06 H +ATOM 1286 HA ALA L 84 -12.394 -12.941 15.750 1.00 19.03 H +ATOM 1287 HB1 ALA L 84 -11.725 -12.733 18.145 1.00 22.18 H +ATOM 1288 HB2 ALA L 84 -10.437 -12.121 17.080 1.00 22.18 H +ATOM 1289 HB3 ALA L 84 -11.502 -10.980 17.934 1.00 22.18 H +ATOM 1290 N VAL L 85 -14.420 -12.693 17.413 1.00 21.86 N +ATOM 1291 CA VAL L 85 -15.591 -12.452 18.257 1.00 18.37 C +ATOM 1292 C VAL L 85 -15.097 -12.341 19.694 1.00 21.85 C +ATOM 1293 O VAL L 85 -14.343 -13.201 20.168 1.00 21.95 O +ATOM 1294 CB VAL L 85 -16.635 -13.563 18.142 1.00 20.40 C +ATOM 1295 CG1 VAL L 85 -17.837 -13.278 19.050 1.00 19.66 C +ATOM 1296 CG2 VAL L 85 -17.065 -13.745 16.671 1.00 22.53 C +ATOM 1297 H VAL L 85 -14.057 -13.634 17.352 1.00 21.86 H +ATOM 1298 HA VAL L 85 -16.048 -11.506 17.966 1.00 18.37 H +ATOM 1299 HB VAL L 85 -16.175 -14.493 18.475 1.00 20.40 H +ATOM 1300 HG11 VAL L 85 -18.566 -14.082 18.951 1.00 19.66 H +ATOM 1301 HG12 VAL L 85 -17.504 -13.216 20.086 1.00 19.66 H +ATOM 1302 HG13 VAL L 85 -18.297 -12.333 18.759 1.00 19.66 H +ATOM 1303 HG21 VAL L 85 -17.809 -14.539 16.605 1.00 22.53 H +ATOM 1304 HG22 VAL L 85 -17.494 -12.814 16.300 1.00 22.53 H +ATOM 1305 HG23 VAL L 85 -16.196 -14.010 16.068 1.00 22.53 H +ATOM 1306 N TYR L 86 -15.500 -11.265 20.358 1.00 18.98 N +ATOM 1307 CA TYR L 86 -15.120 -10.999 21.739 1.00 18.44 C +ATOM 1308 C TYR L 86 -16.310 -11.318 22.644 1.00 20.03 C +ATOM 1309 O TYR L 86 -17.455 -10.966 22.316 1.00 23.76 O +ATOM 1310 CB TYR L 86 -14.673 -9.533 21.890 1.00 19.47 C +ATOM 1311 CG TYR L 86 -13.392 -9.256 21.139 1.00 19.36 C +ATOM 1312 CD1 TYR L 86 -13.408 -8.946 19.777 1.00 18.33 C +ATOM 1313 CD2 TYR L 86 -12.161 -9.354 21.779 1.00 20.43 C +ATOM 1314 CE1 TYR L 86 -12.203 -8.715 19.068 1.00 17.45 C +ATOM 1315 CE2 TYR L 86 -10.968 -9.126 21.098 1.00 19.93 C +ATOM 1316 CZ TYR L 86 -10.997 -8.814 19.745 1.00 16.40 C +ATOM 1317 OH TYR L 86 -9.812 -8.608 19.079 1.00 19.97 O +ATOM 1318 H TYR L 86 -16.097 -10.587 19.906 1.00 18.98 H +ATOM 1319 HA TYR L 86 -14.288 -11.650 22.007 1.00 18.44 H +ATOM 1320 HB3 TYR L 86 -14.531 -9.304 22.946 1.00 19.47 H +ATOM 1321 HB2 TYR L 86 -15.459 -8.874 21.521 1.00 19.47 H +ATOM 1322 HD1 TYR L 86 -14.348 -8.879 19.249 1.00 18.33 H +ATOM 1323 HD2 TYR L 86 -12.116 -9.612 22.827 1.00 20.43 H +ATOM 1324 HE1 TYR L 86 -12.234 -8.466 18.017 1.00 17.45 H +ATOM 1325 HE2 TYR L 86 -10.026 -9.192 21.622 1.00 19.93 H +ATOM 1326 HH TYR L 86 -9.993 -8.406 18.158 1.00 19.97 H +ATOM 1327 N PHE L 87 -16.041 -11.973 23.773 1.00 19.89 N +ATOM 1328 CA PHE L 87 -17.103 -12.368 24.717 1.00 22.04 C +ATOM 1329 C PHE L 87 -16.786 -11.897 26.126 1.00 23.59 C +ATOM 1330 O PHE L 87 -15.628 -12.000 26.578 1.00 22.97 O +ATOM 1331 CB PHE L 87 -17.239 -13.897 24.815 1.00 26.20 C +ATOM 1332 CG PHE L 87 -17.651 -14.585 23.546 1.00 28.04 C +ATOM 1333 CD1 PHE L 87 -19.005 -14.772 23.237 1.00 24.85 C +ATOM 1334 CD2 PHE L 87 -16.683 -15.109 22.688 1.00 24.24 C +ATOM 1335 CE1 PHE L 87 -19.386 -15.451 22.064 1.00 26.31 C +ATOM 1336 CE2 PHE L 87 -17.049 -15.786 21.502 1.00 25.34 C +ATOM 1337 CZ PHE L 87 -18.401 -15.972 21.199 1.00 24.59 C +ATOM 1338 H PHE L 87 -15.087 -12.213 24.003 1.00 19.89 H +ATOM 1339 HA PHE L 87 -18.052 -11.939 24.396 1.00 22.04 H +ATOM 1340 HB3 PHE L 87 -17.947 -14.146 25.606 1.00 26.20 H +ATOM 1341 HB2 PHE L 87 -16.298 -14.321 25.166 1.00 26.20 H +ATOM 1342 HD1 PHE L 87 -19.768 -14.394 23.901 1.00 24.85 H +ATOM 1343 HD2 PHE L 87 -15.635 -15.000 22.926 1.00 24.24 H +ATOM 1344 HE1 PHE L 87 -20.432 -15.573 21.826 1.00 26.31 H +ATOM 1345 HE2 PHE L 87 -16.285 -16.157 20.834 1.00 25.34 H +ATOM 1346 HZ PHE L 87 -18.693 -16.510 20.310 1.00 24.59 H +ATOM 1347 N CYS L 88 -17.799 -11.410 26.842 1.00 20.36 N +ATOM 1348 CA CYS L 88 -17.646 -11.257 28.293 1.00 21.84 C +ATOM 1349 C CYS L 88 -18.198 -12.488 29.013 1.00 22.85 C +ATOM 1350 O CYS L 88 -19.000 -13.255 28.451 1.00 22.24 O +ATOM 1351 CB CYS L 88 -18.308 -9.959 28.791 1.00 24.39 C +ATOM 1352 SG CYS L 88 -20.091 -9.910 28.543 1.00 26.38 S +ATOM 1353 H CYS L 88 -18.661 -11.150 26.385 1.00 20.36 H +ATOM 1354 HA CYS L 88 -16.580 -11.193 28.511 1.00 21.84 H +ATOM 1355 HB3 CYS L 88 -17.850 -9.105 28.292 1.00 24.39 H +ATOM 1356 HB2 CYS L 88 -18.086 -9.823 29.850 1.00 24.39 H +ATOM 1357 N GLN L 89 -17.740 -12.709 30.246 1.00 19.90 N +ATOM 1358 CA GLN L 89 -18.259 -13.788 31.059 1.00 18.99 C +ATOM 1359 C GLN L 89 -18.214 -13.347 32.505 1.00 19.22 C +ATOM 1360 O GLN L 89 -17.182 -12.844 32.958 1.00 21.88 O +ATOM 1361 CB GLN L 89 -17.404 -15.066 30.914 1.00 20.43 C +ATOM 1362 CG GLN L 89 -17.917 -16.246 31.750 1.00 19.18 C +ATOM 1363 CD GLN L 89 -16.810 -17.049 32.452 1.00 24.61 C +ATOM 1364 OE1 GLN L 89 -15.681 -17.239 31.784 1.00 27.95 O +ATOM 1365 NE2 GLN L 89 -16.975 -17.471 33.601 1.00 19.95 N +ATOM 1366 H GLN L 89 -17.017 -12.118 30.630 1.00 19.90 H +ATOM 1367 HA GLN L 89 -19.289 -14.001 30.772 1.00 18.99 H +ATOM 1368 HB3 GLN L 89 -16.374 -14.846 31.193 1.00 20.43 H +ATOM 1369 HB2 GLN L 89 -17.364 -15.357 29.864 1.00 20.43 H +ATOM 1370 HG3 GLN L 89 -18.499 -16.913 31.114 1.00 19.18 H +ATOM 1371 HG2 GLN L 89 -18.625 -15.881 32.494 1.00 19.18 H +ATOM 1372 HE22 GLN L 89 -16.243 -17.998 34.055 1.00 19.95 H +ATOM 1373 HE21 GLN L 89 -17.842 -17.289 34.086 1.00 19.95 H +ATOM 1374 N GLN L 90 -19.305 -13.572 33.228 1.00 18.26 N +ATOM 1375 CA GLN L 90 -19.306 -13.387 34.687 1.00 21.35 C +ATOM 1376 C GLN L 90 -19.155 -14.714 35.433 1.00 22.80 C +ATOM 1377 O GLN L 90 -19.644 -15.754 34.979 1.00 18.00 O +ATOM 1378 CB GLN L 90 -20.565 -12.647 35.181 1.00 20.66 C +ATOM 1379 CG GLN L 90 -21.924 -13.419 35.048 1.00 22.08 C +ATOM 1380 CD GLN L 90 -22.228 -14.363 36.225 1.00 19.24 C +ATOM 1381 OE1 GLN L 90 -21.806 -14.127 37.352 1.00 19.24 O +ATOM 1382 NE2 GLN L 90 -22.975 -15.435 35.952 1.00 20.78 N +ATOM 1383 H GLN L 90 -20.156 -13.876 32.777 1.00 18.26 H +ATOM 1384 HA GLN L 90 -18.444 -12.770 34.939 1.00 21.35 H +ATOM 1385 HB3 GLN L 90 -20.644 -11.689 34.666 1.00 20.66 H +ATOM 1386 HB2 GLN L 90 -20.422 -12.348 36.219 1.00 20.66 H +ATOM 1387 HG3 GLN L 90 -21.927 -13.988 34.118 1.00 22.08 H +ATOM 1388 HG2 GLN L 90 -22.738 -12.702 34.940 1.00 22.08 H +ATOM 1389 HE22 GLN L 90 -23.206 -16.089 36.686 1.00 20.78 H +ATOM 1390 HE21 GLN L 90 -23.309 -15.592 35.012 1.00 20.78 H +ATOM 1391 N ASP L 91 -18.488 -14.679 36.584 1.00 18.20 N +ATOM 1392 CA ASP L 91 -18.499 -15.854 37.466 1.00 18.30 C +ATOM 1393 C ASP L 91 -18.825 -15.483 38.905 1.00 16.88 C +ATOM 1394 O ASP L 91 -18.479 -16.204 39.841 1.00 19.33 O +ATOM 1395 CB ASP L 91 -17.206 -16.680 37.354 1.00 24.62 C +ATOM 1396 CG ASP L 91 -16.022 -16.015 38.025 1.00 23.38 C +ATOM 1397 OD1 ASP L 91 -15.446 -16.634 38.952 1.00 25.68 O +ATOM 1398 OD2 ASP L 91 -15.663 -14.889 37.619 1.00 28.85 O +ATOM 1399 H ASP L 91 -17.978 -13.848 36.847 1.00 18.20 H +ATOM 1400 HA ASP L 91 -19.309 -16.496 37.119 1.00 18.30 H +ATOM 1401 HB3 ASP L 91 -16.976 -16.853 36.303 1.00 24.62 H +ATOM 1402 HB2 ASP L 91 -17.366 -17.664 37.794 1.00 24.62 H +ATOM 1403 HD2 ASP L 91 -14.797 -14.546 38.205 1.00 28.85 H +ATOM 1404 N TYR L 92 -19.535 -14.367 39.080 1.00 17.10 N +ATOM 1405 CA TYR L 92 -20.003 -13.988 40.413 1.00 16.48 C +ATOM 1406 C TYR L 92 -21.072 -14.959 40.918 1.00 18.02 C +ATOM 1407 O TYR L 92 -20.977 -15.491 42.035 1.00 19.77 O +ATOM 1408 CB TYR L 92 -20.549 -12.556 40.422 1.00 21.74 C +ATOM 1409 CG TYR L 92 -20.952 -12.078 41.799 1.00 19.16 C +ATOM 1410 CD1 TYR L 92 -19.992 -11.603 42.692 1.00 18.99 C +ATOM 1411 CD2 TYR L 92 -22.290 -12.105 42.209 1.00 18.70 C +ATOM 1412 CE1 TYR L 92 -20.347 -11.173 43.958 1.00 20.83 C +ATOM 1413 CE2 TYR L 92 -22.660 -11.665 43.491 1.00 21.23 C +ATOM 1414 CZ TYR L 92 -21.671 -11.198 44.348 1.00 23.26 C +ATOM 1415 OH TYR L 92 -21.983 -10.763 45.606 1.00 22.90 O +ATOM 1416 H TYR L 92 -19.753 -13.778 38.289 1.00 17.10 H +ATOM 1417 HA TYR L 92 -19.155 -14.032 41.096 1.00 16.48 H +ATOM 1418 HB3 TYR L 92 -21.406 -12.491 39.751 1.00 21.74 H +ATOM 1419 HB2 TYR L 92 -19.800 -11.880 40.009 1.00 21.74 H +ATOM 1420 HD1 TYR L 92 -18.953 -11.567 42.399 1.00 18.99 H +ATOM 1421 HD2 TYR L 92 -23.054 -12.467 41.537 1.00 18.70 H +ATOM 1422 HE1 TYR L 92 -19.589 -10.818 44.640 1.00 20.83 H +ATOM 1423 HE2 TYR L 92 -23.696 -11.694 43.794 1.00 21.23 H +ATOM 1424 HH TYR L 92 -21.206 -10.819 46.167 1.00 22.90 H +ATOM 1425 N GLY L 93 -22.093 -15.168 40.092 1.00 18.99 N +ATOM 1426 CA GLY L 93 -23.190 -16.078 40.404 1.00 21.26 C +ATOM 1427 C GLY L 93 -22.971 -17.417 39.727 1.00 23.42 C +ATOM 1428 O GLY L 93 -22.155 -17.539 38.813 1.00 22.39 O +ATOM 1429 H GLY L 93 -22.132 -14.687 39.205 1.00 18.99 H +ATOM 1430 HA3 GLY L 93 -24.129 -15.646 40.059 1.00 21.26 H +ATOM 1431 HA2 GLY L 93 -23.247 -16.222 41.483 1.00 21.26 H +ATOM 1432 N SER L 94 -23.689 -18.427 40.200 1.00 20.67 N +ATOM 1433 CA SER L 94 -23.618 -19.756 39.618 1.00 23.59 C +ATOM 1434 C SER L 94 -24.926 -20.000 38.892 1.00 23.08 C +ATOM 1435 O SER L 94 -25.987 -19.740 39.455 1.00 23.53 O +ATOM 1436 CB SER L 94 -23.417 -20.818 40.703 1.00 27.08 C +ATOM 1437 OG SER L 94 -23.110 -22.064 40.106 1.00 30.36 O +ATOM 1438 H SER L 94 -24.307 -18.283 40.986 1.00 20.67 H +ATOM 1439 HA SER L 94 -22.793 -19.800 38.907 1.00 23.59 H +ATOM 1440 HB3 SER L 94 -24.329 -20.913 41.292 1.00 27.08 H +ATOM 1441 HB2 SER L 94 -22.599 -20.518 41.358 1.00 27.08 H +ATOM 1442 HG SER L 94 -23.832 -22.331 39.532 1.00 30.36 H +ATOM 1443 N PRO L 95 -24.863 -20.488 37.634 1.00 19.41 N +ATOM 1444 CA PRO L 95 -23.674 -20.844 36.881 1.00 18.03 C +ATOM 1445 C PRO L 95 -22.969 -19.635 36.262 1.00 19.56 C +ATOM 1446 O PRO L 95 -23.593 -18.571 36.098 1.00 21.35 O +ATOM 1447 CB PRO L 95 -24.242 -21.710 35.750 1.00 22.31 C +ATOM 1448 CG PRO L 95 -25.579 -21.110 35.487 1.00 19.34 C +ATOM 1449 CD PRO L 95 -26.091 -20.745 36.855 1.00 21.33 C +ATOM 1450 HA PRO L 95 -22.984 -21.419 37.498 1.00 18.03 H +ATOM 1451 HB3 PRO L 95 -24.370 -22.732 36.108 1.00 22.31 H +ATOM 1452 HB2 PRO L 95 -23.617 -21.600 34.864 1.00 22.31 H +ATOM 1453 HG3 PRO L 95 -26.232 -21.863 35.047 1.00 19.34 H +ATOM 1454 HG2 PRO L 95 -25.457 -20.204 34.894 1.00 19.34 H +ATOM 1455 HD2 PRO L 95 -26.674 -19.827 36.788 1.00 21.33 H +ATOM 1456 HD3 PRO L 95 -26.617 -21.599 37.283 1.00 21.33 H +ATOM 1457 N PRO L 96 -21.683 -19.802 35.910 1.00 21.43 N +ATOM 1458 CA PRO L 96 -21.021 -18.779 35.105 1.00 19.65 C +ATOM 1459 C PRO L 96 -21.821 -18.620 33.807 1.00 20.71 C +ATOM 1460 O PRO L 96 -22.408 -19.598 33.316 1.00 18.38 O +ATOM 1461 CB PRO L 96 -19.647 -19.381 34.821 1.00 20.54 C +ATOM 1462 CG PRO L 96 -19.440 -20.434 35.849 1.00 19.77 C +ATOM 1463 CD PRO L 96 -20.801 -20.946 36.211 1.00 22.41 C +ATOM 1464 HA PRO L 96 -20.941 -17.835 35.644 1.00 19.65 H +ATOM 1465 HB3 PRO L 96 -18.884 -18.611 34.933 1.00 20.54 H +ATOM 1466 HB2 PRO L 96 -19.649 -19.837 33.831 1.00 20.54 H +ATOM 1467 HG3 PRO L 96 -18.973 -19.994 36.730 1.00 19.77 H +ATOM 1468 HG2 PRO L 96 -18.849 -21.245 35.423 1.00 19.77 H +ATOM 1469 HD2 PRO L 96 -21.057 -21.780 35.557 1.00 22.41 H +ATOM 1470 HD3 PRO L 96 -20.834 -21.154 37.280 1.00 22.41 H +ATOM 1471 N THR L 97 -21.885 -17.395 33.288 1.00 19.36 N +ATOM 1472 CA THR L 97 -22.665 -17.103 32.078 1.00 20.56 C +ATOM 1473 C THR L 97 -21.889 -16.145 31.196 1.00 22.28 C +ATOM 1474 O THR L 97 -21.127 -15.328 31.707 1.00 21.86 O +ATOM 1475 CB THR L 97 -24.065 -16.489 32.381 1.00 19.82 C +ATOM 1476 OG1 THR L 97 -23.933 -15.334 33.218 1.00 23.21 O +ATOM 1477 CG2 THR L 97 -24.994 -17.512 33.076 1.00 21.12 C +ATOM 1478 H THR L 97 -21.388 -16.634 33.728 1.00 19.36 H +ATOM 1479 HA THR L 97 -22.810 -18.034 31.530 1.00 20.56 H +ATOM 1480 HB THR L 97 -24.523 -16.186 31.440 1.00 19.82 H +ATOM 1481 HG1 THR L 97 -24.799 -14.951 33.375 1.00 23.21 H +ATOM 1482 HG21 THR L 97 -25.962 -17.050 33.272 1.00 21.12 H +ATOM 1483 HG22 THR L 97 -25.130 -18.378 32.429 1.00 21.12 H +ATOM 1484 HG23 THR L 97 -24.546 -17.830 34.017 1.00 21.12 H +ATOM 1485 N PHE L 98 -22.095 -16.257 29.880 1.00 22.74 N +ATOM 1486 CA PHE L 98 -21.376 -15.462 28.880 1.00 20.07 C +ATOM 1487 C PHE L 98 -22.295 -14.457 28.200 1.00 18.00 C +ATOM 1488 O PHE L 98 -23.496 -14.700 28.060 1.00 21.84 O +ATOM 1489 CB PHE L 98 -20.804 -16.385 27.793 1.00 23.02 C +ATOM 1490 CG PHE L 98 -19.735 -17.328 28.287 1.00 21.68 C +ATOM 1491 CD1 PHE L 98 -18.385 -17.076 28.016 1.00 22.81 C +ATOM 1492 CD2 PHE L 98 -20.079 -18.487 28.978 1.00 23.24 C +ATOM 1493 CE1 PHE L 98 -17.377 -17.968 28.458 1.00 22.33 C +ATOM 1494 CE2 PHE L 98 -19.088 -19.372 29.429 1.00 23.21 C +ATOM 1495 CZ PHE L 98 -17.748 -19.111 29.165 1.00 19.90 C +ATOM 1496 H PHE L 98 -22.776 -16.916 29.530 1.00 22.74 H +ATOM 1497 HA PHE L 98 -20.558 -14.929 29.365 1.00 20.07 H +ATOM 1498 HB3 PHE L 98 -20.404 -15.780 26.979 1.00 23.02 H +ATOM 1499 HB2 PHE L 98 -21.614 -16.960 27.344 1.00 23.02 H +ATOM 1500 HD1 PHE L 98 -18.101 -16.193 27.464 1.00 22.81 H +ATOM 1501 HD2 PHE L 98 -21.117 -18.712 29.172 1.00 23.24 H +ATOM 1502 HE1 PHE L 98 -16.339 -17.758 28.246 1.00 22.33 H +ATOM 1503 HE2 PHE L 98 -19.366 -20.257 29.982 1.00 23.21 H +ATOM 1504 HZ PHE L 98 -16.992 -19.801 29.512 1.00 19.90 H +ATOM 1505 N GLY L 99 -21.734 -13.345 27.749 1.00 22.54 N +ATOM 1506 CA GLY L 99 -22.445 -12.455 26.811 1.00 22.43 C +ATOM 1507 C GLY L 99 -22.571 -13.103 25.433 1.00 22.10 C +ATOM 1508 O GLY L 99 -21.965 -14.154 25.163 1.00 22.87 O +ATOM 1509 H GLY L 99 -20.802 -13.093 28.047 1.00 22.54 H +ATOM 1510 HA3 GLY L 99 -21.902 -11.514 26.721 1.00 22.43 H +ATOM 1511 HA2 GLY L 99 -23.439 -12.236 27.201 1.00 22.43 H +ATOM 1512 N GLY L 100 -23.341 -12.478 24.546 1.00 21.60 N +ATOM 1513 CA GLY L 100 -23.643 -13.083 23.249 1.00 23.91 C +ATOM 1514 C GLY L 100 -22.558 -12.908 22.199 1.00 26.72 C +ATOM 1515 O GLY L 100 -22.652 -13.453 21.098 1.00 26.02 O +ATOM 1516 H GLY L 100 -23.728 -11.571 24.763 1.00 21.60 H +ATOM 1517 HA3 GLY L 100 -24.581 -12.676 22.870 1.00 23.91 H +ATOM 1518 HA2 GLY L 100 -23.846 -14.145 23.385 1.00 23.91 H +ATOM 1519 N GLY L 101 -21.529 -12.137 22.525 1.00 23.90 N +ATOM 1520 CA GLY L 101 -20.441 -11.913 21.569 1.00 26.18 C +ATOM 1521 C GLY L 101 -20.562 -10.625 20.777 1.00 21.67 C +ATOM 1522 O GLY L 101 -21.671 -10.131 20.504 1.00 21.84 O +ATOM 1523 H GLY L 101 -21.493 -11.701 23.435 1.00 23.90 H +ATOM 1524 HA3 GLY L 101 -20.386 -12.756 20.881 1.00 26.18 H +ATOM 1525 HA2 GLY L 101 -19.488 -11.924 22.098 1.00 26.18 H +ATOM 1526 N THR L 102 -19.405 -10.058 20.443 1.00 19.52 N +ATOM 1527 CA THR L 102 -19.298 -8.945 19.499 1.00 19.39 C +ATOM 1528 C THR L 102 -18.282 -9.300 18.417 1.00 19.99 C +ATOM 1529 O THR L 102 -17.118 -9.563 18.723 1.00 19.19 O +ATOM 1530 CB THR L 102 -18.824 -7.641 20.188 1.00 21.48 C +ATOM 1531 OG1 THR L 102 -19.761 -7.246 21.195 1.00 23.95 O +ATOM 1532 CG2 THR L 102 -18.669 -6.526 19.163 1.00 19.84 C +ATOM 1533 H THR L 102 -18.543 -10.394 20.847 1.00 19.52 H +ATOM 1534 HA THR L 102 -20.270 -8.773 19.036 1.00 19.39 H +ATOM 1535 HB THR L 102 -17.858 -7.823 20.659 1.00 21.48 H +ATOM 1536 HG1 THR L 102 -20.409 -6.649 20.813 1.00 23.95 H +ATOM 1537 HG21 THR L 102 -18.335 -5.616 19.662 1.00 19.84 H +ATOM 1538 HG22 THR L 102 -17.933 -6.820 18.414 1.00 19.84 H +ATOM 1539 HG23 THR L 102 -19.627 -6.343 18.677 1.00 19.84 H +ATOM 1540 N LYS L 103 -18.730 -9.308 17.159 1.00 19.78 N +ATOM 1541 CA LYS L 103 -17.863 -9.593 16.019 1.00 21.79 C +ATOM 1542 C LYS L 103 -17.212 -8.312 15.524 1.00 18.86 C +ATOM 1543 O LYS L 103 -17.893 -7.345 15.156 1.00 21.05 O +ATOM 1544 CB LYS L 103 -18.631 -10.266 14.884 1.00 24.31 C +ATOM 1545 CG LYS L 103 -17.735 -10.781 13.774 1.00 21.92 C +ATOM 1546 CD LYS L 103 -18.541 -11.469 12.688 1.00 27.02 C +ATOM 1547 CE LYS L 103 -17.625 -12.136 11.671 1.00 28.41 C +ATOM 1548 NZ LYS L 103 -18.394 -12.713 10.518 1.00 35.82 N +ATOM 1549 H LYS L 103 -19.702 -9.112 16.968 1.00 19.78 H +ATOM 1550 HA LYS L 103 -17.076 -10.271 16.349 1.00 21.79 H +ATOM 1551 HB3 LYS L 103 -19.353 -9.563 14.469 1.00 24.31 H +ATOM 1552 HB2 LYS L 103 -19.221 -11.090 15.285 1.00 24.31 H +ATOM 1553 HG3 LYS L 103 -17.011 -11.483 14.188 1.00 21.92 H +ATOM 1554 HG2 LYS L 103 -17.179 -9.949 13.341 1.00 21.92 H +ATOM 1555 HD3 LYS L 103 -19.170 -10.736 12.184 1.00 27.02 H +ATOM 1556 HD2 LYS L 103 -19.191 -12.219 13.138 1.00 27.02 H +ATOM 1557 HE3 LYS L 103 -17.056 -12.927 12.159 1.00 28.41 H +ATOM 1558 HE2 LYS L 103 -16.905 -11.407 11.298 1.00 28.41 H +ATOM 1559 HZ1 LYS L 103 -18.653 -11.973 9.881 1.00 35.82 H +ATOM 1560 HZ2 LYS L 103 -17.820 -13.388 10.034 1.00 35.82 H +ATOM 1561 HZ3 LYS L 103 -19.228 -13.167 10.862 1.00 35.82 H +ATOM 1562 N VAL L 104 -15.885 -8.304 15.574 1.00 20.01 N +ATOM 1563 CA VAL L 104 -15.091 -7.170 15.120 1.00 19.98 C +ATOM 1564 C VAL L 104 -14.525 -7.552 13.755 1.00 21.17 C +ATOM 1565 O VAL L 104 -13.727 -8.499 13.641 1.00 19.37 O +ATOM 1566 CB VAL L 104 -13.960 -6.833 16.120 1.00 20.13 C +ATOM 1567 CG1 VAL L 104 -13.035 -5.738 15.564 1.00 22.47 C +ATOM 1568 CG2 VAL L 104 -14.554 -6.408 17.473 1.00 19.90 C +ATOM 1569 H VAL L 104 -15.388 -9.105 15.937 1.00 20.01 H +ATOM 1570 HA VAL L 104 -15.740 -6.301 15.008 1.00 19.98 H +ATOM 1571 HB VAL L 104 -13.366 -7.733 16.277 1.00 20.13 H +ATOM 1572 HG11 VAL L 104 -12.250 -5.522 16.289 1.00 22.47 H +ATOM 1573 HG12 VAL L 104 -12.585 -6.081 14.632 1.00 22.47 H +ATOM 1574 HG13 VAL L 104 -13.614 -4.834 15.376 1.00 22.47 H +ATOM 1575 HG21 VAL L 104 -13.747 -6.174 18.167 1.00 19.90 H +ATOM 1576 HG22 VAL L 104 -15.181 -5.527 17.335 1.00 19.90 H +ATOM 1577 HG23 VAL L 104 -15.156 -7.222 17.878 1.00 19.90 H +ATOM 1578 N GLU L 105 -14.995 -6.843 12.731 1.00 18.87 N +ATOM 1579 CA GLU L 105 -14.584 -7.052 11.353 1.00 23.04 C +ATOM 1580 C GLU L 105 -13.755 -5.858 10.929 1.00 21.26 C +ATOM 1581 O GLU L 105 -13.931 -4.760 11.457 1.00 20.69 O +ATOM 1582 CB GLU L 105 -15.800 -7.152 10.425 1.00 27.79 C +ATOM 1583 CG GLU L 105 -16.849 -8.186 10.813 1.00 31.42 C +ATOM 1584 CD GLU L 105 -17.827 -8.470 9.661 1.00 36.30 C +ATOM 1585 OE1 GLU L 105 -17.992 -7.605 8.780 1.00 43.09 O +ATOM 1586 OE2 GLU L 105 -18.421 -9.562 9.631 1.00 41.49 O +ATOM 1587 H GLU L 105 -15.675 -6.114 12.892 1.00 18.87 H +ATOM 1588 HA GLU L 105 -13.987 -7.961 11.279 1.00 23.04 H +ATOM 1589 HB3 GLU L 105 -15.461 -7.348 9.408 1.00 27.79 H +ATOM 1590 HB2 GLU L 105 -16.272 -6.173 10.344 1.00 27.79 H +ATOM 1591 HG3 GLU L 105 -17.404 -7.831 11.681 1.00 31.42 H +ATOM 1592 HG2 GLU L 105 -16.354 -9.112 11.105 1.00 31.42 H +ATOM 1593 N ILE L 106 -12.867 -6.062 9.960 1.00 17.24 N +ATOM 1594 CA ILE L 106 -11.906 -5.012 9.593 1.00 16.64 C +ATOM 1595 C ILE L 106 -12.276 -4.411 8.248 1.00 16.56 C +ATOM 1596 O ILE L 106 -12.566 -5.129 7.289 1.00 17.39 O +ATOM 1597 CB ILE L 106 -10.427 -5.528 9.584 1.00 18.59 C +ATOM 1598 CG1 ILE L 106 -10.038 -6.138 10.954 1.00 18.17 C +ATOM 1599 CG2 ILE L 106 -9.442 -4.415 9.083 1.00 16.72 C +ATOM 1600 CD1 ILE L 106 -9.928 -5.147 12.133 1.00 20.43 C +ATOM 1601 H ILE L 106 -12.849 -6.945 9.469 1.00 17.24 H +ATOM 1602 HA ILE L 106 -11.977 -4.222 10.340 1.00 16.64 H +ATOM 1603 HB ILE L 106 -10.382 -6.338 8.856 1.00 18.59 H +ATOM 1604 HG13 ILE L 106 -9.098 -6.681 10.852 1.00 18.17 H +ATOM 1605 HG12 ILE L 106 -10.747 -6.925 11.211 1.00 18.17 H +ATOM 1606 HG21 ILE L 106 -8.423 -4.802 9.088 1.00 16.72 H +ATOM 1607 HG22 ILE L 106 -9.713 -4.119 8.070 1.00 16.72 H +ATOM 1608 HG23 ILE L 106 -9.504 -3.550 9.743 1.00 16.72 H +ATOM 1609 HD11 ILE L 106 -9.651 -5.688 13.038 1.00 20.43 H +ATOM 1610 HD12 ILE L 106 -9.167 -4.399 11.910 1.00 20.43 H +ATOM 1611 HD13 ILE L 106 -10.888 -4.654 12.285 1.00 20.43 H +ATOM 1612 N LYS L 107 -12.319 -3.081 8.215 1.00 17.14 N +ATOM 1613 CA LYS L 107 -12.482 -2.314 6.989 1.00 16.59 C +ATOM 1614 C LYS L 107 -11.093 -1.998 6.428 1.00 18.69 C +ATOM 1615 O LYS L 107 -10.174 -1.695 7.194 1.00 18.48 O +ATOM 1616 CB LYS L 107 -13.250 -1.016 7.294 1.00 20.12 C +ATOM 1617 CG LYS L 107 -13.518 -0.148 6.093 1.00 27.28 C +ATOM 1618 CD LYS L 107 -13.999 1.241 6.526 1.00 31.57 C +ATOM 1619 CE LYS L 107 -14.032 2.204 5.338 1.00 38.48 C +ATOM 1620 NZ LYS L 107 -12.676 2.541 4.778 1.00 40.54 N +ATOM 1621 H LYS L 107 -12.237 -2.552 9.071 1.00 17.14 H +ATOM 1622 HA LYS L 107 -13.041 -2.904 6.263 1.00 16.59 H +ATOM 1623 HB3 LYS L 107 -12.703 -0.440 8.041 1.00 20.12 H +ATOM 1624 HB2 LYS L 107 -14.194 -1.261 7.780 1.00 20.12 H +ATOM 1625 HG3 LYS L 107 -14.278 -0.617 5.469 1.00 27.28 H +ATOM 1626 HG2 LYS L 107 -12.605 -0.049 5.506 1.00 27.28 H +ATOM 1627 HD3 LYS L 107 -13.331 1.634 7.293 1.00 31.57 H +ATOM 1628 HD2 LYS L 107 -14.997 1.161 6.957 1.00 31.57 H +ATOM 1629 HE3 LYS L 107 -14.540 3.123 5.632 1.00 38.48 H +ATOM 1630 HE2 LYS L 107 -14.654 1.783 4.549 1.00 38.48 H +ATOM 1631 HZ1 LYS L 107 -12.223 1.696 4.461 1.00 40.54 H +ATOM 1632 HZ2 LYS L 107 -12.781 3.178 4.001 1.00 40.54 H +ATOM 1633 HZ3 LYS L 107 -12.113 2.976 5.495 1.00 40.54 H +ATOM 1634 N ARG L 108 -10.936 -2.104 5.107 1.00 18.15 N +ATOM 1635 CA ARG L 108 -9.654 -1.787 4.444 1.00 18.11 C +ATOM 1636 C ARG L 108 -9.904 -1.208 3.057 1.00 24.00 C +ATOM 1637 O ARG L 108 -11.058 -1.057 2.648 1.00 22.15 O +ATOM 1638 CB ARG L 108 -8.723 -3.019 4.382 1.00 19.11 C +ATOM 1639 CG ARG L 108 -9.308 -4.258 3.690 1.00 19.85 C +ATOM 1640 CD ARG L 108 -8.220 -5.085 3.011 1.00 21.70 C +ATOM 1641 NE ARG L 108 -7.625 -4.385 1.861 1.00 23.65 N +ATOM 1642 CZ ARG L 108 -6.433 -4.652 1.332 1.00 25.37 C +ATOM 1643 NH1 ARG L 108 -5.658 -5.615 1.834 1.00 19.64 N +ATOM 1644 NH2 ARG L 108 -6.013 -3.947 0.289 1.00 22.54 N +ATOM 1645 H ARG L 108 -11.707 -2.409 4.530 1.00 18.15 H +ATOM 1646 HA ARG L 108 -9.153 -1.022 5.038 1.00 18.11 H +ATOM 1647 HB3 ARG L 108 -8.410 -3.285 5.392 1.00 19.11 H +ATOM 1648 HB2 ARG L 108 -7.790 -2.741 3.893 1.00 19.11 H +ATOM 1649 HG3 ARG L 108 -10.043 -3.946 2.948 1.00 19.85 H +ATOM 1650 HG2 ARG L 108 -9.826 -4.874 4.425 1.00 19.85 H +ATOM 1651 HD3 ARG L 108 -8.640 -6.035 2.680 1.00 21.70 H +ATOM 1652 HD2 ARG L 108 -7.440 -5.322 3.735 1.00 21.70 H +ATOM 1653 HE ARG L 108 -8.198 -3.650 1.471 1.00 23.65 H +ATOM 1654 HH12 ARG L 108 -4.756 -5.805 1.420 1.00 19.64 H +ATOM 1655 HH11 ARG L 108 -5.973 -6.155 2.628 1.00 19.64 H +ATOM 1656 HH22 ARG L 108 -5.110 -4.140 -0.121 1.00 22.54 H +ATOM 1657 HH21 ARG L 108 -6.596 -3.217 -0.095 1.00 22.54 H +ATOM 1658 N THR L 109 -8.829 -0.876 2.343 1.00 20.88 N +ATOM 1659 CA THR L 109 -8.950 -0.417 0.953 1.00 18.89 C +ATOM 1660 C THR L 109 -9.388 -1.554 0.014 1.00 19.37 C +ATOM 1661 O THR L 109 -9.221 -2.747 0.305 1.00 19.63 O +ATOM 1662 CB THR L 109 -7.619 0.204 0.434 1.00 21.72 C +ATOM 1663 OG1 THR L 109 -6.573 -0.770 0.512 1.00 22.31 O +ATOM 1664 CG2 THR L 109 -7.243 1.446 1.252 1.00 24.06 C +ATOM 1665 H THR L 109 -7.909 -0.938 2.756 1.00 20.88 H +ATOM 1666 HA THR L 109 -9.716 0.358 0.921 1.00 18.89 H +ATOM 1667 HB THR L 109 -7.750 0.496 -0.608 1.00 21.72 H +ATOM 1668 HG1 THR L 109 -5.753 -0.386 0.192 1.00 22.31 H +ATOM 1669 HG21 THR L 109 -6.310 1.863 0.872 1.00 24.06 H +ATOM 1670 HG22 THR L 109 -8.035 2.191 1.168 1.00 24.06 H +ATOM 1671 HG23 THR L 109 -7.117 1.168 2.298 1.00 24.06 H +ATOM 1672 N VAL L 110 -9.944 -1.174 -1.128 1.00 20.38 N +ATOM 1673 CA VAL L 110 -10.332 -2.152 -2.146 1.00 19.13 C +ATOM 1674 C VAL L 110 -9.129 -2.975 -2.640 1.00 22.18 C +ATOM 1675 O VAL L 110 -8.020 -2.449 -2.819 1.00 18.81 O +ATOM 1676 CB VAL L 110 -11.069 -1.454 -3.320 1.00 19.16 C +ATOM 1677 CG1 VAL L 110 -11.302 -2.414 -4.479 1.00 21.18 C +ATOM 1678 CG2 VAL L 110 -12.405 -0.942 -2.831 1.00 24.66 C +ATOM 1679 H VAL L 110 -10.107 -0.194 -1.309 1.00 20.38 H +ATOM 1680 HA VAL L 110 -11.035 -2.845 -1.684 1.00 19.13 H +ATOM 1681 HB VAL L 110 -10.470 -0.613 -3.668 1.00 19.16 H +ATOM 1682 HG11 VAL L 110 -11.820 -1.893 -5.284 1.00 21.18 H +ATOM 1683 HG12 VAL L 110 -10.344 -2.784 -4.844 1.00 21.18 H +ATOM 1684 HG13 VAL L 110 -11.909 -3.253 -4.140 1.00 21.18 H +ATOM 1685 HG21 VAL L 110 -12.928 -0.450 -3.651 1.00 24.66 H +ATOM 1686 HG22 VAL L 110 -13.004 -1.777 -2.467 1.00 24.66 H +ATOM 1687 HG23 VAL L 110 -12.247 -0.229 -2.022 1.00 24.66 H +ATOM 1688 N ALA L 111 -9.363 -4.270 -2.824 1.00 19.91 N +ATOM 1689 CA ALA L 111 -8.375 -5.170 -3.396 1.00 21.36 C +ATOM 1690 C ALA L 111 -9.073 -6.049 -4.418 1.00 20.81 C +ATOM 1691 O ALA L 111 -10.060 -6.724 -4.100 1.00 20.00 O +ATOM 1692 CB ALA L 111 -7.732 -6.031 -2.307 1.00 20.26 C +ATOM 1693 H ALA L 111 -10.256 -4.664 -2.563 1.00 19.91 H +ATOM 1694 HA ALA L 111 -7.602 -4.585 -3.894 1.00 21.36 H +ATOM 1695 HB1 ALA L 111 -6.996 -6.697 -2.757 1.00 20.26 H +ATOM 1696 HB2 ALA L 111 -7.241 -5.388 -1.577 1.00 20.26 H +ATOM 1697 HB3 ALA L 111 -8.501 -6.623 -1.810 1.00 20.26 H +ATOM 1698 N ALA L 112 -8.560 -6.026 -5.643 1.00 20.22 N +ATOM 1699 CA ALA L 112 -9.038 -6.885 -6.729 1.00 21.25 C +ATOM 1700 C ALA L 112 -8.658 -8.347 -6.507 1.00 21.98 C +ATOM 1701 O ALA L 112 -7.540 -8.626 -6.057 1.00 22.29 O +ATOM 1702 CB ALA L 112 -8.458 -6.399 -8.077 1.00 23.09 C +ATOM 1703 H ALA L 112 -7.803 -5.394 -5.862 1.00 20.22 H +ATOM 1704 HA ALA L 112 -10.125 -6.813 -6.774 1.00 21.25 H +ATOM 1705 HB1 ALA L 112 -8.817 -7.042 -8.881 1.00 23.09 H +ATOM 1706 HB2 ALA L 112 -8.778 -5.374 -8.262 1.00 23.09 H +ATOM 1707 HB3 ALA L 112 -7.369 -6.438 -8.040 1.00 23.09 H +ATOM 1708 N PRO L 113 -9.566 -9.280 -6.865 1.00 21.22 N +ATOM 1709 CA PRO L 113 -9.259 -10.702 -6.765 1.00 22.08 C +ATOM 1710 C PRO L 113 -8.306 -11.140 -7.861 1.00 22.76 C +ATOM 1711 O PRO L 113 -8.343 -10.592 -8.972 1.00 22.37 O +ATOM 1712 CB PRO L 113 -10.618 -11.384 -6.959 1.00 22.05 C +ATOM 1713 CG PRO L 113 -11.443 -10.417 -7.738 1.00 21.48 C +ATOM 1714 CD PRO L 113 -10.930 -9.035 -7.391 1.00 20.81 C +ATOM 1715 HA PRO L 113 -8.848 -10.938 -5.783 1.00 22.08 H +ATOM 1716 HB3 PRO L 113 -11.080 -11.553 -5.986 1.00 22.05 H +ATOM 1717 HB2 PRO L 113 -10.485 -12.297 -7.540 1.00 22.05 H +ATOM 1718 HG3 PRO L 113 -12.486 -10.503 -7.434 1.00 21.48 H +ATOM 1719 HG2 PRO L 113 -11.304 -10.598 -8.804 1.00 21.48 H +ATOM 1720 HD2 PRO L 113 -10.864 -8.436 -8.299 1.00 20.81 H +ATOM 1721 HD3 PRO L 113 -11.549 -8.608 -6.602 1.00 20.81 H +ATOM 1722 N SER L 114 -7.450 -12.098 -7.523 1.00 22.74 N +ATOM 1723 CA SER L 114 -6.746 -12.902 -8.516 1.00 23.31 C +ATOM 1724 C SER L 114 -7.648 -14.086 -8.846 1.00 24.12 C +ATOM 1725 O SER L 114 -8.135 -14.775 -7.947 1.00 22.99 O +ATOM 1726 CB SER L 114 -5.405 -13.378 -7.959 1.00 25.57 C +ATOM 1727 OG SER L 114 -4.570 -12.255 -7.673 1.00 29.66 O +ATOM 1728 H SER L 114 -7.267 -12.291 -6.549 1.00 22.74 H +ATOM 1729 HA SER L 114 -6.579 -12.308 -9.415 1.00 23.31 H +ATOM 1730 HB3 SER L 114 -4.914 -14.018 -8.692 1.00 25.57 H +ATOM 1731 HB2 SER L 114 -5.573 -13.948 -7.045 1.00 25.57 H +ATOM 1732 HG SER L 114 -5.000 -11.693 -7.024 1.00 29.66 H +ATOM 1733 N VAL L 115 -7.874 -14.318 -10.133 1.00 17.87 N +ATOM 1734 CA VAL L 115 -8.886 -15.298 -10.549 1.00 20.84 C +ATOM 1735 C VAL L 115 -8.201 -16.466 -11.254 1.00 22.81 C +ATOM 1736 O VAL L 115 -7.331 -16.258 -12.107 1.00 19.44 O +ATOM 1737 CB VAL L 115 -9.953 -14.667 -11.479 1.00 20.66 C +ATOM 1738 CG1 VAL L 115 -11.025 -15.694 -11.854 1.00 20.38 C +ATOM 1739 CG2 VAL L 115 -10.607 -13.430 -10.809 1.00 21.44 C +ATOM 1740 H VAL L 115 -7.348 -13.819 -10.836 1.00 17.87 H +ATOM 1741 HA VAL L 115 -9.386 -15.678 -9.658 1.00 20.84 H +ATOM 1742 HB VAL L 115 -9.459 -14.339 -12.394 1.00 20.66 H +ATOM 1743 HG11 VAL L 115 -11.763 -15.228 -12.507 1.00 20.38 H +ATOM 1744 HG12 VAL L 115 -10.560 -16.533 -12.372 1.00 20.38 H +ATOM 1745 HG13 VAL L 115 -11.516 -16.054 -10.950 1.00 20.38 H +ATOM 1746 HG21 VAL L 115 -11.352 -13.004 -11.481 1.00 21.44 H +ATOM 1747 HG22 VAL L 115 -11.087 -13.732 -9.878 1.00 21.44 H +ATOM 1748 HG23 VAL L 115 -9.841 -12.684 -10.597 1.00 21.44 H +ATOM 1749 N PHE L 116 -8.621 -17.683 -10.901 1.00 21.52 N +ATOM 1750 CA PHE L 116 -8.055 -18.916 -11.427 1.00 19.85 C +ATOM 1751 C PHE L 116 -9.210 -19.857 -11.763 1.00 21.75 C +ATOM 1752 O PHE L 116 -10.240 -19.846 -11.079 1.00 21.32 O +ATOM 1753 CB PHE L 116 -7.147 -19.596 -10.383 1.00 18.72 C +ATOM 1754 CG PHE L 116 -6.034 -18.714 -9.855 1.00 21.11 C +ATOM 1755 CD1 PHE L 116 -4.760 -18.766 -10.410 1.00 24.72 C +ATOM 1756 CD2 PHE L 116 -6.258 -17.873 -8.763 1.00 24.81 C +ATOM 1757 CE1 PHE L 116 -3.723 -17.952 -9.912 1.00 23.06 C +ATOM 1758 CE2 PHE L 116 -5.241 -17.054 -8.257 1.00 25.79 C +ATOM 1759 CZ PHE L 116 -3.974 -17.105 -8.821 1.00 22.71 C +ATOM 1760 H PHE L 116 -9.372 -17.784 -10.233 1.00 21.52 H +ATOM 1761 HA PHE L 116 -7.481 -18.702 -12.329 1.00 19.85 H +ATOM 1762 HB3 PHE L 116 -6.718 -20.501 -10.813 1.00 18.72 H +ATOM 1763 HB2 PHE L 116 -7.755 -19.948 -9.550 1.00 18.72 H +ATOM 1764 HD1 PHE L 116 -4.556 -19.436 -11.232 1.00 24.72 H +ATOM 1765 HD2 PHE L 116 -7.230 -17.846 -8.293 1.00 24.81 H +ATOM 1766 HE1 PHE L 116 -2.745 -17.983 -10.369 1.00 23.06 H +ATOM 1767 HE2 PHE L 116 -5.445 -16.387 -7.432 1.00 25.79 H +ATOM 1768 HZ PHE L 116 -3.181 -16.492 -8.420 1.00 22.71 H +ATOM 1769 N ILE L 117 -9.045 -20.664 -12.807 1.00 17.67 N +ATOM 1770 CA ILE L 117 -10.057 -21.689 -13.133 1.00 19.86 C +ATOM 1771 C ILE L 117 -9.432 -23.086 -13.231 1.00 21.99 C +ATOM 1772 O ILE L 117 -8.311 -23.220 -13.705 1.00 19.65 O +ATOM 1773 CB ILE L 117 -10.888 -21.325 -14.420 1.00 18.54 C +ATOM 1774 CG1 ILE L 117 -12.155 -22.183 -14.529 1.00 19.17 C +ATOM 1775 CG2 ILE L 117 -10.020 -21.416 -15.701 1.00 19.00 C +ATOM 1776 CD1 ILE L 117 -13.053 -21.835 -15.744 1.00 17.17 C +ATOM 1777 H ILE L 117 -8.222 -20.579 -13.386 1.00 17.67 H +ATOM 1778 HA ILE L 117 -10.760 -21.715 -12.300 1.00 19.86 H +ATOM 1779 HB ILE L 117 -11.207 -20.288 -14.317 1.00 18.54 H +ATOM 1780 HG13 ILE L 117 -12.736 -22.088 -13.612 1.00 19.17 H +ATOM 1781 HG12 ILE L 117 -11.876 -23.236 -14.576 1.00 19.17 H +ATOM 1782 HG21 ILE L 117 -10.626 -21.158 -16.570 1.00 19.00 H +ATOM 1783 HG22 ILE L 117 -9.183 -20.722 -15.623 1.00 19.00 H +ATOM 1784 HG23 ILE L 117 -9.640 -22.432 -15.812 1.00 19.00 H +ATOM 1785 HD11 ILE L 117 -13.927 -22.486 -15.749 1.00 17.17 H +ATOM 1786 HD12 ILE L 117 -13.375 -20.796 -15.673 1.00 17.17 H +ATOM 1787 HD13 ILE L 117 -12.489 -21.978 -16.666 1.00 17.17 H +ATOM 1788 N PHE L 118 -10.154 -24.111 -12.768 1.00 18.25 N +ATOM 1789 CA PHE L 118 -9.645 -25.484 -12.723 1.00 16.34 C +ATOM 1790 C PHE L 118 -10.636 -26.402 -13.414 1.00 18.55 C +ATOM 1791 O PHE L 118 -11.797 -26.471 -12.993 1.00 20.46 O +ATOM 1792 CB PHE L 118 -9.453 -25.980 -11.279 1.00 16.80 C +ATOM 1793 CG PHE L 118 -8.479 -25.154 -10.463 1.00 17.80 C +ATOM 1794 CD1 PHE L 118 -7.114 -25.462 -10.448 1.00 19.76 C +ATOM 1795 CD2 PHE L 118 -8.932 -24.085 -9.689 1.00 18.92 C +ATOM 1796 CE1 PHE L 118 -6.216 -24.710 -9.672 1.00 18.44 C +ATOM 1797 CE2 PHE L 118 -8.040 -23.319 -8.915 1.00 21.28 C +ATOM 1798 CZ PHE L 118 -6.689 -23.641 -8.907 1.00 20.87 C +ATOM 1799 H PHE L 118 -11.093 -23.955 -12.430 1.00 18.25 H +ATOM 1800 HA PHE L 118 -8.690 -25.529 -13.247 1.00 16.34 H +ATOM 1801 HB3 PHE L 118 -9.121 -27.018 -11.295 1.00 16.80 H +ATOM 1802 HB2 PHE L 118 -10.419 -26.003 -10.774 1.00 16.80 H +ATOM 1803 HD1 PHE L 118 -6.740 -26.286 -11.037 1.00 19.76 H +ATOM 1804 HD2 PHE L 118 -9.982 -23.834 -9.677 1.00 18.92 H +ATOM 1805 HE1 PHE L 118 -5.165 -24.959 -9.669 1.00 18.44 H +ATOM 1806 HE2 PHE L 118 -8.408 -22.487 -8.333 1.00 21.28 H +ATOM 1807 HZ PHE L 118 -6.003 -23.062 -8.307 1.00 20.87 H +ATOM 1808 N PRO L 119 -10.199 -27.094 -14.490 1.00 20.08 N +ATOM 1809 CA PRO L 119 -11.058 -28.120 -15.082 1.00 20.05 C +ATOM 1810 C PRO L 119 -11.235 -29.290 -14.113 1.00 21.12 C +ATOM 1811 O PRO L 119 -10.505 -29.371 -13.116 1.00 22.08 O +ATOM 1812 CB PRO L 119 -10.276 -28.569 -16.330 1.00 20.40 C +ATOM 1813 CG PRO L 119 -9.288 -27.488 -16.588 1.00 23.24 C +ATOM 1814 CD PRO L 119 -8.935 -26.941 -15.235 1.00 22.00 C +ATOM 1815 HA PRO L 119 -12.024 -27.700 -15.362 1.00 20.05 H +ATOM 1816 HB3 PRO L 119 -10.958 -28.645 -17.177 1.00 20.40 H +ATOM 1817 HB2 PRO L 119 -9.748 -29.497 -16.111 1.00 20.40 H +ATOM 1818 HG3 PRO L 119 -9.756 -26.705 -17.184 1.00 23.24 H +ATOM 1819 HG2 PRO L 119 -8.397 -27.915 -17.049 1.00 23.24 H +ATOM 1820 HD2 PRO L 119 -8.172 -27.573 -14.780 1.00 22.00 H +ATOM 1821 HD3 PRO L 119 -8.699 -25.881 -15.327 1.00 22.00 H +ATOM 1822 N PRO L 120 -12.231 -30.160 -14.366 1.00 23.87 N +ATOM 1823 CA PRO L 120 -12.364 -31.365 -13.548 1.00 21.04 C +ATOM 1824 C PRO L 120 -11.147 -32.276 -13.729 1.00 21.97 C +ATOM 1825 O PRO L 120 -10.531 -32.288 -14.811 1.00 21.00 O +ATOM 1826 CB PRO L 120 -13.622 -32.042 -14.109 1.00 24.08 C +ATOM 1827 CG PRO L 120 -13.854 -31.427 -15.458 1.00 24.03 C +ATOM 1828 CD PRO L 120 -13.296 -30.050 -15.385 1.00 21.77 C +ATOM 1829 HA PRO L 120 -12.500 -31.106 -12.498 1.00 21.04 H +ATOM 1830 HB3 PRO L 120 -14.470 -31.823 -13.461 1.00 24.08 H +ATOM 1831 HB2 PRO L 120 -13.437 -33.110 -14.225 1.00 24.08 H +ATOM 1832 HG3 PRO L 120 -14.925 -31.374 -15.652 1.00 24.03 H +ATOM 1833 HG2 PRO L 120 -13.314 -31.997 -16.214 1.00 24.03 H +ATOM 1834 HD2 PRO L 120 -12.850 -29.791 -16.345 1.00 21.77 H +ATOM 1835 HD3 PRO L 120 -14.067 -29.367 -15.028 1.00 21.77 H +ATOM 1836 N SER L 121 -10.801 -33.013 -12.681 1.00 19.50 N +ATOM 1837 CA SER L 121 -9.734 -34.013 -12.777 1.00 24.78 C +ATOM 1838 C SER L 121 -10.187 -35.213 -13.609 1.00 23.20 C +ATOM 1839 O SER L 121 -11.380 -35.525 -13.672 1.00 23.71 O +ATOM 1840 CB SER L 121 -9.279 -34.466 -11.381 1.00 23.89 C +ATOM 1841 OG SER L 121 -10.321 -35.112 -10.664 1.00 24.52 O +ATOM 1842 H SER L 121 -11.276 -32.890 -11.798 1.00 19.50 H +ATOM 1843 HA SER L 121 -8.883 -33.554 -13.279 1.00 24.78 H +ATOM 1844 HB3 SER L 121 -8.931 -33.602 -10.815 1.00 23.89 H +ATOM 1845 HB2 SER L 121 -8.431 -35.144 -11.478 1.00 23.89 H +ATOM 1846 HG SER L 121 -9.994 -35.390 -9.805 1.00 24.52 H +ATOM 1847 N ASP L 122 -9.232 -35.887 -14.247 1.00 25.67 N +ATOM 1848 CA ASP L 122 -9.527 -37.106 -14.994 1.00 29.93 C +ATOM 1849 C ASP L 122 -10.107 -38.176 -14.078 1.00 27.82 C +ATOM 1850 O ASP L 122 -11.006 -38.924 -14.485 1.00 27.69 O +ATOM 1851 CB ASP L 122 -8.273 -37.631 -15.703 1.00 34.63 C +ATOM 1852 CG ASP L 122 -7.873 -36.779 -16.902 1.00 39.54 C +ATOM 1853 OD1 ASP L 122 -8.756 -36.181 -17.564 1.00 38.17 O +ATOM 1854 OD2 ASP L 122 -6.661 -36.716 -17.185 1.00 43.02 O +ATOM 1855 H ASP L 122 -8.278 -35.557 -14.221 1.00 25.67 H +ATOM 1856 HA ASP L 122 -10.272 -36.868 -15.753 1.00 29.93 H +ATOM 1857 HB3 ASP L 122 -8.444 -38.657 -16.029 1.00 34.63 H +ATOM 1858 HB2 ASP L 122 -7.446 -37.670 -14.994 1.00 34.63 H +ATOM 1859 N GLU L 123 -9.601 -38.224 -12.842 1.00 25.62 N +ATOM 1860 CA GLU L 123 -10.099 -39.151 -11.824 1.00 32.08 C +ATOM 1861 C GLU L 123 -11.584 -38.933 -11.546 1.00 30.33 C +ATOM 1862 O GLU L 123 -12.359 -39.894 -11.496 1.00 33.08 O +ATOM 1863 CB GLU L 123 -9.295 -39.037 -10.522 1.00 33.45 C +ATOM 1864 CG GLU L 123 -9.739 -40.021 -9.434 1.00 39.73 C +ATOM 1865 CD GLU L 123 -9.043 -39.814 -8.089 1.00 43.64 C +ATOM 1866 OE1 GLU L 123 -8.323 -38.800 -7.905 1.00 47.31 O +ATOM 1867 OE2 GLU L 123 -9.232 -40.682 -7.206 1.00 49.02 O +ATOM 1868 H GLU L 123 -8.846 -37.606 -12.581 1.00 25.62 H +ATOM 1869 HA GLU L 123 -9.976 -40.165 -12.206 1.00 32.08 H +ATOM 1870 HB3 GLU L 123 -9.368 -38.019 -10.140 1.00 33.45 H +ATOM 1871 HB2 GLU L 123 -8.237 -39.188 -10.736 1.00 33.45 H +ATOM 1872 HG3 GLU L 123 -9.566 -41.041 -9.777 1.00 39.73 H +ATOM 1873 HG2 GLU L 123 -10.818 -39.947 -9.298 1.00 39.73 H +ATOM 1874 N GLN L 124 -11.984 -37.675 -11.354 1.00 28.97 N +ATOM 1875 CA GLN L 124 -13.401 -37.394 -11.156 1.00 25.35 C +ATOM 1876 C GLN L 124 -14.225 -37.737 -12.401 1.00 21.92 C +ATOM 1877 O GLN L 124 -15.270 -38.366 -12.300 1.00 23.61 O +ATOM 1878 CB GLN L 124 -13.655 -35.954 -10.720 1.00 20.40 C +ATOM 1879 CG GLN L 124 -15.108 -35.742 -10.334 1.00 22.14 C +ATOM 1880 CD GLN L 124 -15.455 -34.301 -10.061 1.00 23.47 C +ATOM 1881 OE1 GLN L 124 -14.772 -33.377 -10.526 1.00 21.61 O +ATOM 1882 NE2 GLN L 124 -16.518 -34.095 -9.279 1.00 23.53 N +ATOM 1883 H GLN L 124 -11.307 -36.925 -11.347 1.00 28.97 H +ATOM 1884 HA GLN L 124 -13.749 -38.041 -10.351 1.00 25.35 H +ATOM 1885 HB3 GLN L 124 -13.393 -35.277 -11.533 1.00 20.40 H +ATOM 1886 HB2 GLN L 124 -13.015 -35.714 -9.871 1.00 20.40 H +ATOM 1887 HG3 GLN L 124 -15.340 -36.343 -9.455 1.00 22.14 H +ATOM 1888 HG2 GLN L 124 -15.752 -36.125 -11.125 1.00 22.14 H +ATOM 1889 HE22 GLN L 124 -16.806 -33.153 -9.056 1.00 23.53 H +ATOM 1890 HE21 GLN L 124 -17.034 -34.881 -8.911 1.00 23.53 H +ATOM 1891 N LEU L 125 -13.740 -37.340 -13.568 1.00 23.37 N +ATOM 1892 CA LEU L 125 -14.422 -37.657 -14.817 1.00 29.14 C +ATOM 1893 C LEU L 125 -14.732 -39.157 -14.949 1.00 32.83 C +ATOM 1894 O LEU L 125 -15.832 -39.530 -15.370 1.00 29.75 O +ATOM 1895 CB LEU L 125 -13.612 -37.140 -16.010 1.00 31.06 C +ATOM 1896 CG LEU L 125 -13.651 -35.625 -16.227 1.00 29.98 C +ATOM 1897 CD1 LEU L 125 -12.693 -35.215 -17.341 1.00 31.53 C +ATOM 1898 CD2 LEU L 125 -15.073 -35.153 -16.542 1.00 28.85 C +ATOM 1899 H LEU L 125 -12.883 -36.807 -13.604 1.00 23.37 H +ATOM 1900 HA LEU L 125 -15.374 -37.126 -14.813 1.00 29.14 H +ATOM 1901 HB3 LEU L 125 -13.947 -37.642 -16.917 1.00 31.06 H +ATOM 1902 HB2 LEU L 125 -12.576 -37.463 -15.909 1.00 31.06 H +ATOM 1903 HG LEU L 125 -13.328 -35.141 -15.305 1.00 29.98 H +ATOM 1904 HD11 LEU L 125 -12.736 -34.135 -17.479 1.00 31.53 H +ATOM 1905 HD12 LEU L 125 -11.677 -35.506 -17.073 1.00 31.53 H +ATOM 1906 HD13 LEU L 125 -12.980 -35.711 -18.268 1.00 31.53 H +ATOM 1907 HD21 LEU L 125 -15.073 -34.073 -16.692 1.00 28.85 H +ATOM 1908 HD22 LEU L 125 -15.427 -35.645 -17.448 1.00 28.85 H +ATOM 1909 HD23 LEU L 125 -15.732 -35.404 -15.711 1.00 28.85 H +ATOM 1910 N LYS L 126 -13.771 -40.004 -14.571 1.00 36.78 N +ATOM 1911 CA LYS L 126 -13.972 -41.463 -14.540 1.00 41.03 C +ATOM 1912 C LYS L 126 -15.189 -41.878 -13.717 1.00 40.37 C +ATOM 1913 O LYS L 126 -15.885 -42.828 -14.072 1.00 41.78 O +ATOM 1914 CB LYS L 126 -12.734 -42.174 -13.994 1.00 45.02 C +ATOM 1915 CG LYS L 126 -11.699 -42.525 -15.043 1.00 52.30 C +ATOM 1916 CD LYS L 126 -10.572 -43.346 -14.439 1.00 56.86 C +ATOM 1917 CE LYS L 126 -9.535 -43.705 -15.490 1.00 59.42 C +ATOM 1918 NZ LYS L 126 -8.429 -44.527 -14.921 1.00 61.26 N +ATOM 1919 H LYS L 126 -12.867 -39.650 -14.293 1.00 36.78 H +ATOM 1920 HA LYS L 126 -14.129 -41.802 -15.564 1.00 41.03 H +ATOM 1921 HB3 LYS L 126 -13.039 -43.080 -13.471 1.00 45.02 H +ATOM 1922 HB2 LYS L 126 -12.273 -41.555 -13.224 1.00 45.02 H +ATOM 1923 HG3 LYS L 126 -11.292 -41.609 -15.472 1.00 52.30 H +ATOM 1924 HG2 LYS L 126 -12.172 -43.093 -15.844 1.00 52.30 H +ATOM 1925 HD3 LYS L 126 -10.980 -44.259 -14.005 1.00 56.86 H +ATOM 1926 HD2 LYS L 126 -10.097 -42.777 -13.640 1.00 56.86 H +ATOM 1927 HE3 LYS L 126 -9.124 -42.792 -15.920 1.00 59.42 H +ATOM 1928 HE2 LYS L 126 -10.015 -44.254 -16.300 1.00 59.42 H +ATOM 1929 HZ1 LYS L 126 -8.286 -44.276 -13.953 1.00 61.26 H +ATOM 1930 HZ2 LYS L 126 -8.670 -45.506 -14.982 1.00 61.26 H +ATOM 1931 HZ3 LYS L 126 -7.580 -44.357 -15.441 1.00 61.26 H +ATOM 1932 N SER L 127 -15.444 -41.156 -12.626 1.00 39.20 N +ATOM 1933 CA SER L 127 -16.535 -41.480 -11.708 1.00 38.47 C +ATOM 1934 C SER L 127 -17.918 -41.024 -12.186 1.00 35.99 C +ATOM 1935 O SER L 127 -18.916 -41.325 -11.535 1.00 32.18 O +ATOM 1936 CB SER L 127 -16.252 -40.916 -10.312 1.00 39.46 C +ATOM 1937 OG SER L 127 -16.386 -39.501 -10.286 1.00 37.88 O +ATOM 1938 H SER L 127 -14.874 -40.351 -12.408 1.00 39.20 H +ATOM 1939 HA SER L 127 -16.567 -42.566 -11.616 1.00 38.47 H +ATOM 1940 HB3 SER L 127 -15.242 -41.190 -10.008 1.00 39.46 H +ATOM 1941 HB2 SER L 127 -16.943 -41.359 -9.595 1.00 39.46 H +ATOM 1942 HG SER L 127 -15.954 -39.124 -11.056 1.00 37.88 H +ATOM 1943 N GLY L 128 -17.973 -40.297 -13.305 1.00 35.53 N +ATOM 1944 CA GLY L 128 -19.254 -39.892 -13.915 1.00 31.91 C +ATOM 1945 C GLY L 128 -19.668 -38.440 -13.693 1.00 30.05 C +ATOM 1946 O GLY L 128 -20.736 -38.006 -14.147 1.00 25.10 O +ATOM 1947 H GLY L 128 -17.120 -40.007 -13.761 1.00 35.53 H +ATOM 1948 HA3 GLY L 128 -20.046 -40.550 -13.559 1.00 31.91 H +ATOM 1949 HA2 GLY L 128 -19.224 -40.098 -14.985 1.00 31.91 H +ATOM 1950 N THR L 129 -18.815 -37.679 -13.012 1.00 27.34 N +ATOM 1951 CA THR L 129 -19.138 -36.304 -12.653 1.00 26.13 C +ATOM 1952 C THR L 129 -18.000 -35.369 -13.041 1.00 25.20 C +ATOM 1953 O THR L 129 -16.845 -35.787 -13.126 1.00 26.25 O +ATOM 1954 CB THR L 129 -19.457 -36.189 -11.142 1.00 28.76 C +ATOM 1955 OG1 THR L 129 -20.535 -37.076 -10.823 1.00 29.06 O +ATOM 1956 CG2 THR L 129 -19.878 -34.771 -10.768 1.00 29.82 C +ATOM 1957 H THR L 129 -17.919 -38.051 -12.731 1.00 27.34 H +ATOM 1958 HA THR L 129 -20.026 -36.007 -13.211 1.00 26.13 H +ATOM 1959 HB THR L 129 -18.576 -36.469 -10.564 1.00 28.76 H +ATOM 1960 HG1 THR L 129 -20.280 -37.978 -11.032 1.00 29.06 H +ATOM 1961 HG21 THR L 129 -20.095 -34.725 -9.701 1.00 29.82 H +ATOM 1962 HG22 THR L 129 -19.071 -34.078 -11.004 1.00 29.82 H +ATOM 1963 HG23 THR L 129 -20.770 -34.496 -11.331 1.00 29.82 H +ATOM 1964 N ALA L 130 -18.345 -34.107 -13.286 1.00 24.36 N +ATOM 1965 CA ALA L 130 -17.377 -33.079 -13.622 1.00 23.51 C +ATOM 1966 C ALA L 130 -17.625 -31.836 -12.777 1.00 25.26 C +ATOM 1967 O ALA L 130 -18.657 -31.170 -12.938 1.00 25.58 O +ATOM 1968 CB ALA L 130 -17.479 -32.736 -15.097 1.00 23.64 C +ATOM 1969 H ALA L 130 -19.316 -33.831 -13.242 1.00 24.36 H +ATOM 1970 HA ALA L 130 -16.375 -33.454 -13.414 1.00 23.51 H +ATOM 1971 HB1 ALA L 130 -16.750 -31.964 -15.342 1.00 23.64 H +ATOM 1972 HB2 ALA L 130 -17.278 -33.627 -15.692 1.00 23.64 H +ATOM 1973 HB3 ALA L 130 -18.482 -32.371 -15.317 1.00 23.64 H +ATOM 1974 N SER L 131 -16.691 -31.541 -11.872 1.00 23.07 N +ATOM 1975 CA SER L 131 -16.703 -30.290 -11.110 1.00 23.83 C +ATOM 1976 C SER L 131 -15.665 -29.323 -11.663 1.00 23.69 C +ATOM 1977 O SER L 131 -14.487 -29.675 -11.794 1.00 21.48 O +ATOM 1978 CB SER L 131 -16.465 -30.536 -9.615 1.00 26.91 C +ATOM 1979 OG SER L 131 -17.468 -31.381 -9.074 1.00 27.92 O +ATOM 1980 H SER L 131 -15.940 -32.191 -11.691 1.00 23.07 H +ATOM 1981 HA SER L 131 -17.686 -29.833 -11.225 1.00 23.83 H +ATOM 1982 HB3 SER L 131 -16.469 -29.583 -9.085 1.00 26.91 H +ATOM 1983 HB2 SER L 131 -15.487 -30.997 -9.474 1.00 26.91 H +ATOM 1984 HG SER L 131 -18.186 -30.846 -8.729 1.00 27.92 H +ATOM 1985 N VAL L 132 -16.120 -28.111 -11.996 1.00 20.98 N +ATOM 1986 CA VAL L 132 -15.250 -27.042 -12.462 1.00 20.53 C +ATOM 1987 C VAL L 132 -15.181 -25.974 -11.380 1.00 18.20 C +ATOM 1988 O VAL L 132 -16.233 -25.533 -10.891 1.00 23.62 O +ATOM 1989 CB VAL L 132 -15.763 -26.393 -13.764 1.00 18.67 C +ATOM 1990 CG1 VAL L 132 -14.673 -25.496 -14.367 1.00 20.23 C +ATOM 1991 CG2 VAL L 132 -16.172 -27.458 -14.788 1.00 20.81 C +ATOM 1992 H VAL L 132 -17.107 -27.906 -11.929 1.00 20.98 H +ATOM 1993 HA VAL L 132 -14.251 -27.443 -12.632 1.00 20.53 H +ATOM 1994 HB VAL L 132 -16.633 -25.779 -13.530 1.00 18.67 H +ATOM 1995 HG11 VAL L 132 -15.043 -25.041 -15.286 1.00 20.23 H +ATOM 1996 HG12 VAL L 132 -14.411 -24.713 -13.655 1.00 20.23 H +ATOM 1997 HG13 VAL L 132 -13.790 -26.095 -14.589 1.00 20.23 H +ATOM 1998 HG21 VAL L 132 -16.530 -26.972 -15.696 1.00 20.81 H +ATOM 1999 HG22 VAL L 132 -15.311 -28.083 -15.026 1.00 20.81 H +ATOM 2000 HG23 VAL L 132 -16.966 -28.077 -14.371 1.00 20.81 H +ATOM 2001 N VAL L 133 -13.962 -25.558 -11.016 1.00 17.57 N +ATOM 2002 CA VAL L 133 -13.766 -24.633 -9.901 1.00 18.91 C +ATOM 2003 C VAL L 133 -13.219 -23.295 -10.353 1.00 24.40 C +ATOM 2004 O VAL L 133 -12.226 -23.212 -11.089 1.00 24.90 O +ATOM 2005 CB VAL L 133 -12.885 -25.254 -8.768 1.00 19.28 C +ATOM 2006 CG1 VAL L 133 -12.615 -24.233 -7.619 1.00 19.68 C +ATOM 2007 CG2 VAL L 133 -13.556 -26.509 -8.217 1.00 22.30 C +ATOM 2008 H VAL L 133 -13.147 -25.884 -11.516 1.00 17.57 H +ATOM 2009 HA VAL L 133 -14.749 -24.444 -9.470 1.00 18.91 H +ATOM 2010 HB VAL L 133 -11.927 -25.542 -9.200 1.00 19.28 H +ATOM 2011 HG11 VAL L 133 -12.000 -24.703 -6.852 1.00 19.68 H +ATOM 2012 HG12 VAL L 133 -12.094 -23.364 -8.020 1.00 19.68 H +ATOM 2013 HG13 VAL L 133 -13.563 -23.918 -7.182 1.00 19.68 H +ATOM 2014 HG21 VAL L 133 -12.937 -26.936 -7.428 1.00 22.30 H +ATOM 2015 HG22 VAL L 133 -14.534 -26.250 -7.811 1.00 22.30 H +ATOM 2016 HG23 VAL L 133 -13.677 -27.238 -9.018 1.00 22.30 H +ATOM 2017 N CYS L 134 -13.879 -22.242 -9.904 1.00 19.87 N +ATOM 2018 CA CYS L 134 -13.383 -20.897 -10.105 1.00 21.53 C +ATOM 2019 C CYS L 134 -12.971 -20.316 -8.757 1.00 23.39 C +ATOM 2020 O CYS L 134 -13.755 -20.345 -7.799 1.00 22.96 O +ATOM 2021 CB CYS L 134 -14.476 -20.027 -10.720 1.00 21.67 C +ATOM 2022 SG CYS L 134 -13.827 -18.441 -11.194 1.00 27.54 S +ATOM 2023 H CYS L 134 -14.750 -22.366 -9.408 1.00 19.87 H +ATOM 2024 HA CYS L 134 -12.520 -20.922 -10.770 1.00 21.53 H +ATOM 2025 HB3 CYS L 134 -15.280 -19.889 -9.997 1.00 21.67 H +ATOM 2026 HB2 CYS L 134 -14.888 -20.527 -11.596 1.00 21.67 H +ATOM 2027 N LEU L 135 -11.742 -19.803 -8.691 1.00 21.50 N +ATOM 2028 CA LEU L 135 -11.166 -19.299 -7.455 1.00 20.64 C +ATOM 2029 C LEU L 135 -10.938 -17.790 -7.558 1.00 20.85 C +ATOM 2030 O LEU L 135 -10.338 -17.323 -8.525 1.00 21.49 O +ATOM 2031 CB LEU L 135 -9.834 -20.023 -7.139 1.00 22.73 C +ATOM 2032 CG LEU L 135 -9.011 -19.422 -5.994 1.00 19.06 C +ATOM 2033 CD1 LEU L 135 -9.791 -19.533 -4.664 1.00 20.73 C +ATOM 2034 CD2 LEU L 135 -7.660 -20.132 -5.862 1.00 23.30 C +ATOM 2035 H LEU L 135 -11.170 -19.753 -9.522 1.00 21.50 H +ATOM 2036 HA LEU L 135 -11.867 -19.490 -6.642 1.00 20.64 H +ATOM 2037 HB3 LEU L 135 -9.222 -20.061 -8.040 1.00 22.73 H +ATOM 2038 HB2 LEU L 135 -10.037 -21.072 -6.925 1.00 22.73 H +ATOM 2039 HG LEU L 135 -8.833 -18.368 -6.208 1.00 19.06 H +ATOM 2040 HD11 LEU L 135 -9.197 -19.103 -3.857 1.00 20.73 H +ATOM 2041 HD12 LEU L 135 -10.734 -18.992 -4.749 1.00 20.73 H +ATOM 2042 HD13 LEU L 135 -9.993 -20.582 -4.447 1.00 20.73 H +ATOM 2043 HD21 LEU L 135 -7.094 -19.688 -5.043 1.00 23.30 H +ATOM 2044 HD22 LEU L 135 -7.823 -21.190 -5.658 1.00 23.30 H +ATOM 2045 HD23 LEU L 135 -7.100 -20.024 -6.791 1.00 23.30 H +ATOM 2046 N LEU L 136 -11.429 -17.054 -6.562 1.00 18.62 N +ATOM 2047 CA LEU L 136 -11.199 -15.618 -6.439 1.00 22.33 C +ATOM 2048 C LEU L 136 -10.392 -15.380 -5.173 1.00 22.00 C +ATOM 2049 O LEU L 136 -10.895 -15.576 -4.057 1.00 21.44 O +ATOM 2050 CB LEU L 136 -12.520 -14.854 -6.333 1.00 21.14 C +ATOM 2051 CG LEU L 136 -13.388 -14.593 -7.560 1.00 22.12 C +ATOM 2052 CD1 LEU L 136 -13.897 -15.887 -8.137 1.00 20.72 C +ATOM 2053 CD2 LEU L 136 -14.551 -13.701 -7.098 1.00 22.27 C +ATOM 2054 H LEU L 136 -11.991 -17.487 -5.844 1.00 18.62 H +ATOM 2055 HA LEU L 136 -10.638 -15.262 -7.303 1.00 22.33 H +ATOM 2056 HB3 LEU L 136 -12.339 -13.908 -5.823 1.00 21.14 H +ATOM 2057 HB2 LEU L 136 -13.134 -15.318 -5.561 1.00 21.14 H +ATOM 2058 HG LEU L 136 -12.803 -14.065 -8.313 1.00 22.12 H +ATOM 2059 HD11 LEU L 136 -14.514 -15.678 -9.011 1.00 20.72 H +ATOM 2060 HD12 LEU L 136 -13.053 -16.512 -8.429 1.00 20.72 H +ATOM 2061 HD13 LEU L 136 -14.493 -16.409 -7.389 1.00 20.72 H +ATOM 2062 HD21 LEU L 136 -15.203 -13.486 -7.945 1.00 22.27 H +ATOM 2063 HD22 LEU L 136 -15.120 -14.216 -6.324 1.00 22.27 H +ATOM 2064 HD23 LEU L 136 -14.156 -12.767 -6.697 1.00 22.27 H +ATOM 2065 N ASN L 137 -9.155 -14.926 -5.340 1.00 20.68 N +ATOM 2066 CA ASN L 137 -8.214 -14.926 -4.231 1.00 22.76 C +ATOM 2067 C ASN L 137 -7.910 -13.542 -3.681 1.00 20.42 C +ATOM 2068 O ASN L 137 -7.583 -12.639 -4.439 1.00 22.97 O +ATOM 2069 CB ASN L 137 -6.916 -15.582 -4.693 1.00 24.99 C +ATOM 2070 CG ASN L 137 -6.506 -16.708 -3.810 1.00 37.48 C +ATOM 2071 OD1 ASN L 137 -7.283 -17.641 -3.567 1.00 41.43 O +ATOM 2072 ND2 ASN L 137 -5.281 -16.644 -3.312 1.00 42.77 N +ATOM 2073 H ASN L 137 -8.862 -14.578 -6.242 1.00 20.68 H +ATOM 2074 HA ASN L 137 -8.634 -15.529 -3.426 1.00 22.76 H +ATOM 2075 HB3 ASN L 137 -6.122 -14.835 -4.720 1.00 24.99 H +ATOM 2076 HB2 ASN L 137 -7.037 -15.947 -5.713 1.00 24.99 H +ATOM 2077 HD22 ASN L 137 -4.943 -17.378 -2.706 1.00 42.77 H +ATOM 2078 HD21 ASN L 137 -4.684 -15.861 -3.538 1.00 42.77 H +ATOM 2079 N ASN L 138 -8.012 -13.396 -2.359 1.00 20.99 N +ATOM 2080 CA ASN L 138 -7.578 -12.201 -1.627 1.00 20.06 C +ATOM 2081 C ASN L 138 -8.136 -10.878 -2.158 1.00 22.27 C +ATOM 2082 O ASN L 138 -7.385 -10.021 -2.613 1.00 20.80 O +ATOM 2083 CB ASN L 138 -6.050 -12.142 -1.525 1.00 23.83 C +ATOM 2084 CG ASN L 138 -5.487 -13.274 -0.668 1.00 28.50 C +ATOM 2085 OD1 ASN L 138 -5.490 -14.466 -1.215 1.00 36.68 O +ATOM 2086 ND2 ASN L 138 -5.081 -13.073 0.484 1.00 25.63 N +ATOM 2087 H ASN L 138 -8.409 -14.137 -1.798 1.00 20.99 H +ATOM 2088 HA ASN L 138 -7.952 -12.309 -0.609 1.00 20.06 H +ATOM 2089 HB3 ASN L 138 -5.752 -11.183 -1.101 1.00 23.83 H +ATOM 2090 HB2 ASN L 138 -5.618 -12.194 -2.524 1.00 23.83 H +ATOM 2091 HD22 ASN L 138 -4.713 -13.839 1.031 1.00 25.63 H +ATOM 2092 HD21 ASN L 138 -5.118 -12.143 0.877 1.00 25.63 H +ATOM 2093 N PHE L 139 -9.450 -10.719 -2.053 1.00 18.52 N +ATOM 2094 CA PHE L 139 -10.123 -9.489 -2.479 1.00 16.76 C +ATOM 2095 C PHE L 139 -10.852 -8.765 -1.341 1.00 18.95 C +ATOM 2096 O PHE L 139 -11.124 -9.335 -0.275 1.00 19.40 O +ATOM 2097 CB PHE L 139 -11.078 -9.778 -3.649 1.00 19.91 C +ATOM 2098 CG PHE L 139 -12.187 -10.761 -3.319 1.00 21.79 C +ATOM 2099 CD1 PHE L 139 -13.414 -10.304 -2.848 1.00 20.95 C +ATOM 2100 CD2 PHE L 139 -12.001 -12.137 -3.493 1.00 19.91 C +ATOM 2101 CE1 PHE L 139 -14.458 -11.212 -2.539 1.00 23.99 C +ATOM 2102 CE2 PHE L 139 -13.036 -13.062 -3.186 1.00 22.59 C +ATOM 2103 CZ PHE L 139 -14.271 -12.590 -2.719 1.00 23.68 C +ATOM 2104 H PHE L 139 -10.019 -11.460 -1.669 1.00 18.52 H +ATOM 2105 HA PHE L 139 -9.353 -8.813 -2.851 1.00 16.76 H +ATOM 2106 HB3 PHE L 139 -10.506 -10.151 -4.499 1.00 19.91 H +ATOM 2107 HB2 PHE L 139 -11.516 -8.843 -3.997 1.00 19.91 H +ATOM 2108 HD1 PHE L 139 -13.581 -9.245 -2.714 1.00 20.95 H +ATOM 2109 HD2 PHE L 139 -11.059 -12.512 -3.866 1.00 19.91 H +ATOM 2110 HE1 PHE L 139 -15.401 -10.843 -2.164 1.00 23.99 H +ATOM 2111 HE2 PHE L 139 -12.869 -14.121 -3.313 1.00 22.59 H +ATOM 2112 HZ PHE L 139 -15.074 -13.277 -2.498 1.00 23.68 H +ATOM 2113 N TYR L 140 -11.144 -7.486 -1.573 1.00 18.05 N +ATOM 2114 CA TYR L 140 -11.902 -6.667 -0.623 1.00 20.33 C +ATOM 2115 C TYR L 140 -12.634 -5.576 -1.414 1.00 19.33 C +ATOM 2116 O TYR L 140 -12.043 -4.971 -2.308 1.00 20.37 O +ATOM 2117 CB TYR L 140 -10.992 -6.039 0.458 1.00 19.38 C +ATOM 2118 CG TYR L 140 -11.843 -5.397 1.532 1.00 19.79 C +ATOM 2119 CD1 TYR L 140 -12.291 -4.082 1.397 1.00 22.21 C +ATOM 2120 CD2 TYR L 140 -12.277 -6.134 2.635 1.00 19.14 C +ATOM 2121 CE1 TYR L 140 -13.116 -3.497 2.351 1.00 21.57 C +ATOM 2122 CE2 TYR L 140 -13.096 -5.560 3.587 1.00 21.35 C +ATOM 2123 CZ TYR L 140 -13.510 -4.248 3.442 1.00 20.50 C +ATOM 2124 OH TYR L 140 -14.338 -3.677 4.373 1.00 22.01 O +ATOM 2125 H TYR L 140 -10.840 -7.046 -2.430 1.00 18.05 H +ATOM 2126 HA TYR L 140 -12.643 -7.298 -0.132 1.00 20.33 H +ATOM 2127 HB3 TYR L 140 -10.353 -5.283 0.001 1.00 19.38 H +ATOM 2128 HB2 TYR L 140 -10.369 -6.815 0.904 1.00 19.38 H +ATOM 2129 HD1 TYR L 140 -11.997 -3.497 0.538 1.00 22.21 H +ATOM 2130 HD2 TYR L 140 -11.972 -7.164 2.750 1.00 19.14 H +ATOM 2131 HE1 TYR L 140 -13.438 -2.473 2.232 1.00 21.57 H +ATOM 2132 HE2 TYR L 140 -13.413 -6.135 4.444 1.00 21.35 H +ATOM 2133 HH TYR L 140 -14.525 -4.312 5.068 1.00 22.01 H +ATOM 2134 N PRO L 141 -13.924 -5.319 -1.105 1.00 20.54 N +ATOM 2135 CA PRO L 141 -14.779 -5.961 -0.090 1.00 20.24 C +ATOM 2136 C PRO L 141 -15.342 -7.313 -0.520 1.00 23.05 C +ATOM 2137 O PRO L 141 -15.065 -7.786 -1.615 1.00 19.01 O +ATOM 2138 CB PRO L 141 -15.903 -4.939 0.109 1.00 21.52 C +ATOM 2139 CG PRO L 141 -16.023 -4.257 -1.231 1.00 21.01 C +ATOM 2140 CD PRO L 141 -14.633 -4.234 -1.821 1.00 20.92 C +ATOM 2141 HA PRO L 141 -14.221 -6.076 0.839 1.00 20.24 H +ATOM 2142 HB3 PRO L 141 -15.598 -4.209 0.859 1.00 21.52 H +ATOM 2143 HB2 PRO L 141 -16.832 -5.464 0.331 1.00 21.52 H +ATOM 2144 HG3 PRO L 141 -16.372 -3.235 -1.087 1.00 21.01 H +ATOM 2145 HG2 PRO L 141 -16.681 -4.839 -1.876 1.00 21.01 H +ATOM 2146 HD2 PRO L 141 -14.688 -4.478 -2.882 1.00 20.92 H +ATOM 2147 HD3 PRO L 141 -14.159 -3.280 -1.590 1.00 20.92 H +ATOM 2148 N ARG L 142 -16.144 -7.914 0.353 1.00 21.71 N +ATOM 2149 CA ARG L 142 -16.752 -9.220 0.112 1.00 27.95 C +ATOM 2150 C ARG L 142 -17.616 -9.293 -1.150 1.00 27.58 C +ATOM 2151 O ARG L 142 -17.756 -10.362 -1.745 1.00 28.88 O +ATOM 2152 CB ARG L 142 -17.610 -9.576 1.323 1.00 32.48 C +ATOM 2153 CG ARG L 142 -17.460 -10.974 1.812 1.00 39.46 C +ATOM 2154 CD ARG L 142 -18.263 -11.157 3.099 1.00 43.78 C +ATOM 2155 NE ARG L 142 -18.006 -10.089 4.070 1.00 45.79 N +ATOM 2156 CZ ARG L 142 -18.415 -10.110 5.336 1.00 49.66 C +ATOM 2157 NH1 ARG L 142 -18.127 -9.092 6.136 1.00 51.33 N +ATOM 2158 NH2 ARG L 142 -19.108 -11.147 5.806 1.00 49.57 N +ATOM 2159 H ARG L 142 -16.359 -7.467 1.233 1.00 21.71 H +ATOM 2160 HA ARG L 142 -15.955 -9.959 0.026 1.00 27.95 H +ATOM 2161 HB3 ARG L 142 -18.658 -9.386 1.091 1.00 32.48 H +ATOM 2162 HB2 ARG L 142 -17.391 -8.884 2.136 1.00 32.48 H +ATOM 2163 HG3 ARG L 142 -16.408 -11.179 2.008 1.00 39.46 H +ATOM 2164 HG2 ARG L 142 -17.827 -11.665 1.054 1.00 39.46 H +ATOM 2165 HD3 ARG L 142 -18.017 -12.120 3.546 1.00 43.78 H +ATOM 2166 HD2 ARG L 142 -19.327 -11.183 2.862 1.00 43.78 H +ATOM 2167 HE ARG L 142 -17.481 -9.299 3.722 1.00 45.79 H +ATOM 2168 HH12 ARG L 142 -18.435 -9.103 7.098 1.00 51.33 H +ATOM 2169 HH11 ARG L 142 -17.600 -8.306 5.783 1.00 51.33 H +ATOM 2170 HH22 ARG L 142 -19.415 -11.155 6.768 1.00 49.57 H +ATOM 2171 HH21 ARG L 142 -19.326 -11.925 5.200 1.00 49.57 H +ATOM 2172 N GLU L 143 -18.218 -8.167 -1.532 1.00 27.65 N +ATOM 2173 CA GLU L 143 -19.112 -8.086 -2.693 1.00 29.84 C +ATOM 2174 C GLU L 143 -18.392 -8.474 -3.996 1.00 31.26 C +ATOM 2175 O GLU L 143 -17.473 -7.789 -4.415 1.00 25.48 O +ATOM 2176 CB GLU L 143 -19.685 -6.668 -2.826 1.00 34.18 C +ATOM 2177 CG GLU L 143 -20.866 -6.361 -1.914 1.00 38.45 C +ATOM 2178 CD GLU L 143 -20.491 -6.002 -0.475 1.00 43.04 C +ATOM 2179 OE1 GLU L 143 -19.286 -5.922 -0.118 1.00 35.29 O +ATOM 2180 OE2 GLU L 143 -21.441 -5.781 0.311 1.00 45.43 O +ATOM 2181 H GLU L 143 -18.068 -7.313 -1.014 1.00 27.65 H +ATOM 2182 HA GLU L 143 -19.940 -8.778 -2.538 1.00 29.84 H +ATOM 2183 HB3 GLU L 143 -19.974 -6.492 -3.862 1.00 34.18 H +ATOM 2184 HB2 GLU L 143 -18.893 -5.941 -2.647 1.00 34.18 H +ATOM 2185 HG3 GLU L 143 -21.547 -7.212 -1.908 1.00 38.45 H +ATOM 2186 HG2 GLU L 143 -21.454 -5.552 -2.346 1.00 38.45 H +ATOM 2187 N ALA L 144 -18.830 -9.577 -4.611 1.00 29.75 N +ATOM 2188 CA ALA L 144 -18.241 -10.117 -5.848 1.00 29.75 C +ATOM 2189 C ALA L 144 -19.313 -10.927 -6.577 1.00 32.84 C +ATOM 2190 O ALA L 144 -20.083 -11.644 -5.937 1.00 31.43 O +ATOM 2191 CB ALA L 144 -17.058 -11.014 -5.523 1.00 26.71 C +ATOM 2192 H ALA L 144 -19.610 -10.093 -4.229 1.00 29.75 H +ATOM 2193 HA ALA L 144 -17.911 -9.295 -6.483 1.00 29.75 H +ATOM 2194 HB1 ALA L 144 -16.633 -11.405 -6.447 1.00 26.71 H +ATOM 2195 HB2 ALA L 144 -16.300 -10.439 -4.991 1.00 26.71 H +ATOM 2196 HB3 ALA L 144 -17.390 -11.842 -4.897 1.00 26.71 H +ATOM 2197 N LYS L 145 -19.369 -10.797 -7.901 1.00 29.95 N +ATOM 2198 CA LYS L 145 -20.261 -11.618 -8.719 1.00 28.70 C +ATOM 2199 C LYS L 145 -19.453 -12.624 -9.555 1.00 28.13 C +ATOM 2200 O LYS L 145 -18.514 -12.247 -10.248 1.00 23.97 O +ATOM 2201 CB LYS L 145 -21.114 -10.733 -9.614 1.00 33.87 C +ATOM 2202 CG LYS L 145 -22.143 -11.481 -10.459 1.00 39.79 C +ATOM 2203 CD LYS L 145 -23.102 -10.519 -11.143 1.00 43.91 C +ATOM 2204 CE LYS L 145 -22.434 -9.751 -12.289 1.00 46.04 C +ATOM 2205 NZ LYS L 145 -23.327 -8.680 -12.836 1.00 47.06 N +ATOM 2206 H LYS L 145 -18.785 -10.117 -8.367 1.00 29.95 H +ATOM 2207 HA LYS L 145 -20.922 -12.175 -8.055 1.00 28.70 H +ATOM 2208 HB3 LYS L 145 -20.466 -10.150 -10.268 1.00 33.87 H +ATOM 2209 HB2 LYS L 145 -21.622 -9.986 -9.004 1.00 33.87 H +ATOM 2210 HG3 LYS L 145 -22.706 -12.164 -9.824 1.00 39.79 H +ATOM 2211 HG2 LYS L 145 -21.629 -12.078 -11.212 1.00 39.79 H +ATOM 2212 HD3 LYS L 145 -23.490 -9.811 -10.410 1.00 43.91 H +ATOM 2213 HD2 LYS L 145 -23.958 -11.073 -11.528 1.00 43.91 H +ATOM 2214 HE3 LYS L 145 -22.171 -10.446 -13.086 1.00 46.04 H +ATOM 2215 HE2 LYS L 145 -21.506 -9.303 -11.933 1.00 46.04 H +ATOM 2216 HZ1 LYS L 145 -22.764 -7.935 -13.220 1.00 47.06 H +ATOM 2217 HZ2 LYS L 145 -23.913 -9.068 -13.562 1.00 47.06 H +ATOM 2218 HZ3 LYS L 145 -23.908 -8.314 -12.095 1.00 47.06 H +ATOM 2219 N VAL L 146 -19.810 -13.902 -9.442 1.00 24.60 N +ATOM 2220 CA VAL L 146 -19.290 -14.952 -10.308 1.00 23.84 C +ATOM 2221 C VAL L 146 -20.424 -15.393 -11.251 1.00 24.72 C +ATOM 2222 O VAL L 146 -21.548 -15.636 -10.806 1.00 29.13 O +ATOM 2223 CB VAL L 146 -18.763 -16.154 -9.492 1.00 24.87 C +ATOM 2224 CG1 VAL L 146 -18.403 -17.343 -10.404 1.00 29.59 C +ATOM 2225 CG2 VAL L 146 -17.565 -15.743 -8.649 1.00 27.16 C +ATOM 2226 H VAL L 146 -20.470 -14.181 -8.731 1.00 24.60 H +ATOM 2227 HA VAL L 146 -18.473 -14.545 -10.904 1.00 23.84 H +ATOM 2228 HB VAL L 146 -19.556 -16.476 -8.816 1.00 24.87 H +ATOM 2229 HG11 VAL L 146 -18.036 -18.170 -9.796 1.00 29.59 H +ATOM 2230 HG12 VAL L 146 -19.289 -17.662 -10.953 1.00 29.59 H +ATOM 2231 HG13 VAL L 146 -17.629 -17.040 -11.109 1.00 29.59 H +ATOM 2232 HG21 VAL L 146 -17.208 -16.602 -8.081 1.00 27.16 H +ATOM 2233 HG22 VAL L 146 -16.769 -15.382 -9.300 1.00 27.16 H +ATOM 2234 HG23 VAL L 146 -17.859 -14.950 -7.961 1.00 27.16 H +ATOM 2235 N GLN L 147 -20.124 -15.445 -12.543 1.00 23.07 N +ATOM 2236 CA GLN L 147 -21.050 -15.956 -13.550 1.00 27.70 C +ATOM 2237 C GLN L 147 -20.368 -17.036 -14.387 1.00 25.22 C +ATOM 2238 O GLN L 147 -19.313 -16.804 -14.986 1.00 20.87 O +ATOM 2239 CB GLN L 147 -21.566 -14.827 -14.450 1.00 30.12 C +ATOM 2240 CG GLN L 147 -22.728 -14.032 -13.824 1.00 37.20 C +ATOM 2241 CD GLN L 147 -23.366 -13.033 -14.774 1.00 38.54 C +ATOM 2242 OE1 GLN L 147 -24.675 -12.867 -14.653 1.00 44.15 O +ATOM 2243 NE2 GLN L 147 -22.690 -12.404 -15.594 1.00 42.23 N +ATOM 2244 H GLN L 147 -19.223 -15.123 -12.866 1.00 23.07 H +ATOM 2245 HA GLN L 147 -21.902 -16.404 -13.038 1.00 27.70 H +ATOM 2246 HB3 GLN L 147 -21.886 -15.243 -15.405 1.00 30.12 H +ATOM 2247 HB2 GLN L 147 -20.747 -14.147 -14.683 1.00 30.12 H +ATOM 2248 HG3 GLN L 147 -22.372 -13.510 -12.936 1.00 37.20 H +ATOM 2249 HG2 GLN L 147 -23.488 -14.725 -13.464 1.00 37.20 H +ATOM 2250 HE22 GLN L 147 -23.135 -11.745 -16.216 1.00 42.23 H +ATOM 2251 HE21 GLN L 147 -21.692 -12.549 -15.643 1.00 42.23 H +ATOM 2252 N TRP L 148 -20.969 -18.220 -14.410 1.00 20.50 N +ATOM 2253 CA TRP L 148 -20.449 -19.316 -15.211 1.00 18.86 C +ATOM 2254 C TRP L 148 -21.065 -19.239 -16.600 1.00 19.30 C +ATOM 2255 O TRP L 148 -22.272 -19.005 -16.750 1.00 20.67 O +ATOM 2256 CB TRP L 148 -20.779 -20.667 -14.574 1.00 18.31 C +ATOM 2257 CG TRP L 148 -19.944 -21.017 -13.402 1.00 19.97 C +ATOM 2258 CD1 TRP L 148 -20.283 -20.904 -12.079 1.00 20.47 C +ATOM 2259 CD2 TRP L 148 -18.628 -21.569 -13.433 1.00 21.89 C +ATOM 2260 NE1 TRP L 148 -19.252 -21.352 -11.285 1.00 21.11 N +ATOM 2261 CE2 TRP L 148 -18.223 -21.764 -12.090 1.00 20.76 C +ATOM 2262 CE3 TRP L 148 -17.742 -21.914 -14.469 1.00 22.13 C +ATOM 2263 CZ2 TRP L 148 -16.977 -22.279 -11.754 1.00 19.42 C +ATOM 2264 CZ3 TRP L 148 -16.499 -22.437 -14.129 1.00 18.70 C +ATOM 2265 CH2 TRP L 148 -16.130 -22.612 -12.789 1.00 18.62 C +ATOM 2266 H TRP L 148 -21.805 -18.373 -13.864 1.00 20.50 H +ATOM 2267 HA TRP L 148 -19.367 -19.215 -15.294 1.00 18.86 H +ATOM 2268 HB3 TRP L 148 -20.692 -21.451 -15.326 1.00 18.31 H +ATOM 2269 HB2 TRP L 148 -21.830 -20.683 -14.286 1.00 18.31 H +ATOM 2270 HD1 TRP L 148 -21.248 -20.507 -11.801 1.00 20.47 H +ATOM 2271 HE1 TRP L 148 -19.345 -21.335 -10.279 1.00 21.11 H +ATOM 2272 HE3 TRP L 148 -18.034 -21.771 -15.499 1.00 22.13 H +ATOM 2273 HZ2 TRP L 148 -16.706 -22.404 -10.716 1.00 19.42 H +ATOM 2274 HZ3 TRP L 148 -15.800 -22.716 -14.904 1.00 18.70 H +ATOM 2275 HH2 TRP L 148 -15.153 -23.020 -12.577 1.00 18.62 H +ATOM 2276 N LYS L 149 -20.220 -19.414 -17.612 1.00 21.48 N +ATOM 2277 CA LYS L 149 -20.665 -19.526 -18.998 1.00 24.83 C +ATOM 2278 C LYS L 149 -20.107 -20.808 -19.605 1.00 23.13 C +ATOM 2279 O LYS L 149 -18.941 -21.179 -19.383 1.00 22.16 O +ATOM 2280 CB LYS L 149 -20.245 -18.309 -19.825 1.00 25.85 C +ATOM 2281 CG LYS L 149 -20.683 -16.967 -19.248 1.00 31.01 C +ATOM 2282 CD LYS L 149 -20.294 -15.813 -20.146 1.00 31.83 C +ATOM 2283 CE LYS L 149 -20.495 -14.488 -19.426 1.00 38.62 C +ATOM 2284 NZ LYS L 149 -20.669 -13.365 -20.390 1.00 40.94 N +ATOM 2285 H LYS L 149 -19.227 -19.474 -17.436 1.00 21.48 H +ATOM 2286 HA LYS L 149 -21.753 -19.588 -19.006 1.00 24.83 H +ATOM 2287 HB3 LYS L 149 -20.633 -18.410 -20.839 1.00 25.85 H +ATOM 2288 HB2 LYS L 149 -19.162 -18.313 -19.948 1.00 25.85 H +ATOM 2289 HG3 LYS L 149 -20.231 -16.830 -18.265 1.00 31.01 H +ATOM 2290 HG2 LYS L 149 -21.764 -16.968 -19.107 1.00 31.01 H +ATOM 2291 HD3 LYS L 149 -20.906 -15.833 -21.048 1.00 31.83 H +ATOM 2292 HD2 LYS L 149 -19.248 -15.914 -20.435 1.00 31.83 H +ATOM 2293 HE3 LYS L 149 -19.635 -14.288 -18.787 1.00 38.62 H +ATOM 2294 HE2 LYS L 149 -21.373 -14.554 -18.783 1.00 38.62 H +ATOM 2295 HZ1 LYS L 149 -21.478 -13.540 -20.969 1.00 40.94 H +ATOM 2296 HZ2 LYS L 149 -20.800 -12.502 -19.882 1.00 40.94 H +ATOM 2297 HZ3 LYS L 149 -19.848 -13.291 -20.973 1.00 40.94 H +ATOM 2298 N VAL L 150 -20.958 -21.503 -20.338 1.00 20.51 N +ATOM 2299 CA VAL L 150 -20.573 -22.735 -21.041 1.00 20.23 C +ATOM 2300 C VAL L 150 -20.993 -22.559 -22.499 1.00 20.92 C +ATOM 2301 O VAL L 150 -22.186 -22.408 -22.795 1.00 20.35 O +ATOM 2302 CB VAL L 150 -21.237 -23.999 -20.413 1.00 20.64 C +ATOM 2303 CG1 VAL L 150 -20.876 -25.249 -21.201 1.00 19.46 C +ATOM 2304 CG2 VAL L 150 -20.827 -24.168 -18.953 1.00 21.61 C +ATOM 2305 H VAL L 150 -21.915 -21.193 -20.432 1.00 20.51 H +ATOM 2306 HA VAL L 150 -19.489 -22.845 -20.995 1.00 20.23 H +ATOM 2307 HB VAL L 150 -22.319 -23.871 -20.451 1.00 20.64 H +ATOM 2308 HG11 VAL L 150 -21.351 -26.117 -20.744 1.00 19.46 H +ATOM 2309 HG12 VAL L 150 -21.224 -25.144 -22.229 1.00 19.46 H +ATOM 2310 HG13 VAL L 150 -19.794 -25.382 -21.196 1.00 19.46 H +ATOM 2311 HG21 VAL L 150 -21.305 -25.057 -18.541 1.00 21.61 H +ATOM 2312 HG22 VAL L 150 -19.744 -24.276 -18.889 1.00 21.61 H +ATOM 2313 HG23 VAL L 150 -21.139 -23.292 -18.384 1.00 21.61 H +ATOM 2314 N ASP L 151 -20.010 -22.561 -23.402 1.00 17.04 N +ATOM 2315 CA ASP L 151 -20.220 -22.166 -24.803 1.00 15.13 C +ATOM 2316 C ASP L 151 -21.007 -20.853 -24.897 1.00 17.57 C +ATOM 2317 O ASP L 151 -21.944 -20.718 -25.701 1.00 18.74 O +ATOM 2318 CB ASP L 151 -20.882 -23.294 -25.610 1.00 20.42 C +ATOM 2319 CG ASP L 151 -19.944 -24.473 -25.850 1.00 21.84 C +ATOM 2320 OD1 ASP L 151 -18.712 -24.258 -25.912 1.00 23.79 O +ATOM 2321 OD2 ASP L 151 -20.443 -25.609 -25.994 1.00 25.25 O +ATOM 2322 H ASP L 151 -19.078 -22.841 -23.133 1.00 17.04 H +ATOM 2323 HA ASP L 151 -19.238 -21.987 -25.240 1.00 15.13 H +ATOM 2324 HB3 ASP L 151 -21.223 -22.902 -26.568 1.00 20.42 H +ATOM 2325 HB2 ASP L 151 -21.772 -23.640 -25.085 1.00 20.42 H +ATOM 2326 N ASN L 152 -20.603 -19.907 -24.045 1.00 20.34 N +ATOM 2327 CA ASN L 152 -21.161 -18.556 -23.935 1.00 22.32 C +ATOM 2328 C ASN L 152 -22.569 -18.460 -23.328 1.00 22.43 C +ATOM 2329 O ASN L 152 -23.115 -17.363 -23.210 1.00 25.07 O +ATOM 2330 CB ASN L 152 -21.054 -17.785 -25.264 1.00 23.67 C +ATOM 2331 CG ASN L 152 -21.165 -16.283 -25.078 1.00 24.52 C +ATOM 2332 OD1 ASN L 152 -20.489 -15.693 -24.230 1.00 31.29 O +ATOM 2333 ND2 ASN L 152 -22.024 -15.658 -25.861 1.00 24.19 N +ATOM 2334 H ASN L 152 -19.848 -20.096 -23.401 1.00 20.34 H +ATOM 2335 HA ASN L 152 -20.508 -18.028 -23.240 1.00 22.32 H +ATOM 2336 HB3 ASN L 152 -21.835 -18.125 -25.944 1.00 23.67 H +ATOM 2337 HB2 ASN L 152 -20.105 -18.021 -25.745 1.00 23.67 H +ATOM 2338 HD22 ASN L 152 -22.142 -14.658 -25.784 1.00 24.19 H +ATOM 2339 HD21 ASN L 152 -22.563 -16.180 -26.537 1.00 24.19 H +ATOM 2340 N ALA L 153 -23.137 -19.593 -22.921 1.00 20.40 N +ATOM 2341 CA ALA L 153 -24.480 -19.598 -22.334 1.00 20.40 C +ATOM 2342 C ALA L 153 -24.402 -19.428 -20.833 1.00 20.53 C +ATOM 2343 O ALA L 153 -23.649 -20.128 -20.150 1.00 16.70 O +ATOM 2344 CB ALA L 153 -25.247 -20.862 -22.705 1.00 19.92 C +ATOM 2345 H ALA L 153 -22.642 -20.468 -23.014 1.00 20.40 H +ATOM 2346 HA ALA L 153 -25.025 -18.745 -22.739 1.00 20.40 H +ATOM 2347 HB1 ALA L 153 -26.238 -20.832 -22.253 1.00 19.92 H +ATOM 2348 HB2 ALA L 153 -25.344 -20.924 -23.789 1.00 19.92 H +ATOM 2349 HB3 ALA L 153 -24.708 -21.736 -22.339 1.00 19.92 H +ATOM 2350 N LEU L 154 -25.164 -18.473 -20.311 1.00 19.62 N +ATOM 2351 CA LEU L 154 -25.116 -18.205 -18.881 1.00 28.15 C +ATOM 2352 C LEU L 154 -25.753 -19.369 -18.137 1.00 24.40 C +ATOM 2353 O LEU L 154 -26.844 -19.820 -18.485 1.00 20.19 O +ATOM 2354 CB LEU L 154 -25.810 -16.875 -18.547 1.00 32.78 C +ATOM 2355 CG LEU L 154 -24.977 -15.579 -18.618 1.00 39.53 C +ATOM 2356 CD1 LEU L 154 -24.484 -15.242 -20.037 1.00 42.80 C +ATOM 2357 CD2 LEU L 154 -25.759 -14.399 -18.036 1.00 38.46 C +ATOM 2358 H LEU L 154 -25.776 -17.933 -20.906 1.00 19.62 H +ATOM 2359 HA LEU L 154 -24.071 -18.134 -18.579 1.00 28.15 H +ATOM 2360 HB3 LEU L 154 -26.270 -16.950 -17.562 1.00 32.78 H +ATOM 2361 HB2 LEU L 154 -26.694 -16.766 -19.176 1.00 32.78 H +ATOM 2362 HG LEU L 154 -24.096 -15.724 -17.994 1.00 39.53 H +ATOM 2363 HD11 LEU L 154 -23.905 -14.319 -20.011 1.00 42.80 H +ATOM 2364 HD12 LEU L 154 -23.857 -16.053 -20.406 1.00 42.80 H +ATOM 2365 HD13 LEU L 154 -25.340 -15.115 -20.699 1.00 42.80 H +ATOM 2366 HD21 LEU L 154 -25.152 -13.495 -18.096 1.00 38.46 H +ATOM 2367 HD22 LEU L 154 -26.679 -14.257 -18.603 1.00 38.46 H +ATOM 2368 HD23 LEU L 154 -26.003 -14.603 -16.994 1.00 38.46 H +ATOM 2369 N GLN L 155 -25.049 -19.862 -17.128 1.00 23.04 N +ATOM 2370 CA GLN L 155 -25.503 -20.983 -16.321 1.00 24.83 C +ATOM 2371 C GLN L 155 -26.330 -20.498 -15.133 1.00 28.61 C +ATOM 2372 O GLN L 155 -26.029 -19.462 -14.534 1.00 25.00 O +ATOM 2373 CB GLN L 155 -24.293 -21.782 -15.818 1.00 24.61 C +ATOM 2374 CG GLN L 155 -23.411 -22.334 -16.936 1.00 23.50 C +ATOM 2375 CD GLN L 155 -24.191 -23.224 -17.889 1.00 23.66 C +ATOM 2376 OE1 GLN L 155 -24.613 -24.386 -17.397 1.00 25.24 O +ATOM 2377 NE2 GLN L 155 -24.441 -22.859 -19.045 1.00 18.74 N +ATOM 2378 H GLN L 155 -24.155 -19.457 -16.891 1.00 23.04 H +ATOM 2379 HA GLN L 155 -26.122 -21.633 -16.939 1.00 24.83 H +ATOM 2380 HB3 GLN L 155 -24.638 -22.604 -15.190 1.00 24.61 H +ATOM 2381 HB2 GLN L 155 -23.692 -21.153 -15.161 1.00 24.61 H +ATOM 2382 HG3 GLN L 155 -22.588 -22.901 -16.502 1.00 23.50 H +ATOM 2383 HG2 GLN L 155 -22.970 -21.507 -17.492 1.00 23.50 H +ATOM 2384 HE22 GLN L 155 -24.961 -23.464 -19.664 1.00 18.74 H +ATOM 2385 HE21 GLN L 155 -24.125 -21.956 -19.369 1.00 18.74 H +ATOM 2386 N SER L 156 -27.379 -21.247 -14.808 1.00 27.65 N +ATOM 2387 CA SER L 156 -28.105 -21.049 -13.554 1.00 29.46 C +ATOM 2388 C SER L 156 -28.453 -22.412 -12.953 1.00 28.25 C +ATOM 2389 O SER L 156 -28.859 -23.333 -13.678 1.00 31.54 O +ATOM 2390 CB SER L 156 -29.370 -20.209 -13.786 1.00 28.73 C +ATOM 2391 OG SER L 156 -30.294 -20.895 -14.617 1.00 30.86 O +ATOM 2392 H SER L 156 -27.693 -21.975 -15.434 1.00 27.65 H +ATOM 2393 HA SER L 156 -27.457 -20.517 -12.857 1.00 29.46 H +ATOM 2394 HB3 SER L 156 -29.097 -19.262 -14.252 1.00 28.73 H +ATOM 2395 HB2 SER L 156 -29.839 -19.987 -12.827 1.00 28.73 H +ATOM 2396 HG SER L 156 -30.547 -21.722 -14.200 1.00 30.86 H +ATOM 2397 N GLY L 157 -28.283 -22.538 -11.642 1.00 25.54 N +ATOM 2398 CA GLY L 157 -28.793 -23.687 -10.901 1.00 27.25 C +ATOM 2399 C GLY L 157 -27.871 -24.883 -10.741 1.00 30.02 C +ATOM 2400 O GLY L 157 -28.274 -25.903 -10.179 1.00 33.64 O +ATOM 2401 H GLY L 157 -27.787 -21.825 -11.126 1.00 25.54 H +ATOM 2402 HA3 GLY L 157 -29.730 -24.015 -11.350 1.00 27.25 H +ATOM 2403 HA2 GLY L 157 -29.127 -23.358 -9.917 1.00 27.25 H +ATOM 2404 N ASN L 158 -26.643 -24.762 -11.230 1.00 20.95 N +ATOM 2405 CA ASN L 158 -25.678 -25.869 -11.201 1.00 21.34 C +ATOM 2406 C ASN L 158 -24.339 -25.501 -10.570 1.00 21.83 C +ATOM 2407 O ASN L 158 -23.323 -26.178 -10.801 1.00 21.60 O +ATOM 2408 CB ASN L 158 -25.457 -26.454 -12.610 1.00 24.38 C +ATOM 2409 CG ASN L 158 -25.262 -25.381 -13.684 1.00 26.09 C +ATOM 2410 OD1 ASN L 158 -24.982 -24.146 -13.267 1.00 32.43 O +ATOM 2411 ND2 ASN L 158 -25.393 -25.668 -14.886 1.00 21.43 N +ATOM 2412 H ASN L 158 -26.346 -23.887 -11.639 1.00 20.95 H +ATOM 2413 HA ASN L 158 -26.114 -26.659 -10.590 1.00 21.34 H +ATOM 2414 HB3 ASN L 158 -26.305 -27.084 -12.878 1.00 24.38 H +ATOM 2415 HB2 ASN L 158 -24.590 -27.114 -12.596 1.00 24.38 H +ATOM 2416 HD22 ASN L 158 -25.264 -24.957 -15.592 1.00 21.43 H +ATOM 2417 HD21 ASN L 158 -25.629 -26.612 -15.157 1.00 21.43 H +ATOM 2418 N SER L 159 -24.349 -24.450 -9.749 1.00 20.37 N +ATOM 2419 CA SER L 159 -23.154 -24.011 -9.043 1.00 18.67 C +ATOM 2420 C SER L 159 -23.420 -23.722 -7.568 1.00 22.70 C +ATOM 2421 O SER L 159 -24.568 -23.450 -7.166 1.00 21.09 O +ATOM 2422 CB SER L 159 -22.510 -22.787 -9.720 1.00 22.20 C +ATOM 2423 OG SER L 159 -23.357 -21.639 -9.728 1.00 23.38 O +ATOM 2424 H SER L 159 -25.204 -23.932 -9.602 1.00 20.37 H +ATOM 2425 HA SER L 159 -22.431 -24.826 -9.089 1.00 18.67 H +ATOM 2426 HB3 SER L 159 -22.236 -23.042 -10.744 1.00 22.20 H +ATOM 2427 HB2 SER L 159 -21.575 -22.544 -9.214 1.00 22.20 H +ATOM 2428 HG SER L 159 -23.570 -21.392 -8.825 1.00 23.38 H +ATOM 2429 N GLN L 160 -22.359 -23.829 -6.770 1.00 19.70 N +ATOM 2430 CA GLN L 160 -22.385 -23.414 -5.369 1.00 21.25 C +ATOM 2431 C GLN L 160 -21.135 -22.632 -5.043 1.00 20.33 C +ATOM 2432 O GLN L 160 -20.060 -22.903 -5.582 1.00 20.69 O +ATOM 2433 CB GLN L 160 -22.463 -24.609 -4.423 1.00 21.61 C +ATOM 2434 CG GLN L 160 -23.656 -25.491 -4.657 1.00 23.45 C +ATOM 2435 CD GLN L 160 -23.851 -26.482 -3.551 1.00 28.47 C +ATOM 2436 OE1 GLN L 160 -23.473 -27.648 -3.683 1.00 34.89 O +ATOM 2437 NE2 GLN L 160 -24.460 -26.039 -2.451 1.00 28.31 N +ATOM 2438 H GLN L 160 -21.494 -24.209 -7.128 1.00 19.70 H +ATOM 2439 HA GLN L 160 -23.254 -22.776 -5.205 1.00 21.25 H +ATOM 2440 HB3 GLN L 160 -22.472 -24.254 -3.392 1.00 21.61 H +ATOM 2441 HB2 GLN L 160 -21.552 -25.201 -4.513 1.00 21.61 H +ATOM 2442 HG3 GLN L 160 -23.535 -26.021 -5.602 1.00 23.45 H +ATOM 2443 HG2 GLN L 160 -24.550 -24.874 -4.753 1.00 23.45 H +ATOM 2444 HE22 GLN L 160 -24.617 -26.665 -1.674 1.00 28.31 H +ATOM 2445 HE21 GLN L 160 -24.764 -25.077 -2.395 1.00 28.31 H +ATOM 2446 N GLU L 161 -21.272 -21.704 -4.112 1.00 17.92 N +ATOM 2447 CA GLU L 161 -20.208 -20.744 -3.803 1.00 20.89 C +ATOM 2448 C GLU L 161 -19.951 -20.764 -2.302 1.00 22.91 C +ATOM 2449 O GLU L 161 -20.872 -21.019 -1.522 1.00 21.52 O +ATOM 2450 CB GLU L 161 -20.774 -19.379 -4.158 1.00 27.07 C +ATOM 2451 CG GLU L 161 -19.820 -18.360 -4.539 1.00 35.78 C +ATOM 2452 CD GLU L 161 -20.541 -17.126 -5.012 1.00 31.62 C +ATOM 2453 OE1 GLU L 161 -21.016 -16.334 -4.164 1.00 34.15 O +ATOM 2454 OE2 GLU L 161 -20.631 -16.965 -6.233 1.00 28.27 O +ATOM 2455 H GLU L 161 -22.132 -21.639 -3.586 1.00 17.92 H +ATOM 2456 HA GLU L 161 -19.300 -20.959 -4.367 1.00 20.89 H +ATOM 2457 HB3 GLU L 161 -21.377 -19.013 -3.327 1.00 27.07 H +ATOM 2458 HB2 GLU L 161 -21.514 -19.492 -4.951 1.00 27.07 H +ATOM 2459 HG3 GLU L 161 -19.185 -18.739 -5.340 1.00 35.78 H +ATOM 2460 HG2 GLU L 161 -19.195 -18.109 -3.682 1.00 35.78 H +ATOM 2461 N SER L 162 -18.726 -20.445 -1.897 1.00 20.17 N +ATOM 2462 CA SER L 162 -18.418 -20.268 -0.497 1.00 23.00 C +ATOM 2463 C SER L 162 -17.356 -19.169 -0.331 1.00 20.46 C +ATOM 2464 O SER L 162 -16.406 -19.100 -1.122 1.00 20.61 O +ATOM 2465 CB SER L 162 -17.918 -21.620 0.017 1.00 29.17 C +ATOM 2466 OG SER L 162 -17.249 -21.527 1.215 1.00 27.43 O +ATOM 2467 H SER L 162 -17.987 -20.321 -2.574 1.00 20.17 H +ATOM 2468 HA SER L 162 -19.322 -19.985 0.042 1.00 23.00 H +ATOM 2469 HB3 SER L 162 -17.264 -22.071 -0.729 1.00 29.17 H +ATOM 2470 HB2 SER L 162 -18.762 -22.301 0.126 1.00 29.17 H +ATOM 2471 HG SER L 162 -17.176 -22.399 1.610 1.00 27.43 H +ATOM 2472 N VAL L 163 -17.528 -18.314 0.679 1.00 20.35 N +ATOM 2473 CA VAL L 163 -16.557 -17.252 0.997 1.00 20.28 C +ATOM 2474 C VAL L 163 -15.820 -17.567 2.306 1.00 23.52 C +ATOM 2475 O VAL L 163 -16.402 -18.108 3.232 1.00 20.38 O +ATOM 2476 CB VAL L 163 -17.194 -15.817 1.039 1.00 22.95 C +ATOM 2477 CG1 VAL L 163 -18.176 -15.662 2.213 1.00 23.63 C +ATOM 2478 CG2 VAL L 163 -16.093 -14.729 1.082 1.00 20.85 C +ATOM 2479 H VAL L 163 -18.350 -18.380 1.262 1.00 20.35 H +ATOM 2480 HA VAL L 163 -15.812 -17.249 0.201 1.00 20.28 H +ATOM 2481 HB VAL L 163 -17.758 -15.679 0.117 1.00 22.95 H +ATOM 2482 HG11 VAL L 163 -18.595 -14.656 2.207 1.00 23.63 H +ATOM 2483 HG12 VAL L 163 -18.981 -16.390 2.113 1.00 23.63 H +ATOM 2484 HG13 VAL L 163 -17.649 -15.830 3.152 1.00 23.63 H +ATOM 2485 HG21 VAL L 163 -16.557 -13.743 1.111 1.00 20.85 H +ATOM 2486 HG22 VAL L 163 -15.479 -14.867 1.972 1.00 20.85 H +ATOM 2487 HG23 VAL L 163 -15.467 -14.810 0.193 1.00 20.85 H +ATOM 2488 N THR L 164 -14.535 -17.239 2.374 1.00 23.39 N +ATOM 2489 CA THR L 164 -13.765 -17.488 3.598 1.00 21.80 C +ATOM 2490 C THR L 164 -14.118 -16.443 4.658 1.00 22.10 C +ATOM 2491 O THR L 164 -14.697 -15.397 4.361 1.00 22.81 O +ATOM 2492 CB THR L 164 -12.245 -17.374 3.368 1.00 23.06 C +ATOM 2493 OG1 THR L 164 -11.947 -16.054 2.926 1.00 20.17 O +ATOM 2494 CG2 THR L 164 -11.747 -18.359 2.317 1.00 19.37 C +ATOM 2495 H THR L 164 -14.079 -16.814 1.579 1.00 23.39 H +ATOM 2496 HA THR L 164 -14.000 -18.482 3.978 1.00 21.80 H +ATOM 2497 HB THR L 164 -11.726 -17.562 4.308 1.00 23.06 H +ATOM 2498 HG1 THR L 164 -11.851 -15.476 3.686 1.00 20.17 H +ATOM 2499 HG21 THR L 164 -10.671 -18.242 2.189 1.00 19.37 H +ATOM 2500 HG22 THR L 164 -11.965 -19.377 2.640 1.00 19.37 H +ATOM 2501 HG23 THR L 164 -12.248 -18.164 1.369 1.00 19.37 H +ATOM 2502 N GLU L 165 -13.737 -16.731 5.894 1.00 20.46 N +ATOM 2503 CA GLU L 165 -13.644 -15.718 6.913 1.00 23.81 C +ATOM 2504 C GLU L 165 -12.612 -14.696 6.445 1.00 22.43 C +ATOM 2505 O GLU L 165 -11.806 -14.959 5.529 1.00 21.78 O +ATOM 2506 CB GLU L 165 -13.222 -16.324 8.264 1.00 23.22 C +ATOM 2507 CG GLU L 165 -11.781 -16.868 8.316 1.00 31.42 C +ATOM 2508 CD GLU L 165 -11.611 -18.310 7.798 1.00 41.29 C +ATOM 2509 OE1 GLU L 165 -12.466 -18.836 7.018 1.00 34.54 O +ATOM 2510 OE2 GLU L 165 -10.584 -18.917 8.194 1.00 44.09 O +ATOM 2511 H GLU L 165 -13.503 -17.682 6.142 1.00 20.46 H +ATOM 2512 HA GLU L 165 -14.612 -15.228 7.024 1.00 23.81 H +ATOM 2513 HB3 GLU L 165 -13.917 -17.118 8.536 1.00 23.22 H +ATOM 2514 HB2 GLU L 165 -13.355 -15.581 9.050 1.00 23.22 H +ATOM 2515 HG3 GLU L 165 -11.409 -16.806 9.339 1.00 31.42 H +ATOM 2516 HG2 GLU L 165 -11.124 -16.203 7.755 1.00 31.42 H +ATOM 2517 N GLN L 166 -12.624 -13.533 7.076 1.00 23.74 N +ATOM 2518 CA GLN L 166 -11.639 -12.502 6.752 1.00 22.40 C +ATOM 2519 C GLN L 166 -10.228 -12.937 7.160 1.00 22.58 C +ATOM 2520 O GLN L 166 -10.037 -13.588 8.200 1.00 21.39 O +ATOM 2521 CB GLN L 166 -12.040 -11.199 7.435 1.00 23.12 C +ATOM 2522 CG GLN L 166 -11.217 -10.001 7.038 1.00 23.97 C +ATOM 2523 CD GLN L 166 -11.857 -8.698 7.480 1.00 24.20 C +ATOM 2524 OE1 GLN L 166 -12.501 -8.627 8.536 1.00 24.02 O +ATOM 2525 NE2 GLN L 166 -11.681 -7.660 6.681 1.00 20.16 N +ATOM 2526 H GLN L 166 -13.317 -13.352 7.788 1.00 23.74 H +ATOM 2527 HA GLN L 166 -11.651 -12.342 5.674 1.00 22.40 H +ATOM 2528 HB3 GLN L 166 -11.991 -11.328 8.516 1.00 23.12 H +ATOM 2529 HB2 GLN L 166 -13.092 -10.996 7.236 1.00 23.12 H +ATOM 2530 HG3 GLN L 166 -11.088 -9.993 5.956 1.00 23.97 H +ATOM 2531 HG2 GLN L 166 -10.222 -10.083 7.476 1.00 23.97 H +ATOM 2532 HE22 GLN L 166 -12.082 -6.765 6.920 1.00 20.16 H +ATOM 2533 HE21 GLN L 166 -11.145 -7.762 5.831 1.00 20.16 H +ATOM 2534 N ASP L 167 -9.236 -12.544 6.360 1.00 21.95 N +ATOM 2535 CA ASP L 167 -7.850 -12.884 6.633 1.00 21.93 C +ATOM 2536 C ASP L 167 -7.308 -12.024 7.778 1.00 24.68 C +ATOM 2537 O ASP L 167 -7.524 -10.814 7.790 1.00 23.44 O +ATOM 2538 CB ASP L 167 -7.007 -12.695 5.374 1.00 22.15 C +ATOM 2539 CG ASP L 167 -5.620 -13.304 5.502 1.00 27.42 C +ATOM 2540 OD1 ASP L 167 -5.465 -14.497 5.172 1.00 27.94 O +ATOM 2541 OD2 ASP L 167 -4.687 -12.583 5.898 1.00 27.64 O +ATOM 2542 H ASP L 167 -9.438 -11.994 5.537 1.00 21.95 H +ATOM 2543 HA ASP L 167 -7.801 -13.931 6.931 1.00 21.93 H +ATOM 2544 HB3 ASP L 167 -6.917 -11.631 5.155 1.00 22.15 H +ATOM 2545 HB2 ASP L 167 -7.522 -13.141 4.523 1.00 22.15 H +ATOM 2546 N SER L 168 -6.613 -12.652 8.738 1.00 21.20 N +ATOM 2547 CA SER L 168 -6.080 -11.937 9.911 1.00 18.67 C +ATOM 2548 C SER L 168 -4.843 -11.098 9.603 1.00 25.11 C +ATOM 2549 O SER L 168 -4.422 -10.293 10.432 1.00 24.33 O +ATOM 2550 CB SER L 168 -5.771 -12.920 11.064 1.00 26.53 C +ATOM 2551 OG SER L 168 -6.940 -13.561 11.554 1.00 31.32 O +ATOM 2552 H SER L 168 -6.441 -13.645 8.670 1.00 21.20 H +ATOM 2553 HA SER L 168 -6.857 -11.257 10.260 1.00 18.67 H +ATOM 2554 HB3 SER L 168 -5.284 -12.383 11.878 1.00 26.53 H +ATOM 2555 HB2 SER L 168 -5.063 -13.673 10.718 1.00 26.53 H +ATOM 2556 HG SER L 168 -6.703 -14.160 12.266 1.00 31.32 H +ATOM 2557 N LYS L 169 -4.241 -11.280 8.425 1.00 25.18 N +ATOM 2558 CA LYS L 169 -3.045 -10.511 8.080 1.00 24.41 C +ATOM 2559 C LYS L 169 -3.298 -9.376 7.079 1.00 23.32 C +ATOM 2560 O LYS L 169 -2.752 -8.288 7.244 1.00 24.45 O +ATOM 2561 CB LYS L 169 -1.927 -11.419 7.555 1.00 28.54 C +ATOM 2562 CG LYS L 169 -1.406 -12.438 8.548 1.00 33.02 C +ATOM 2563 CD LYS L 169 -0.498 -13.428 7.816 1.00 42.26 C +ATOM 2564 CE LYS L 169 -0.122 -14.612 8.682 1.00 46.91 C +ATOM 2565 NZ LYS L 169 1.061 -14.301 9.511 1.00 47.85 N +ATOM 2566 H LYS L 169 -4.611 -11.951 7.767 1.00 25.18 H +ATOM 2567 HA LYS L 169 -2.681 -10.053 9.000 1.00 24.41 H +ATOM 2568 HB3 LYS L 169 -1.099 -10.804 7.202 1.00 28.54 H +ATOM 2569 HB2 LYS L 169 -2.272 -11.933 6.658 1.00 28.54 H +ATOM 2570 HG3 LYS L 169 -2.245 -12.974 8.992 1.00 33.02 H +ATOM 2571 HG2 LYS L 169 -0.836 -11.929 9.325 1.00 33.02 H +ATOM 2572 HD3 LYS L 169 0.407 -12.916 7.489 1.00 42.26 H +ATOM 2573 HD2 LYS L 169 -1.000 -13.782 6.916 1.00 42.26 H +ATOM 2574 HE3 LYS L 169 0.095 -15.471 8.048 1.00 46.91 H +ATOM 2575 HE2 LYS L 169 -0.961 -14.870 9.329 1.00 46.91 H +ATOM 2576 HZ1 LYS L 169 0.871 -13.488 10.079 1.00 47.85 H +ATOM 2577 HZ2 LYS L 169 1.269 -15.087 10.110 1.00 47.85 H +ATOM 2578 HZ3 LYS L 169 1.853 -14.115 8.912 1.00 47.85 H +ATOM 2579 N ASP L 170 -4.092 -9.625 6.038 1.00 22.79 N +ATOM 2580 CA ASP L 170 -4.333 -8.587 5.020 1.00 24.14 C +ATOM 2581 C ASP L 170 -5.798 -8.159 4.917 1.00 22.77 C +ATOM 2582 O ASP L 170 -6.145 -7.343 4.066 1.00 18.12 O +ATOM 2583 CB ASP L 170 -3.770 -8.988 3.643 1.00 26.40 C +ATOM 2584 CG ASP L 170 -4.547 -10.125 2.985 1.00 27.94 C +ATOM 2585 OD1 ASP L 170 -5.642 -10.487 3.465 1.00 23.23 O +ATOM 2586 OD2 ASP L 170 -4.055 -10.670 1.964 1.00 30.02 O +ATOM 2587 H ASP L 170 -4.532 -10.529 5.944 1.00 22.79 H +ATOM 2588 HA ASP L 170 -3.775 -7.706 5.338 1.00 24.14 H +ATOM 2589 HB3 ASP L 170 -2.725 -9.278 3.750 1.00 26.40 H +ATOM 2590 HB2 ASP L 170 -3.772 -8.120 2.984 1.00 26.40 H +ATOM 2591 N SER L 171 -6.646 -8.742 5.768 1.00 18.83 N +ATOM 2592 CA SER L 171 -8.060 -8.343 5.890 1.00 18.83 C +ATOM 2593 C SER L 171 -8.872 -8.552 4.591 1.00 20.75 C +ATOM 2594 O SER L 171 -9.918 -7.913 4.399 1.00 22.37 O +ATOM 2595 CB SER L 171 -8.208 -6.885 6.392 1.00 22.16 C +ATOM 2596 OG SER L 171 -7.317 -6.573 7.471 1.00 21.84 O +ATOM 2597 H SER L 171 -6.327 -9.492 6.365 1.00 18.83 H +ATOM 2598 HA SER L 171 -8.506 -8.986 6.649 1.00 18.83 H +ATOM 2599 HB3 SER L 171 -9.236 -6.714 6.711 1.00 22.16 H +ATOM 2600 HB2 SER L 171 -8.030 -6.197 5.565 1.00 22.16 H +ATOM 2601 HG SER L 171 -6.409 -6.691 7.182 1.00 21.84 H +ATOM 2602 N THR L 172 -8.409 -9.458 3.728 1.00 20.72 N +ATOM 2603 CA THR L 172 -9.164 -9.804 2.509 1.00 19.83 C +ATOM 2604 C THR L 172 -10.044 -11.035 2.691 1.00 21.66 C +ATOM 2605 O THR L 172 -9.992 -11.722 3.722 1.00 20.81 O +ATOM 2606 CB THR L 172 -8.234 -10.062 1.316 1.00 18.40 C +ATOM 2607 OG1 THR L 172 -7.407 -11.208 1.591 1.00 22.51 O +ATOM 2608 CG2 THR L 172 -7.350 -8.799 0.999 1.00 19.54 C +ATOM 2609 H THR L 172 -7.528 -9.919 3.904 1.00 20.72 H +ATOM 2610 HA THR L 172 -9.809 -8.961 2.260 1.00 19.83 H +ATOM 2611 HB THR L 172 -8.847 -10.281 0.442 1.00 18.40 H +ATOM 2612 HG1 THR L 172 -6.759 -10.982 2.263 1.00 22.51 H +ATOM 2613 HG21 THR L 172 -6.702 -9.013 0.149 1.00 19.54 H +ATOM 2614 HG22 THR L 172 -7.995 -7.954 0.760 1.00 19.54 H +ATOM 2615 HG23 THR L 172 -6.740 -8.555 1.868 1.00 19.54 H +ATOM 2616 N TYR L 173 -10.825 -11.322 1.655 1.00 20.50 N +ATOM 2617 CA TYR L 173 -11.627 -12.540 1.575 1.00 20.46 C +ATOM 2618 C TYR L 173 -11.219 -13.310 0.329 1.00 21.90 C +ATOM 2619 O TYR L 173 -10.672 -12.735 -0.614 1.00 19.98 O +ATOM 2620 CB TYR L 173 -13.110 -12.174 1.471 1.00 23.62 C +ATOM 2621 CG TYR L 173 -13.607 -11.383 2.654 1.00 25.63 C +ATOM 2622 CD1 TYR L 173 -13.481 -9.992 2.700 1.00 28.59 C +ATOM 2623 CD2 TYR L 173 -14.169 -12.034 3.755 1.00 24.72 C +ATOM 2624 CE1 TYR L 173 -13.922 -9.262 3.820 1.00 26.56 C +ATOM 2625 CE2 TYR L 173 -14.613 -11.325 4.870 1.00 25.97 C +ATOM 2626 CZ TYR L 173 -14.490 -9.943 4.894 1.00 26.66 C +ATOM 2627 OH TYR L 173 -14.927 -9.245 5.992 1.00 25.97 O +ATOM 2628 H TYR L 173 -10.883 -10.684 0.874 1.00 20.50 H +ATOM 2629 HA TYR L 173 -11.458 -13.153 2.460 1.00 20.46 H +ATOM 2630 HB3 TYR L 173 -13.701 -13.084 1.370 1.00 23.62 H +ATOM 2631 HB2 TYR L 173 -13.279 -11.604 0.557 1.00 23.62 H +ATOM 2632 HD1 TYR L 173 -13.040 -9.462 1.869 1.00 28.59 H +ATOM 2633 HD2 TYR L 173 -14.267 -13.110 3.754 1.00 24.72 H +ATOM 2634 HE1 TYR L 173 -13.818 -8.187 3.839 1.00 26.56 H +ATOM 2635 HE2 TYR L 173 -15.049 -11.851 5.706 1.00 25.97 H +ATOM 2636 HH TYR L 173 -14.587 -8.348 5.957 1.00 25.97 H +ATOM 2637 N SER L 174 -11.496 -14.606 0.327 1.00 21.37 N +ATOM 2638 CA SER L 174 -11.388 -15.398 -0.889 1.00 19.24 C +ATOM 2639 C SER L 174 -12.698 -16.142 -1.116 1.00 20.36 C +ATOM 2640 O SER L 174 -13.493 -16.329 -0.177 1.00 20.31 O +ATOM 2641 CB SER L 174 -10.164 -16.336 -0.824 1.00 19.91 C +ATOM 2642 OG SER L 174 -8.950 -15.583 -0.715 1.00 19.56 O +ATOM 2643 H SER L 174 -11.788 -15.061 1.180 1.00 21.37 H +ATOM 2644 HA SER L 174 -11.242 -14.713 -1.724 1.00 19.24 H +ATOM 2645 HB3 SER L 174 -10.130 -16.951 -1.723 1.00 19.91 H +ATOM 2646 HB2 SER L 174 -10.259 -16.998 0.037 1.00 19.91 H +ATOM 2647 HG SER L 174 -8.365 -16.008 -0.084 1.00 19.56 H +ATOM 2648 N LEU L 175 -12.929 -16.564 -2.352 1.00 20.06 N +ATOM 2649 CA LEU L 175 -14.201 -17.193 -2.709 1.00 21.62 C +ATOM 2650 C LEU L 175 -13.955 -18.291 -3.717 1.00 23.00 C +ATOM 2651 O LEU L 175 -13.153 -18.131 -4.636 1.00 22.41 O +ATOM 2652 CB LEU L 175 -15.145 -16.145 -3.303 1.00 20.19 C +ATOM 2653 CG LEU L 175 -16.549 -16.592 -3.739 1.00 23.21 C +ATOM 2654 CD1 LEU L 175 -17.538 -15.431 -3.578 1.00 27.18 C +ATOM 2655 CD2 LEU L 175 -16.583 -17.122 -5.173 1.00 24.61 C +ATOM 2656 H LEU L 175 -12.221 -16.453 -3.064 1.00 20.06 H +ATOM 2657 HA LEU L 175 -14.655 -17.620 -1.815 1.00 21.62 H +ATOM 2658 HB3 LEU L 175 -14.651 -15.654 -4.141 1.00 20.19 H +ATOM 2659 HB2 LEU L 175 -15.236 -15.312 -2.606 1.00 20.19 H +ATOM 2660 HG LEU L 175 -16.866 -17.397 -3.076 1.00 23.21 H +ATOM 2661 HD11 LEU L 175 -18.532 -15.754 -3.889 1.00 27.18 H +ATOM 2662 HD12 LEU L 175 -17.567 -15.120 -2.534 1.00 27.18 H +ATOM 2663 HD13 LEU L 175 -17.219 -14.593 -4.197 1.00 27.18 H +ATOM 2664 HD21 LEU L 175 -17.600 -17.423 -5.426 1.00 24.61 H +ATOM 2665 HD22 LEU L 175 -16.255 -16.340 -5.858 1.00 24.61 H +ATOM 2666 HD23 LEU L 175 -15.918 -17.982 -5.259 1.00 24.61 H +ATOM 2667 N SER L 176 -14.661 -19.406 -3.536 1.00 21.41 N +ATOM 2668 CA SER L 176 -14.582 -20.535 -4.445 1.00 24.80 C +ATOM 2669 C SER L 176 -15.983 -20.760 -5.005 1.00 27.61 C +ATOM 2670 O SER L 176 -16.967 -20.690 -4.263 1.00 27.64 O +ATOM 2671 CB SER L 176 -14.082 -21.754 -3.661 1.00 27.48 C +ATOM 2672 OG SER L 176 -14.029 -22.950 -4.423 1.00 36.47 O +ATOM 2673 H SER L 176 -15.280 -19.488 -2.742 1.00 21.41 H +ATOM 2674 HA SER L 176 -13.891 -20.309 -5.257 1.00 24.80 H +ATOM 2675 HB3 SER L 176 -14.718 -21.909 -2.789 1.00 27.48 H +ATOM 2676 HB2 SER L 176 -13.094 -21.541 -3.254 1.00 27.48 H +ATOM 2677 HG SER L 176 -14.907 -23.163 -4.747 1.00 36.47 H +ATOM 2678 N SER L 177 -16.085 -20.963 -6.318 1.00 22.69 N +ATOM 2679 CA SER L 177 -17.342 -21.355 -6.935 1.00 23.35 C +ATOM 2680 C SER L 177 -17.133 -22.644 -7.726 1.00 22.47 C +ATOM 2681 O SER L 177 -16.172 -22.781 -8.493 1.00 25.08 O +ATOM 2682 CB SER L 177 -17.891 -20.242 -7.833 1.00 26.27 C +ATOM 2683 OG SER L 177 -19.075 -20.660 -8.496 1.00 23.43 O +ATOM 2684 H SER L 177 -15.276 -20.845 -6.912 1.00 22.69 H +ATOM 2685 HA SER L 177 -18.067 -21.549 -6.145 1.00 23.35 H +ATOM 2686 HB3 SER L 177 -17.139 -19.968 -8.572 1.00 26.27 H +ATOM 2687 HB2 SER L 177 -18.105 -19.361 -7.229 1.00 26.27 H +ATOM 2688 HG SER L 177 -19.743 -20.888 -7.845 1.00 23.43 H +ATOM 2689 N THR L 178 -18.029 -23.594 -7.522 1.00 20.85 N +ATOM 2690 CA THR L 178 -17.926 -24.878 -8.188 1.00 21.10 C +ATOM 2691 C THR L 178 -19.134 -25.088 -9.063 1.00 22.33 C +ATOM 2692 O THR L 178 -20.263 -25.018 -8.588 1.00 21.91 O +ATOM 2693 CB THR L 178 -17.831 -26.039 -7.171 1.00 21.18 C +ATOM 2694 OG1 THR L 178 -16.691 -25.829 -6.324 1.00 26.90 O +ATOM 2695 CG2 THR L 178 -17.721 -27.393 -7.902 1.00 21.72 C +ATOM 2696 H THR L 178 -18.802 -23.432 -6.893 1.00 20.85 H +ATOM 2697 HA THR L 178 -17.033 -24.881 -8.812 1.00 21.10 H +ATOM 2698 HB THR L 178 -18.731 -26.043 -6.556 1.00 21.18 H +ATOM 2699 HG1 THR L 178 -16.789 -24.997 -5.856 1.00 26.90 H +ATOM 2700 HG21 THR L 178 -17.655 -28.198 -7.170 1.00 21.72 H +ATOM 2701 HG22 THR L 178 -18.602 -27.542 -8.526 1.00 21.72 H +ATOM 2702 HG23 THR L 178 -16.828 -27.397 -8.527 1.00 21.72 H +ATOM 2703 N LEU L 179 -18.882 -25.317 -10.346 1.00 18.39 N +ATOM 2704 CA LEU L 179 -19.920 -25.704 -11.302 1.00 20.34 C +ATOM 2705 C LEU L 179 -19.922 -27.230 -11.392 1.00 21.67 C +ATOM 2706 O LEU L 179 -18.902 -27.834 -11.719 1.00 21.94 O +ATOM 2707 CB LEU L 179 -19.631 -25.081 -12.676 1.00 18.48 C +ATOM 2708 CG LEU L 179 -20.581 -25.352 -13.867 1.00 20.28 C +ATOM 2709 CD1 LEU L 179 -21.865 -24.525 -13.694 1.00 19.49 C +ATOM 2710 CD2 LEU L 179 -19.952 -25.021 -15.195 1.00 21.78 C +ATOM 2711 H LEU L 179 -17.940 -25.226 -10.700 1.00 18.39 H +ATOM 2712 HA LEU L 179 -20.890 -25.360 -10.944 1.00 20.34 H +ATOM 2713 HB3 LEU L 179 -18.613 -25.333 -12.971 1.00 18.48 H +ATOM 2714 HB2 LEU L 179 -19.510 -24.004 -12.558 1.00 18.48 H +ATOM 2715 HG LEU L 179 -20.847 -26.409 -13.864 1.00 20.28 H +ATOM 2716 HD11 LEU L 179 -22.536 -24.715 -14.532 1.00 19.49 H +ATOM 2717 HD12 LEU L 179 -22.358 -24.808 -12.764 1.00 19.49 H +ATOM 2718 HD13 LEU L 179 -21.614 -23.465 -13.663 1.00 19.49 H +ATOM 2719 HD21 LEU L 179 -20.661 -25.230 -15.996 1.00 21.78 H +ATOM 2720 HD22 LEU L 179 -19.681 -23.965 -15.216 1.00 21.78 H +ATOM 2721 HD23 LEU L 179 -19.058 -25.628 -15.335 1.00 21.78 H +ATOM 2722 N THR L 180 -21.058 -27.861 -11.113 1.00 23.51 N +ATOM 2723 CA THR L 180 -21.107 -29.324 -11.184 1.00 24.60 C +ATOM 2724 C THR L 180 -22.038 -29.860 -12.261 1.00 24.86 C +ATOM 2725 O THR L 180 -23.237 -29.552 -12.286 1.00 23.07 O +ATOM 2726 CB THR L 180 -21.404 -29.963 -9.817 1.00 28.46 C +ATOM 2727 OG1 THR L 180 -20.434 -29.501 -8.875 1.00 29.07 O +ATOM 2728 CG2 THR L 180 -21.309 -31.497 -9.903 1.00 29.89 C +ATOM 2729 H THR L 180 -21.879 -27.332 -10.854 1.00 23.51 H +ATOM 2730 HA THR L 180 -20.104 -29.649 -11.460 1.00 24.60 H +ATOM 2731 HB THR L 180 -22.402 -29.675 -9.487 1.00 28.46 H +ATOM 2732 HG1 THR L 180 -20.485 -28.545 -8.806 1.00 29.07 H +ATOM 2733 HG21 THR L 180 -21.522 -31.930 -8.926 1.00 29.89 H +ATOM 2734 HG22 THR L 180 -22.033 -31.866 -10.629 1.00 29.89 H +ATOM 2735 HG23 THR L 180 -20.304 -31.782 -10.215 1.00 29.89 H +ATOM 2736 N LEU L 181 -21.461 -30.660 -13.152 1.00 20.54 N +ATOM 2737 CA LEU L 181 -22.188 -31.264 -14.264 1.00 24.47 C +ATOM 2738 C LEU L 181 -21.964 -32.771 -14.269 1.00 24.83 C +ATOM 2739 O LEU L 181 -20.948 -33.260 -13.760 1.00 23.96 O +ATOM 2740 CB LEU L 181 -21.705 -30.683 -15.600 1.00 26.52 C +ATOM 2741 CG LEU L 181 -21.719 -29.167 -15.818 1.00 32.15 C +ATOM 2742 CD1 LEU L 181 -21.167 -28.846 -17.205 1.00 35.07 C +ATOM 2743 CD2 LEU L 181 -23.116 -28.585 -15.655 1.00 33.43 C +ATOM 2744 H LEU L 181 -20.477 -30.874 -13.076 1.00 20.54 H +ATOM 2745 HA LEU L 181 -23.253 -31.060 -14.149 1.00 24.47 H +ATOM 2746 HB3 LEU L 181 -22.250 -31.163 -16.413 1.00 26.52 H +ATOM 2747 HB2 LEU L 181 -20.705 -31.062 -15.811 1.00 26.52 H +ATOM 2748 HG LEU L 181 -21.067 -28.708 -15.075 1.00 32.15 H +ATOM 2749 HD11 LEU L 181 -21.177 -27.767 -17.360 1.00 35.07 H +ATOM 2750 HD12 LEU L 181 -20.144 -29.214 -17.284 1.00 35.07 H +ATOM 2751 HD13 LEU L 181 -21.785 -29.327 -17.963 1.00 35.07 H +ATOM 2752 HD21 LEU L 181 -23.083 -27.508 -15.818 1.00 33.43 H +ATOM 2753 HD22 LEU L 181 -23.787 -29.041 -16.383 1.00 33.43 H +ATOM 2754 HD23 LEU L 181 -23.480 -28.789 -14.648 1.00 33.43 H +ATOM 2755 N SER L 182 -22.902 -33.514 -14.851 1.00 24.87 N +ATOM 2756 CA SER L 182 -22.645 -34.910 -15.152 1.00 24.55 C +ATOM 2757 C SER L 182 -21.566 -34.946 -16.235 1.00 24.68 C +ATOM 2758 O SER L 182 -21.472 -34.018 -17.047 1.00 23.80 O +ATOM 2759 CB SER L 182 -23.916 -35.599 -15.652 1.00 27.45 C +ATOM 2760 OG SER L 182 -24.300 -35.099 -16.922 1.00 26.71 O +ATOM 2761 H SER L 182 -23.796 -33.107 -15.085 1.00 24.87 H +ATOM 2762 HA SER L 182 -22.282 -35.416 -14.257 1.00 24.55 H +ATOM 2763 HB3 SER L 182 -24.723 -35.434 -14.938 1.00 27.45 H +ATOM 2764 HB2 SER L 182 -23.743 -36.673 -15.722 1.00 27.45 H +ATOM 2765 HG SER L 182 -24.724 -34.244 -16.815 1.00 26.71 H +ATOM 2766 N LYS L 183 -20.766 -36.013 -16.250 1.00 28.03 N +ATOM 2767 CA LYS L 183 -19.770 -36.246 -17.308 1.00 28.78 C +ATOM 2768 C LYS L 183 -20.384 -36.084 -18.695 1.00 28.26 C +ATOM 2769 O LYS L 183 -19.763 -35.489 -19.587 1.00 28.56 O +ATOM 2770 CB LYS L 183 -19.133 -37.642 -17.157 1.00 28.89 C +ATOM 2771 CG LYS L 183 -18.011 -37.948 -18.143 1.00 33.93 C +ATOM 2772 CD LYS L 183 -17.591 -39.406 -18.044 1.00 35.53 C +ATOM 2773 CE LYS L 183 -16.458 -39.722 -19.000 1.00 43.94 C +ATOM 2774 NZ LYS L 183 -16.012 -41.134 -18.881 1.00 47.99 N +ATOM 2775 H LYS L 183 -20.830 -36.702 -15.514 1.00 28.03 H +ATOM 2776 HA LYS L 183 -18.981 -35.502 -17.199 1.00 28.78 H +ATOM 2777 HB3 LYS L 183 -19.908 -38.403 -17.245 1.00 28.89 H +ATOM 2778 HB2 LYS L 183 -18.761 -37.760 -16.139 1.00 28.89 H +ATOM 2779 HG3 LYS L 183 -17.155 -37.308 -17.929 1.00 33.93 H +ATOM 2780 HG2 LYS L 183 -18.351 -37.736 -19.157 1.00 33.93 H +ATOM 2781 HD3 LYS L 183 -18.445 -40.045 -18.269 1.00 35.53 H +ATOM 2782 HD2 LYS L 183 -17.276 -39.624 -17.024 1.00 35.53 H +ATOM 2783 HE3 LYS L 183 -15.617 -39.058 -18.798 1.00 43.94 H +ATOM 2784 HE2 LYS L 183 -16.782 -39.529 -20.023 1.00 43.94 H +ATOM 2785 HZ1 LYS L 183 -16.784 -41.750 -19.091 1.00 47.99 H +ATOM 2786 HZ2 LYS L 183 -15.259 -41.306 -19.531 1.00 47.99 H +ATOM 2787 HZ3 LYS L 183 -15.689 -41.308 -17.940 1.00 47.99 H +ATOM 2788 N ALA L 184 -21.605 -36.601 -18.861 1.00 23.37 N +ATOM 2789 CA ALA L 184 -22.320 -36.556 -20.140 1.00 25.59 C +ATOM 2790 C ALA L 184 -22.563 -35.125 -20.618 1.00 24.61 C +ATOM 2791 O ALA L 184 -22.289 -34.816 -21.779 1.00 24.11 O +ATOM 2792 CB ALA L 184 -23.637 -37.330 -20.061 1.00 27.79 C +ATOM 2793 H ALA L 184 -22.074 -37.047 -18.086 1.00 23.37 H +ATOM 2794 HA ALA L 184 -21.694 -37.049 -20.884 1.00 25.59 H +ATOM 2795 HB1 ALA L 184 -24.147 -37.280 -21.023 1.00 27.79 H +ATOM 2796 HB2 ALA L 184 -23.433 -38.371 -19.812 1.00 27.79 H +ATOM 2797 HB3 ALA L 184 -24.272 -36.891 -19.291 1.00 27.79 H +ATOM 2798 N ASP L 185 -23.061 -34.266 -19.723 1.00 23.08 N +ATOM 2799 CA ASP L 185 -23.282 -32.851 -20.036 1.00 25.88 C +ATOM 2800 C ASP L 185 -21.967 -32.122 -20.265 1.00 26.14 C +ATOM 2801 O ASP L 185 -21.841 -31.344 -21.210 1.00 27.36 O +ATOM 2802 CB ASP L 185 -24.058 -32.143 -18.919 1.00 30.22 C +ATOM 2803 CG ASP L 185 -25.520 -32.543 -18.870 1.00 35.68 C +ATOM 2804 OD1 ASP L 185 -26.015 -33.196 -19.818 1.00 36.15 O +ATOM 2805 OD2 ASP L 185 -26.175 -32.201 -17.865 1.00 37.55 O +ATOM 2806 H ASP L 185 -23.299 -34.585 -18.795 1.00 23.08 H +ATOM 2807 HA ASP L 185 -23.870 -32.791 -20.952 1.00 25.88 H +ATOM 2808 HB3 ASP L 185 -23.982 -31.064 -19.053 1.00 30.22 H +ATOM 2809 HB2 ASP L 185 -23.591 -32.361 -17.959 1.00 30.22 H +ATOM 2810 N TYR L 186 -20.991 -32.374 -19.391 1.00 24.09 N +ATOM 2811 CA TYR L 186 -19.666 -31.776 -19.535 1.00 23.32 C +ATOM 2812 C TYR L 186 -19.097 -32.030 -20.933 1.00 24.47 C +ATOM 2813 O TYR L 186 -18.518 -31.130 -21.547 1.00 24.15 O +ATOM 2814 CB TYR L 186 -18.707 -32.306 -18.469 1.00 25.15 C +ATOM 2815 CG TYR L 186 -17.290 -31.761 -18.586 1.00 23.41 C +ATOM 2816 CD1 TYR L 186 -17.000 -30.436 -18.256 1.00 24.07 C +ATOM 2817 CD2 TYR L 186 -16.239 -32.578 -18.994 1.00 21.72 C +ATOM 2818 CE1 TYR L 186 -15.698 -29.926 -18.362 1.00 22.40 C +ATOM 2819 CE2 TYR L 186 -14.922 -32.078 -19.082 1.00 23.45 C +ATOM 2820 CZ TYR L 186 -14.667 -30.757 -18.775 1.00 24.08 C +ATOM 2821 OH TYR L 186 -13.380 -30.255 -18.868 1.00 24.26 O +ATOM 2822 H TYR L 186 -21.160 -32.990 -18.609 1.00 24.09 H +ATOM 2823 HA TYR L 186 -19.763 -30.699 -19.399 1.00 23.32 H +ATOM 2824 HB3 TYR L 186 -18.681 -33.395 -18.516 1.00 25.15 H +ATOM 2825 HB2 TYR L 186 -19.103 -32.075 -17.480 1.00 25.15 H +ATOM 2826 HD1 TYR L 186 -17.786 -29.781 -17.911 1.00 24.07 H +ATOM 2827 HD2 TYR L 186 -16.425 -33.611 -19.249 1.00 21.72 H +ATOM 2828 HE1 TYR L 186 -15.502 -28.891 -18.123 1.00 22.40 H +ATOM 2829 HE2 TYR L 186 -14.117 -32.729 -19.389 1.00 23.45 H +ATOM 2830 HH TYR L 186 -12.786 -30.948 -19.165 1.00 24.26 H +ATOM 2831 N GLU L 187 -19.279 -33.250 -21.440 1.00 25.71 N +ATOM 2832 CA GLU L 187 -18.707 -33.639 -22.735 1.00 28.01 C +ATOM 2833 C GLU L 187 -19.497 -33.123 -23.933 1.00 28.22 C +ATOM 2834 O GLU L 187 -19.089 -33.323 -25.085 1.00 28.91 O +ATOM 2835 CB GLU L 187 -18.545 -35.159 -22.832 1.00 31.27 C +ATOM 2836 CG GLU L 187 -17.464 -35.717 -21.931 1.00 35.20 C +ATOM 2837 CD GLU L 187 -17.322 -37.225 -22.040 1.00 36.02 C +ATOM 2838 OE1 GLU L 187 -18.129 -37.861 -22.758 1.00 36.97 O +ATOM 2839 OE2 GLU L 187 -16.396 -37.770 -21.399 1.00 38.99 O +ATOM 2840 H GLU L 187 -19.822 -33.933 -20.931 1.00 25.71 H +ATOM 2841 HA GLU L 187 -17.710 -33.203 -22.793 1.00 28.01 H +ATOM 2842 HB3 GLU L 187 -18.333 -35.435 -23.865 1.00 31.27 H +ATOM 2843 HB2 GLU L 187 -19.495 -35.640 -22.597 1.00 31.27 H +ATOM 2844 HG3 GLU L 187 -17.680 -35.447 -20.897 1.00 35.20 H +ATOM 2845 HG2 GLU L 187 -16.512 -35.245 -22.173 1.00 35.20 H +ATOM 2846 N LYS L 188 -20.628 -32.474 -23.673 1.00 25.91 N +ATOM 2847 CA LYS L 188 -21.435 -31.906 -24.750 1.00 29.59 C +ATOM 2848 C LYS L 188 -20.922 -30.527 -25.147 1.00 26.55 C +ATOM 2849 O LYS L 188 -21.313 -30.001 -26.185 1.00 26.38 O +ATOM 2850 CB LYS L 188 -22.911 -31.811 -24.348 1.00 30.90 C +ATOM 2851 CG LYS L 188 -23.684 -33.119 -24.384 1.00 34.53 C +ATOM 2852 CD LYS L 188 -25.122 -32.884 -23.930 1.00 37.73 C +ATOM 2853 CE LYS L 188 -25.907 -34.181 -23.747 1.00 43.18 C +ATOM 2854 NZ LYS L 188 -26.350 -34.776 -25.041 1.00 46.23 N +ATOM 2855 H LYS L 188 -20.941 -32.368 -22.719 1.00 25.91 H +ATOM 2856 HA LYS L 188 -21.358 -32.562 -25.617 1.00 29.59 H +ATOM 2857 HB3 LYS L 188 -23.411 -31.080 -24.983 1.00 30.90 H +ATOM 2858 HB2 LYS L 188 -22.985 -31.376 -23.351 1.00 30.90 H +ATOM 2859 HG3 LYS L 188 -23.207 -33.841 -23.721 1.00 34.53 H +ATOM 2860 HG2 LYS L 188 -23.684 -33.513 -25.400 1.00 34.53 H +ATOM 2861 HD3 LYS L 188 -25.632 -32.251 -24.656 1.00 37.73 H +ATOM 2862 HD2 LYS L 188 -25.119 -32.327 -22.993 1.00 37.73 H +ATOM 2863 HE3 LYS L 188 -26.777 -33.992 -23.119 1.00 43.18 H +ATOM 2864 HE2 LYS L 188 -25.293 -34.903 -23.208 1.00 43.18 H +ATOM 2865 HZ1 LYS L 188 -25.542 -34.982 -25.611 1.00 46.23 H +ATOM 2866 HZ2 LYS L 188 -26.862 -35.628 -24.863 1.00 46.23 H +ATOM 2867 HZ3 LYS L 188 -26.946 -34.121 -25.527 1.00 46.23 H +ATOM 2868 N HIS L 189 -20.046 -29.947 -24.323 1.00 24.07 N +ATOM 2869 CA HIS L 189 -19.636 -28.562 -24.504 1.00 25.93 C +ATOM 2870 C HIS L 189 -18.121 -28.374 -24.562 1.00 24.39 C +ATOM 2871 O HIS L 189 -17.358 -29.239 -24.127 1.00 27.07 O +ATOM 2872 CB HIS L 189 -20.276 -27.696 -23.416 1.00 27.60 C +ATOM 2873 CG HIS L 189 -21.762 -27.855 -23.336 1.00 30.99 C +ATOM 2874 ND1 HIS L 189 -22.388 -28.523 -22.304 1.00 36.49 N +ATOM 2875 CD2 HIS L 189 -22.744 -27.460 -24.178 1.00 27.95 C +ATOM 2876 CE1 HIS L 189 -23.693 -28.519 -22.508 1.00 35.31 C +ATOM 2877 NE2 HIS L 189 -23.934 -27.881 -23.640 1.00 31.64 N +ATOM 2878 H HIS L 189 -19.653 -30.471 -23.554 1.00 24.07 H +ATOM 2879 HA HIS L 189 -20.039 -28.229 -25.460 1.00 25.93 H +ATOM 2880 HB3 HIS L 189 -20.033 -26.649 -23.597 1.00 27.60 H +ATOM 2881 HB2 HIS L 189 -19.833 -27.942 -22.451 1.00 27.60 H +ATOM 2882 HD1 HIS L 189 -21.841 -28.919 -21.553 1.00 36.49 H +ATOM 2883 HD2 HIS L 189 -22.497 -26.917 -25.079 1.00 27.95 H +ATOM 2884 HE1 HIS L 189 -24.352 -28.992 -21.795 1.00 35.31 H +ATOM 2885 N LYS L 190 -17.699 -27.237 -25.108 1.00 24.53 N +ATOM 2886 CA LYS L 190 -16.281 -26.964 -25.341 1.00 25.13 C +ATOM 2887 C LYS L 190 -15.703 -25.926 -24.381 1.00 22.30 C +ATOM 2888 O LYS L 190 -14.755 -26.229 -23.671 1.00 24.38 O +ATOM 2889 CB LYS L 190 -16.057 -26.531 -26.797 1.00 27.23 C +ATOM 2890 CG LYS L 190 -14.625 -26.166 -27.149 1.00 31.23 C +ATOM 2891 CD LYS L 190 -14.547 -25.667 -28.584 1.00 37.12 C +ATOM 2892 CE LYS L 190 -13.240 -24.942 -28.867 1.00 41.18 C +ATOM 2893 NZ LYS L 190 -13.322 -24.157 -30.140 1.00 40.16 N +ATOM 2894 H LYS L 190 -18.366 -26.528 -25.377 1.00 24.53 H +ATOM 2895 HA LYS L 190 -15.736 -27.895 -25.187 1.00 25.13 H +ATOM 2896 HB3 LYS L 190 -16.710 -25.690 -27.027 1.00 27.23 H +ATOM 2897 HB2 LYS L 190 -16.402 -27.320 -27.465 1.00 27.23 H +ATOM 2898 HG3 LYS L 190 -13.988 -27.043 -27.035 1.00 31.23 H +ATOM 2899 HG2 LYS L 190 -14.273 -25.386 -26.474 1.00 31.23 H +ATOM 2900 HD3 LYS L 190 -15.383 -24.996 -28.781 1.00 37.12 H +ATOM 2901 HD2 LYS L 190 -14.649 -26.510 -29.267 1.00 37.12 H +ATOM 2902 HE3 LYS L 190 -12.431 -25.668 -28.940 1.00 41.18 H +ATOM 2903 HE2 LYS L 190 -13.012 -24.270 -28.040 1.00 41.18 H +ATOM 2904 HZ1 LYS L 190 -14.155 -23.585 -30.130 1.00 40.16 H +ATOM 2905 HZ2 LYS L 190 -12.508 -23.565 -30.224 1.00 40.16 H +ATOM 2906 HZ3 LYS L 190 -13.359 -24.791 -30.925 1.00 40.16 H +ATOM 2907 N VAL L 191 -16.274 -24.716 -24.373 1.00 21.76 N +ATOM 2908 CA VAL L 191 -15.709 -23.555 -23.652 1.00 19.61 C +ATOM 2909 C VAL L 191 -16.342 -23.373 -22.274 1.00 19.24 C +ATOM 2910 O VAL L 191 -17.558 -23.185 -22.159 1.00 19.21 O +ATOM 2911 CB VAL L 191 -15.859 -22.224 -24.454 1.00 21.59 C +ATOM 2912 CG1 VAL L 191 -15.060 -21.096 -23.795 1.00 20.31 C +ATOM 2913 CG2 VAL L 191 -15.441 -22.394 -25.928 1.00 22.55 C +ATOM 2914 H VAL L 191 -17.135 -24.561 -24.877 1.00 21.76 H +ATOM 2915 HA VAL L 191 -14.644 -23.739 -23.508 1.00 19.61 H +ATOM 2916 HB VAL L 191 -16.912 -21.941 -24.437 1.00 21.59 H +ATOM 2917 HG11 VAL L 191 -15.181 -20.179 -24.372 1.00 20.31 H +ATOM 2918 HG12 VAL L 191 -15.425 -20.936 -22.780 1.00 20.31 H +ATOM 2919 HG13 VAL L 191 -14.005 -21.368 -23.763 1.00 20.31 H +ATOM 2920 HG21 VAL L 191 -15.560 -21.445 -26.452 1.00 22.55 H +ATOM 2921 HG22 VAL L 191 -14.398 -22.707 -25.977 1.00 22.55 H +ATOM 2922 HG23 VAL L 191 -16.069 -23.150 -26.399 1.00 22.55 H +ATOM 2923 N TYR L 192 -15.511 -23.440 -21.238 1.00 17.27 N +ATOM 2924 CA TYR L 192 -15.962 -23.286 -19.848 1.00 19.89 C +ATOM 2925 C TYR L 192 -15.334 -22.028 -19.300 1.00 20.75 C +ATOM 2926 O TYR L 192 -14.109 -21.913 -19.265 1.00 22.41 O +ATOM 2927 CB TYR L 192 -15.568 -24.511 -19.024 1.00 21.70 C +ATOM 2928 CG TYR L 192 -16.436 -25.670 -19.385 1.00 23.74 C +ATOM 2929 CD1 TYR L 192 -17.570 -25.957 -18.634 1.00 22.15 C +ATOM 2930 CD2 TYR L 192 -16.170 -26.441 -20.518 1.00 20.09 C +ATOM 2931 CE1 TYR L 192 -18.407 -26.995 -18.976 1.00 21.40 C +ATOM 2932 CE2 TYR L 192 -17.021 -27.495 -20.878 1.00 20.57 C +ATOM 2933 CZ TYR L 192 -18.131 -27.762 -20.094 1.00 20.51 C +ATOM 2934 OH TYR L 192 -18.999 -28.782 -20.428 1.00 23.32 O +ATOM 2935 H TYR L 192 -14.526 -23.603 -21.390 1.00 17.27 H +ATOM 2936 HA TYR L 192 -17.047 -23.179 -19.834 1.00 19.89 H +ATOM 2937 HB3 TYR L 192 -15.683 -24.288 -17.963 1.00 21.70 H +ATOM 2938 HB2 TYR L 192 -14.526 -24.762 -19.222 1.00 21.70 H +ATOM 2939 HD1 TYR L 192 -17.807 -25.361 -17.765 1.00 22.15 H +ATOM 2940 HD2 TYR L 192 -15.303 -26.227 -21.125 1.00 20.09 H +ATOM 2941 HE1 TYR L 192 -19.277 -27.209 -18.372 1.00 21.40 H +ATOM 2942 HE2 TYR L 192 -16.807 -28.086 -21.756 1.00 20.57 H +ATOM 2943 HH TYR L 192 -18.514 -29.484 -20.868 1.00 23.32 H +ATOM 2944 N ALA L 193 -16.170 -21.079 -18.889 1.00 18.07 N +ATOM 2945 CA ALA L 193 -15.676 -19.771 -18.495 1.00 19.02 C +ATOM 2946 C ALA L 193 -16.273 -19.348 -17.174 1.00 22.24 C +ATOM 2947 O ALA L 193 -17.437 -19.645 -16.891 1.00 21.61 O +ATOM 2948 CB ALA L 193 -15.959 -18.737 -19.584 1.00 16.54 C +ATOM 2949 H ALA L 193 -17.162 -21.263 -18.848 1.00 18.07 H +ATOM 2950 HA ALA L 193 -14.596 -19.842 -18.370 1.00 19.02 H +ATOM 2951 HB1 ALA L 193 -15.581 -17.764 -19.269 1.00 16.54 H +ATOM 2952 HB2 ALA L 193 -15.464 -19.037 -20.508 1.00 16.54 H +ATOM 2953 HB3 ALA L 193 -17.034 -18.671 -19.753 1.00 16.54 H +ATOM 2954 N CYS L 194 -15.435 -18.712 -16.355 1.00 22.01 N +ATOM 2955 CA CYS L 194 -15.858 -18.078 -15.120 1.00 20.75 C +ATOM 2956 C CYS L 194 -15.649 -16.566 -15.305 1.00 23.53 C +ATOM 2957 O CYS L 194 -14.518 -16.124 -15.542 1.00 23.06 O +ATOM 2958 CB CYS L 194 -15.006 -18.622 -13.956 1.00 26.87 C +ATOM 2959 SG CYS L 194 -15.214 -17.692 -12.471 1.00 35.67 S +ATOM 2960 H CYS L 194 -14.453 -18.655 -16.583 1.00 22.01 H +ATOM 2961 HA CYS L 194 -16.912 -18.287 -14.938 1.00 20.75 H +ATOM 2962 HB3 CYS L 194 -13.954 -18.616 -14.243 1.00 26.87 H +ATOM 2963 HB2 CYS L 194 -15.268 -19.664 -13.771 1.00 26.87 H +ATOM 2964 N GLU L 195 -16.730 -15.779 -15.238 1.00 20.89 N +ATOM 2965 CA GLU L 195 -16.634 -14.312 -15.363 1.00 21.85 C +ATOM 2966 C GLU L 195 -16.810 -13.631 -14.004 1.00 20.53 C +ATOM 2967 O GLU L 195 -17.818 -13.835 -13.337 1.00 21.86 O +ATOM 2968 CB GLU L 195 -17.687 -13.783 -16.337 1.00 24.67 C +ATOM 2969 CG GLU L 195 -17.669 -12.274 -16.528 1.00 29.62 C +ATOM 2970 CD GLU L 195 -18.982 -11.748 -17.066 1.00 35.07 C +ATOM 2971 OE1 GLU L 195 -19.959 -11.641 -16.287 1.00 37.65 O +ATOM 2972 OE2 GLU L 195 -19.031 -11.445 -18.270 1.00 36.89 O +ATOM 2973 H GLU L 195 -17.643 -16.187 -15.098 1.00 20.89 H +ATOM 2974 HA GLU L 195 -15.647 -14.061 -15.751 1.00 21.85 H +ATOM 2975 HB3 GLU L 195 -18.677 -14.093 -16.002 1.00 24.67 H +ATOM 2976 HB2 GLU L 195 -17.562 -14.271 -17.304 1.00 24.67 H +ATOM 2977 HG3 GLU L 195 -16.863 -12.005 -17.211 1.00 29.62 H +ATOM 2978 HG2 GLU L 195 -17.448 -11.791 -15.576 1.00 29.62 H +ATOM 2979 N VAL L 196 -15.829 -12.829 -13.611 1.00 18.03 N +ATOM 2980 CA VAL L 196 -15.815 -12.204 -12.284 1.00 21.64 C +ATOM 2981 C VAL L 196 -15.974 -10.689 -12.383 1.00 22.18 C +ATOM 2982 O VAL L 196 -15.249 -10.022 -13.132 1.00 21.05 O +ATOM 2983 CB VAL L 196 -14.506 -12.543 -11.533 1.00 23.07 C +ATOM 2984 CG1 VAL L 196 -14.389 -11.764 -10.202 1.00 18.13 C +ATOM 2985 CG2 VAL L 196 -14.407 -14.037 -11.311 1.00 22.01 C +ATOM 2986 H VAL L 196 -15.058 -12.631 -14.233 1.00 18.03 H +ATOM 2987 HA VAL L 196 -16.652 -12.600 -11.710 1.00 21.64 H +ATOM 2988 HB VAL L 196 -13.671 -12.245 -12.168 1.00 23.07 H +ATOM 2989 HG11 VAL L 196 -13.456 -12.030 -9.705 1.00 18.13 H +ATOM 2990 HG12 VAL L 196 -14.399 -10.693 -10.405 1.00 18.13 H +ATOM 2991 HG13 VAL L 196 -15.229 -12.019 -9.556 1.00 18.13 H +ATOM 2992 HG21 VAL L 196 -13.482 -14.266 -10.782 1.00 22.01 H +ATOM 2993 HG22 VAL L 196 -15.257 -14.374 -10.718 1.00 22.01 H +ATOM 2994 HG23 VAL L 196 -14.410 -14.549 -12.273 1.00 22.01 H +ATOM 2995 N THR L 197 -16.936 -10.177 -11.628 1.00 23.32 N +ATOM 2996 CA THR L 197 -17.162 -8.756 -11.452 1.00 22.56 C +ATOM 2997 C THR L 197 -16.872 -8.401 -9.998 1.00 23.29 C +ATOM 2998 O THR L 197 -17.356 -9.066 -9.078 1.00 21.57 O +ATOM 2999 CB THR L 197 -18.622 -8.361 -11.795 1.00 25.14 C +ATOM 3000 OG1 THR L 197 -18.930 -8.783 -13.127 1.00 25.85 O +ATOM 3001 CG2 THR L 197 -18.802 -6.853 -11.715 1.00 24.66 C +ATOM 3002 H THR L 197 -17.568 -10.789 -11.131 1.00 23.32 H +ATOM 3003 HA THR L 197 -16.480 -8.203 -12.098 1.00 22.56 H +ATOM 3004 HB THR L 197 -19.303 -8.845 -11.095 1.00 25.14 H +ATOM 3005 HG1 THR L 197 -18.330 -8.358 -13.745 1.00 25.85 H +ATOM 3006 HG21 THR L 197 -19.833 -6.596 -11.959 1.00 24.66 H +ATOM 3007 HG22 THR L 197 -18.572 -6.512 -10.705 1.00 24.66 H +ATOM 3008 HG23 THR L 197 -18.130 -6.368 -12.423 1.00 24.66 H +ATOM 3009 N HIS L 198 -16.062 -7.360 -9.814 1.00 21.53 N +ATOM 3010 CA HIS L 198 -15.699 -6.845 -8.492 1.00 22.17 C +ATOM 3011 C HIS L 198 -15.229 -5.399 -8.670 1.00 21.78 C +ATOM 3012 O HIS L 198 -14.590 -5.064 -9.675 1.00 22.06 O +ATOM 3013 CB HIS L 198 -14.597 -7.711 -7.856 1.00 19.12 C +ATOM 3014 CG HIS L 198 -14.132 -7.232 -6.514 1.00 20.53 C +ATOM 3015 ND1 HIS L 198 -13.216 -6.292 -6.169 1.00 21.55 N +ATOM 3016 CD2 HIS L 198 -14.619 -7.746 -5.329 1.00 20.30 C +ATOM 3017 CE1 HIS L 198 -13.170 -6.256 -4.795 1.00 20.82 C +ATOM 3018 NE2 HIS L 198 -14.021 -7.146 -4.312 1.00 25.63 N +ATOM 3019 H HIS L 198 -15.664 -6.883 -10.610 1.00 21.53 H +ATOM 3020 HA HIS L 198 -16.579 -6.858 -7.849 1.00 22.17 H +ATOM 3021 HB3 HIS L 198 -13.746 -7.767 -8.534 1.00 19.12 H +ATOM 3022 HB2 HIS L 198 -14.950 -8.739 -7.770 1.00 19.12 H +ATOM 3023 HD2 HIS L 198 -15.324 -8.469 -5.344 1.00 20.30 H +ATOM 3024 HE1 HIS L 198 -12.548 -5.612 -4.327 1.00 20.82 H +ATOM 3025 HE2 HIS L 198 -14.271 -7.424 -3.299 1.00 25.63 H +ATOM 3026 N GLN L 199 -15.564 -4.563 -7.684 1.00 23.95 N +ATOM 3027 CA GLN L 199 -15.145 -3.151 -7.572 1.00 26.61 C +ATOM 3028 C GLN L 199 -13.716 -2.829 -7.937 1.00 22.80 C +ATOM 3029 O GLN L 199 -13.434 -1.758 -8.456 1.00 24.26 O +ATOM 3030 CB GLN L 199 -15.222 -2.746 -6.111 1.00 29.82 C +ATOM 3031 CG GLN L 199 -16.436 -2.085 -5.727 1.00 35.30 C +ATOM 3032 CD GLN L 199 -16.564 -2.148 -4.255 1.00 30.82 C +ATOM 3033 OE1 GLN L 199 -17.277 -2.999 -3.746 1.00 30.85 O +ATOM 3034 NE2 GLN L 199 -15.847 -1.266 -3.544 1.00 27.44 N +ATOM 3035 H GLN L 199 -16.154 -4.883 -6.929 1.00 23.95 H +ATOM 3036 HA GLN L 199 -15.819 -2.525 -8.158 1.00 26.61 H +ATOM 3037 HB3 GLN L 199 -14.372 -2.108 -5.868 1.00 29.82 H +ATOM 3038 HB2 GLN L 199 -15.077 -3.626 -5.485 1.00 29.82 H +ATOM 3039 HG3 GLN L 199 -17.285 -2.590 -6.187 1.00 35.30 H +ATOM 3040 HG2 GLN L 199 -16.398 -1.043 -6.044 1.00 35.30 H +ATOM 3041 HE22 GLN L 199 -15.900 -1.268 -2.535 1.00 27.44 H +ATOM 3042 HE21 GLN L 199 -15.254 -0.599 -4.017 1.00 27.44 H +ATOM 3043 N GLY L 200 -12.813 -3.728 -7.573 1.00 23.42 N +ATOM 3044 CA GLY L 200 -11.383 -3.523 -7.763 1.00 24.08 C +ATOM 3045 C GLY L 200 -10.918 -3.752 -9.189 1.00 23.43 C +ATOM 3046 O GLY L 200 -9.775 -3.449 -9.516 1.00 25.45 O +ATOM 3047 H GLY L 200 -13.107 -4.595 -7.146 1.00 23.42 H +ATOM 3048 HA3 GLY L 200 -10.831 -4.182 -7.092 1.00 24.08 H +ATOM 3049 HA2 GLY L 200 -11.119 -2.512 -7.454 1.00 24.08 H +ATOM 3050 N LEU L 201 -11.798 -4.281 -10.035 1.00 24.20 N +ATOM 3051 CA LEU L 201 -11.468 -4.522 -11.454 1.00 22.72 C +ATOM 3052 C LEU L 201 -12.098 -3.445 -12.333 1.00 27.99 C +ATOM 3053 O LEU L 201 -13.248 -3.070 -12.104 1.00 27.14 O +ATOM 3054 CB LEU L 201 -11.968 -5.905 -11.891 1.00 22.76 C +ATOM 3055 CG LEU L 201 -11.500 -7.085 -11.037 1.00 21.50 C +ATOM 3056 CD1 LEU L 201 -12.401 -8.293 -11.263 1.00 25.90 C +ATOM 3057 CD2 LEU L 201 -10.025 -7.410 -11.303 1.00 24.50 C +ATOM 3058 H LEU L 201 -12.722 -4.530 -9.712 1.00 24.20 H +ATOM 3059 HA LEU L 201 -10.385 -4.485 -11.574 1.00 22.72 H +ATOM 3060 HB3 LEU L 201 -11.685 -6.078 -12.929 1.00 22.76 H +ATOM 3061 HB2 LEU L 201 -13.057 -5.898 -11.929 1.00 22.76 H +ATOM 3062 HG LEU L 201 -11.592 -6.794 -9.991 1.00 21.50 H +ATOM 3063 HD11 LEU L 201 -12.056 -9.125 -10.649 1.00 25.90 H +ATOM 3064 HD12 LEU L 201 -13.425 -8.040 -10.988 1.00 25.90 H +ATOM 3065 HD13 LEU L 201 -12.368 -8.580 -12.314 1.00 25.90 H +ATOM 3066 HD21 LEU L 201 -9.720 -8.253 -10.682 1.00 24.50 H +ATOM 3067 HD22 LEU L 201 -9.893 -7.667 -12.354 1.00 24.50 H +ATOM 3068 HD23 LEU L 201 -9.412 -6.542 -11.062 1.00 24.50 H +ATOM 3069 N SER L 202 -11.339 -2.954 -13.320 1.00 26.56 N +ATOM 3070 CA SER L 202 -11.805 -1.915 -14.257 1.00 33.23 C +ATOM 3071 C SER L 202 -12.987 -2.389 -15.085 1.00 33.33 C +ATOM 3072 O SER L 202 -13.878 -1.604 -15.422 1.00 33.43 O +ATOM 3073 CB SER L 202 -10.685 -1.502 -15.214 1.00 36.46 C +ATOM 3074 OG SER L 202 -9.720 -0.697 -14.568 1.00 43.83 O +ATOM 3075 H SER L 202 -10.397 -3.295 -13.450 1.00 26.56 H +ATOM 3076 HA SER L 202 -12.111 -1.041 -13.682 1.00 33.23 H +ATOM 3077 HB3 SER L 202 -11.110 -0.954 -16.055 1.00 36.46 H +ATOM 3078 HB2 SER L 202 -10.204 -2.394 -15.615 1.00 36.46 H +ATOM 3079 HG SER L 202 -9.033 -0.456 -15.194 1.00 43.83 H +ATOM 3080 N SER L 203 -12.952 -3.673 -15.442 1.00 26.95 N +ATOM 3081 CA SER L 203 -14.039 -4.357 -16.134 1.00 28.64 C +ATOM 3082 C SER L 203 -13.951 -5.847 -15.770 1.00 30.68 C +ATOM 3083 O SER L 203 -12.915 -6.292 -15.264 1.00 28.01 O +ATOM 3084 CB SER L 203 -13.939 -4.137 -17.648 1.00 31.21 C +ATOM 3085 OG SER L 203 -12.754 -4.714 -18.163 1.00 34.66 O +ATOM 3086 H SER L 203 -12.137 -4.233 -15.235 1.00 26.95 H +ATOM 3087 HA SER L 203 -14.991 -3.961 -15.780 1.00 28.64 H +ATOM 3088 HB3 SER L 203 -13.944 -3.068 -17.861 1.00 31.21 H +ATOM 3089 HB2 SER L 203 -14.803 -4.585 -18.138 1.00 31.21 H +ATOM 3090 HG SER L 203 -12.755 -5.658 -17.987 1.00 34.66 H +ATOM 3091 N PRO L 204 -15.040 -6.614 -15.989 1.00 31.92 N +ATOM 3092 CA PRO L 204 -15.053 -8.007 -15.524 1.00 30.72 C +ATOM 3093 C PRO L 204 -13.956 -8.871 -16.143 1.00 29.74 C +ATOM 3094 O PRO L 204 -13.607 -8.698 -17.308 1.00 29.24 O +ATOM 3095 CB PRO L 204 -16.442 -8.504 -15.932 1.00 33.98 C +ATOM 3096 CG PRO L 204 -17.272 -7.246 -16.070 1.00 32.83 C +ATOM 3097 CD PRO L 204 -16.315 -6.241 -16.631 1.00 31.82 C +ATOM 3098 HA PRO L 204 -14.964 -8.029 -14.438 1.00 30.72 H +ATOM 3099 HB3 PRO L 204 -16.853 -9.122 -15.134 1.00 33.98 H +ATOM 3100 HB2 PRO L 204 -16.378 -9.002 -16.899 1.00 33.98 H +ATOM 3101 HG3 PRO L 204 -17.600 -6.920 -15.083 1.00 32.83 H +ATOM 3102 HG2 PRO L 204 -18.074 -7.420 -16.788 1.00 32.83 H +ATOM 3103 HD2 PRO L 204 -16.231 -6.387 -17.708 1.00 31.82 H +ATOM 3104 HD3 PRO L 204 -16.606 -5.244 -16.300 1.00 31.82 H +ATOM 3105 N VAL L 205 -13.417 -9.778 -15.335 1.00 24.11 N +ATOM 3106 CA VAL L 205 -12.324 -10.671 -15.723 1.00 25.26 C +ATOM 3107 C VAL L 205 -12.891 -12.061 -16.037 1.00 26.41 C +ATOM 3108 O VAL L 205 -13.650 -12.630 -15.234 1.00 25.00 O +ATOM 3109 CB VAL L 205 -11.270 -10.784 -14.586 1.00 27.13 C +ATOM 3110 CG1 VAL L 205 -10.300 -11.937 -14.832 1.00 28.23 C +ATOM 3111 CG2 VAL L 205 -10.505 -9.468 -14.413 1.00 30.85 C +ATOM 3112 H VAL L 205 -13.761 -9.881 -14.391 1.00 24.11 H +ATOM 3113 HA VAL L 205 -11.841 -10.274 -16.616 1.00 25.26 H +ATOM 3114 HB VAL L 205 -11.801 -10.987 -13.656 1.00 27.13 H +ATOM 3115 HG11 VAL L 205 -9.578 -11.985 -14.017 1.00 28.23 H +ATOM 3116 HG12 VAL L 205 -10.854 -12.874 -14.882 1.00 28.23 H +ATOM 3117 HG13 VAL L 205 -9.775 -11.776 -15.773 1.00 28.23 H +ATOM 3118 HG21 VAL L 205 -9.774 -9.575 -13.611 1.00 30.85 H +ATOM 3119 HG22 VAL L 205 -9.991 -9.221 -15.342 1.00 30.85 H +ATOM 3120 HG23 VAL L 205 -11.205 -8.671 -14.162 1.00 30.85 H +ATOM 3121 N THR L 206 -12.522 -12.608 -17.190 1.00 24.04 N +ATOM 3122 CA THR L 206 -12.955 -13.962 -17.557 1.00 24.95 C +ATOM 3123 C THR L 206 -11.762 -14.895 -17.597 1.00 24.44 C +ATOM 3124 O THR L 206 -10.732 -14.593 -18.214 1.00 23.73 O +ATOM 3125 CB THR L 206 -13.720 -13.995 -18.909 1.00 27.83 C +ATOM 3126 OG1 THR L 206 -14.929 -13.233 -18.802 1.00 29.07 O +ATOM 3127 CG2 THR L 206 -14.069 -15.443 -19.324 1.00 28.42 C +ATOM 3128 H THR L 206 -11.935 -12.091 -17.829 1.00 24.04 H +ATOM 3129 HA THR L 206 -13.632 -14.318 -16.781 1.00 24.95 H +ATOM 3130 HB THR L 206 -13.091 -13.550 -19.680 1.00 27.83 H +ATOM 3131 HG1 THR L 206 -14.716 -12.324 -18.580 1.00 29.07 H +ATOM 3132 HG21 THR L 206 -14.604 -15.430 -20.274 1.00 28.42 H +ATOM 3133 HG22 THR L 206 -13.152 -16.022 -19.432 1.00 28.42 H +ATOM 3134 HG23 THR L 206 -14.698 -15.899 -18.560 1.00 28.42 H +ATOM 3135 N LYS L 207 -11.888 -16.024 -16.915 1.00 21.16 N +ATOM 3136 CA LYS L 207 -10.911 -17.095 -17.052 1.00 21.99 C +ATOM 3137 C LYS L 207 -11.647 -18.240 -17.706 1.00 20.51 C +ATOM 3138 O LYS L 207 -12.763 -18.558 -17.320 1.00 19.33 O +ATOM 3139 CB LYS L 207 -10.354 -17.520 -15.689 1.00 21.34 C +ATOM 3140 CG LYS L 207 -9.587 -16.427 -14.950 1.00 21.71 C +ATOM 3141 CD LYS L 207 -8.363 -15.964 -15.738 1.00 25.86 C +ATOM 3142 CE LYS L 207 -7.754 -14.697 -15.119 1.00 33.15 C +ATOM 3143 NZ LYS L 207 -6.573 -14.184 -15.898 1.00 35.30 N +ATOM 3144 H LYS L 207 -12.670 -16.151 -16.289 1.00 21.16 H +ATOM 3145 HA LYS L 207 -10.095 -16.767 -17.696 1.00 21.99 H +ATOM 3146 HB3 LYS L 207 -9.709 -18.389 -15.818 1.00 21.34 H +ATOM 3147 HB2 LYS L 207 -11.170 -17.876 -15.061 1.00 21.34 H +ATOM 3148 HG3 LYS L 207 -9.271 -16.801 -13.976 1.00 21.71 H +ATOM 3149 HG2 LYS L 207 -10.247 -15.578 -14.773 1.00 21.71 H +ATOM 3150 HD3 LYS L 207 -8.651 -15.762 -16.770 1.00 25.86 H +ATOM 3151 HD2 LYS L 207 -7.616 -16.758 -15.748 1.00 25.86 H +ATOM 3152 HE3 LYS L 207 -7.449 -14.905 -14.094 1.00 33.15 H +ATOM 3153 HE2 LYS L 207 -8.516 -13.919 -15.062 1.00 33.15 H +ATOM 3154 HZ1 LYS L 207 -5.767 -14.763 -15.709 1.00 35.30 H +ATOM 3155 HZ2 LYS L 207 -6.783 -14.212 -16.886 1.00 35.30 H +ATOM 3156 HZ3 LYS L 207 -6.375 -13.233 -15.623 1.00 35.30 H +ATOM 3157 N SER L 208 -11.047 -18.842 -18.716 1.00 18.14 N +ATOM 3158 CA SER L 208 -11.726 -19.930 -19.410 1.00 20.25 C +ATOM 3159 C SER L 208 -10.761 -21.016 -19.874 1.00 22.18 C +ATOM 3160 O SER L 208 -9.542 -20.814 -19.899 1.00 22.96 O +ATOM 3161 CB SER L 208 -12.548 -19.399 -20.590 1.00 22.92 C +ATOM 3162 OG SER L 208 -11.718 -18.815 -21.576 1.00 25.81 O +ATOM 3163 H SER L 208 -10.124 -18.548 -19.003 1.00 18.14 H +ATOM 3164 HA SER L 208 -12.420 -20.387 -18.705 1.00 20.25 H +ATOM 3165 HB3 SER L 208 -13.261 -18.657 -20.231 1.00 22.92 H +ATOM 3166 HB2 SER L 208 -13.117 -20.216 -21.033 1.00 22.92 H +ATOM 3167 HG SER L 208 -11.101 -19.472 -21.906 1.00 25.81 H +ATOM 3168 N PHE L 209 -11.323 -22.166 -20.240 1.00 20.88 N +ATOM 3169 CA PHE L 209 -10.557 -23.228 -20.893 1.00 23.45 C +ATOM 3170 C PHE L 209 -11.442 -23.902 -21.917 1.00 25.29 C +ATOM 3171 O PHE L 209 -12.670 -23.794 -21.845 1.00 25.75 O +ATOM 3172 CB PHE L 209 -9.997 -24.253 -19.872 1.00 20.56 C +ATOM 3173 CG PHE L 209 -11.058 -25.020 -19.113 1.00 22.80 C +ATOM 3174 CD1 PHE L 209 -11.535 -24.545 -17.891 1.00 22.20 C +ATOM 3175 CD2 PHE L 209 -11.571 -26.220 -19.617 1.00 21.74 C +ATOM 3176 CE1 PHE L 209 -12.523 -25.256 -17.176 1.00 22.80 C +ATOM 3177 CE2 PHE L 209 -12.540 -26.936 -18.927 1.00 22.62 C +ATOM 3178 CZ PHE L 209 -13.023 -26.467 -17.705 1.00 22.02 C +ATOM 3179 H PHE L 209 -12.306 -22.325 -20.069 1.00 20.88 H +ATOM 3180 HA PHE L 209 -9.716 -22.771 -21.415 1.00 23.45 H +ATOM 3181 HB3 PHE L 209 -9.347 -23.739 -19.164 1.00 20.56 H +ATOM 3182 HB2 PHE L 209 -9.343 -24.956 -20.388 1.00 20.56 H +ATOM 3183 HD1 PHE L 209 -11.148 -23.623 -17.482 1.00 22.20 H +ATOM 3184 HD2 PHE L 209 -11.214 -26.606 -20.560 1.00 21.74 H +ATOM 3185 HE1 PHE L 209 -12.889 -24.873 -16.235 1.00 22.80 H +ATOM 3186 HE2 PHE L 209 -12.923 -27.859 -19.336 1.00 22.62 H +ATOM 3187 HZ PHE L 209 -13.774 -27.023 -17.164 1.00 22.02 H +ATOM 3188 N ASN L 210 -10.820 -24.572 -22.884 1.00 24.50 N +ATOM 3189 CA ASN L 210 -11.537 -25.426 -23.830 1.00 26.18 C +ATOM 3190 C ASN L 210 -11.343 -26.868 -23.408 1.00 25.05 C +ATOM 3191 O ASN L 210 -10.211 -27.321 -23.287 1.00 27.52 O +ATOM 3192 CB ASN L 210 -10.988 -25.260 -25.250 1.00 28.63 C +ATOM 3193 CG ASN L 210 -11.201 -23.870 -25.818 1.00 32.12 C +ATOM 3194 OD1 ASN L 210 -10.455 -23.438 -26.690 1.00 36.19 O +ATOM 3195 ND2 ASN L 210 -12.222 -23.169 -25.339 1.00 34.15 N +ATOM 3196 H ASN L 210 -9.817 -24.500 -22.984 1.00 24.50 H +ATOM 3197 HA ASN L 210 -12.599 -25.179 -23.816 1.00 26.18 H +ATOM 3198 HB3 ASN L 210 -11.454 -25.995 -25.906 1.00 28.63 H +ATOM 3199 HB2 ASN L 210 -9.923 -25.494 -25.256 1.00 28.63 H +ATOM 3200 HD22 ASN L 210 -12.403 -22.238 -25.687 1.00 34.15 H +ATOM 3201 HD21 ASN L 210 -12.817 -23.566 -24.627 1.00 34.15 H +ATOM 3202 N ARG L 211 -12.439 -27.577 -23.161 1.00 25.98 N +ATOM 3203 CA ARG L 211 -12.379 -28.977 -22.752 1.00 27.71 C +ATOM 3204 C ARG L 211 -11.606 -29.756 -23.821 1.00 32.62 C +ATOM 3205 O ARG L 211 -11.935 -29.674 -24.999 1.00 28.86 O +ATOM 3206 CB ARG L 211 -13.797 -29.539 -22.582 1.00 27.31 C +ATOM 3207 CG ARG L 211 -13.860 -31.043 -22.317 1.00 28.66 C +ATOM 3208 CD ARG L 211 -15.291 -31.591 -22.425 1.00 28.05 C +ATOM 3209 NE ARG L 211 -15.899 -31.300 -23.723 1.00 28.32 N +ATOM 3210 CZ ARG L 211 -15.652 -31.964 -24.845 1.00 30.65 C +ATOM 3211 NH1 ARG L 211 -14.813 -32.993 -24.854 1.00 30.69 N +ATOM 3212 NH2 ARG L 211 -16.256 -31.599 -25.966 1.00 32.91 N +ATOM 3213 H ARG L 211 -13.349 -27.149 -23.254 1.00 25.98 H +ATOM 3214 HA ARG L 211 -11.849 -29.050 -21.802 1.00 27.71 H +ATOM 3215 HB3 ARG L 211 -14.387 -29.304 -23.468 1.00 27.31 H +ATOM 3216 HB2 ARG L 211 -14.301 -29.009 -21.774 1.00 27.31 H +ATOM 3217 HG3 ARG L 211 -13.466 -31.253 -21.323 1.00 28.66 H +ATOM 3218 HG2 ARG L 211 -13.218 -31.563 -23.028 1.00 28.66 H +ATOM 3219 HD3 ARG L 211 -15.904 -31.161 -21.633 1.00 28.05 H +ATOM 3220 HD2 ARG L 211 -15.279 -32.669 -22.264 1.00 28.05 H +ATOM 3221 HE ARG L 211 -16.551 -30.528 -23.726 1.00 28.32 H +ATOM 3222 HH12 ARG L 211 -14.633 -33.490 -25.714 1.00 30.69 H +ATOM 3223 HH11 ARG L 211 -14.355 -33.278 -24.000 1.00 30.69 H +ATOM 3224 HH22 ARG L 211 -16.073 -32.099 -26.824 1.00 32.91 H +ATOM 3225 HH21 ARG L 211 -16.899 -30.820 -25.963 1.00 32.91 H +ATOM 3226 N GLY L 212 -10.574 -30.483 -23.398 1.00 38.14 N +ATOM 3227 CA GLY L 212 -9.690 -31.194 -24.321 1.00 42.86 C +ATOM 3228 C GLY L 212 -8.288 -30.606 -24.364 1.00 48.18 C +ATOM 3229 O GLY L 212 -8.072 -29.504 -24.879 1.00 49.34 O +ATOM 3230 H GLY L 212 -10.380 -30.557 -22.410 1.00 38.14 H +ATOM 3231 HA3 GLY L 212 -10.121 -31.176 -25.322 1.00 42.86 H +ATOM 3232 HA2 GLY L 212 -9.634 -32.244 -24.033 1.00 42.86 H +ATOM 3233 HXT GLY L 212 -7.474 -31.170 -23.934 1.00 48.18 H +TER 3234 GLY L 212 +ATOM 3234 N GLN H 1 4.473 -26.487 28.462 1.00 30.82 N +ATOM 3235 CA GLN H 1 3.411 -25.966 27.554 1.00 28.43 C +ATOM 3236 C GLN H 1 2.103 -26.665 27.873 1.00 26.14 C +ATOM 3237 O GLN H 1 1.942 -27.863 27.621 1.00 25.12 O +ATOM 3238 CB GLN H 1 3.801 -26.150 26.077 1.00 31.31 C +ATOM 3239 CG GLN H 1 4.675 -27.377 25.801 1.00 34.62 C +ATOM 3240 CD GLN H 1 5.866 -27.474 26.753 1.00 42.35 C +ATOM 3241 OE1 GLN H 1 6.674 -26.421 26.800 1.00 39.64 O +ATOM 3242 NE2 GLN H 1 6.045 -28.470 27.447 1.00 50.05 N +ATOM 3243 H1 GLN H 1 5.348 -26.027 28.256 1.00 30.82 H +ATOM 3244 H2 GLN H 1 4.215 -26.306 29.422 1.00 30.82 H +ATOM 3245 H3 GLN H 1 4.576 -27.482 28.324 1.00 30.82 H +ATOM 3246 HA GLN H 1 3.287 -24.900 27.746 1.00 28.43 H +ATOM 3247 HB3 GLN H 1 4.314 -25.255 25.725 1.00 31.31 H +ATOM 3248 HB2 GLN H 1 2.898 -26.206 25.469 1.00 31.31 H +ATOM 3249 HG3 GLN H 1 5.035 -27.342 24.773 1.00 34.62 H +ATOM 3250 HG2 GLN H 1 4.070 -28.279 25.885 1.00 34.62 H +ATOM 3251 HE22 GLN H 1 6.838 -28.515 28.070 1.00 50.05 H +ATOM 3252 HE21 GLN H 1 5.399 -29.245 27.395 1.00 50.05 H +ATOM 3253 N VAL H 2 1.173 -25.916 28.453 1.00 26.56 N +ATOM 3254 CA VAL H 2 -0.108 -26.496 28.839 1.00 23.25 C +ATOM 3255 C VAL H 2 -0.883 -26.793 27.573 1.00 23.02 C +ATOM 3256 O VAL H 2 -0.966 -25.938 26.686 1.00 22.91 O +ATOM 3257 CB VAL H 2 -0.915 -25.560 29.760 1.00 25.24 C +ATOM 3258 CG1 VAL H 2 -2.282 -26.175 30.083 1.00 27.27 C +ATOM 3259 CG2 VAL H 2 -0.128 -25.271 31.046 1.00 20.75 C +ATOM 3260 H VAL H 2 1.350 -24.938 28.630 1.00 26.56 H +ATOM 3261 HA VAL H 2 0.076 -27.433 29.365 1.00 23.25 H +ATOM 3262 HB VAL H 2 -1.077 -24.618 29.236 1.00 25.24 H +ATOM 3263 HG11 VAL H 2 -2.839 -25.502 30.734 1.00 27.27 H +ATOM 3264 HG12 VAL H 2 -2.839 -26.330 29.159 1.00 27.27 H +ATOM 3265 HG13 VAL H 2 -2.141 -27.132 30.586 1.00 27.27 H +ATOM 3266 HG21 VAL H 2 -0.710 -24.609 31.687 1.00 20.75 H +ATOM 3267 HG22 VAL H 2 0.067 -26.206 31.571 1.00 20.75 H +ATOM 3268 HG23 VAL H 2 0.818 -24.793 30.794 1.00 20.75 H +ATOM 3269 N GLN H 3 -1.431 -28.003 27.492 1.00 22.55 N +ATOM 3270 CA GLN H 3 -2.303 -28.386 26.385 1.00 29.16 C +ATOM 3271 C GLN H 3 -3.463 -29.277 26.845 1.00 25.05 C +ATOM 3272 O GLN H 3 -3.275 -30.214 27.637 1.00 24.54 O +ATOM 3273 CB GLN H 3 -1.487 -29.086 25.285 1.00 31.73 C +ATOM 3274 CG GLN H 3 -2.294 -29.453 24.042 1.00 40.71 C +ATOM 3275 CD GLN H 3 -1.426 -29.852 22.855 1.00 44.35 C +ATOM 3276 OE1 GLN H 3 -2.068 -30.042 21.704 1.00 46.51 O +ATOM 3277 NE2 GLN H 3 -0.200 -29.991 22.967 1.00 50.50 N +ATOM 3278 H GLN H 3 -1.248 -28.689 28.210 1.00 22.55 H +ATOM 3279 HA GLN H 3 -2.727 -27.476 25.961 1.00 29.16 H +ATOM 3280 HB3 GLN H 3 -1.025 -29.985 25.694 1.00 31.73 H +ATOM 3281 HB2 GLN H 3 -0.649 -28.451 24.997 1.00 31.73 H +ATOM 3282 HG3 GLN H 3 -2.928 -28.612 23.760 1.00 40.71 H +ATOM 3283 HG2 GLN H 3 -2.977 -30.268 24.281 1.00 40.71 H +ATOM 3284 HE22 GLN H 3 0.354 -30.256 22.165 1.00 50.50 H +ATOM 3285 HE21 GLN H 3 0.246 -29.839 23.860 1.00 50.50 H +ATOM 3286 N LEU H 4 -4.655 -28.974 26.329 1.00 22.01 N +ATOM 3287 CA LEU H 4 -5.837 -29.823 26.497 1.00 21.26 C +ATOM 3288 C LEU H 4 -6.192 -30.352 25.116 1.00 20.29 C +ATOM 3289 O LEU H 4 -6.499 -29.574 24.201 1.00 23.28 O +ATOM 3290 CB LEU H 4 -7.007 -29.023 27.089 1.00 22.24 C +ATOM 3291 CG LEU H 4 -6.769 -28.436 28.495 1.00 25.53 C +ATOM 3292 CD1 LEU H 4 -7.977 -27.617 28.936 1.00 24.75 C +ATOM 3293 CD2 LEU H 4 -6.430 -29.511 29.521 1.00 28.14 C +ATOM 3294 H LEU H 4 -4.773 -28.125 25.794 1.00 22.01 H +ATOM 3295 HA LEU H 4 -5.596 -30.657 27.156 1.00 21.26 H +ATOM 3296 HB3 LEU H 4 -7.899 -29.649 27.107 1.00 22.24 H +ATOM 3297 HB2 LEU H 4 -7.276 -28.219 26.404 1.00 22.24 H +ATOM 3298 HG LEU H 4 -5.917 -27.760 28.431 1.00 25.53 H +ATOM 3299 HD11 LEU H 4 -7.796 -27.208 29.930 1.00 24.75 H +ATOM 3300 HD12 LEU H 4 -8.140 -26.801 28.232 1.00 24.75 H +ATOM 3301 HD13 LEU H 4 -8.860 -28.256 28.961 1.00 24.75 H +ATOM 3302 HD21 LEU H 4 -6.271 -29.048 30.495 1.00 28.14 H +ATOM 3303 HD22 LEU H 4 -7.253 -30.223 29.588 1.00 28.14 H +ATOM 3304 HD23 LEU H 4 -5.523 -30.033 29.215 1.00 28.14 H +ATOM 3305 N GLN H 5 -6.088 -31.669 24.964 1.00 22.47 N +ATOM 3306 CA GLN H 5 -6.321 -32.337 23.693 1.00 22.05 C +ATOM 3307 C GLN H 5 -7.637 -33.103 23.731 1.00 22.17 C +ATOM 3308 O GLN H 5 -7.777 -34.067 24.478 1.00 23.42 O +ATOM 3309 CB GLN H 5 -5.153 -33.281 23.357 1.00 19.82 C +ATOM 3310 CG GLN H 5 -5.333 -34.086 22.058 1.00 33.44 C +ATOM 3311 CD GLN H 5 -5.342 -33.225 20.784 1.00 37.37 C +ATOM 3312 OE1 GLN H 5 -6.181 -33.605 19.829 1.00 39.22 O +ATOM 3313 NE2 GLN H 5 -4.600 -32.248 20.660 1.00 37.98 N +ATOM 3314 H GLN H 5 -5.838 -32.250 25.751 1.00 22.47 H +ATOM 3315 HA GLN H 5 -6.386 -31.579 22.913 1.00 22.05 H +ATOM 3316 HB3 GLN H 5 -4.994 -33.968 24.188 1.00 19.82 H +ATOM 3317 HB2 GLN H 5 -4.229 -32.706 23.300 1.00 19.82 H +ATOM 3318 HG3 GLN H 5 -6.258 -34.659 22.113 1.00 33.44 H +ATOM 3319 HG2 GLN H 5 -4.543 -34.833 21.984 1.00 33.44 H +ATOM 3320 HE22 GLN H 5 -4.625 -31.699 19.813 1.00 37.98 H +ATOM 3321 HE21 GLN H 5 -3.967 -31.997 21.406 1.00 37.98 H +ATOM 3322 N GLN H 6 -8.599 -32.673 22.916 1.00 19.30 N +ATOM 3323 CA GLN H 6 -9.906 -33.340 22.868 1.00 18.98 C +ATOM 3324 C GLN H 6 -9.990 -34.430 21.799 1.00 20.03 C +ATOM 3325 O GLN H 6 -9.234 -34.423 20.811 1.00 20.55 O +ATOM 3326 CB GLN H 6 -11.032 -32.301 22.686 1.00 19.86 C +ATOM 3327 CG GLN H 6 -11.092 -31.301 23.857 1.00 18.70 C +ATOM 3328 CD GLN H 6 -12.242 -30.326 23.744 1.00 20.71 C +ATOM 3329 OE1 GLN H 6 -12.045 -29.129 23.901 1.00 20.98 O +ATOM 3330 NE2 GLN H 6 -13.455 -30.836 23.497 1.00 21.67 N +ATOM 3331 H GLN H 6 -8.435 -31.876 22.318 1.00 19.30 H +ATOM 3332 HA GLN H 6 -10.061 -33.820 23.834 1.00 18.98 H +ATOM 3333 HB3 GLN H 6 -11.989 -32.815 22.599 1.00 19.86 H +ATOM 3334 HB2 GLN H 6 -10.877 -31.758 21.753 1.00 19.86 H +ATOM 3335 HG3 GLN H 6 -10.153 -30.749 23.910 1.00 18.70 H +ATOM 3336 HG2 GLN H 6 -11.172 -31.848 24.796 1.00 18.70 H +ATOM 3337 HE22 GLN H 6 -14.253 -30.223 23.413 1.00 21.67 H +ATOM 3338 HE21 GLN H 6 -13.572 -31.834 23.394 1.00 21.67 H +ATOM 3339 N SER H 7 -10.913 -35.369 22.011 1.00 19.11 N +ATOM 3340 CA SER H 7 -11.215 -36.404 21.024 1.00 19.69 C +ATOM 3341 C SER H 7 -11.897 -35.803 19.798 1.00 23.46 C +ATOM 3342 O SER H 7 -12.379 -34.663 19.841 1.00 20.34 O +ATOM 3343 CB SER H 7 -12.083 -37.498 21.651 1.00 18.84 C +ATOM 3344 OG SER H 7 -13.192 -36.922 22.319 1.00 20.09 O +ATOM 3345 H SER H 7 -11.431 -35.381 22.878 1.00 19.11 H +ATOM 3346 HA SER H 7 -10.276 -36.855 20.705 1.00 19.69 H +ATOM 3347 HB3 SER H 7 -11.488 -38.070 22.363 1.00 18.84 H +ATOM 3348 HB2 SER H 7 -12.439 -38.171 20.871 1.00 18.84 H +ATOM 3349 HG SER H 7 -13.721 -36.424 21.691 1.00 20.09 H +ATOM 3350 N GLY H 8 -11.909 -36.571 18.709 1.00 21.58 N +ATOM 3351 CA GLY H 8 -12.349 -36.087 17.407 1.00 21.68 C +ATOM 3352 C GLY H 8 -13.854 -35.923 17.275 1.00 19.87 C +ATOM 3353 O GLY H 8 -14.615 -36.281 18.194 1.00 19.93 O +ATOM 3354 H GLY H 8 -11.604 -37.532 18.766 1.00 21.58 H +ATOM 3355 HA3 GLY H 8 -11.990 -36.762 16.630 1.00 21.68 H +ATOM 3356 HA2 GLY H 8 -11.862 -35.136 17.192 1.00 21.68 H +ATOM 3357 N PRO H 9 -14.299 -35.388 16.122 1.00 16.63 N +ATOM 3358 CA PRO H 9 -15.730 -35.138 15.896 1.00 16.83 C +ATOM 3359 C PRO H 9 -16.539 -36.437 15.933 1.00 16.30 C +ATOM 3360 O PRO H 9 -15.997 -37.515 15.663 1.00 18.87 O +ATOM 3361 CB PRO H 9 -15.781 -34.540 14.488 1.00 20.09 C +ATOM 3362 CG PRO H 9 -14.483 -34.932 13.831 1.00 20.36 C +ATOM 3363 CD PRO H 9 -13.472 -34.982 14.969 1.00 19.32 C +ATOM 3364 HA PRO H 9 -16.114 -34.427 16.628 1.00 16.83 H +ATOM 3365 HB3 PRO H 9 -15.838 -33.454 14.558 1.00 20.09 H +ATOM 3366 HB2 PRO H 9 -16.613 -34.980 13.938 1.00 20.09 H +ATOM 3367 HG3 PRO H 9 -14.190 -34.159 13.121 1.00 20.36 H +ATOM 3368 HG2 PRO H 9 -14.585 -35.926 13.394 1.00 20.36 H +ATOM 3369 HD2 PRO H 9 -12.737 -35.760 14.763 1.00 19.32 H +ATOM 3370 HD3 PRO H 9 -13.078 -33.981 15.144 1.00 19.32 H +ATOM 3371 N GLU H 10 -17.822 -36.327 16.275 1.00 16.81 N +ATOM 3372 CA GLU H 10 -18.677 -37.498 16.461 1.00 18.55 C +ATOM 3373 C GLU H 10 -19.961 -37.302 15.702 1.00 16.97 C +ATOM 3374 O GLU H 10 -20.523 -36.206 15.717 1.00 21.53 O +ATOM 3375 CB GLU H 10 -19.048 -37.660 17.937 1.00 26.02 C +ATOM 3376 CG GLU H 10 -17.879 -37.755 18.907 1.00 30.05 C +ATOM 3377 CD GLU H 10 -17.479 -39.188 19.208 1.00 35.26 C +ATOM 3378 OE1 GLU H 10 -18.079 -40.116 18.622 1.00 35.81 O +ATOM 3379 OE2 GLU H 10 -16.577 -39.388 20.049 1.00 35.09 O +ATOM 3380 H GLU H 10 -18.231 -35.414 16.414 1.00 16.81 H +ATOM 3381 HA GLU H 10 -18.166 -38.393 16.105 1.00 18.55 H +ATOM 3382 HB3 GLU H 10 -19.685 -38.537 18.054 1.00 26.02 H +ATOM 3383 HB2 GLU H 10 -19.698 -36.838 18.237 1.00 26.02 H +ATOM 3384 HG3 GLU H 10 -18.138 -37.248 19.837 1.00 30.05 H +ATOM 3385 HG2 GLU H 10 -17.023 -37.219 18.497 1.00 30.05 H +ATOM 3386 N LEU H 11 -20.404 -38.361 15.035 1.00 16.41 N +ATOM 3387 CA LEU H 11 -21.758 -38.462 14.514 1.00 15.81 C +ATOM 3388 C LEU H 11 -22.477 -39.432 15.427 1.00 17.08 C +ATOM 3389 O LEU H 11 -22.022 -40.564 15.610 1.00 15.40 O +ATOM 3390 CB LEU H 11 -21.744 -39.025 13.096 1.00 14.36 C +ATOM 3391 CG LEU H 11 -23.088 -39.314 12.425 1.00 13.81 C +ATOM 3392 CD1 LEU H 11 -23.852 -38.026 12.144 1.00 14.64 C +ATOM 3393 CD2 LEU H 11 -22.866 -40.107 11.165 1.00 15.94 C +ATOM 3394 H LEU H 11 -19.791 -39.146 14.869 1.00 16.41 H +ATOM 3395 HA LEU H 11 -22.247 -37.488 14.532 1.00 15.81 H +ATOM 3396 HB3 LEU H 11 -21.134 -39.928 13.076 1.00 14.36 H +ATOM 3397 HB2 LEU H 11 -21.160 -38.365 12.455 1.00 14.36 H +ATOM 3398 HG LEU H 11 -23.684 -39.920 13.107 1.00 13.81 H +ATOM 3399 HD11 LEU H 11 -24.803 -38.264 11.667 1.00 14.64 H +ATOM 3400 HD12 LEU H 11 -24.037 -37.501 13.081 1.00 14.64 H +ATOM 3401 HD13 LEU H 11 -23.263 -37.391 11.483 1.00 14.64 H +ATOM 3402 HD21 LEU H 11 -23.825 -40.311 10.690 1.00 15.94 H +ATOM 3403 HD22 LEU H 11 -22.237 -39.536 10.482 1.00 15.94 H +ATOM 3404 HD23 LEU H 11 -22.375 -41.049 11.410 1.00 15.94 H +ATOM 3405 N VAL H 12 -23.597 -39.001 15.998 1.00 13.68 N +ATOM 3406 CA VAL H 12 -24.344 -39.873 16.892 1.00 15.48 C +ATOM 3407 C VAL H 12 -25.822 -39.820 16.583 1.00 15.91 C +ATOM 3408 O VAL H 12 -26.353 -38.763 16.255 1.00 14.10 O +ATOM 3409 CB VAL H 12 -24.071 -39.584 18.399 1.00 22.18 C +ATOM 3410 CG1 VAL H 12 -22.820 -40.326 18.849 1.00 29.71 C +ATOM 3411 CG2 VAL H 12 -23.918 -38.108 18.657 1.00 26.38 C +ATOM 3412 H VAL H 12 -23.931 -38.066 15.812 1.00 13.68 H +ATOM 3413 HA VAL H 12 -24.012 -40.893 16.696 1.00 15.48 H +ATOM 3414 HB VAL H 12 -24.918 -39.950 18.980 1.00 22.18 H +ATOM 3415 HG11 VAL H 12 -22.634 -40.120 19.903 1.00 29.71 H +ATOM 3416 HG12 VAL H 12 -22.962 -41.397 18.708 1.00 29.71 H +ATOM 3417 HG13 VAL H 12 -21.967 -39.992 18.258 1.00 29.71 H +ATOM 3418 HG21 VAL H 12 -23.729 -37.942 19.717 1.00 26.38 H +ATOM 3419 HG22 VAL H 12 -23.082 -37.722 18.074 1.00 26.38 H +ATOM 3420 HG23 VAL H 12 -24.833 -37.591 18.366 1.00 26.38 H +ATOM 3421 N ARG H 13 -26.469 -40.975 16.667 1.00 16.86 N +ATOM 3422 CA ARG H 13 -27.899 -41.075 16.414 1.00 21.50 C +ATOM 3423 C ARG H 13 -28.703 -40.445 17.557 1.00 21.10 C +ATOM 3424 O ARG H 13 -28.247 -40.446 18.699 1.00 20.01 O +ATOM 3425 CB ARG H 13 -28.286 -42.531 16.131 1.00 23.92 C +ATOM 3426 CG ARG H 13 -27.704 -42.976 14.799 1.00 27.06 C +ATOM 3427 CD ARG H 13 -27.979 -44.416 14.398 1.00 32.69 C +ATOM 3428 NE ARG H 13 -27.386 -44.647 13.077 1.00 39.46 N +ATOM 3429 CZ ARG H 13 -28.056 -44.601 11.927 1.00 46.07 C +ATOM 3430 NH1 ARG H 13 -29.368 -44.366 11.918 1.00 46.29 N +ATOM 3431 NH2 ARG H 13 -27.415 -44.811 10.779 1.00 47.01 N +ATOM 3432 H ARG H 13 -25.969 -41.817 16.912 1.00 16.86 H +ATOM 3433 HA ARG H 13 -28.111 -40.501 15.512 1.00 21.50 H +ATOM 3434 HB3 ARG H 13 -29.372 -42.619 16.100 1.00 23.92 H +ATOM 3435 HB2 ARG H 13 -27.902 -43.170 16.926 1.00 23.92 H +ATOM 3436 HG3 ARG H 13 -26.628 -42.803 14.801 1.00 27.06 H +ATOM 3437 HG2 ARG H 13 -28.057 -42.310 14.012 1.00 27.06 H +ATOM 3438 HD3 ARG H 13 -29.055 -44.579 14.346 1.00 32.69 H +ATOM 3439 HD2 ARG H 13 -27.522 -45.089 15.124 1.00 32.69 H +ATOM 3440 HE ARG H 13 -26.397 -44.853 13.077 1.00 39.46 H +ATOM 3441 HH12 ARG H 13 -29.869 -44.333 11.042 1.00 46.29 H +ATOM 3442 HH11 ARG H 13 -29.861 -44.221 12.787 1.00 46.29 H +ATOM 3443 HH22 ARG H 13 -27.920 -44.777 9.905 1.00 47.01 H +ATOM 3444 HH21 ARG H 13 -26.424 -45.004 10.782 1.00 47.01 H +ATOM 3445 N PRO H 14 -29.871 -39.855 17.237 1.00 19.47 N +ATOM 3446 CA PRO H 14 -30.752 -39.316 18.272 1.00 19.46 C +ATOM 3447 C PRO H 14 -31.115 -40.391 19.300 1.00 18.01 C +ATOM 3448 O PRO H 14 -31.369 -41.541 18.931 1.00 15.97 O +ATOM 3449 CB PRO H 14 -32.009 -38.913 17.495 1.00 23.75 C +ATOM 3450 CG PRO H 14 -31.553 -38.713 16.088 1.00 25.24 C +ATOM 3451 CD PRO H 14 -30.424 -39.671 15.880 1.00 23.02 C +ATOM 3452 HA PRO H 14 -30.300 -38.451 18.757 1.00 19.46 H +ATOM 3453 HB3 PRO H 14 -32.391 -37.971 17.889 1.00 23.75 H +ATOM 3454 HB2 PRO H 14 -32.732 -39.728 17.528 1.00 23.75 H +ATOM 3455 HG3 PRO H 14 -31.189 -37.693 15.967 1.00 25.24 H +ATOM 3456 HG2 PRO H 14 -32.367 -38.958 15.405 1.00 25.24 H +ATOM 3457 HD2 PRO H 14 -30.819 -40.621 15.520 1.00 23.02 H +ATOM 3458 HD3 PRO H 14 -29.670 -39.207 15.244 1.00 23.02 H +ATOM 3459 N GLY H 15 -31.122 -40.014 20.574 1.00 22.30 N +ATOM 3460 CA GLY H 15 -31.542 -40.917 21.655 1.00 20.56 C +ATOM 3461 C GLY H 15 -30.412 -41.718 22.271 1.00 24.93 C +ATOM 3462 O GLY H 15 -30.587 -42.351 23.318 1.00 29.48 O +ATOM 3463 H GLY H 15 -30.832 -39.080 20.826 1.00 22.30 H +ATOM 3464 HA3 GLY H 15 -32.305 -41.599 21.280 1.00 20.56 H +ATOM 3465 HA2 GLY H 15 -32.042 -40.341 22.433 1.00 20.56 H +ATOM 3466 N VAL H 16 -29.257 -41.686 21.614 1.00 20.23 N +ATOM 3467 CA VAL H 16 -28.066 -42.435 22.015 1.00 23.13 C +ATOM 3468 C VAL H 16 -27.196 -41.470 22.843 1.00 25.39 C +ATOM 3469 O VAL H 16 -27.464 -40.267 22.856 1.00 27.05 O +ATOM 3470 CB VAL H 16 -27.327 -42.983 20.741 1.00 24.41 C +ATOM 3471 CG1 VAL H 16 -26.007 -43.652 21.074 1.00 29.67 C +ATOM 3472 CG2 VAL H 16 -28.222 -43.973 19.980 1.00 25.68 C +ATOM 3473 H VAL H 16 -29.164 -41.119 20.783 1.00 20.23 H +ATOM 3474 HA VAL H 16 -28.366 -43.274 22.643 1.00 23.13 H +ATOM 3475 HB VAL H 16 -27.121 -42.140 20.082 1.00 24.41 H +ATOM 3476 HG11 VAL H 16 -25.540 -44.012 20.157 1.00 29.67 H +ATOM 3477 HG12 VAL H 16 -25.347 -42.933 21.560 1.00 29.67 H +ATOM 3478 HG13 VAL H 16 -26.184 -44.493 21.745 1.00 29.67 H +ATOM 3479 HG21 VAL H 16 -27.692 -44.341 19.101 1.00 25.68 H +ATOM 3480 HG22 VAL H 16 -28.472 -44.811 20.630 1.00 25.68 H +ATOM 3481 HG23 VAL H 16 -29.137 -43.470 19.668 1.00 25.68 H +ATOM 3482 N SER H 17 -26.194 -41.992 23.555 1.00 21.57 N +ATOM 3483 CA SER H 17 -25.251 -41.152 24.295 0.50 21.56 C +ATOM 3484 C SER H 17 -23.925 -41.016 23.551 1.00 21.19 C +ATOM 3485 O SER H 17 -23.600 -41.830 22.680 1.00 21.74 O +ATOM 3486 CB SER H 17 -25.006 -41.725 25.694 0.50 22.27 C +ATOM 3487 OG SER H 17 -26.217 -41.832 26.422 0.50 22.83 O +ATOM 3488 H SER H 17 -26.070 -42.994 23.594 1.00 21.57 H +ATOM 3489 HA SER H 17 -25.687 -40.159 24.403 1.00 21.56 H +ATOM 3490 HB3 SER H 17 -24.314 -41.079 26.234 1.00 22.27 H +ATOM 3491 HB2 SER H 17 -24.546 -42.710 25.607 1.00 22.27 H +ATOM 3492 HG SER H 17 -26.167 -42.583 27.018 1.00 22.83 H +ATOM 3493 N VAL H 18 -23.161 -39.993 23.909 1.00 22.84 N +ATOM 3494 CA VAL H 18 -21.841 -39.762 23.349 1.00 24.85 C +ATOM 3495 C VAL H 18 -20.887 -39.434 24.495 1.00 25.96 C +ATOM 3496 O VAL H 18 -21.253 -38.704 25.419 1.00 27.36 O +ATOM 3497 CB VAL H 18 -21.871 -38.605 22.310 1.00 23.42 C +ATOM 3498 CG1 VAL H 18 -22.137 -37.263 22.983 1.00 26.00 C +ATOM 3499 CG2 VAL H 18 -20.576 -38.559 21.492 1.00 29.38 C +ATOM 3500 H VAL H 18 -23.491 -39.333 24.599 1.00 22.84 H +ATOM 3501 HA VAL H 18 -21.502 -40.673 22.855 1.00 24.85 H +ATOM 3502 HB VAL H 18 -22.693 -38.799 21.620 1.00 23.42 H +ATOM 3503 HG11 VAL H 18 -22.152 -36.475 22.230 1.00 26.00 H +ATOM 3504 HG12 VAL H 18 -23.100 -37.296 23.493 1.00 26.00 H +ATOM 3505 HG13 VAL H 18 -21.350 -37.057 23.708 1.00 26.00 H +ATOM 3506 HG21 VAL H 18 -20.628 -37.740 20.775 1.00 29.38 H +ATOM 3507 HG22 VAL H 18 -19.729 -38.403 22.160 1.00 29.38 H +ATOM 3508 HG23 VAL H 18 -20.449 -39.501 20.959 1.00 29.38 H +ATOM 3509 N LYS H 19 -19.673 -39.970 24.429 1.00 24.12 N +ATOM 3510 CA LYS H 19 -18.662 -39.666 25.431 1.00 21.57 C +ATOM 3511 C LYS H 19 -17.444 -39.052 24.773 1.00 22.36 C +ATOM 3512 O LYS H 19 -16.803 -39.664 23.914 1.00 27.27 O +ATOM 3513 CB LYS H 19 -18.287 -40.922 26.217 1.00 25.82 C +ATOM 3514 CG LYS H 19 -17.522 -40.653 27.508 1.00 24.79 C +ATOM 3515 CD LYS H 19 -17.152 -41.964 28.167 1.00 24.14 C +ATOM 3516 CE LYS H 19 -16.781 -41.798 29.628 1.00 27.24 C +ATOM 3517 NZ LYS H 19 -16.712 -43.144 30.313 1.00 23.08 N +ATOM 3518 H LYS H 19 -19.439 -40.600 23.675 1.00 24.12 H +ATOM 3519 HA LYS H 19 -19.078 -38.938 26.127 1.00 21.57 H +ATOM 3520 HB3 LYS H 19 -17.700 -41.584 25.581 1.00 25.82 H +ATOM 3521 HB2 LYS H 19 -19.190 -41.489 26.444 1.00 25.82 H +ATOM 3522 HG3 LYS H 19 -18.146 -40.070 28.185 1.00 24.79 H +ATOM 3523 HG2 LYS H 19 -16.615 -40.091 27.283 1.00 24.79 H +ATOM 3524 HD3 LYS H 19 -16.318 -42.416 27.631 1.00 24.14 H +ATOM 3525 HD2 LYS H 19 -17.986 -42.660 28.082 1.00 24.14 H +ATOM 3526 HE3 LYS H 19 -17.527 -41.176 30.124 1.00 27.24 H +ATOM 3527 HE2 LYS H 19 -15.813 -41.303 29.703 1.00 27.24 H +ATOM 3528 HZ1 LYS H 19 -16.108 -43.081 31.120 1.00 23.08 H +ATOM 3529 HZ2 LYS H 19 -17.638 -43.420 30.607 1.00 23.08 H +ATOM 3530 HZ3 LYS H 19 -16.344 -43.831 29.670 1.00 23.08 H +ATOM 3531 N ILE H 20 -17.127 -37.832 25.180 1.00 19.31 N +ATOM 3532 CA ILE H 20 -16.002 -37.130 24.602 1.00 23.38 C +ATOM 3533 C ILE H 20 -14.929 -36.915 25.659 1.00 22.31 C +ATOM 3534 O ILE H 20 -15.225 -36.865 26.857 1.00 22.61 O +ATOM 3535 CB ILE H 20 -16.439 -35.842 23.863 1.00 28.11 C +ATOM 3536 CG1 ILE H 20 -17.095 -34.842 24.803 1.00 30.94 C +ATOM 3537 CG2 ILE H 20 -17.408 -36.199 22.722 1.00 30.32 C +ATOM 3538 CD1 ILE H 20 -17.719 -33.635 24.059 1.00 29.09 C +ATOM 3539 H ILE H 20 -17.673 -37.382 25.901 1.00 19.31 H +ATOM 3540 HA ILE H 20 -15.573 -37.792 23.850 1.00 23.38 H +ATOM 3541 HB ILE H 20 -15.554 -35.377 23.430 1.00 28.11 H +ATOM 3542 HG13 ILE H 20 -16.358 -34.483 25.521 1.00 30.94 H +ATOM 3543 HG12 ILE H 20 -17.866 -35.345 25.387 1.00 30.94 H +ATOM 3544 HG21 ILE H 20 -17.713 -35.289 22.205 1.00 30.32 H +ATOM 3545 HG22 ILE H 20 -16.911 -36.867 22.018 1.00 30.32 H +ATOM 3546 HG23 ILE H 20 -18.288 -36.694 23.133 1.00 30.32 H +ATOM 3547 HD11 ILE H 20 -18.172 -32.956 24.782 1.00 29.09 H +ATOM 3548 HD12 ILE H 20 -16.942 -33.109 23.504 1.00 29.09 H +ATOM 3549 HD13 ILE H 20 -18.483 -33.990 23.367 1.00 29.09 H +ATOM 3550 N SER H 21 -13.682 -36.828 25.220 1.00 21.65 N +ATOM 3551 CA SER H 21 -12.570 -36.863 26.159 1.00 21.71 C +ATOM 3552 C SER H 21 -11.689 -35.630 26.037 1.00 21.17 C +ATOM 3553 O SER H 21 -11.691 -34.929 25.006 1.00 18.75 O +ATOM 3554 CB SER H 21 -11.735 -38.144 25.987 1.00 22.34 C +ATOM 3555 OG SER H 21 -11.002 -38.147 24.768 1.00 21.72 O +ATOM 3556 H SER H 21 -13.500 -36.737 24.231 1.00 21.65 H +ATOM 3557 HA SER H 21 -12.987 -36.873 27.166 1.00 21.71 H +ATOM 3558 HB3 SER H 21 -12.393 -39.012 26.016 1.00 22.34 H +ATOM 3559 HB2 SER H 21 -11.045 -38.242 26.825 1.00 22.34 H +ATOM 3560 HG SER H 21 -10.404 -37.397 24.752 1.00 21.72 H +ATOM 3561 N CYS H 22 -10.922 -35.387 27.093 1.00 19.60 N +ATOM 3562 CA CYS H 22 -10.070 -34.211 27.154 1.00 21.65 C +ATOM 3563 C CYS H 22 -8.824 -34.579 27.944 1.00 21.45 C +ATOM 3564 O CYS H 22 -8.911 -34.792 29.158 1.00 23.98 O +ATOM 3565 CB CYS H 22 -10.820 -33.064 27.836 1.00 24.35 C +ATOM 3566 SG CYS H 22 -9.824 -31.584 28.185 1.00 26.58 S +ATOM 3567 H CYS H 22 -10.923 -36.026 27.875 1.00 19.60 H +ATOM 3568 HA CYS H 22 -9.787 -33.913 26.145 1.00 21.65 H +ATOM 3569 HB3 CYS H 22 -11.265 -33.425 28.763 1.00 24.35 H +ATOM 3570 HB2 CYS H 22 -11.680 -32.784 27.228 1.00 24.35 H +ATOM 3571 N LYS H 23 -7.681 -34.667 27.258 1.00 21.25 N +ATOM 3572 CA LYS H 23 -6.431 -35.088 27.903 1.00 22.38 C +ATOM 3573 C LYS H 23 -5.527 -33.899 28.183 1.00 20.77 C +ATOM 3574 O LYS H 23 -5.238 -33.107 27.289 1.00 23.93 O +ATOM 3575 CB LYS H 23 -5.701 -36.140 27.059 1.00 23.25 C +ATOM 3576 CG LYS H 23 -4.362 -36.601 27.637 1.00 25.06 C +ATOM 3577 CD LYS H 23 -3.658 -37.564 26.687 1.00 31.08 C +ATOM 3578 CE LYS H 23 -2.231 -37.885 27.154 1.00 39.34 C +ATOM 3579 NZ LYS H 23 -2.213 -38.737 28.368 1.00 42.25 N +ATOM 3580 H LYS H 23 -7.664 -34.442 26.274 1.00 21.25 H +ATOM 3581 HA LYS H 23 -6.686 -35.546 28.859 1.00 22.38 H +ATOM 3582 HB3 LYS H 23 -5.545 -35.751 26.053 1.00 23.25 H +ATOM 3583 HB2 LYS H 23 -6.350 -37.004 26.919 1.00 23.25 H +ATOM 3584 HG3 LYS H 23 -4.531 -37.094 28.594 1.00 25.06 H +ATOM 3585 HG2 LYS H 23 -3.725 -35.734 27.813 1.00 25.06 H +ATOM 3586 HD3 LYS H 23 -3.623 -37.128 25.689 1.00 31.08 H +ATOM 3587 HD2 LYS H 23 -4.232 -38.488 26.615 1.00 31.08 H +ATOM 3588 HE3 LYS H 23 -1.698 -36.956 27.355 1.00 39.34 H +ATOM 3589 HE2 LYS H 23 -1.691 -38.387 26.351 1.00 39.34 H +ATOM 3590 HZ1 LYS H 23 -2.893 -38.394 29.031 1.00 42.25 H +ATOM 3591 HZ2 LYS H 23 -2.440 -39.688 28.116 1.00 42.25 H +ATOM 3592 HZ3 LYS H 23 -1.294 -38.710 28.785 1.00 42.25 H +ATOM 3593 N GLY H 24 -5.110 -33.756 29.438 1.00 24.77 N +ATOM 3594 CA GLY H 24 -4.259 -32.626 29.836 1.00 23.64 C +ATOM 3595 C GLY H 24 -2.793 -32.988 29.872 1.00 26.26 C +ATOM 3596 O GLY H 24 -2.414 -34.070 30.361 1.00 26.32 O +ATOM 3597 H GLY H 24 -5.378 -34.432 30.139 1.00 24.77 H +ATOM 3598 HA3 GLY H 24 -4.568 -32.268 30.818 1.00 23.64 H +ATOM 3599 HA2 GLY H 24 -4.411 -31.797 29.145 1.00 23.64 H +ATOM 3600 N SER H 25 -1.955 -32.088 29.359 1.00 22.61 N +ATOM 3601 CA SER H 25 -0.508 -32.270 29.440 1.00 24.44 C +ATOM 3602 C SER H 25 0.182 -30.936 29.730 1.00 21.44 C +ATOM 3603 O SER H 25 -0.415 -29.869 29.565 1.00 20.82 O +ATOM 3604 CB SER H 25 0.037 -32.871 28.141 1.00 26.60 C +ATOM 3605 OG SER H 25 -0.198 -31.975 27.067 1.00 25.62 O +ATOM 3606 H SER H 25 -2.317 -31.262 28.904 1.00 22.61 H +ATOM 3607 HA SER H 25 -0.291 -32.957 30.258 1.00 24.44 H +ATOM 3608 HB3 SER H 25 -0.465 -33.818 27.940 1.00 26.60 H +ATOM 3609 HB2 SER H 25 1.109 -33.043 28.242 1.00 26.60 H +ATOM 3610 HG SER H 25 -1.142 -31.823 26.977 1.00 25.62 H +ATOM 3611 N GLY H 26 1.439 -31.007 30.164 1.00 20.69 N +ATOM 3612 CA GLY H 26 2.222 -29.797 30.433 1.00 26.06 C +ATOM 3613 C GLY H 26 1.916 -29.170 31.785 1.00 28.97 C +ATOM 3614 O GLY H 26 2.349 -28.052 32.075 1.00 26.39 O +ATOM 3615 H GLY H 26 1.871 -31.907 30.314 1.00 20.69 H +ATOM 3616 HA3 GLY H 26 2.040 -29.066 29.645 1.00 26.06 H +ATOM 3617 HA2 GLY H 26 3.285 -30.033 30.376 1.00 26.06 H +ATOM 3618 N TYR H 27 1.174 -29.901 32.612 1.00 27.31 N +ATOM 3619 CA TYR H 27 0.926 -29.522 34.006 1.00 25.83 C +ATOM 3620 C TYR H 27 0.526 -30.782 34.777 1.00 28.58 C +ATOM 3621 O TYR H 27 0.291 -31.833 34.169 1.00 27.40 O +ATOM 3622 CB TYR H 27 -0.151 -28.428 34.102 1.00 27.42 C +ATOM 3623 CG TYR H 27 -1.566 -28.870 33.789 1.00 23.46 C +ATOM 3624 CD1 TYR H 27 -2.449 -29.221 34.815 1.00 24.60 C +ATOM 3625 CD2 TYR H 27 -2.032 -28.922 32.475 1.00 23.94 C +ATOM 3626 CE1 TYR H 27 -3.761 -29.620 34.544 1.00 25.77 C +ATOM 3627 CE2 TYR H 27 -3.350 -29.312 32.194 1.00 25.99 C +ATOM 3628 CZ TYR H 27 -4.197 -29.668 33.233 1.00 25.40 C +ATOM 3629 OH TYR H 27 -5.485 -30.059 32.966 1.00 29.51 O +ATOM 3630 H TYR H 27 0.752 -30.759 32.287 1.00 27.31 H +ATOM 3631 HA TYR H 27 1.852 -29.135 34.430 1.00 25.83 H +ATOM 3632 HB3 TYR H 27 0.120 -27.598 33.449 1.00 27.42 H +ATOM 3633 HB2 TYR H 27 -0.125 -27.983 35.097 1.00 27.42 H +ATOM 3634 HD1 TYR H 27 -2.122 -29.187 35.844 1.00 24.60 H +ATOM 3635 HD2 TYR H 27 -1.375 -28.660 31.658 1.00 23.94 H +ATOM 3636 HE1 TYR H 27 -4.423 -29.887 35.355 1.00 25.77 H +ATOM 3637 HE2 TYR H 27 -3.701 -29.334 31.173 1.00 25.99 H +ATOM 3638 HH TYR H 27 -5.810 -30.606 33.685 1.00 29.51 H +ATOM 3639 N THR H 28 0.466 -30.694 36.103 1.00 27.60 N +ATOM 3640 CA THR H 28 0.030 -31.843 36.896 1.00 27.21 C +ATOM 3641 C THR H 28 -1.496 -31.952 36.809 1.00 26.91 C +ATOM 3642 O THR H 28 -2.225 -31.148 37.395 1.00 26.32 O +ATOM 3643 CB THR H 28 0.524 -31.755 38.349 1.00 28.73 C +ATOM 3644 OG1 THR H 28 1.932 -31.477 38.349 1.00 30.23 O +ATOM 3645 CG2 THR H 28 0.289 -33.082 39.086 1.00 27.01 C +ATOM 3646 H THR H 28 0.722 -29.833 36.564 1.00 27.60 H +ATOM 3647 HA THR H 28 0.457 -32.741 36.450 1.00 27.21 H +ATOM 3648 HB THR H 28 -0.005 -30.954 38.865 1.00 28.73 H +ATOM 3649 HG1 THR H 28 2.248 -31.421 39.254 1.00 30.23 H +ATOM 3650 HG21 THR H 28 0.646 -32.996 40.112 1.00 27.01 H +ATOM 3651 HG22 THR H 28 -0.776 -33.312 39.091 1.00 27.01 H +ATOM 3652 HG23 THR H 28 0.830 -33.881 38.579 1.00 27.01 H +ATOM 3653 N PHE H 29 -1.965 -32.931 36.041 1.00 32.06 N +ATOM 3654 CA PHE H 29 -3.392 -33.050 35.707 1.00 34.67 C +ATOM 3655 C PHE H 29 -4.317 -32.986 36.921 1.00 35.01 C +ATOM 3656 O PHE H 29 -5.288 -32.232 36.926 1.00 32.80 O +ATOM 3657 CB PHE H 29 -3.662 -34.338 34.924 1.00 36.46 C +ATOM 3658 CG PHE H 29 -5.128 -34.611 34.680 1.00 37.33 C +ATOM 3659 CD1 PHE H 29 -5.792 -34.012 33.617 1.00 37.19 C +ATOM 3660 CD2 PHE H 29 -5.841 -35.474 35.513 1.00 38.49 C +ATOM 3661 CE1 PHE H 29 -7.145 -34.266 33.384 1.00 37.80 C +ATOM 3662 CE2 PHE H 29 -7.196 -35.733 35.287 1.00 38.08 C +ATOM 3663 CZ PHE H 29 -7.844 -35.126 34.216 1.00 36.63 C +ATOM 3664 H PHE H 29 -1.334 -33.625 35.666 1.00 32.06 H +ATOM 3665 HA PHE H 29 -3.647 -32.213 35.057 1.00 34.67 H +ATOM 3666 HB3 PHE H 29 -3.220 -35.182 35.454 1.00 36.46 H +ATOM 3667 HB2 PHE H 29 -3.138 -34.297 33.969 1.00 36.46 H +ATOM 3668 HD1 PHE H 29 -5.261 -33.340 32.958 1.00 37.19 H +ATOM 3669 HD2 PHE H 29 -5.346 -35.952 36.346 1.00 38.49 H +ATOM 3670 HE1 PHE H 29 -7.648 -33.792 32.554 1.00 37.80 H +ATOM 3671 HE2 PHE H 29 -7.735 -36.402 35.942 1.00 38.08 H +ATOM 3672 HZ PHE H 29 -8.890 -35.324 34.032 1.00 36.63 H +ATOM 3673 N ILE H 30 -4.009 -33.790 37.936 1.00 36.34 N +ATOM 3674 CA ILE H 30 -4.857 -33.907 39.123 1.00 34.52 C +ATOM 3675 C ILE H 30 -5.061 -32.551 39.821 1.00 31.72 C +ATOM 3676 O ILE H 30 -6.070 -32.337 40.485 1.00 35.51 O +ATOM 3677 CB ILE H 30 -4.312 -34.997 40.113 1.00 31.27 C +ATOM 3678 CG1 ILE H 30 -5.417 -35.464 41.074 1.00 32.72 C +ATOM 3679 CG2 ILE H 30 -3.038 -34.510 40.844 1.00 34.44 C +ATOM 3680 CD1 ILE H 30 -5.007 -36.600 42.034 1.00 34.48 C +ATOM 3681 H ILE H 30 -3.166 -34.345 37.903 1.00 36.34 H +ATOM 3682 HA ILE H 30 -5.837 -34.243 38.784 1.00 34.52 H +ATOM 3683 HB ILE H 30 -4.025 -35.860 39.512 1.00 31.27 H +ATOM 3684 HG13 ILE H 30 -6.288 -35.776 40.498 1.00 32.72 H +ATOM 3685 HG12 ILE H 30 -5.774 -34.613 41.654 1.00 32.72 H +ATOM 3686 HG21 ILE H 30 -2.687 -35.289 41.521 1.00 34.44 H +ATOM 3687 HG22 ILE H 30 -2.261 -34.288 40.112 1.00 34.44 H +ATOM 3688 HG23 ILE H 30 -3.267 -33.610 41.414 1.00 34.44 H +ATOM 3689 HD11 ILE H 30 -5.852 -36.860 42.672 1.00 34.48 H +ATOM 3690 HD12 ILE H 30 -4.706 -37.474 41.456 1.00 34.48 H +ATOM 3691 HD13 ILE H 30 -4.173 -36.270 42.654 1.00 34.48 H +ATOM 3692 N ASP H 31 -4.114 -31.638 39.619 1.00 29.75 N +ATOM 3693 CA ASP H 31 -4.043 -30.371 40.351 1.00 34.01 C +ATOM 3694 C ASP H 31 -4.987 -29.237 39.955 1.00 31.10 C +ATOM 3695 O ASP H 31 -5.126 -28.285 40.718 1.00 31.95 O +ATOM 3696 CB ASP H 31 -2.617 -29.822 40.304 1.00 38.01 C +ATOM 3697 CG ASP H 31 -1.687 -30.520 41.271 1.00 43.98 C +ATOM 3698 OD1 ASP H 31 -2.142 -31.385 42.064 1.00 44.90 O +ATOM 3699 OD2 ASP H 31 -0.483 -30.191 41.230 1.00 46.95 O +ATOM 3700 H ASP H 31 -3.394 -31.802 38.930 1.00 29.75 H +ATOM 3701 HA ASP H 31 -4.254 -30.602 41.395 1.00 34.01 H +ATOM 3702 HB3 ASP H 31 -2.633 -28.754 40.523 1.00 38.01 H +ATOM 3703 HB2 ASP H 31 -2.225 -29.918 39.291 1.00 38.01 H +ATOM 3704 N GLU H 32 -5.593 -29.288 38.769 1.00 28.48 N +ATOM 3705 CA GLU H 32 -6.494 -28.205 38.351 1.00 24.01 C +ATOM 3706 C GLU H 32 -7.878 -28.706 37.917 1.00 23.89 C +ATOM 3707 O GLU H 32 -8.009 -29.807 37.383 1.00 22.90 O +ATOM 3708 CB GLU H 32 -5.906 -27.344 37.212 1.00 29.65 C +ATOM 3709 CG GLU H 32 -4.470 -26.830 37.399 1.00 35.58 C +ATOM 3710 CD GLU H 32 -4.278 -25.924 38.614 1.00 39.80 C +ATOM 3711 OE1 GLU H 32 -5.200 -25.149 38.980 1.00 37.47 O +ATOM 3712 OE2 GLU H 32 -3.174 -25.989 39.197 1.00 41.79 O +ATOM 3713 H GLU H 32 -5.434 -30.073 38.154 1.00 28.48 H +ATOM 3714 HA GLU H 32 -6.639 -27.552 39.211 1.00 24.01 H +ATOM 3715 HB3 GLU H 32 -6.568 -26.499 37.023 1.00 29.65 H +ATOM 3716 HB2 GLU H 32 -5.970 -27.897 36.275 1.00 29.65 H +ATOM 3717 HG3 GLU H 32 -4.156 -26.300 36.500 1.00 35.58 H +ATOM 3718 HG2 GLU H 32 -3.789 -27.678 37.470 1.00 35.58 H +ATOM 3719 N ALA H 33 -8.885 -27.858 38.126 1.00 20.10 N +ATOM 3720 CA ALA H 33 -10.261 -28.149 37.753 1.00 22.19 C +ATOM 3721 C ALA H 33 -10.429 -28.021 36.252 1.00 24.23 C +ATOM 3722 O ALA H 33 -9.756 -27.210 35.597 1.00 22.63 O +ATOM 3723 CB ALA H 33 -11.210 -27.186 38.455 1.00 23.21 C +ATOM 3724 H ALA H 33 -8.710 -26.964 38.563 1.00 20.10 H +ATOM 3725 HA ALA H 33 -10.503 -29.169 38.053 1.00 22.19 H +ATOM 3726 HB1 ALA H 33 -12.237 -27.413 38.168 1.00 23.21 H +ATOM 3727 HB2 ALA H 33 -11.103 -27.292 39.535 1.00 23.21 H +ATOM 3728 HB3 ALA H 33 -10.970 -26.163 38.165 1.00 23.21 H +ATOM 3729 N LEU H 34 -11.352 -28.805 35.714 1.00 21.63 N +ATOM 3730 CA LEU H 34 -11.603 -28.812 34.294 1.00 20.02 C +ATOM 3731 C LEU H 34 -13.089 -28.590 34.086 1.00 21.65 C +ATOM 3732 O LEU H 34 -13.933 -29.251 34.719 1.00 21.46 O +ATOM 3733 CB LEU H 34 -11.158 -30.140 33.669 1.00 24.84 C +ATOM 3734 CG LEU H 34 -9.694 -30.378 33.278 1.00 28.07 C +ATOM 3735 CD1 LEU H 34 -9.525 -31.835 32.852 1.00 31.59 C +ATOM 3736 CD2 LEU H 34 -9.204 -29.446 32.147 1.00 29.41 C +ATOM 3737 H LEU H 34 -11.900 -29.417 36.302 1.00 21.63 H +ATOM 3738 HA LEU H 34 -11.051 -27.995 33.829 1.00 20.02 H +ATOM 3739 HB3 LEU H 34 -11.792 -30.354 32.808 1.00 24.84 H +ATOM 3740 HB2 LEU H 34 -11.489 -30.958 34.308 1.00 24.84 H +ATOM 3741 HG LEU H 34 -9.073 -30.205 34.157 1.00 28.07 H +ATOM 3742 HD11 LEU H 34 -8.487 -32.014 32.572 1.00 31.59 H +ATOM 3743 HD12 LEU H 34 -9.796 -32.490 33.680 1.00 31.59 H +ATOM 3744 HD13 LEU H 34 -10.172 -32.042 31.999 1.00 31.59 H +ATOM 3745 HD21 LEU H 34 -8.161 -29.667 31.919 1.00 29.41 H +ATOM 3746 HD22 LEU H 34 -9.811 -29.605 31.256 1.00 29.41 H +ATOM 3747 HD23 LEU H 34 -9.293 -28.408 32.467 1.00 29.41 H +ATOM 3748 N HIS H 35 -13.397 -27.648 33.213 1.00 17.76 N +ATOM 3749 CA HIS H 35 -14.774 -27.235 32.957 1.00 20.76 C +ATOM 3750 C HIS H 35 -15.159 -27.631 31.545 1.00 21.08 C +ATOM 3751 O HIS H 35 -14.297 -27.823 30.684 1.00 21.78 O +ATOM 3752 CB HIS H 35 -14.911 -25.719 33.076 1.00 21.39 C +ATOM 3753 CG HIS H 35 -14.494 -25.168 34.403 1.00 22.49 C +ATOM 3754 ND1 HIS H 35 -15.376 -24.530 35.245 1.00 21.34 N +ATOM 3755 CD2 HIS H 35 -13.289 -25.132 35.020 1.00 23.84 C +ATOM 3756 CE1 HIS H 35 -14.739 -24.130 36.330 1.00 21.98 C +ATOM 3757 NE2 HIS H 35 -13.469 -24.487 36.221 1.00 23.05 N +ATOM 3758 H HIS H 35 -12.667 -27.184 32.693 1.00 17.76 H +ATOM 3759 HA HIS H 35 -15.441 -27.721 33.669 1.00 20.76 H +ATOM 3760 HB3 HIS H 35 -15.943 -25.433 32.874 1.00 21.39 H +ATOM 3761 HB2 HIS H 35 -14.330 -25.241 32.288 1.00 21.39 H +ATOM 3762 HD2 HIS H 35 -12.425 -25.569 34.542 1.00 23.84 H +ATOM 3763 HE1 HIS H 35 -15.274 -23.607 37.109 1.00 21.98 H +ATOM 3764 HE2 HIS H 35 -12.687 -24.359 36.848 1.00 23.05 H +ATOM 3765 N TRP H 36 -16.453 -27.770 31.314 1.00 19.11 N +ATOM 3766 CA TRP H 36 -16.956 -28.055 29.988 1.00 21.70 C +ATOM 3767 C TRP H 36 -17.863 -26.919 29.570 1.00 22.82 C +ATOM 3768 O TRP H 36 -18.667 -26.417 30.375 1.00 19.96 O +ATOM 3769 CB TRP H 36 -17.691 -29.403 29.963 1.00 19.39 C +ATOM 3770 CG TRP H 36 -16.756 -30.566 30.231 1.00 21.19 C +ATOM 3771 CD1 TRP H 36 -16.420 -31.098 31.443 1.00 22.06 C +ATOM 3772 CD2 TRP H 36 -16.042 -31.316 29.245 1.00 22.41 C +ATOM 3773 NE1 TRP H 36 -15.532 -32.139 31.270 1.00 19.56 N +ATOM 3774 CE2 TRP H 36 -15.291 -32.295 29.928 1.00 22.33 C +ATOM 3775 CE3 TRP H 36 -15.966 -31.254 27.838 1.00 19.86 C +ATOM 3776 CZ2 TRP H 36 -14.473 -33.214 29.258 1.00 20.64 C +ATOM 3777 CZ3 TRP H 36 -15.154 -32.178 27.173 1.00 19.96 C +ATOM 3778 CH2 TRP H 36 -14.423 -33.138 27.887 1.00 21.06 C +ATOM 3779 H TRP H 36 -17.114 -27.677 32.072 1.00 19.11 H +ATOM 3780 HA TRP H 36 -16.114 -28.103 29.297 1.00 21.70 H +ATOM 3781 HB3 TRP H 36 -18.168 -29.538 28.992 1.00 19.39 H +ATOM 3782 HB2 TRP H 36 -18.485 -29.397 30.710 1.00 19.39 H +ATOM 3783 HD1 TRP H 36 -16.844 -30.690 32.348 1.00 22.06 H +ATOM 3784 HE1 TRP H 36 -15.178 -32.639 32.073 1.00 19.56 H +ATOM 3785 HE3 TRP H 36 -16.527 -30.505 27.299 1.00 19.86 H +ATOM 3786 HZ2 TRP H 36 -13.911 -33.946 29.819 1.00 20.64 H +ATOM 3787 HZ3 TRP H 36 -15.084 -32.158 26.095 1.00 19.96 H +ATOM 3788 HH2 TRP H 36 -13.808 -33.830 27.330 1.00 21.06 H +ATOM 3789 N VAL H 37 -17.714 -26.512 28.313 1.00 22.50 N +ATOM 3790 CA VAL H 37 -18.471 -25.398 27.761 1.00 19.02 C +ATOM 3791 C VAL H 37 -19.023 -25.800 26.390 1.00 21.22 C +ATOM 3792 O VAL H 37 -18.300 -26.374 25.559 1.00 22.83 O +ATOM 3793 CB VAL H 37 -17.573 -24.127 27.609 1.00 23.81 C +ATOM 3794 CG1 VAL H 37 -18.368 -22.963 26.984 1.00 23.15 C +ATOM 3795 CG2 VAL H 37 -16.975 -23.706 28.966 1.00 23.29 C +ATOM 3796 H VAL H 37 -17.057 -26.980 27.705 1.00 22.50 H +ATOM 3797 HA VAL H 37 -19.303 -25.168 28.427 1.00 19.02 H +ATOM 3798 HB VAL H 37 -16.750 -24.373 26.938 1.00 23.81 H +ATOM 3799 HG11 VAL H 37 -17.721 -22.091 26.889 1.00 23.15 H +ATOM 3800 HG12 VAL H 37 -18.729 -23.257 25.998 1.00 23.15 H +ATOM 3801 HG13 VAL H 37 -19.217 -22.718 27.623 1.00 23.15 H +ATOM 3802 HG21 VAL H 37 -16.355 -22.820 28.831 1.00 23.29 H +ATOM 3803 HG22 VAL H 37 -17.781 -23.482 29.665 1.00 23.29 H +ATOM 3804 HG23 VAL H 37 -16.366 -24.518 29.363 1.00 23.29 H +ATOM 3805 N LYS H 38 -20.295 -25.490 26.164 1.00 21.84 N +ATOM 3806 CA LYS H 38 -20.962 -25.728 24.873 1.00 22.16 C +ATOM 3807 C LYS H 38 -20.936 -24.457 24.020 1.00 23.99 C +ATOM 3808 O LYS H 38 -21.164 -23.364 24.533 1.00 24.50 O +ATOM 3809 CB LYS H 38 -22.403 -26.179 25.131 1.00 18.75 C +ATOM 3810 CG LYS H 38 -23.268 -26.407 23.898 1.00 19.44 C +ATOM 3811 CD LYS H 38 -24.679 -26.783 24.294 1.00 20.64 C +ATOM 3812 CE LYS H 38 -25.568 -26.920 23.070 1.00 22.83 C +ATOM 3813 NZ LYS H 38 -26.953 -27.328 23.469 1.00 20.46 N +ATOM 3814 H LYS H 38 -20.850 -25.071 26.896 1.00 21.84 H +ATOM 3815 HA LYS H 38 -20.433 -26.520 24.343 1.00 22.16 H +ATOM 3816 HB3 LYS H 38 -22.893 -25.458 25.786 1.00 18.75 H +ATOM 3817 HB2 LYS H 38 -22.393 -27.086 25.736 1.00 18.75 H +ATOM 3818 HG3 LYS H 38 -22.836 -27.205 23.294 1.00 19.44 H +ATOM 3819 HG2 LYS H 38 -23.290 -25.498 23.297 1.00 19.44 H +ATOM 3820 HD3 LYS H 38 -25.087 -26.018 24.955 1.00 20.64 H +ATOM 3821 HD2 LYS H 38 -24.664 -27.727 24.839 1.00 20.64 H +ATOM 3822 HE3 LYS H 38 -25.148 -27.669 22.398 1.00 22.83 H +ATOM 3823 HE2 LYS H 38 -25.608 -25.967 22.542 1.00 22.83 H +ATOM 3824 HZ1 LYS H 38 -27.411 -27.774 22.687 1.00 20.46 H +ATOM 3825 HZ2 LYS H 38 -26.904 -27.975 24.243 1.00 20.46 H +ATOM 3826 HZ3 LYS H 38 -27.479 -26.511 23.746 1.00 20.46 H +ATOM 3827 N GLN H 39 -20.648 -24.601 22.728 1.00 23.67 N +ATOM 3828 CA GLN H 39 -20.812 -23.498 21.779 1.00 22.50 C +ATOM 3829 C GLN H 39 -21.688 -23.886 20.596 1.00 25.23 C +ATOM 3830 O GLN H 39 -21.338 -24.769 19.823 1.00 21.49 O +ATOM 3831 CB GLN H 39 -19.463 -22.981 21.261 1.00 21.15 C +ATOM 3832 CG GLN H 39 -19.605 -21.701 20.409 1.00 23.31 C +ATOM 3833 CD GLN H 39 -18.304 -20.929 20.252 1.00 25.87 C +ATOM 3834 OE1 GLN H 39 -17.251 -21.520 20.039 1.00 24.33 O +ATOM 3835 NE2 GLN H 39 -18.380 -19.596 20.342 1.00 26.12 N +ATOM 3836 H GLN H 39 -20.308 -25.487 22.382 1.00 23.67 H +ATOM 3837 HA GLN H 39 -21.304 -22.678 22.303 1.00 22.50 H +ATOM 3838 HB3 GLN H 39 -18.980 -23.759 20.669 1.00 21.15 H +ATOM 3839 HB2 GLN H 39 -18.803 -22.783 22.105 1.00 21.15 H +ATOM 3840 HG3 GLN H 39 -20.359 -21.052 20.854 1.00 23.31 H +ATOM 3841 HG2 GLN H 39 -19.991 -21.963 19.424 1.00 23.31 H +ATOM 3842 HE22 GLN H 39 -17.546 -19.035 20.245 1.00 26.12 H +ATOM 3843 HE21 GLN H 39 -19.272 -19.151 20.507 1.00 26.12 H +ATOM 3844 N SER H 40 -22.822 -23.217 20.454 1.00 28.75 N +ATOM 3845 CA SER H 40 -23.620 -23.352 19.242 1.00 36.51 C +ATOM 3846 C SER H 40 -23.301 -22.150 18.352 1.00 40.68 C +ATOM 3847 O SER H 40 -22.141 -21.798 18.194 1.00 43.50 O +ATOM 3848 CB SER H 40 -25.108 -23.457 19.579 1.00 37.59 C +ATOM 3849 OG SER H 40 -25.458 -22.574 20.628 1.00 38.73 O +ATOM 3850 H SER H 40 -23.143 -22.605 21.190 1.00 28.75 H +ATOM 3851 HA SER H 40 -23.315 -24.261 18.723 1.00 36.51 H +ATOM 3852 HB3 SER H 40 -25.342 -24.480 19.873 1.00 37.59 H +ATOM 3853 HB2 SER H 40 -25.698 -23.221 18.694 1.00 37.59 H +ATOM 3854 HG SER H 40 -26.088 -23.003 21.211 1.00 38.73 H +ATOM 3855 N HIS H 41 -24.325 -21.542 17.761 1.00 51.66 N +ATOM 3856 CA HIS H 41 -24.194 -20.231 17.129 1.00 54.04 C +ATOM 3857 C HIS H 41 -25.268 -19.280 17.678 1.00 52.88 C +ATOM 3858 O HIS H 41 -25.048 -18.069 17.766 1.00 55.37 O +ATOM 3859 CB HIS H 41 -24.275 -20.345 15.602 1.00 54.76 C +ATOM 3860 CG HIS H 41 -23.897 -19.086 14.880 1.00 59.96 C +ATOM 3861 ND1 HIS H 41 -24.803 -18.081 14.606 1.00 62.25 N +ATOM 3862 CD2 HIS H 41 -22.710 -18.669 14.375 1.00 59.63 C +ATOM 3863 CE1 HIS H 41 -24.190 -17.100 13.966 1.00 61.46 C +ATOM 3864 NE2 HIS H 41 -22.920 -17.433 13.811 1.00 60.65 N +ATOM 3865 H HIS H 41 -25.232 -21.987 17.739 1.00 51.66 H +ATOM 3866 HA HIS H 41 -23.216 -19.825 17.388 1.00 54.04 H +ATOM 3867 HB3 HIS H 41 -25.285 -20.637 15.314 1.00 54.76 H +ATOM 3868 HB2 HIS H 41 -23.635 -21.161 15.266 1.00 54.76 H +ATOM 3869 HD1 HIS H 41 -25.766 -18.177 14.894 1.00 62.25 H +ATOM 3870 HD2 HIS H 41 -21.834 -19.294 14.468 1.00 59.63 H +ATOM 3871 HE1 HIS H 41 -24.742 -16.220 13.670 1.00 61.46 H +ATOM 3872 N ALA H 42 -26.406 -19.852 18.072 1.00 51.08 N +ATOM 3873 CA ALA H 42 -27.580 -19.093 18.528 1.00 53.73 C +ATOM 3874 C ALA H 42 -27.603 -18.803 20.038 1.00 53.46 C +ATOM 3875 O ALA H 42 -28.266 -17.858 20.485 1.00 51.69 O +ATOM 3876 CB ALA H 42 -28.877 -19.805 18.101 1.00 53.61 C +ATOM 3877 H ALA H 42 -26.494 -20.858 18.067 1.00 51.08 H +ATOM 3878 HA ALA H 42 -27.559 -18.131 18.017 1.00 53.73 H +ATOM 3879 HB1 ALA H 42 -29.737 -19.231 18.446 1.00 53.61 H +ATOM 3880 HB2 ALA H 42 -28.907 -19.886 17.014 1.00 53.61 H +ATOM 3881 HB3 ALA H 42 -28.906 -20.802 18.540 1.00 53.61 H +ATOM 3882 N GLU H 43 -26.894 -19.622 20.814 1.00 52.12 N +ATOM 3883 CA GLU H 43 -26.806 -19.445 22.272 1.00 53.03 C +ATOM 3884 C GLU H 43 -25.335 -19.361 22.714 1.00 47.57 C +ATOM 3885 O GLU H 43 -24.986 -19.772 23.829 1.00 46.69 O +ATOM 3886 CB GLU H 43 -27.536 -20.604 22.975 1.00 58.43 C +ATOM 3887 CG GLU H 43 -27.830 -20.397 24.467 1.00 65.50 C +ATOM 3888 CD GLU H 43 -28.877 -19.326 24.746 1.00 69.94 C +ATOM 3889 OE1 GLU H 43 -29.777 -19.119 23.903 1.00 72.85 O +ATOM 3890 OE2 GLU H 43 -28.802 -18.695 25.821 1.00 71.55 O +ATOM 3891 H GLU H 43 -26.393 -20.397 20.405 1.00 52.12 H +ATOM 3892 HA GLU H 43 -27.302 -18.511 22.538 1.00 53.03 H +ATOM 3893 HB3 GLU H 43 -26.963 -21.522 22.845 1.00 58.43 H +ATOM 3894 HB2 GLU H 43 -28.468 -20.813 22.450 1.00 58.43 H +ATOM 3895 HG3 GLU H 43 -26.906 -20.143 24.986 1.00 65.50 H +ATOM 3896 HG2 GLU H 43 -28.153 -21.341 24.906 1.00 65.50 H +ATOM 3897 N SER H 44 -24.508 -18.750 21.857 1.00 40.80 N +ATOM 3898 CA SER H 44 -23.065 -19.051 21.739 1.00 37.61 C +ATOM 3899 C SER H 44 -22.387 -19.875 22.872 1.00 36.04 C +ATOM 3900 O SER H 44 -22.470 -21.097 22.795 1.00 41.23 O +ATOM 3901 CB SER H 44 -22.237 -17.881 21.183 1.00 40.77 C +ATOM 3902 OG SER H 44 -21.425 -18.311 20.079 1.00 37.35 O +ATOM 3903 H SER H 44 -24.861 -18.034 21.238 1.00 40.80 H +ATOM 3904 HA SER H 44 -23.048 -19.755 20.907 1.00 37.61 H +ATOM 3905 HB3 SER H 44 -21.597 -17.483 21.970 1.00 40.77 H +ATOM 3906 HB2 SER H 44 -22.907 -17.087 20.853 1.00 40.77 H +ATOM 3907 HG SER H 44 -21.988 -18.651 19.380 1.00 37.35 H +ATOM 3908 N LEU H 45 -21.768 -19.276 23.904 1.00 31.43 N +ATOM 3909 CA LEU H 45 -21.083 -20.091 24.943 1.00 22.59 C +ATOM 3910 C LEU H 45 -21.930 -20.341 26.209 1.00 29.43 C +ATOM 3911 O LEU H 45 -22.508 -19.406 26.771 1.00 25.41 O +ATOM 3912 CB LEU H 45 -19.725 -19.491 25.347 1.00 23.02 C +ATOM 3913 CG LEU H 45 -18.652 -19.313 24.268 1.00 25.18 C +ATOM 3914 CD1 LEU H 45 -17.752 -18.172 24.662 1.00 24.80 C +ATOM 3915 CD2 LEU H 45 -17.839 -20.579 24.032 1.00 26.75 C +ATOM 3916 H LEU H 45 -21.767 -18.269 23.976 1.00 31.43 H +ATOM 3917 HA LEU H 45 -20.880 -21.066 24.499 1.00 22.59 H +ATOM 3918 HB3 LEU H 45 -19.309 -20.072 26.170 1.00 23.02 H +ATOM 3919 HB2 LEU H 45 -19.892 -18.536 25.845 1.00 23.02 H +ATOM 3920 HG LEU H 45 -19.149 -19.048 23.334 1.00 25.18 H +ATOM 3921 HD11 LEU H 45 -16.983 -18.035 23.901 1.00 24.80 H +ATOM 3922 HD12 LEU H 45 -18.340 -17.259 24.752 1.00 24.80 H +ATOM 3923 HD13 LEU H 45 -17.280 -18.395 25.619 1.00 24.80 H +ATOM 3924 HD21 LEU H 45 -17.094 -20.394 23.258 1.00 26.75 H +ATOM 3925 HD22 LEU H 45 -17.338 -20.867 24.956 1.00 26.75 H +ATOM 3926 HD23 LEU H 45 -18.502 -21.383 23.713 1.00 26.75 H +ATOM 3927 N GLU H 46 -21.983 -21.599 26.653 1.00 24.66 N +ATOM 3928 CA GLU H 46 -22.742 -21.991 27.844 1.00 25.99 C +ATOM 3929 C GLU H 46 -21.907 -22.938 28.691 1.00 23.40 C +ATOM 3930 O GLU H 46 -21.367 -23.921 28.190 1.00 23.36 O +ATOM 3931 CB GLU H 46 -24.029 -22.729 27.472 1.00 27.20 C +ATOM 3932 CG GLU H 46 -25.079 -21.916 26.751 1.00 29.52 C +ATOM 3933 CD GLU H 46 -26.330 -22.748 26.502 1.00 33.79 C +ATOM 3934 OE1 GLU H 46 -26.271 -23.682 25.673 1.00 35.70 O +ATOM 3935 OE2 GLU H 46 -27.359 -22.471 27.147 1.00 36.34 O +ATOM 3936 H GLU H 46 -21.486 -22.329 26.163 1.00 24.66 H +ATOM 3937 HA GLU H 46 -22.988 -21.103 28.427 1.00 25.99 H +ATOM 3938 HB3 GLU H 46 -24.466 -23.165 28.371 1.00 27.20 H +ATOM 3939 HB2 GLU H 46 -23.780 -23.606 26.874 1.00 27.20 H +ATOM 3940 HG3 GLU H 46 -24.678 -21.569 25.799 1.00 29.52 H +ATOM 3941 HG2 GLU H 46 -25.337 -21.043 27.351 1.00 29.52 H +ATOM 3942 N TRP H 47 -21.817 -22.642 29.978 1.00 21.55 N +ATOM 3943 CA TRP H 47 -21.042 -23.460 30.903 1.00 21.58 C +ATOM 3944 C TRP H 47 -21.866 -24.674 31.304 1.00 20.92 C +ATOM 3945 O TRP H 47 -23.015 -24.542 31.745 1.00 21.53 O +ATOM 3946 CB TRP H 47 -20.676 -22.618 32.125 1.00 22.42 C +ATOM 3947 CG TRP H 47 -19.859 -23.277 33.180 1.00 20.79 C +ATOM 3948 CD1 TRP H 47 -18.496 -23.383 33.218 1.00 21.31 C +ATOM 3949 CD2 TRP H 47 -20.344 -23.867 34.395 1.00 19.26 C +ATOM 3950 NE1 TRP H 47 -18.106 -24.026 34.373 1.00 19.27 N +ATOM 3951 CE2 TRP H 47 -19.218 -24.321 35.117 1.00 19.80 C +ATOM 3952 CE3 TRP H 47 -21.629 -24.071 34.935 1.00 19.42 C +ATOM 3953 CZ2 TRP H 47 -19.326 -24.980 36.360 1.00 19.38 C +ATOM 3954 CZ3 TRP H 47 -21.735 -24.707 36.187 1.00 21.05 C +ATOM 3955 CH2 TRP H 47 -20.587 -25.159 36.875 1.00 20.69 C +ATOM 3956 H TRP H 47 -22.293 -21.830 30.344 1.00 21.55 H +ATOM 3957 HA TRP H 47 -20.129 -23.793 30.410 1.00 21.58 H +ATOM 3958 HB3 TRP H 47 -21.587 -22.221 32.573 1.00 22.42 H +ATOM 3959 HB2 TRP H 47 -20.171 -21.710 31.796 1.00 22.42 H +ATOM 3960 HD1 TRP H 47 -17.901 -22.987 32.409 1.00 21.31 H +ATOM 3961 HE1 TRP H 47 -17.127 -24.203 34.546 1.00 19.27 H +ATOM 3962 HE3 TRP H 47 -22.502 -23.742 34.391 1.00 19.42 H +ATOM 3963 HZ2 TRP H 47 -18.437 -25.322 36.869 1.00 19.38 H +ATOM 3964 HZ3 TRP H 47 -22.706 -24.856 36.636 1.00 21.05 H +ATOM 3965 HH2 TRP H 47 -20.717 -25.655 37.826 1.00 20.69 H +ATOM 3966 N ILE H 48 -21.278 -25.856 31.124 1.00 19.77 N +ATOM 3967 CA ILE H 48 -21.951 -27.124 31.422 1.00 20.19 C +ATOM 3968 C ILE H 48 -21.694 -27.565 32.861 1.00 19.05 C +ATOM 3969 O ILE H 48 -22.622 -27.924 33.593 1.00 17.64 O +ATOM 3970 CB ILE H 48 -21.499 -28.233 30.442 1.00 18.79 C +ATOM 3971 CG1 ILE H 48 -21.943 -27.909 29.017 1.00 22.69 C +ATOM 3972 CG2 ILE H 48 -22.029 -29.624 30.879 1.00 19.93 C +ATOM 3973 CD1 ILE H 48 -21.297 -28.839 27.959 1.00 20.78 C +ATOM 3974 H ILE H 48 -20.333 -25.901 30.770 1.00 19.77 H +ATOM 3975 HA ILE H 48 -23.024 -26.977 31.298 1.00 20.19 H +ATOM 3976 HB ILE H 48 -20.410 -28.269 30.455 1.00 18.79 H +ATOM 3977 HG13 ILE H 48 -21.696 -26.873 28.787 1.00 22.69 H +ATOM 3978 HG12 ILE H 48 -23.028 -27.983 28.950 1.00 22.69 H +ATOM 3979 HG21 ILE H 48 -21.694 -30.380 30.169 1.00 19.93 H +ATOM 3980 HG22 ILE H 48 -21.648 -29.863 31.872 1.00 19.93 H +ATOM 3981 HG23 ILE H 48 -23.119 -29.607 30.903 1.00 19.93 H +ATOM 3982 HD11 ILE H 48 -21.650 -28.561 26.966 1.00 20.78 H +ATOM 3983 HD12 ILE H 48 -20.212 -28.738 28.000 1.00 20.78 H +ATOM 3984 HD13 ILE H 48 -21.574 -29.873 28.166 1.00 20.78 H +ATOM 3985 N GLY H 49 -20.426 -27.545 33.266 1.00 18.56 N +ATOM 3986 CA GLY H 49 -20.092 -27.967 34.618 1.00 20.16 C +ATOM 3987 C GLY H 49 -18.601 -28.004 34.820 1.00 19.97 C +ATOM 3988 O GLY H 49 -17.836 -27.668 33.916 1.00 21.94 O +ATOM 3989 H GLY H 49 -19.699 -27.238 32.636 1.00 18.56 H +ATOM 3990 HA3 GLY H 49 -20.508 -28.958 34.802 1.00 20.16 H +ATOM 3991 HA2 GLY H 49 -20.538 -27.277 35.334 1.00 20.16 H +ATOM 3992 N VAL H 50 -18.199 -28.423 36.010 1.00 20.68 N +ATOM 3993 CA VAL H 50 -16.791 -28.510 36.371 1.00 18.31 C +ATOM 3994 C VAL H 50 -16.558 -29.795 37.147 1.00 20.89 C +ATOM 3995 O VAL H 50 -17.423 -30.241 37.914 1.00 19.71 O +ATOM 3996 CB VAL H 50 -16.323 -27.241 37.186 1.00 17.33 C +ATOM 3997 CG1 VAL H 50 -17.137 -27.052 38.476 1.00 19.77 C +ATOM 3998 CG2 VAL H 50 -14.812 -27.288 37.496 1.00 17.94 C +ATOM 3999 H VAL H 50 -18.879 -28.696 36.705 1.00 20.68 H +ATOM 4000 HA VAL H 50 -16.207 -28.558 35.452 1.00 18.31 H +ATOM 4001 HB VAL H 50 -16.500 -26.367 36.558 1.00 17.33 H +ATOM 4002 HG11 VAL H 50 -16.781 -26.168 39.005 1.00 19.77 H +ATOM 4003 HG12 VAL H 50 -18.190 -26.926 38.226 1.00 19.77 H +ATOM 4004 HG13 VAL H 50 -17.018 -27.928 39.113 1.00 19.77 H +ATOM 4005 HG21 VAL H 50 -14.528 -26.398 38.058 1.00 17.94 H +ATOM 4006 HG22 VAL H 50 -14.589 -28.176 38.087 1.00 17.94 H +ATOM 4007 HG23 VAL H 50 -14.250 -27.323 36.563 1.00 17.94 H +ATOM 4008 N ILE H 51 -15.403 -30.405 36.908 1.00 19.14 N +ATOM 4009 CA ILE H 51 -14.932 -31.518 37.724 1.00 21.36 C +ATOM 4010 C ILE H 51 -13.581 -31.150 38.338 1.00 22.11 C +ATOM 4011 O ILE H 51 -12.730 -30.538 37.687 1.00 19.67 O +ATOM 4012 CB ILE H 51 -14.865 -32.867 36.925 1.00 21.45 C +ATOM 4013 CG1 ILE H 51 -14.425 -34.018 37.836 1.00 21.48 C +ATOM 4014 CG2 ILE H 51 -13.958 -32.737 35.684 1.00 22.62 C +ATOM 4015 CD1 ILE H 51 -14.840 -35.407 37.359 1.00 24.77 C +ATOM 4016 H ILE H 51 -14.821 -30.101 36.141 1.00 19.14 H +ATOM 4017 HA ILE H 51 -15.641 -31.652 38.541 1.00 21.36 H +ATOM 4018 HB ILE H 51 -15.872 -33.092 36.574 1.00 21.45 H +ATOM 4019 HG13 ILE H 51 -14.813 -33.851 38.841 1.00 21.48 H +ATOM 4020 HG12 ILE H 51 -13.342 -33.987 37.959 1.00 21.48 H +ATOM 4021 HG21 ILE H 51 -13.932 -33.688 35.151 1.00 22.62 H +ATOM 4022 HG22 ILE H 51 -14.351 -31.963 35.025 1.00 22.62 H +ATOM 4023 HG23 ILE H 51 -12.949 -32.469 35.997 1.00 22.62 H +ATOM 4024 HD11 ILE H 51 -14.485 -36.156 38.067 1.00 24.77 H +ATOM 4025 HD12 ILE H 51 -15.927 -35.459 37.291 1.00 24.77 H +ATOM 4026 HD13 ILE H 51 -14.405 -35.600 36.378 1.00 24.77 H +ATOM 4027 N ARG H 52 -13.394 -31.542 39.592 1.00 21.98 N +ATOM 4028 CA ARG H 52 -12.159 -31.275 40.325 1.00 22.47 C +ATOM 4029 C ARG H 52 -11.464 -32.601 40.583 1.00 21.86 C +ATOM 4030 O ARG H 52 -11.846 -33.334 41.499 1.00 22.60 O +ATOM 4031 CB ARG H 52 -12.470 -30.502 41.613 1.00 22.66 C +ATOM 4032 CG ARG H 52 -13.117 -29.150 41.283 1.00 24.24 C +ATOM 4033 CD ARG H 52 -13.426 -28.251 42.482 1.00 32.08 C +ATOM 4034 NE ARG H 52 -14.435 -27.249 42.108 1.00 39.47 N +ATOM 4035 CZ ARG H 52 -14.202 -26.131 41.418 1.00 43.48 C +ATOM 4036 NH1 ARG H 52 -12.976 -25.814 41.008 1.00 50.57 N +ATOM 4037 NH2 ARG H 52 -15.204 -25.312 41.137 1.00 43.07 N +ATOM 4038 H ARG H 52 -14.122 -32.046 40.077 1.00 21.98 H +ATOM 4039 HA ARG H 52 -11.511 -30.660 39.700 1.00 22.47 H +ATOM 4040 HB3 ARG H 52 -11.547 -30.337 42.169 1.00 22.66 H +ATOM 4041 HB2 ARG H 52 -13.149 -31.088 42.233 1.00 22.66 H +ATOM 4042 HG3 ARG H 52 -14.031 -29.318 40.714 1.00 24.24 H +ATOM 4043 HG2 ARG H 52 -12.482 -28.609 40.582 1.00 24.24 H +ATOM 4044 HD3 ARG H 52 -12.514 -27.746 42.802 1.00 32.08 H +ATOM 4045 HD2 ARG H 52 -13.805 -28.859 43.303 1.00 32.08 H +ATOM 4046 HE ARG H 52 -15.371 -27.464 42.420 1.00 39.47 H +ATOM 4047 HH12 ARG H 52 -12.822 -24.963 40.487 1.00 50.57 H +ATOM 4048 HH11 ARG H 52 -12.200 -26.425 41.218 1.00 50.57 H +ATOM 4049 HH22 ARG H 52 -15.032 -24.465 40.615 1.00 43.07 H +ATOM 4050 HH21 ARG H 52 -16.140 -25.535 41.445 1.00 43.07 H +ATOM 4051 N PRO H 53 -10.464 -32.936 39.740 1.00 23.48 N +ATOM 4052 CA PRO H 53 -9.785 -34.247 39.808 1.00 24.26 C +ATOM 4053 C PRO H 53 -9.205 -34.528 41.188 1.00 24.39 C +ATOM 4054 O PRO H 53 -9.184 -35.684 41.626 1.00 22.75 O +ATOM 4055 CB PRO H 53 -8.654 -34.109 38.782 1.00 22.43 C +ATOM 4056 CG PRO H 53 -9.166 -33.094 37.803 1.00 24.19 C +ATOM 4057 CD PRO H 53 -9.907 -32.096 38.661 1.00 22.85 C +ATOM 4058 HA PRO H 53 -10.468 -35.044 39.514 1.00 24.26 H +ATOM 4059 HB3 PRO H 53 -8.511 -35.062 38.272 1.00 22.43 H +ATOM 4060 HB2 PRO H 53 -7.765 -33.717 39.276 1.00 22.43 H +ATOM 4061 HG3 PRO H 53 -9.867 -33.573 37.120 1.00 24.19 H +ATOM 4062 HG2 PRO H 53 -8.322 -32.600 37.322 1.00 24.19 H +ATOM 4063 HD2 PRO H 53 -9.195 -31.389 39.087 1.00 22.85 H +ATOM 4064 HD3 PRO H 53 -10.724 -31.663 38.084 1.00 22.85 H +ATOM 4065 N TYR H 54 -8.759 -33.477 41.877 1.00 23.05 N +ATOM 4066 CA TYR H 54 -8.115 -33.636 43.187 1.00 22.47 C +ATOM 4067 C TYR H 54 -9.065 -34.101 44.285 1.00 26.49 C +ATOM 4068 O TYR H 54 -8.641 -34.740 45.260 1.00 25.16 O +ATOM 4069 CB TYR H 54 -7.409 -32.344 43.613 1.00 22.32 C +ATOM 4070 CG TYR H 54 -8.210 -31.071 43.435 1.00 21.82 C +ATOM 4071 CD1 TYR H 54 -9.009 -30.568 44.469 1.00 19.36 C +ATOM 4072 CD2 TYR H 54 -8.145 -30.351 42.238 1.00 18.74 C +ATOM 4073 CE1 TYR H 54 -9.740 -29.391 44.300 1.00 21.70 C +ATOM 4074 CE2 TYR H 54 -8.875 -29.171 42.055 1.00 22.90 C +ATOM 4075 CZ TYR H 54 -9.657 -28.692 43.095 1.00 24.81 C +ATOM 4076 OH TYR H 54 -10.350 -27.519 42.923 1.00 25.20 O +ATOM 4077 H TYR H 54 -8.861 -32.546 41.500 1.00 23.05 H +ATOM 4078 HA TYR H 54 -7.348 -34.402 43.078 1.00 22.47 H +ATOM 4079 HB3 TYR H 54 -6.466 -32.254 43.074 1.00 22.32 H +ATOM 4080 HB2 TYR H 54 -7.097 -32.431 44.654 1.00 22.32 H +ATOM 4081 HD1 TYR H 54 -9.065 -31.092 45.412 1.00 19.36 H +ATOM 4082 HD2 TYR H 54 -7.521 -30.703 41.429 1.00 18.74 H +ATOM 4083 HE1 TYR H 54 -10.366 -29.025 45.100 1.00 21.70 H +ATOM 4084 HE2 TYR H 54 -8.825 -28.646 41.113 1.00 22.90 H +ATOM 4085 HH TYR H 54 -10.808 -27.295 43.737 1.00 25.20 H +ATOM 4086 N SER H 55 -10.345 -33.781 44.134 1.00 25.11 N +ATOM 4087 CA SER H 55 -11.346 -34.136 45.147 1.00 28.42 C +ATOM 4088 C SER H 55 -12.418 -35.096 44.613 1.00 30.01 C +ATOM 4089 O SER H 55 -13.117 -35.760 45.393 1.00 30.35 O +ATOM 4090 CB SER H 55 -11.999 -32.871 45.712 1.00 26.92 C +ATOM 4091 OG SER H 55 -12.731 -32.200 44.706 1.00 26.68 O +ATOM 4092 H SER H 55 -10.647 -33.283 43.309 1.00 25.11 H +ATOM 4093 HA SER H 55 -10.828 -34.637 45.965 1.00 28.42 H +ATOM 4094 HB3 SER H 55 -11.227 -32.208 46.103 1.00 26.92 H +ATOM 4095 HB2 SER H 55 -12.668 -33.142 46.529 1.00 26.92 H +ATOM 4096 HG SER H 55 -12.740 -31.258 44.891 1.00 26.68 H +ATOM 4097 N GLY H 55A -12.535 -35.176 43.291 1.00 27.42 N +ATOM 4098 CA GLY H 55A -13.581 -35.976 42.641 1.00 30.56 C +ATOM 4099 C GLY H 55A -14.928 -35.268 42.571 1.00 27.60 C +ATOM 4100 O GLY H 55A -15.899 -35.825 42.069 1.00 29.81 O +ATOM 4101 H GLY H 55A -11.891 -34.676 42.696 1.00 27.42 H +ATOM 4102 HA3 GLY H 55A -13.696 -36.921 43.172 1.00 30.56 H +ATOM 4103 HA2 GLY H 55A -13.260 -36.242 41.634 1.00 30.56 H +ATOM 4104 N GLU H 56 -14.977 -34.039 43.076 1.00 23.50 N +ATOM 4105 CA GLU H 56 -16.195 -33.234 43.128 1.00 24.84 C +ATOM 4106 C GLU H 56 -16.643 -32.759 41.746 1.00 24.37 C +ATOM 4107 O GLU H 56 -15.823 -32.327 40.934 1.00 22.41 O +ATOM 4108 CB GLU H 56 -15.962 -32.021 44.033 1.00 31.13 C +ATOM 4109 CG GLU H 56 -17.225 -31.307 44.485 1.00 42.83 C +ATOM 4110 CD GLU H 56 -16.995 -29.843 44.828 1.00 50.27 C +ATOM 4111 OE1 GLU H 56 -15.879 -29.490 45.274 1.00 56.53 O +ATOM 4112 OE2 GLU H 56 -17.941 -29.039 44.663 1.00 52.31 O +ATOM 4113 H GLU H 56 -14.141 -33.614 43.451 1.00 23.50 H +ATOM 4114 HA GLU H 56 -16.991 -33.840 43.560 1.00 24.84 H +ATOM 4115 HB3 GLU H 56 -15.309 -31.312 43.524 1.00 31.13 H +ATOM 4116 HB2 GLU H 56 -15.389 -32.328 44.908 1.00 31.13 H +ATOM 4117 HG3 GLU H 56 -17.641 -31.821 45.352 1.00 42.83 H +ATOM 4118 HG2 GLU H 56 -17.982 -31.381 43.704 1.00 42.83 H +ATOM 4119 N THR H 57 -17.952 -32.818 41.502 1.00 23.03 N +ATOM 4120 CA THR H 57 -18.548 -32.258 40.289 1.00 25.45 C +ATOM 4121 C THR H 57 -19.632 -31.227 40.642 1.00 27.59 C +ATOM 4122 O THR H 57 -20.324 -31.367 41.654 1.00 25.63 O +ATOM 4123 CB THR H 57 -19.164 -33.367 39.394 1.00 26.00 C +ATOM 4124 OG1 THR H 57 -19.995 -34.225 40.189 1.00 26.50 O +ATOM 4125 CG2 THR H 57 -18.083 -34.209 38.754 1.00 25.11 C +ATOM 4126 H THR H 57 -18.570 -33.261 42.167 1.00 23.03 H +ATOM 4127 HA THR H 57 -17.765 -31.754 39.722 1.00 25.45 H +ATOM 4128 HB THR H 57 -19.768 -32.904 38.614 1.00 26.00 H +ATOM 4129 HG1 THR H 57 -20.700 -33.709 40.587 1.00 26.50 H +ATOM 4130 HG21 THR H 57 -18.541 -34.978 38.132 1.00 25.11 H +ATOM 4131 HG22 THR H 57 -17.446 -33.576 38.137 1.00 25.11 H +ATOM 4132 HG23 THR H 57 -17.482 -34.681 39.531 1.00 25.11 H +ATOM 4133 N ASN H 58 -19.750 -30.193 39.812 1.00 26.25 N +ATOM 4134 CA ASN H 58 -20.849 -29.228 39.870 1.00 26.35 C +ATOM 4135 C ASN H 58 -21.393 -29.034 38.462 1.00 24.01 C +ATOM 4136 O ASN H 58 -20.629 -28.726 37.543 1.00 19.45 O +ATOM 4137 CB ASN H 58 -20.380 -27.878 40.423 1.00 31.17 C +ATOM 4138 CG ASN H 58 -19.991 -27.942 41.883 1.00 41.93 C +ATOM 4139 OD1 ASN H 58 -20.814 -28.250 42.751 1.00 47.96 O +ATOM 4140 ND2 ASN H 58 -18.735 -27.633 42.168 1.00 44.51 N +ATOM 4141 H ASN H 58 -19.058 -30.041 39.093 1.00 26.25 H +ATOM 4142 HA ASN H 58 -21.639 -29.622 40.509 1.00 26.35 H +ATOM 4143 HB3 ASN H 58 -21.170 -27.138 40.291 1.00 31.17 H +ATOM 4144 HB2 ASN H 58 -19.532 -27.522 39.838 1.00 31.17 H +ATOM 4145 HD22 ASN H 58 -18.414 -27.657 43.125 1.00 44.51 H +ATOM 4146 HD21 ASN H 58 -18.098 -27.373 41.428 1.00 44.51 H +ATOM 4147 N TYR H 59 -22.699 -29.232 38.297 1.00 19.41 N +ATOM 4148 CA TYR H 59 -23.373 -29.107 37.000 1.00 21.19 C +ATOM 4149 C TYR H 59 -24.267 -27.878 36.919 1.00 22.32 C +ATOM 4150 O TYR H 59 -24.961 -27.541 37.881 1.00 22.43 O +ATOM 4151 CB TYR H 59 -24.258 -30.331 36.716 1.00 23.44 C +ATOM 4152 CG TYR H 59 -23.515 -31.639 36.599 1.00 23.53 C +ATOM 4153 CD1 TYR H 59 -23.188 -32.371 37.731 1.00 24.37 C +ATOM 4154 CD2 TYR H 59 -23.169 -32.158 35.353 1.00 24.81 C +ATOM 4155 CE1 TYR H 59 -22.511 -33.577 37.633 1.00 25.11 C +ATOM 4156 CE2 TYR H 59 -22.491 -33.376 35.245 1.00 24.43 C +ATOM 4157 CZ TYR H 59 -22.163 -34.074 36.395 1.00 24.63 C +ATOM 4158 OH TYR H 59 -21.491 -35.283 36.329 1.00 25.63 O +ATOM 4159 H TYR H 59 -23.276 -29.481 39.088 1.00 19.41 H +ATOM 4160 HA TYR H 59 -22.615 -29.038 36.220 1.00 21.19 H +ATOM 4161 HB3 TYR H 59 -24.830 -30.159 35.805 1.00 23.44 H +ATOM 4162 HB2 TYR H 59 -25.017 -30.416 37.494 1.00 23.44 H +ATOM 4163 HD1 TYR H 59 -23.461 -32.004 38.709 1.00 24.37 H +ATOM 4164 HD2 TYR H 59 -23.424 -31.618 34.453 1.00 24.81 H +ATOM 4165 HE1 TYR H 59 -22.256 -34.127 38.527 1.00 25.11 H +ATOM 4166 HE2 TYR H 59 -22.228 -33.763 34.272 1.00 24.43 H +ATOM 4167 HH TYR H 59 -21.356 -35.623 37.216 1.00 25.63 H +ATOM 4168 N ASN H 60 -24.272 -27.231 35.752 1.00 23.05 N +ATOM 4169 CA ASN H 60 -25.318 -26.269 35.393 1.00 19.64 C +ATOM 4170 C ASN H 60 -26.639 -27.027 35.456 1.00 24.39 C +ATOM 4171 O ASN H 60 -26.752 -28.110 34.866 1.00 22.78 O +ATOM 4172 CB ASN H 60 -25.077 -25.754 33.962 1.00 20.84 C +ATOM 4173 CG ASN H 60 -25.957 -24.564 33.584 1.00 22.16 C +ATOM 4174 OD1 ASN H 60 -27.087 -24.413 34.064 1.00 24.02 O +ATOM 4175 ND2 ASN H 60 -25.437 -23.707 32.705 1.00 19.32 N +ATOM 4176 H ASN H 60 -23.537 -27.397 35.079 1.00 23.05 H +ATOM 4177 HA ASN H 60 -25.325 -25.438 36.098 1.00 19.64 H +ATOM 4178 HB3 ASN H 60 -25.242 -26.565 33.253 1.00 20.84 H +ATOM 4179 HB2 ASN H 60 -24.028 -25.479 33.848 1.00 20.84 H +ATOM 4180 HD22 ASN H 60 -25.968 -22.899 32.413 1.00 19.32 H +ATOM 4181 HD21 ASN H 60 -24.512 -23.866 32.331 1.00 19.32 H +ATOM 4182 N GLN H 61 -27.622 -26.492 36.184 1.00 24.25 N +ATOM 4183 CA GLN H 61 -28.944 -27.127 36.250 1.00 29.89 C +ATOM 4184 C GLN H 61 -29.501 -27.424 34.848 1.00 27.03 C +ATOM 4185 O GLN H 61 -30.145 -28.453 34.651 1.00 27.38 O +ATOM 4186 CB GLN H 61 -29.933 -26.296 37.088 1.00 32.77 C +ATOM 4187 CG GLN H 61 -31.330 -26.930 37.223 1.00 40.94 C +ATOM 4188 CD GLN H 61 -32.182 -26.312 38.332 1.00 44.92 C +ATOM 4189 OE1 GLN H 61 -31.661 -25.698 39.271 1.00 53.17 O +ATOM 4190 NE2 GLN H 61 -33.500 -26.489 38.232 1.00 48.68 N +ATOM 4191 H GLN H 61 -27.462 -25.638 36.699 1.00 24.25 H +ATOM 4192 HA GLN H 61 -28.817 -28.084 36.756 1.00 29.89 H +ATOM 4193 HB3 GLN H 61 -30.028 -25.301 36.653 1.00 32.77 H +ATOM 4194 HB2 GLN H 61 -29.514 -26.129 38.081 1.00 32.77 H +ATOM 4195 HG3 GLN H 61 -31.226 -28.000 37.401 1.00 40.94 H +ATOM 4196 HG2 GLN H 61 -31.858 -26.847 36.273 1.00 40.94 H +ATOM 4197 HE22 GLN H 61 -34.116 -26.104 38.934 1.00 48.68 H +ATOM 4198 HE21 GLN H 61 -33.882 -27.008 37.454 1.00 48.68 H +ATOM 4199 N LYS H 62 -29.233 -26.544 33.878 1.00 27.34 N +ATOM 4200 CA LYS H 62 -29.700 -26.746 32.487 1.00 29.52 C +ATOM 4201 C LYS H 62 -29.198 -28.074 31.872 1.00 28.03 C +ATOM 4202 O LYS H 62 -29.851 -28.639 30.990 1.00 29.83 O +ATOM 4203 CB LYS H 62 -29.325 -25.547 31.592 1.00 29.16 C +ATOM 4204 CG LYS H 62 -29.781 -25.674 30.131 1.00 31.98 C +ATOM 4205 CD LYS H 62 -29.139 -24.655 29.190 1.00 34.27 C +ATOM 4206 CE LYS H 62 -29.557 -24.916 27.741 1.00 32.48 C +ATOM 4207 NZ LYS H 62 -29.533 -23.681 26.895 1.00 32.71 N +ATOM 4208 H LYS H 62 -28.698 -25.713 34.084 1.00 27.34 H +ATOM 4209 HA LYS H 62 -30.788 -26.797 32.517 1.00 29.52 H +ATOM 4210 HB3 LYS H 62 -28.246 -25.398 31.622 1.00 29.16 H +ATOM 4211 HB2 LYS H 62 -29.737 -24.634 32.021 1.00 29.16 H +ATOM 4212 HG3 LYS H 62 -30.866 -25.579 30.081 1.00 31.98 H +ATOM 4213 HG2 LYS H 62 -29.569 -26.681 29.772 1.00 31.98 H +ATOM 4214 HD3 LYS H 62 -28.054 -24.719 29.272 1.00 34.27 H +ATOM 4215 HD2 LYS H 62 -29.445 -23.650 29.480 1.00 34.27 H +ATOM 4216 HE3 LYS H 62 -30.558 -25.347 27.725 1.00 32.48 H +ATOM 4217 HE2 LYS H 62 -28.899 -25.667 27.304 1.00 32.48 H +ATOM 4218 HZ1 LYS H 62 -28.598 -23.300 26.881 1.00 32.71 H +ATOM 4219 HZ2 LYS H 62 -29.816 -23.912 25.953 1.00 32.71 H +ATOM 4220 HZ3 LYS H 62 -30.169 -22.997 27.279 1.00 32.71 H +ATOM 4221 N PHE H 63 -28.057 -28.565 32.363 1.00 24.77 N +ATOM 4222 CA PHE H 63 -27.409 -29.781 31.847 1.00 25.18 C +ATOM 4223 C PHE H 63 -27.432 -30.969 32.828 1.00 27.65 C +ATOM 4224 O PHE H 63 -26.918 -32.043 32.518 1.00 29.98 O +ATOM 4225 CB PHE H 63 -25.963 -29.461 31.427 1.00 21.83 C +ATOM 4226 CG PHE H 63 -25.883 -28.506 30.274 1.00 25.28 C +ATOM 4227 CD1 PHE H 63 -26.013 -28.970 28.966 1.00 26.65 C +ATOM 4228 CD2 PHE H 63 -25.749 -27.139 30.489 1.00 23.14 C +ATOM 4229 CE1 PHE H 63 -25.992 -28.095 27.896 1.00 24.62 C +ATOM 4230 CE2 PHE H 63 -25.707 -26.248 29.411 1.00 25.03 C +ATOM 4231 CZ PHE H 63 -25.823 -26.730 28.118 1.00 27.25 C +ATOM 4232 H PHE H 63 -27.594 -28.097 33.129 1.00 24.77 H +ATOM 4233 HA PHE H 63 -27.950 -30.086 30.951 1.00 25.18 H +ATOM 4234 HB3 PHE H 63 -25.448 -30.386 31.167 1.00 21.83 H +ATOM 4235 HB2 PHE H 63 -25.422 -29.047 32.278 1.00 21.83 H +ATOM 4236 HD1 PHE H 63 -26.132 -30.027 28.777 1.00 26.65 H +ATOM 4237 HD2 PHE H 63 -25.676 -26.755 31.496 1.00 23.14 H +ATOM 4238 HE1 PHE H 63 -26.107 -28.470 26.890 1.00 24.62 H +ATOM 4239 HE2 PHE H 63 -25.585 -25.190 29.589 1.00 25.03 H +ATOM 4240 HZ PHE H 63 -25.782 -26.048 27.282 1.00 27.25 H +ATOM 4241 N LYS H 64 -28.040 -30.777 33.995 1.00 29.38 N +ATOM 4242 CA LYS H 64 -28.037 -31.797 35.050 1.00 32.90 C +ATOM 4243 C LYS H 64 -28.569 -33.162 34.586 1.00 34.24 C +ATOM 4244 O LYS H 64 -27.997 -34.199 34.932 1.00 34.45 O +ATOM 4245 CB LYS H 64 -28.811 -31.318 36.281 1.00 37.03 C +ATOM 4246 CG LYS H 64 -28.350 -31.993 37.559 1.00 42.90 C +ATOM 4247 CD LYS H 64 -29.408 -31.934 38.645 1.00 48.70 C +ATOM 4248 CE LYS H 64 -28.884 -32.538 39.939 1.00 49.90 C +ATOM 4249 NZ LYS H 64 -29.888 -32.452 41.036 1.00 52.84 N +ATOM 4250 H LYS H 64 -28.523 -29.908 34.176 1.00 29.38 H +ATOM 4251 HA LYS H 64 -27.001 -31.942 35.356 1.00 32.90 H +ATOM 4252 HB3 LYS H 64 -29.875 -31.506 36.136 1.00 37.03 H +ATOM 4253 HB2 LYS H 64 -28.700 -30.238 36.381 1.00 37.03 H +ATOM 4254 HG3 LYS H 64 -27.438 -31.512 37.914 1.00 42.90 H +ATOM 4255 HG2 LYS H 64 -28.102 -33.034 37.350 1.00 42.90 H +ATOM 4256 HD3 LYS H 64 -30.292 -32.482 38.320 1.00 48.70 H +ATOM 4257 HD2 LYS H 64 -29.693 -30.896 38.818 1.00 48.70 H +ATOM 4258 HE3 LYS H 64 -27.974 -32.019 40.239 1.00 49.90 H +ATOM 4259 HE2 LYS H 64 -28.619 -33.582 39.771 1.00 49.90 H +ATOM 4260 HZ1 LYS H 64 -30.324 -31.541 41.023 1.00 52.84 H +ATOM 4261 HZ2 LYS H 64 -30.592 -33.164 40.905 1.00 52.84 H +ATOM 4262 HZ3 LYS H 64 -29.429 -32.592 41.925 1.00 52.84 H +ATOM 4263 N ASP H 65 -29.645 -33.158 33.799 1.00 31.65 N +ATOM 4264 CA ASP H 65 -30.240 -34.404 33.295 1.00 36.01 C +ATOM 4265 C ASP H 65 -29.477 -34.997 32.101 1.00 33.60 C +ATOM 4266 O ASP H 65 -29.602 -36.182 31.796 1.00 35.92 O +ATOM 4267 CB ASP H 65 -31.705 -34.173 32.907 1.00 40.88 C +ATOM 4268 CG ASP H 65 -32.582 -33.791 34.098 1.00 46.39 C +ATOM 4269 OD1 ASP H 65 -32.239 -34.136 35.254 1.00 45.22 O +ATOM 4270 OD2 ASP H 65 -33.628 -33.144 33.865 1.00 49.55 O +ATOM 4271 H ASP H 65 -30.073 -32.283 33.534 1.00 31.65 H +ATOM 4272 HA ASP H 65 -30.219 -35.136 34.103 1.00 36.01 H +ATOM 4273 HB3 ASP H 65 -32.102 -35.074 32.439 1.00 40.88 H +ATOM 4274 HB2 ASP H 65 -31.760 -33.390 32.151 1.00 40.88 H +ATOM 4275 N LYS H 66 -28.678 -34.160 31.454 1.00 28.14 N +ATOM 4276 CA LYS H 66 -28.049 -34.470 30.177 1.00 29.82 C +ATOM 4277 C LYS H 66 -26.600 -34.970 30.337 1.00 31.19 C +ATOM 4278 O LYS H 66 -26.207 -35.949 29.699 1.00 31.70 O +ATOM 4279 CB LYS H 66 -28.115 -33.207 29.297 1.00 31.32 C +ATOM 4280 CG LYS H 66 -27.356 -33.231 27.957 1.00 33.31 C +ATOM 4281 CD LYS H 66 -28.059 -34.068 26.894 1.00 31.93 C +ATOM 4282 CE LYS H 66 -29.463 -33.570 26.609 1.00 32.24 C +ATOM 4283 NZ LYS H 66 -30.165 -34.484 25.675 1.00 29.98 N +ATOM 4284 H LYS H 66 -28.477 -33.251 31.844 1.00 28.14 H +ATOM 4285 HA LYS H 66 -28.629 -35.255 29.692 1.00 29.82 H +ATOM 4286 HB3 LYS H 66 -27.785 -32.347 29.880 1.00 31.32 H +ATOM 4287 HB2 LYS H 66 -29.159 -32.954 29.112 1.00 31.32 H +ATOM 4288 HG3 LYS H 66 -26.350 -33.620 28.117 1.00 33.31 H +ATOM 4289 HG2 LYS H 66 -27.233 -32.211 27.592 1.00 33.31 H +ATOM 4290 HD3 LYS H 66 -28.102 -35.107 27.221 1.00 31.93 H +ATOM 4291 HD2 LYS H 66 -27.475 -34.051 25.974 1.00 31.93 H +ATOM 4292 HE3 LYS H 66 -29.413 -32.573 26.172 1.00 32.24 H +ATOM 4293 HE2 LYS H 66 -30.022 -33.506 27.543 1.00 32.24 H +ATOM 4294 HZ1 LYS H 66 -29.915 -34.252 24.724 1.00 29.98 H +ATOM 4295 HZ2 LYS H 66 -29.896 -35.438 25.870 1.00 29.98 H +ATOM 4296 HZ3 LYS H 66 -31.163 -34.386 25.794 1.00 29.98 H +ATOM 4297 N ALA H 67 -25.829 -34.312 31.206 1.00 23.17 N +ATOM 4298 CA ALA H 67 -24.369 -34.481 31.249 1.00 23.00 C +ATOM 4299 C ALA H 67 -23.873 -35.301 32.432 1.00 20.26 C +ATOM 4300 O ALA H 67 -24.458 -35.258 33.511 1.00 24.86 O +ATOM 4301 CB ALA H 67 -23.676 -33.105 31.233 1.00 20.26 C +ATOM 4302 H ALA H 67 -26.245 -33.671 31.866 1.00 23.17 H +ATOM 4303 HA ALA H 67 -24.074 -35.006 30.341 1.00 23.00 H +ATOM 4304 HB1 ALA H 67 -22.595 -33.242 31.265 1.00 20.26 H +ATOM 4305 HB2 ALA H 67 -23.947 -32.572 30.322 1.00 20.26 H +ATOM 4306 HB3 ALA H 67 -23.995 -32.527 32.101 1.00 20.26 H +ATOM 4307 N THR H 68 -22.787 -36.044 32.212 1.00 21.96 N +ATOM 4308 CA THR H 68 -22.032 -36.700 33.293 1.00 20.63 C +ATOM 4309 C THR H 68 -20.542 -36.468 33.092 1.00 20.35 C +ATOM 4310 O THR H 68 -19.996 -36.759 32.028 1.00 18.44 O +ATOM 4311 CB THR H 68 -22.294 -38.213 33.352 1.00 22.96 C +ATOM 4312 OG1 THR H 68 -23.702 -38.451 33.487 1.00 21.26 O +ATOM 4313 CG2 THR H 68 -21.531 -38.860 34.532 1.00 23.34 C +ATOM 4314 H THR H 68 -22.448 -36.177 31.270 1.00 21.96 H +ATOM 4315 HA THR H 68 -22.329 -36.257 34.244 1.00 20.63 H +ATOM 4316 HB THR H 68 -21.950 -38.665 32.422 1.00 22.96 H +ATOM 4317 HG1 THR H 68 -24.164 -38.076 32.734 1.00 21.26 H +ATOM 4318 HG21 THR H 68 -21.733 -39.931 34.552 1.00 23.34 H +ATOM 4319 HG22 THR H 68 -20.461 -38.695 34.408 1.00 23.34 H +ATOM 4320 HG23 THR H 68 -21.861 -38.411 35.469 1.00 23.34 H +ATOM 4321 N MET H 69 -19.899 -35.926 34.120 1.00 18.67 N +ATOM 4322 CA MET H 69 -18.467 -35.657 34.082 1.00 21.21 C +ATOM 4323 C MET H 69 -17.716 -36.683 34.918 1.00 18.57 C +ATOM 4324 O MET H 69 -18.094 -36.964 36.069 1.00 19.54 O +ATOM 4325 CB MET H 69 -18.171 -34.246 34.597 1.00 20.99 C +ATOM 4326 CG MET H 69 -18.633 -33.112 33.679 1.00 20.25 C +ATOM 4327 SD MET H 69 -18.430 -31.479 34.438 1.00 22.40 S +ATOM 4328 CE MET H 69 -19.416 -31.695 35.918 1.00 18.82 C +ATOM 4329 H MET H 69 -20.403 -35.687 34.962 1.00 18.67 H +ATOM 4330 HA MET H 69 -18.125 -35.731 33.050 1.00 21.21 H +ATOM 4331 HB3 MET H 69 -17.101 -34.147 34.782 1.00 20.99 H +ATOM 4332 HB2 MET H 69 -18.622 -34.119 35.581 1.00 20.99 H +ATOM 4333 HG3 MET H 69 -19.680 -33.262 33.417 1.00 20.25 H +ATOM 4334 HG2 MET H 69 -18.072 -33.150 32.745 1.00 20.25 H +ATOM 4335 HE1 MET H 69 -19.398 -30.776 36.504 1.00 18.82 H +ATOM 4336 HE2 MET H 69 -20.444 -31.928 35.640 1.00 18.82 H +ATOM 4337 HE3 MET H 69 -19.007 -32.512 36.512 1.00 18.82 H +ATOM 4338 N THR H 70 -16.658 -37.250 34.336 1.00 22.08 N +ATOM 4339 CA THR H 70 -15.763 -38.165 35.050 1.00 20.78 C +ATOM 4340 C THR H 70 -14.294 -37.840 34.730 1.00 20.74 C +ATOM 4341 O THR H 70 -14.013 -37.077 33.808 1.00 22.20 O +ATOM 4342 CB THR H 70 -16.057 -39.651 34.703 1.00 22.43 C +ATOM 4343 OG1 THR H 70 -15.915 -39.861 33.293 1.00 26.16 O +ATOM 4344 CG2 THR H 70 -17.471 -40.058 35.153 1.00 22.34 C +ATOM 4345 H THR H 70 -16.449 -37.054 33.368 1.00 22.08 H +ATOM 4346 HA THR H 70 -15.918 -38.028 36.120 1.00 20.78 H +ATOM 4347 HB THR H 70 -15.333 -40.279 35.222 1.00 22.43 H +ATOM 4348 HG1 THR H 70 -15.019 -39.645 33.026 1.00 26.16 H +ATOM 4349 HG21 THR H 70 -17.648 -41.103 34.897 1.00 22.34 H +ATOM 4350 HG22 THR H 70 -17.561 -39.929 36.232 1.00 22.34 H +ATOM 4351 HG23 THR H 70 -18.207 -39.431 34.650 1.00 22.34 H +ATOM 4352 N VAL H 71 -13.362 -38.399 35.500 1.00 24.74 N +ATOM 4353 CA VAL H 71 -11.929 -38.322 35.165 1.00 23.28 C +ATOM 4354 C VAL H 71 -11.256 -39.691 35.313 1.00 23.40 C +ATOM 4355 O VAL H 71 -11.698 -40.539 36.096 1.00 24.51 O +ATOM 4356 CB VAL H 71 -11.125 -37.283 36.031 1.00 25.17 C +ATOM 4357 CG1 VAL H 71 -11.440 -35.863 35.640 1.00 29.67 C +ATOM 4358 CG2 VAL H 71 -11.351 -37.505 37.552 1.00 26.83 C +ATOM 4359 H VAL H 71 -13.630 -38.892 36.340 1.00 24.74 H +ATOM 4360 HA VAL H 71 -11.846 -38.021 34.121 1.00 23.28 H +ATOM 4361 HB VAL H 71 -10.066 -37.447 35.833 1.00 25.17 H +ATOM 4362 HG11 VAL H 71 -10.864 -35.178 36.262 1.00 29.67 H +ATOM 4363 HG12 VAL H 71 -11.180 -35.708 34.593 1.00 29.67 H +ATOM 4364 HG13 VAL H 71 -12.504 -35.674 35.782 1.00 29.67 H +ATOM 4365 HG21 VAL H 71 -10.779 -36.768 38.116 1.00 26.83 H +ATOM 4366 HG22 VAL H 71 -12.411 -37.396 37.782 1.00 26.83 H +ATOM 4367 HG23 VAL H 71 -11.022 -38.507 37.826 1.00 26.83 H +ATOM 4368 N ASP H 72 -10.183 -39.889 34.557 1.00 23.38 N +ATOM 4369 CA ASP H 72 -9.274 -40.997 34.785 1.00 25.52 C +ATOM 4370 C ASP H 72 -7.912 -40.390 35.087 1.00 27.90 C +ATOM 4371 O ASP H 72 -7.190 -39.962 34.182 1.00 27.35 O +ATOM 4372 CB ASP H 72 -9.212 -41.937 33.577 1.00 27.43 C +ATOM 4373 CG ASP H 72 -8.203 -43.076 33.769 1.00 32.97 C +ATOM 4374 OD1 ASP H 72 -7.929 -43.453 34.930 1.00 31.07 O +ATOM 4375 OD2 ASP H 72 -7.685 -43.588 32.758 1.00 34.55 O +ATOM 4376 H ASP H 72 -9.978 -39.258 33.795 1.00 23.38 H +ATOM 4377 HA ASP H 72 -9.612 -41.560 35.655 1.00 25.52 H +ATOM 4378 HB3 ASP H 72 -8.949 -41.366 32.687 1.00 27.43 H +ATOM 4379 HB2 ASP H 72 -10.201 -42.356 33.393 1.00 27.43 H +ATOM 4380 N ILE H 73 -7.569 -40.341 36.370 1.00 30.03 N +ATOM 4381 CA ILE H 73 -6.346 -39.672 36.803 1.00 33.10 C +ATOM 4382 C ILE H 73 -5.089 -40.324 36.218 1.00 33.17 C +ATOM 4383 O ILE H 73 -4.192 -39.619 35.765 1.00 35.23 O +ATOM 4384 CB ILE H 73 -6.280 -39.505 38.349 1.00 35.26 C +ATOM 4385 CG1 ILE H 73 -7.408 -38.564 38.814 1.00 33.53 C +ATOM 4386 CG2 ILE H 73 -4.924 -38.919 38.780 1.00 33.90 C +ATOM 4387 CD1 ILE H 73 -7.731 -38.629 40.306 1.00 34.98 C +ATOM 4388 H ILE H 73 -8.159 -40.772 37.067 1.00 30.03 H +ATOM 4389 HA ILE H 73 -6.387 -38.664 36.389 1.00 33.10 H +ATOM 4390 HB ILE H 73 -6.413 -40.480 38.819 1.00 35.26 H +ATOM 4391 HG13 ILE H 73 -8.311 -38.773 38.240 1.00 33.53 H +ATOM 4392 HG12 ILE H 73 -7.156 -37.538 38.544 1.00 33.53 H +ATOM 4393 HG21 ILE H 73 -4.902 -38.812 39.864 1.00 33.90 H +ATOM 4394 HG22 ILE H 73 -4.122 -39.587 38.465 1.00 33.90 H +ATOM 4395 HG23 ILE H 73 -4.786 -37.942 38.316 1.00 33.90 H +ATOM 4396 HD11 ILE H 73 -8.537 -37.931 40.535 1.00 34.98 H +ATOM 4397 HD12 ILE H 73 -8.042 -39.641 40.567 1.00 34.98 H +ATOM 4398 HD13 ILE H 73 -6.845 -38.362 40.882 1.00 34.98 H +ATOM 4399 N SER H 74 -5.056 -41.655 36.173 1.00 34.16 N +ATOM 4400 CA SER H 74 -3.870 -42.382 35.696 1.00 35.04 C +ATOM 4401 C SER H 74 -3.492 -42.038 34.250 1.00 35.16 C +ATOM 4402 O SER H 74 -2.317 -42.111 33.883 1.00 32.99 O +ATOM 4403 CB SER H 74 -4.018 -43.897 35.897 1.00 33.48 C +ATOM 4404 OG SER H 74 -5.051 -44.435 35.090 1.00 33.38 O +ATOM 4405 H SER H 74 -5.859 -42.190 36.471 1.00 34.16 H +ATOM 4406 HA SER H 74 -3.036 -42.064 36.321 1.00 35.04 H +ATOM 4407 HB3 SER H 74 -4.232 -44.105 36.946 1.00 33.48 H +ATOM 4408 HB2 SER H 74 -3.076 -44.389 35.655 1.00 33.48 H +ATOM 4409 HG SER H 74 -5.860 -43.938 35.231 1.00 33.38 H +ATOM 4410 N SER H 75 -4.482 -41.641 33.446 1.00 32.30 N +ATOM 4411 CA SER H 75 -4.239 -41.280 32.048 1.00 31.98 C +ATOM 4412 C SER H 75 -4.421 -39.780 31.777 1.00 30.64 C +ATOM 4413 O SER H 75 -4.385 -39.346 30.623 1.00 30.14 O +ATOM 4414 CB SER H 75 -5.133 -42.102 31.122 1.00 31.80 C +ATOM 4415 OG SER H 75 -6.477 -41.677 31.229 1.00 33.94 O +ATOM 4416 H SER H 75 -5.427 -41.584 33.799 1.00 32.30 H +ATOM 4417 HA SER H 75 -3.204 -41.533 31.817 1.00 31.98 H +ATOM 4418 HB3 SER H 75 -5.063 -43.156 31.391 1.00 31.80 H +ATOM 4419 HB2 SER H 75 -4.796 -41.983 30.092 1.00 31.80 H +ATOM 4420 HG SER H 75 -6.971 -42.307 31.759 1.00 33.94 H +ATOM 4421 N SER H 76 -4.602 -39.001 32.844 1.00 25.95 N +ATOM 4422 CA SER H 76 -4.755 -37.540 32.757 1.00 26.16 C +ATOM 4423 C SER H 76 -5.865 -37.112 31.777 1.00 25.55 C +ATOM 4424 O SER H 76 -5.675 -36.183 30.986 1.00 22.54 O +ATOM 4425 CB SER H 76 -3.424 -36.867 32.367 1.00 27.43 C +ATOM 4426 OG SER H 76 -2.347 -37.315 33.175 1.00 26.73 O +ATOM 4427 H SER H 76 -4.639 -39.409 33.767 1.00 25.95 H +ATOM 4428 HA SER H 76 -5.031 -37.177 33.747 1.00 26.16 H +ATOM 4429 HB3 SER H 76 -3.523 -35.786 32.462 1.00 27.43 H +ATOM 4430 HB2 SER H 76 -3.204 -37.078 31.320 1.00 27.43 H +ATOM 4431 HG SER H 76 -2.244 -38.264 33.074 1.00 26.73 H +ATOM 4432 N THR H 77 -7.009 -37.796 31.840 1.00 24.50 N +ATOM 4433 CA THR H 77 -8.102 -37.599 30.884 1.00 21.58 C +ATOM 4434 C THR H 77 -9.427 -37.372 31.595 1.00 24.91 C +ATOM 4435 O THR H 77 -9.807 -38.144 32.484 1.00 28.19 O +ATOM 4436 CB THR H 77 -8.253 -38.813 29.917 1.00 26.14 C +ATOM 4437 OG1 THR H 77 -7.007 -39.049 29.245 1.00 25.01 O +ATOM 4438 CG2 THR H 77 -9.356 -38.541 28.870 1.00 23.53 C +ATOM 4439 H THR H 77 -7.148 -38.482 32.568 1.00 24.50 H +ATOM 4440 HA THR H 77 -7.879 -36.714 30.288 1.00 21.58 H +ATOM 4441 HB THR H 77 -8.520 -39.698 30.495 1.00 26.14 H +ATOM 4442 HG1 THR H 77 -6.300 -39.109 29.892 1.00 25.01 H +ATOM 4443 HG21 THR H 77 -9.446 -39.400 28.205 1.00 23.53 H +ATOM 4444 HG22 THR H 77 -10.306 -38.374 29.377 1.00 23.53 H +ATOM 4445 HG23 THR H 77 -9.095 -37.657 28.288 1.00 23.53 H +ATOM 4446 N ALA H 78 -10.125 -36.307 31.202 1.00 22.03 N +ATOM 4447 CA ALA H 78 -11.482 -36.074 31.669 1.00 19.92 C +ATOM 4448 C ALA H 78 -12.462 -36.471 30.581 1.00 21.11 C +ATOM 4449 O ALA H 78 -12.151 -36.363 29.399 1.00 22.63 O +ATOM 4450 CB ALA H 78 -11.683 -34.636 32.024 1.00 17.24 C +ATOM 4451 H ALA H 78 -9.713 -35.640 30.566 1.00 22.03 H +ATOM 4452 HA ALA H 78 -11.664 -36.687 32.552 1.00 19.92 H +ATOM 4453 HB1 ALA H 78 -12.706 -34.486 32.371 1.00 17.24 H +ATOM 4454 HB2 ALA H 78 -10.987 -34.356 32.815 1.00 17.24 H +ATOM 4455 HB3 ALA H 78 -11.503 -34.016 31.146 1.00 17.24 H +ATOM 4456 N TYR H 79 -13.659 -36.890 30.987 1.00 20.78 N +ATOM 4457 CA TYR H 79 -14.695 -37.318 30.048 1.00 19.38 C +ATOM 4458 C TYR H 79 -16.011 -36.573 30.269 1.00 20.66 C +ATOM 4459 O TYR H 79 -16.404 -36.326 31.407 1.00 21.52 O +ATOM 4460 CB TYR H 79 -14.948 -38.826 30.179 1.00 25.13 C +ATOM 4461 CG TYR H 79 -13.732 -39.670 29.920 1.00 26.76 C +ATOM 4462 CD1 TYR H 79 -13.402 -40.066 28.624 1.00 24.75 C +ATOM 4463 CD2 TYR H 79 -12.895 -40.063 30.972 1.00 29.23 C +ATOM 4464 CE1 TYR H 79 -12.281 -40.827 28.377 1.00 25.95 C +ATOM 4465 CE2 TYR H 79 -11.770 -40.825 30.736 1.00 26.74 C +ATOM 4466 CZ TYR H 79 -11.466 -41.202 29.440 1.00 28.72 C +ATOM 4467 OH TYR H 79 -10.347 -41.967 29.198 1.00 31.53 O +ATOM 4468 H TYR H 79 -13.876 -36.920 31.973 1.00 20.78 H +ATOM 4469 HA TYR H 79 -14.348 -37.113 29.035 1.00 19.38 H +ATOM 4470 HB3 TYR H 79 -15.744 -39.120 29.495 1.00 25.13 H +ATOM 4471 HB2 TYR H 79 -15.333 -39.043 31.175 1.00 25.13 H +ATOM 4472 HD1 TYR H 79 -14.030 -39.776 27.794 1.00 24.75 H +ATOM 4473 HD2 TYR H 79 -13.127 -39.769 31.985 1.00 29.23 H +ATOM 4474 HE1 TYR H 79 -12.043 -41.126 27.367 1.00 25.95 H +ATOM 4475 HE2 TYR H 79 -11.136 -41.122 31.559 1.00 26.74 H +ATOM 4476 HH TYR H 79 -9.674 -41.766 29.852 1.00 31.53 H +ATOM 4477 N LEU H 80 -16.687 -36.237 29.174 1.00 21.54 N +ATOM 4478 CA LEU H 80 -18.041 -35.680 29.220 1.00 17.25 C +ATOM 4479 C LEU H 80 -18.985 -36.608 28.454 1.00 19.44 C +ATOM 4480 O LEU H 80 -18.790 -36.863 27.261 1.00 18.77 O +ATOM 4481 CB LEU H 80 -18.092 -34.270 28.611 1.00 19.02 C +ATOM 4482 CG LEU H 80 -19.478 -33.606 28.511 1.00 19.72 C +ATOM 4483 CD1 LEU H 80 -20.133 -33.401 29.883 1.00 22.26 C +ATOM 4484 CD2 LEU H 80 -19.390 -32.263 27.728 1.00 17.84 C +ATOM 4485 H LEU H 80 -16.268 -36.363 28.264 1.00 21.54 H +ATOM 4486 HA LEU H 80 -18.365 -35.627 30.259 1.00 17.25 H +ATOM 4487 HB3 LEU H 80 -17.631 -34.289 27.623 1.00 19.02 H +ATOM 4488 HB2 LEU H 80 -17.420 -33.615 29.166 1.00 19.02 H +ATOM 4489 HG LEU H 80 -20.120 -34.276 27.939 1.00 19.72 H +ATOM 4490 HD11 LEU H 80 -21.107 -32.930 29.754 1.00 22.26 H +ATOM 4491 HD12 LEU H 80 -20.259 -34.366 30.374 1.00 22.26 H +ATOM 4492 HD13 LEU H 80 -19.499 -32.761 30.497 1.00 22.26 H +ATOM 4493 HD21 LEU H 80 -20.380 -31.811 27.669 1.00 17.84 H +ATOM 4494 HD22 LEU H 80 -18.711 -31.584 28.245 1.00 17.84 H +ATOM 4495 HD23 LEU H 80 -19.017 -32.452 26.721 1.00 17.84 H +ATOM 4496 N GLU H 81 -19.983 -37.132 29.158 1.00 20.82 N +ATOM 4497 CA GLU H 81 -20.988 -37.987 28.553 1.00 21.71 C +ATOM 4498 C GLU H 81 -22.317 -37.252 28.490 1.00 23.67 C +ATOM 4499 O GLU H 81 -22.831 -36.778 29.505 1.00 25.60 O +ATOM 4500 CB GLU H 81 -21.137 -39.306 29.318 1.00 22.97 C +ATOM 4501 CG GLU H 81 -22.225 -40.219 28.736 1.00 27.45 C +ATOM 4502 CD GLU H 81 -22.052 -41.697 29.085 1.00 34.03 C +ATOM 4503 OE1 GLU H 81 -21.587 -42.012 30.203 1.00 35.45 O +ATOM 4504 OE2 GLU H 81 -22.404 -42.547 28.232 1.00 36.56 O +ATOM 4505 H GLU H 81 -20.059 -36.939 30.146 1.00 20.82 H +ATOM 4506 HA GLU H 81 -20.675 -38.216 27.534 1.00 21.71 H +ATOM 4507 HB3 GLU H 81 -21.363 -39.095 30.363 1.00 22.97 H +ATOM 4508 HB2 GLU H 81 -20.183 -39.834 29.318 1.00 22.97 H +ATOM 4509 HG3 GLU H 81 -22.251 -40.104 27.652 1.00 27.45 H +ATOM 4510 HG2 GLU H 81 -23.203 -39.879 29.078 1.00 27.45 H +ATOM 4511 N LEU H 82 -22.860 -37.154 27.283 1.00 22.40 N +ATOM 4512 CA LEU H 82 -24.136 -36.493 27.047 1.00 22.09 C +ATOM 4513 C LEU H 82 -25.123 -37.557 26.615 1.00 23.50 C +ATOM 4514 O LEU H 82 -24.887 -38.259 25.640 1.00 22.24 O +ATOM 4515 CB LEU H 82 -23.985 -35.428 25.953 1.00 24.99 C +ATOM 4516 CG LEU H 82 -22.894 -34.383 26.199 1.00 26.23 C +ATOM 4517 CD1 LEU H 82 -22.503 -33.679 24.899 1.00 27.30 C +ATOM 4518 CD2 LEU H 82 -23.347 -33.393 27.244 1.00 24.23 C +ATOM 4519 H LEU H 82 -22.386 -37.547 26.482 1.00 22.40 H +ATOM 4520 HA LEU H 82 -24.482 -36.025 27.969 1.00 22.09 H +ATOM 4521 HB3 LEU H 82 -24.940 -34.924 25.807 1.00 24.99 H +ATOM 4522 HB2 LEU H 82 -23.805 -35.918 24.996 1.00 24.99 H +ATOM 4523 HG LEU H 82 -22.013 -34.898 26.582 1.00 26.23 H +ATOM 4524 HD11 LEU H 82 -21.726 -32.942 25.104 1.00 27.30 H +ATOM 4525 HD12 LEU H 82 -22.128 -34.413 24.186 1.00 27.30 H +ATOM 4526 HD13 LEU H 82 -23.376 -33.179 24.479 1.00 27.30 H +ATOM 4527 HD21 LEU H 82 -22.562 -32.655 27.410 1.00 24.23 H +ATOM 4528 HD22 LEU H 82 -24.251 -32.890 26.901 1.00 24.23 H +ATOM 4529 HD23 LEU H 82 -23.555 -33.918 28.176 1.00 24.23 H +ATOM 4530 N ALA H 82A -26.219 -37.677 27.353 1.00 23.07 N +ATOM 4531 CA ALA H 82A -27.179 -38.745 27.139 1.00 20.24 C +ATOM 4532 C ALA H 82A -28.380 -38.244 26.351 1.00 18.28 C +ATOM 4533 O ALA H 82A -28.635 -37.036 26.297 1.00 19.93 O +ATOM 4534 CB ALA H 82A -27.616 -39.318 28.477 1.00 22.54 C +ATOM 4535 H ALA H 82A -26.406 -37.013 28.091 1.00 23.07 H +ATOM 4536 HA ALA H 82A -26.695 -39.536 26.566 1.00 20.24 H +ATOM 4537 HB1 ALA H 82A -28.336 -40.119 28.312 1.00 22.54 H +ATOM 4538 HB2 ALA H 82A -26.748 -39.714 29.004 1.00 22.54 H +ATOM 4539 HB3 ALA H 82A -28.078 -38.533 29.076 1.00 22.54 H +ATOM 4540 N ARG H 82B -29.077 -39.178 25.713 1.00 21.32 N +ATOM 4541 CA ARG H 82B -30.400 -38.940 25.125 1.00 27.25 C +ATOM 4542 C ARG H 82B -30.390 -37.757 24.164 1.00 23.92 C +ATOM 4543 O ARG H 82B -31.193 -36.822 24.273 1.00 23.63 O +ATOM 4544 CB ARG H 82B -31.454 -38.759 26.222 1.00 28.90 C +ATOM 4545 CG ARG H 82B -31.717 -40.015 27.036 1.00 33.67 C +ATOM 4546 CD ARG H 82B -32.827 -39.790 28.060 1.00 35.48 C +ATOM 4547 NE ARG H 82B -32.442 -38.765 29.030 1.00 39.43 N +ATOM 4548 CZ ARG H 82B -31.625 -38.975 30.059 1.00 43.49 C +ATOM 4549 NH1 ARG H 82B -31.105 -40.180 30.275 1.00 41.70 N +ATOM 4550 NH2 ARG H 82B -31.330 -37.974 30.878 1.00 46.09 N +ATOM 4551 H ARG H 82B -28.700 -40.110 25.613 1.00 21.32 H +ATOM 4552 HA ARG H 82B -30.670 -39.827 24.552 1.00 27.25 H +ATOM 4553 HB3 ARG H 82B -32.387 -38.417 25.774 1.00 28.90 H +ATOM 4554 HB2 ARG H 82B -31.147 -37.954 26.889 1.00 28.90 H +ATOM 4555 HG3 ARG H 82B -30.803 -40.312 27.551 1.00 33.67 H +ATOM 4556 HG2 ARG H 82B -32.000 -40.828 26.367 1.00 33.67 H +ATOM 4557 HD3 ARG H 82B -33.034 -40.724 28.582 1.00 35.48 H +ATOM 4558 HD2 ARG H 82B -33.737 -39.480 27.546 1.00 35.48 H +ATOM 4559 HE ARG H 82B -32.840 -37.849 28.880 1.00 39.43 H +ATOM 4560 HH12 ARG H 82B -30.486 -40.330 31.059 1.00 41.70 H +ATOM 4561 HH11 ARG H 82B -31.329 -40.945 29.655 1.00 41.70 H +ATOM 4562 HH22 ARG H 82B -30.710 -38.128 31.661 1.00 46.09 H +ATOM 4563 HH21 ARG H 82B -31.725 -37.058 30.719 1.00 46.09 H +ATOM 4564 N LEU H 82C -29.466 -37.812 23.216 1.00 22.78 N +ATOM 4565 CA LEU H 82C -29.210 -36.684 22.333 1.00 22.47 C +ATOM 4566 C LEU H 82C -30.396 -36.309 21.436 1.00 18.42 C +ATOM 4567 O LEU H 82C -31.117 -37.166 20.939 1.00 18.08 O +ATOM 4568 CB LEU H 82C -27.946 -36.931 21.503 1.00 22.08 C +ATOM 4569 CG LEU H 82C -26.646 -37.130 22.290 1.00 25.81 C +ATOM 4570 CD1 LEU H 82C -25.517 -37.499 21.352 1.00 30.20 C +ATOM 4571 CD2 LEU H 82C -26.267 -35.904 23.113 1.00 22.88 C +ATOM 4572 H LEU H 82C -28.919 -38.652 23.092 1.00 22.78 H +ATOM 4573 HA LEU H 82C -29.008 -35.822 22.969 1.00 22.47 H +ATOM 4574 HB3 LEU H 82C -27.816 -36.113 20.795 1.00 22.08 H +ATOM 4575 HB2 LEU H 82C -28.106 -37.790 20.851 1.00 22.08 H +ATOM 4576 HG LEU H 82C -26.795 -37.962 22.978 1.00 25.81 H +ATOM 4577 HD11 LEU H 82C -24.599 -37.637 21.924 1.00 30.20 H +ATOM 4578 HD12 LEU H 82C -25.764 -38.425 20.832 1.00 30.20 H +ATOM 4579 HD13 LEU H 82C -25.374 -36.701 20.624 1.00 30.20 H +ATOM 4580 HD21 LEU H 82C -25.339 -36.099 23.650 1.00 22.88 H +ATOM 4581 HD22 LEU H 82C -26.130 -35.049 22.451 1.00 22.88 H +ATOM 4582 HD23 LEU H 82C -27.061 -35.686 23.827 1.00 22.88 H +ATOM 4583 N THR H 83 -30.586 -35.005 21.266 1.00 21.33 N +ATOM 4584 CA THR H 83 -31.550 -34.452 20.322 1.00 23.57 C +ATOM 4585 C THR H 83 -30.820 -33.452 19.417 1.00 25.34 C +ATOM 4586 O THR H 83 -29.629 -33.179 19.609 1.00 20.51 O +ATOM 4587 CB THR H 83 -32.738 -33.746 21.046 1.00 25.51 C +ATOM 4588 OG1 THR H 83 -32.268 -32.614 21.793 1.00 26.45 O +ATOM 4589 CG2 THR H 83 -33.448 -34.705 21.995 1.00 26.48 C +ATOM 4590 H THR H 83 -30.048 -34.342 21.806 1.00 21.33 H +ATOM 4591 HA THR H 83 -31.944 -35.261 19.707 1.00 23.57 H +ATOM 4592 HB THR H 83 -33.451 -33.401 20.297 1.00 25.51 H +ATOM 4593 HG1 THR H 83 -31.705 -32.915 22.510 1.00 26.45 H +ATOM 4594 HG21 THR H 83 -34.272 -34.187 22.486 1.00 26.48 H +ATOM 4595 HG22 THR H 83 -33.837 -35.553 21.431 1.00 26.48 H +ATOM 4596 HG23 THR H 83 -32.743 -35.061 22.747 1.00 26.48 H +ATOM 4597 N SER H 84 -31.534 -32.912 18.433 1.00 27.22 N +ATOM 4598 CA SER H 84 -31.006 -31.850 17.563 1.00 28.75 C +ATOM 4599 C SER H 84 -30.392 -30.690 18.347 1.00 30.21 C +ATOM 4600 O SER H 84 -29.354 -30.153 17.945 1.00 31.61 O +ATOM 4601 CB SER H 84 -32.095 -31.339 16.610 1.00 32.37 C +ATOM 4602 OG SER H 84 -33.194 -30.798 17.328 1.00 37.25 O +ATOM 4603 H SER H 84 -32.477 -33.230 18.260 1.00 27.22 H +ATOM 4604 HA SER H 84 -30.216 -32.288 16.953 1.00 28.75 H +ATOM 4605 HB3 SER H 84 -32.441 -32.159 15.981 1.00 32.37 H +ATOM 4606 HB2 SER H 84 -31.676 -30.573 15.957 1.00 32.37 H +ATOM 4607 HG SER H 84 -33.859 -30.487 16.709 1.00 37.25 H +ATOM 4608 N GLU H 85 -31.009 -30.323 19.469 1.00 29.02 N +ATOM 4609 CA GLU H 85 -30.468 -29.259 20.332 1.00 33.73 C +ATOM 4610 C GLU H 85 -29.022 -29.532 20.772 1.00 27.92 C +ATOM 4611 O GLU H 85 -28.297 -28.627 21.201 1.00 25.65 O +ATOM 4612 CB GLU H 85 -31.354 -29.049 21.575 1.00 39.76 C +ATOM 4613 CG GLU H 85 -32.871 -29.145 21.342 1.00 49.05 C +ATOM 4614 CD GLU H 85 -33.456 -27.949 20.596 1.00 55.47 C +ATOM 4615 OE1 GLU H 85 -32.754 -26.919 20.452 1.00 59.41 O +ATOM 4616 OE2 GLU H 85 -34.628 -28.041 20.157 1.00 55.40 O +ATOM 4617 H GLU H 85 -31.868 -30.777 19.745 1.00 29.02 H +ATOM 4618 HA GLU H 85 -30.472 -28.331 19.759 1.00 33.73 H +ATOM 4619 HB3 GLU H 85 -31.120 -28.084 22.025 1.00 39.76 H +ATOM 4620 HB2 GLU H 85 -31.063 -29.760 22.348 1.00 39.76 H +ATOM 4621 HG3 GLU H 85 -33.378 -29.256 22.301 1.00 49.05 H +ATOM 4622 HG2 GLU H 85 -33.095 -30.059 20.792 1.00 49.05 H +ATOM 4623 N ASP H 86 -28.598 -30.786 20.676 1.00 24.69 N +ATOM 4624 CA ASP H 86 -27.296 -31.165 21.215 1.00 20.37 C +ATOM 4625 C ASP H 86 -26.159 -31.079 20.192 1.00 18.42 C +ATOM 4626 O ASP H 86 -24.997 -31.162 20.571 1.00 19.03 O +ATOM 4627 CB ASP H 86 -27.376 -32.550 21.857 1.00 25.61 C +ATOM 4628 CG ASP H 86 -28.298 -32.574 23.068 1.00 28.34 C +ATOM 4629 OD1 ASP H 86 -28.159 -31.698 23.950 1.00 29.36 O +ATOM 4630 OD2 ASP H 86 -29.167 -33.466 23.140 1.00 26.62 O +ATOM 4631 H ASP H 86 -29.177 -31.482 20.229 1.00 24.69 H +ATOM 4632 HA ASP H 86 -27.063 -30.458 22.011 1.00 20.37 H +ATOM 4633 HB3 ASP H 86 -26.377 -32.869 22.155 1.00 25.61 H +ATOM 4634 HB2 ASP H 86 -27.728 -33.272 21.120 1.00 25.61 H +ATOM 4635 N SER H 87 -26.488 -30.916 18.907 1.00 19.58 N +ATOM 4636 CA SER H 87 -25.442 -30.668 17.892 1.00 21.06 C +ATOM 4637 C SER H 87 -24.777 -29.321 18.164 1.00 20.98 C +ATOM 4638 O SER H 87 -25.452 -28.271 18.153 1.00 18.43 O +ATOM 4639 CB SER H 87 -26.013 -30.702 16.480 1.00 20.66 C +ATOM 4640 OG SER H 87 -26.586 -31.958 16.195 1.00 18.57 O +ATOM 4641 H SER H 87 -27.456 -30.962 18.624 1.00 19.58 H +ATOM 4642 HA SER H 87 -24.687 -31.449 17.977 1.00 21.06 H +ATOM 4643 HB3 SER H 87 -25.219 -30.494 15.762 1.00 20.66 H +ATOM 4644 HB2 SER H 87 -26.771 -29.925 16.376 1.00 20.66 H +ATOM 4645 HG SER H 87 -27.319 -31.845 15.585 1.00 18.57 H +ATOM 4646 N ALA H 88 -23.469 -29.356 18.427 1.00 17.62 N +ATOM 4647 CA ALA H 88 -22.698 -28.176 18.847 1.00 17.91 C +ATOM 4648 C ALA H 88 -21.223 -28.537 18.951 1.00 20.60 C +ATOM 4649 O ALA H 88 -20.853 -29.693 18.791 1.00 19.99 O +ATOM 4650 CB ALA H 88 -23.207 -27.660 20.216 1.00 18.42 C +ATOM 4651 H ALA H 88 -22.960 -30.224 18.341 1.00 17.62 H +ATOM 4652 HA ALA H 88 -22.820 -27.389 18.103 1.00 17.91 H +ATOM 4653 HB1 ALA H 88 -22.627 -26.787 20.514 1.00 18.42 H +ATOM 4654 HB2 ALA H 88 -24.259 -27.386 20.133 1.00 18.42 H +ATOM 4655 HB3 ALA H 88 -23.094 -28.444 20.965 1.00 18.42 H +ATOM 4656 N ILE H 89 -20.392 -27.530 19.210 1.00 19.81 N +ATOM 4657 CA ILE H 89 -19.010 -27.721 19.591 1.00 19.42 C +ATOM 4658 C ILE H 89 -18.971 -27.757 21.113 1.00 18.21 C +ATOM 4659 O ILE H 89 -19.628 -26.958 21.779 1.00 23.57 O +ATOM 4660 CB ILE H 89 -18.105 -26.579 19.050 1.00 21.51 C +ATOM 4661 CG1 ILE H 89 -18.151 -26.568 17.512 1.00 24.67 C +ATOM 4662 CG2 ILE H 89 -16.665 -26.721 19.586 1.00 22.23 C +ATOM 4663 CD1 ILE H 89 -17.486 -25.343 16.859 1.00 31.46 C +ATOM 4664 H ILE H 89 -20.718 -26.576 19.144 1.00 19.81 H +ATOM 4665 HA ILE H 89 -18.658 -28.675 19.200 1.00 19.42 H +ATOM 4666 HB ILE H 89 -18.507 -25.631 19.407 1.00 21.51 H +ATOM 4667 HG13 ILE H 89 -19.188 -26.635 17.181 1.00 24.67 H +ATOM 4668 HG12 ILE H 89 -17.686 -27.477 17.131 1.00 24.67 H +ATOM 4669 HG21 ILE H 89 -16.049 -25.911 19.194 1.00 22.23 H +ATOM 4670 HG22 ILE H 89 -16.676 -26.675 20.675 1.00 22.23 H +ATOM 4671 HG23 ILE H 89 -16.251 -27.678 19.268 1.00 22.23 H +ATOM 4672 HD11 ILE H 89 -17.566 -25.420 15.775 1.00 31.46 H +ATOM 4673 HD12 ILE H 89 -17.986 -24.435 17.196 1.00 31.46 H +ATOM 4674 HD13 ILE H 89 -16.434 -25.305 17.143 1.00 31.46 H +ATOM 4675 N TYR H 90 -18.233 -28.720 21.652 1.00 19.52 N +ATOM 4676 CA TYR H 90 -18.045 -28.842 23.094 1.00 18.72 C +ATOM 4677 C TYR H 90 -16.573 -28.675 23.407 1.00 21.30 C +ATOM 4678 O TYR H 90 -15.717 -29.368 22.814 1.00 21.24 O +ATOM 4679 CB TYR H 90 -18.570 -30.198 23.603 1.00 20.99 C +ATOM 4680 CG TYR H 90 -20.064 -30.330 23.443 1.00 19.69 C +ATOM 4681 CD1 TYR H 90 -20.620 -30.810 22.254 1.00 18.68 C +ATOM 4682 CD2 TYR H 90 -20.930 -29.942 24.476 1.00 20.33 C +ATOM 4683 CE1 TYR H 90 -22.021 -30.912 22.099 1.00 18.78 C +ATOM 4684 CE2 TYR H 90 -22.311 -30.032 24.333 1.00 19.80 C +ATOM 4685 CZ TYR H 90 -22.850 -30.523 23.149 1.00 17.36 C +ATOM 4686 OH TYR H 90 -24.216 -30.612 23.010 1.00 17.63 O +ATOM 4687 H TYR H 90 -17.779 -29.400 21.059 1.00 19.52 H +ATOM 4688 HA TYR H 90 -18.600 -28.044 23.588 1.00 18.72 H +ATOM 4689 HB3 TYR H 90 -18.306 -30.318 24.654 1.00 20.99 H +ATOM 4690 HB2 TYR H 90 -18.075 -31.004 23.062 1.00 20.99 H +ATOM 4691 HD1 TYR H 90 -19.977 -31.109 21.439 1.00 18.68 H +ATOM 4692 HD2 TYR H 90 -20.528 -29.565 25.405 1.00 20.33 H +ATOM 4693 HE1 TYR H 90 -22.436 -31.288 21.175 1.00 18.78 H +ATOM 4694 HE2 TYR H 90 -22.959 -29.721 25.139 1.00 19.80 H +ATOM 4695 HH TYR H 90 -24.433 -30.815 22.097 1.00 17.63 H +ATOM 4696 N TYR H 91 -16.273 -27.745 24.320 1.00 18.08 N +ATOM 4697 CA TYR H 91 -14.913 -27.514 24.773 1.00 21.17 C +ATOM 4698 C TYR H 91 -14.696 -28.034 26.179 1.00 22.46 C +ATOM 4699 O TYR H 91 -15.591 -27.943 27.022 1.00 21.16 O +ATOM 4700 CB TYR H 91 -14.611 -26.025 24.844 1.00 19.43 C +ATOM 4701 CG TYR H 91 -14.598 -25.309 23.542 1.00 21.40 C +ATOM 4702 CD1 TYR H 91 -13.485 -25.379 22.705 1.00 22.84 C +ATOM 4703 CD2 TYR H 91 -15.681 -24.508 23.159 1.00 22.76 C +ATOM 4704 CE1 TYR H 91 -13.463 -24.696 21.487 1.00 23.74 C +ATOM 4705 CE2 TYR H 91 -15.670 -23.829 21.949 1.00 23.77 C +ATOM 4706 CZ TYR H 91 -14.551 -23.926 21.124 1.00 24.64 C +ATOM 4707 OH TYR H 91 -14.517 -23.243 19.926 1.00 27.32 O +ATOM 4708 H TYR H 91 -17.005 -27.174 24.719 1.00 18.08 H +ATOM 4709 HA TYR H 91 -14.213 -27.998 24.092 1.00 21.17 H +ATOM 4710 HB3 TYR H 91 -13.656 -25.875 25.347 1.00 19.43 H +ATOM 4711 HB2 TYR H 91 -15.326 -25.544 25.512 1.00 19.43 H +ATOM 4712 HD1 TYR H 91 -12.627 -25.966 22.996 1.00 22.84 H +ATOM 4713 HD2 TYR H 91 -16.539 -24.413 23.808 1.00 22.76 H +ATOM 4714 HE1 TYR H 91 -12.602 -24.773 20.840 1.00 23.74 H +ATOM 4715 HE2 TYR H 91 -16.522 -23.234 21.656 1.00 23.77 H +ATOM 4716 HH TYR H 91 -15.336 -22.756 19.811 1.00 27.32 H +ATOM 4717 N CYS H 92 -13.495 -28.531 26.444 1.00 19.29 N +ATOM 4718 CA CYS H 92 -13.015 -28.559 27.840 1.00 19.08 C +ATOM 4719 C CYS H 92 -12.116 -27.327 28.050 1.00 23.07 C +ATOM 4720 O CYS H 92 -11.537 -26.809 27.105 1.00 21.31 O +ATOM 4721 CB CYS H 92 -12.259 -29.844 28.148 1.00 22.09 C +ATOM 4722 SG CYS H 92 -10.777 -30.115 27.159 1.00 25.32 S +ATOM 4723 H CYS H 92 -12.919 -28.886 25.694 1.00 19.29 H +ATOM 4724 HA CYS H 92 -13.873 -28.487 28.509 1.00 19.08 H +ATOM 4725 HB3 CYS H 92 -12.931 -30.694 28.031 1.00 22.09 H +ATOM 4726 HB2 CYS H 92 -11.995 -29.862 29.205 1.00 22.09 H +ATOM 4727 N ALA H 93 -12.019 -26.850 29.285 1.00 22.35 N +ATOM 4728 CA ALA H 93 -11.232 -25.658 29.575 1.00 22.83 C +ATOM 4729 C ALA H 93 -10.787 -25.740 31.026 1.00 23.80 C +ATOM 4730 O ALA H 93 -11.549 -26.200 31.881 1.00 22.27 O +ATOM 4731 CB ALA H 93 -12.055 -24.391 29.325 1.00 21.82 C +ATOM 4732 H ALA H 93 -12.496 -27.315 30.045 1.00 22.35 H +ATOM 4733 HA ALA H 93 -10.352 -25.645 28.932 1.00 22.83 H +ATOM 4734 HB1 ALA H 93 -11.448 -23.513 29.548 1.00 21.82 H +ATOM 4735 HB2 ALA H 93 -12.368 -24.360 28.281 1.00 21.82 H +ATOM 4736 HB3 ALA H 93 -12.935 -24.396 29.968 1.00 21.82 H +ATOM 4737 N ARG H 94 -9.564 -25.288 31.296 1.00 19.00 N +ATOM 4738 CA ARG H 94 -8.979 -25.355 32.614 1.00 21.71 C +ATOM 4739 C ARG H 94 -9.158 -24.010 33.331 1.00 25.40 C +ATOM 4740 O ARG H 94 -8.998 -22.960 32.715 1.00 24.59 O +ATOM 4741 CB ARG H 94 -7.478 -25.622 32.442 1.00 26.10 C +ATOM 4742 CG ARG H 94 -6.734 -25.970 33.682 1.00 30.32 C +ATOM 4743 CD ARG H 94 -5.230 -26.007 33.404 1.00 30.15 C +ATOM 4744 NE ARG H 94 -4.598 -24.684 33.434 1.00 27.07 N +ATOM 4745 CZ ARG H 94 -3.311 -24.496 33.736 1.00 26.43 C +ATOM 4746 NH1 ARG H 94 -2.539 -25.538 34.015 1.00 22.83 N +ATOM 4747 NH2 ARG H 94 -2.791 -23.275 33.758 1.00 27.65 N +ATOM 4748 H ARG H 94 -9.004 -24.877 30.563 1.00 19.00 H +ATOM 4749 HA ARG H 94 -9.441 -26.155 33.192 1.00 21.71 H +ATOM 4750 HB3 ARG H 94 -7.010 -24.757 31.973 1.00 26.10 H +ATOM 4751 HB2 ARG H 94 -7.335 -26.411 31.704 1.00 26.10 H +ATOM 4752 HG3 ARG H 94 -7.061 -26.946 34.040 1.00 30.32 H +ATOM 4753 HG2 ARG H 94 -6.943 -25.227 34.451 1.00 30.32 H +ATOM 4754 HD3 ARG H 94 -5.053 -26.471 32.434 1.00 30.15 H +ATOM 4755 HD2 ARG H 94 -4.744 -26.657 34.131 1.00 30.15 H +ATOM 4756 HE ARG H 94 -5.185 -23.893 33.212 1.00 27.07 H +ATOM 4757 HH12 ARG H 94 -1.565 -25.398 34.244 1.00 22.83 H +ATOM 4758 HH11 ARG H 94 -2.925 -26.471 33.999 1.00 22.83 H +ATOM 4759 HH22 ARG H 94 -1.816 -23.145 33.988 1.00 27.65 H +ATOM 4760 HH21 ARG H 94 -3.370 -22.476 33.545 1.00 27.65 H +ATOM 4761 N ASP H 95 -9.478 -24.029 34.620 1.00 23.18 N +ATOM 4762 CA ASP H 95 -9.310 -22.797 35.389 1.00 23.71 C +ATOM 4763 C ASP H 95 -7.900 -22.753 35.984 1.00 24.19 C +ATOM 4764 O ASP H 95 -7.173 -23.753 35.917 1.00 26.48 O +ATOM 4765 CB ASP H 95 -10.472 -22.523 36.375 1.00 25.71 C +ATOM 4766 CG ASP H 95 -10.392 -23.311 37.673 1.00 28.65 C +ATOM 4767 OD1 ASP H 95 -9.375 -23.219 38.398 1.00 28.59 O +ATOM 4768 OD2 ASP H 95 -11.402 -23.980 38.007 1.00 26.78 O +ATOM 4769 H ASP H 95 -9.826 -24.878 35.041 1.00 23.18 H +ATOM 4770 HA ASP H 95 -9.347 -21.988 34.660 1.00 23.71 H +ATOM 4771 HB3 ASP H 95 -11.421 -22.734 35.882 1.00 25.71 H +ATOM 4772 HB2 ASP H 95 -10.510 -21.457 36.601 1.00 25.71 H +ATOM 4773 N TRP H 96 -7.478 -21.605 36.508 1.00 20.36 N +ATOM 4774 CA TRP H 96 -6.142 -21.531 37.107 1.00 22.64 C +ATOM 4775 C TRP H 96 -6.190 -21.106 38.573 1.00 20.04 C +ATOM 4776 O TRP H 96 -5.275 -20.442 39.090 1.00 19.44 O +ATOM 4777 CB TRP H 96 -5.183 -20.670 36.266 1.00 26.82 C +ATOM 4778 CG TRP H 96 -5.714 -19.324 35.783 1.00 26.60 C +ATOM 4779 CD1 TRP H 96 -6.832 -19.093 35.020 1.00 28.47 C +ATOM 4780 CD2 TRP H 96 -5.087 -18.048 35.968 1.00 26.64 C +ATOM 4781 NE1 TRP H 96 -6.958 -17.742 34.757 1.00 29.69 N +ATOM 4782 CE2 TRP H 96 -5.898 -17.082 35.323 1.00 26.92 C +ATOM 4783 CE3 TRP H 96 -3.934 -17.626 36.640 1.00 25.74 C +ATOM 4784 CZ2 TRP H 96 -5.588 -15.718 35.328 1.00 28.56 C +ATOM 4785 CZ3 TRP H 96 -3.625 -16.274 36.648 1.00 28.18 C +ATOM 4786 CH2 TRP H 96 -4.446 -15.333 35.992 1.00 28.38 C +ATOM 4787 H TRP H 96 -8.077 -20.792 36.491 1.00 20.36 H +ATOM 4788 HA TRP H 96 -5.741 -22.544 37.092 1.00 22.64 H +ATOM 4789 HB3 TRP H 96 -4.840 -21.249 35.409 1.00 26.82 H +ATOM 4790 HB2 TRP H 96 -4.260 -20.512 36.824 1.00 26.82 H +ATOM 4791 HD1 TRP H 96 -7.460 -19.918 34.719 1.00 28.47 H +ATOM 4792 HE1 TRP H 96 -7.745 -17.403 34.223 1.00 29.69 H +ATOM 4793 HE3 TRP H 96 -3.305 -18.348 37.139 1.00 25.74 H +ATOM 4794 HZ2 TRP H 96 -6.235 -15.015 34.824 1.00 28.56 H +ATOM 4795 HZ3 TRP H 96 -2.742 -15.925 37.163 1.00 28.18 H +ATOM 4796 HH2 TRP H 96 -4.162 -14.291 36.018 1.00 28.38 H +ATOM 4797 N GLU H 97 -7.266 -21.524 39.242 1.00 19.97 N +ATOM 4798 CA GLU H 97 -7.444 -21.326 40.686 1.00 16.94 C +ATOM 4799 C GLU H 97 -7.451 -19.833 41.080 1.00 17.77 C +ATOM 4800 O GLU H 97 -6.984 -19.444 42.152 1.00 15.90 O +ATOM 4801 CB GLU H 97 -6.434 -22.176 41.501 1.00 18.50 C +ATOM 4802 CG GLU H 97 -6.961 -22.556 42.881 1.00 16.05 C +ATOM 4803 CD GLU H 97 -6.095 -23.542 43.654 1.00 17.11 C +ATOM 4804 OE1 GLU H 97 -6.568 -23.973 44.720 1.00 17.24 O +ATOM 4805 OE2 GLU H 97 -4.949 -23.882 43.239 1.00 18.74 O +ATOM 4806 H GLU H 97 -8.009 -22.003 38.754 1.00 19.97 H +ATOM 4807 HA GLU H 97 -8.434 -21.711 40.928 1.00 16.94 H +ATOM 4808 HB3 GLU H 97 -5.500 -21.624 41.609 1.00 18.50 H +ATOM 4809 HB2 GLU H 97 -6.190 -23.081 40.945 1.00 18.50 H +ATOM 4810 HG3 GLU H 97 -7.968 -22.961 42.783 1.00 16.05 H +ATOM 4811 HG2 GLU H 97 -7.098 -21.653 43.476 1.00 16.05 H +ATOM 4812 N ARG H 98 -8.013 -19.019 40.184 1.00 19.55 N +ATOM 4813 CA ARG H 98 -8.272 -17.591 40.441 1.00 21.12 C +ATOM 4814 C ARG H 98 -9.768 -17.284 40.326 1.00 20.10 C +ATOM 4815 O ARG H 98 -10.165 -16.116 40.359 1.00 19.29 O +ATOM 4816 CB ARG H 98 -7.548 -16.708 39.401 1.00 24.07 C +ATOM 4817 CG ARG H 98 -6.109 -17.073 39.131 1.00 31.57 C +ATOM 4818 CD ARG H 98 -5.241 -16.894 40.360 1.00 31.98 C +ATOM 4819 NE ARG H 98 -5.258 -15.503 40.821 1.00 30.62 N +ATOM 4820 CZ ARG H 98 -4.707 -15.083 41.953 1.00 27.33 C +ATOM 4821 NH1 ARG H 98 -4.088 -15.953 42.742 1.00 21.67 N +ATOM 4822 NH2 ARG H 98 -4.780 -13.787 42.291 1.00 24.44 N +ATOM 4823 H ARG H 98 -8.283 -19.375 39.278 1.00 19.55 H +ATOM 4824 HA ARG H 98 -7.924 -17.333 41.441 1.00 21.12 H +ATOM 4825 HB3 ARG H 98 -7.603 -15.665 39.714 1.00 24.07 H +ATOM 4826 HB2 ARG H 98 -8.105 -16.724 38.464 1.00 24.07 H +ATOM 4827 HG3 ARG H 98 -5.723 -16.453 38.321 1.00 31.57 H +ATOM 4828 HG2 ARG H 98 -6.054 -18.109 38.796 1.00 31.57 H +ATOM 4829 HD3 ARG H 98 -4.217 -17.187 40.127 1.00 31.98 H +ATOM 4830 HD2 ARG H 98 -5.601 -17.545 41.157 1.00 31.98 H +ATOM 4831 HE ARG H 98 -5.728 -14.847 40.214 1.00 30.62 H +ATOM 4832 HH12 ARG H 98 -3.666 -15.641 43.605 1.00 21.67 H +ATOM 4833 HH11 ARG H 98 -4.039 -16.927 42.479 1.00 21.67 H +ATOM 4834 HH22 ARG H 98 -4.361 -13.465 43.152 1.00 24.44 H +ATOM 4835 HH21 ARG H 98 -5.254 -13.133 41.684 1.00 24.44 H +ATOM 4836 N GLY H 99 -10.588 -18.326 40.192 1.00 21.06 N +ATOM 4837 CA GLY H 99 -12.015 -18.164 39.905 1.00 25.04 C +ATOM 4838 C GLY H 99 -12.458 -19.048 38.741 1.00 25.15 C +ATOM 4839 O GLY H 99 -11.661 -19.807 38.177 1.00 23.70 O +ATOM 4840 H GLY H 99 -10.230 -19.266 40.288 1.00 21.06 H +ATOM 4841 HA3 GLY H 99 -12.221 -17.120 39.667 1.00 25.04 H +ATOM 4842 HA2 GLY H 99 -12.595 -18.416 40.793 1.00 25.04 H +ATOM 4843 N ASP H 100 -13.734 -18.947 38.372 1.00 18.03 N +ATOM 4844 CA ASP H 100 -14.295 -19.858 37.382 1.00 20.99 C +ATOM 4845 C ASP H 100 -14.276 -19.239 35.995 1.00 18.65 C +ATOM 4846 O ASP H 100 -15.323 -18.917 35.398 1.00 22.78 O +ATOM 4847 CB ASP H 100 -15.671 -20.348 37.827 1.00 21.53 C +ATOM 4848 CG ASP H 100 -15.577 -21.247 39.064 1.00 20.49 C +ATOM 4849 OD1 ASP H 100 -14.785 -22.221 39.039 1.00 24.17 O +ATOM 4850 OD2 ASP H 100 -16.248 -20.959 40.073 1.00 24.96 O +ATOM 4851 H ASP H 100 -14.322 -18.234 38.779 1.00 18.03 H +ATOM 4852 HA ASP H 100 -13.643 -20.731 37.349 1.00 20.99 H +ATOM 4853 HB3 ASP H 100 -16.140 -20.900 37.013 1.00 21.53 H +ATOM 4854 HB2 ASP H 100 -16.307 -19.491 38.049 1.00 21.53 H +ATOM 4855 N PHE H 100A -13.050 -19.055 35.515 1.00 19.99 N +ATOM 4856 CA PHE H 100A -12.762 -18.548 34.181 1.00 22.35 C +ATOM 4857 C PHE H 100A -11.439 -19.190 33.732 1.00 21.41 C +ATOM 4858 O PHE H 100A -10.681 -19.710 34.561 1.00 20.97 O +ATOM 4859 CB PHE H 100A -12.738 -17.014 34.162 1.00 24.09 C +ATOM 4860 CG PHE H 100A -11.697 -16.408 35.054 1.00 20.31 C +ATOM 4861 CD1 PHE H 100A -10.428 -16.145 34.564 1.00 22.58 C +ATOM 4862 CD2 PHE H 100A -11.990 -16.085 36.380 1.00 21.95 C +ATOM 4863 CE1 PHE H 100A -9.450 -15.573 35.387 1.00 22.28 C +ATOM 4864 CE2 PHE H 100A -11.018 -15.526 37.211 1.00 22.91 C +ATOM 4865 CZ PHE H 100A -9.745 -15.273 36.716 1.00 23.69 C +ATOM 4866 H PHE H 100A -12.246 -19.271 36.087 1.00 19.99 H +ATOM 4867 HA PHE H 100A -13.551 -18.886 33.509 1.00 22.35 H +ATOM 4868 HB3 PHE H 100A -13.720 -16.634 34.443 1.00 24.09 H +ATOM 4869 HB2 PHE H 100A -12.584 -16.668 33.140 1.00 24.09 H +ATOM 4870 HD1 PHE H 100A -10.185 -16.381 33.538 1.00 22.58 H +ATOM 4871 HD2 PHE H 100A -12.979 -16.267 36.774 1.00 21.95 H +ATOM 4872 HE1 PHE H 100A -8.467 -15.364 34.992 1.00 22.28 H +ATOM 4873 HE2 PHE H 100A -11.256 -15.291 38.238 1.00 22.91 H +ATOM 4874 HZ PHE H 100A -8.986 -14.846 37.355 1.00 23.69 H +ATOM 4875 N PHE H 100K -11.173 -19.162 32.429 1.00 21.09 N +ATOM 4876 CA PHE H 100K -10.379 -20.240 31.807 1.00 23.20 C +ATOM 4877 C PHE H 100K -9.178 -19.770 30.998 1.00 21.35 C +ATOM 4878 O PHE H 100K -9.324 -19.036 30.013 1.00 24.79 O +ATOM 4879 CB PHE H 100K -11.314 -21.155 30.987 1.00 22.27 C +ATOM 4880 CG PHE H 100K -12.618 -21.382 31.664 1.00 20.37 C +ATOM 4881 CD1 PHE H 100K -12.646 -21.996 32.917 1.00 22.25 C +ATOM 4882 CD2 PHE H 100K -13.802 -20.881 31.138 1.00 20.77 C +ATOM 4883 CE1 PHE H 100K -13.851 -22.148 33.603 1.00 24.80 C +ATOM 4884 CE2 PHE H 100K -14.993 -21.046 31.812 1.00 22.10 C +ATOM 4885 CZ PHE H 100K -15.020 -21.681 33.047 1.00 24.72 C +ATOM 4886 H PHE H 100K -11.515 -18.401 31.860 1.00 21.09 H +ATOM 4887 HA PHE H 100K -9.986 -20.847 32.623 1.00 23.20 H +ATOM 4888 HB3 PHE H 100K -10.824 -22.113 30.814 1.00 22.27 H +ATOM 4889 HB2 PHE H 100K -11.487 -20.711 30.007 1.00 22.27 H +ATOM 4890 HD1 PHE H 100K -11.731 -22.357 33.362 1.00 22.25 H +ATOM 4891 HD2 PHE H 100K -13.794 -20.357 30.194 1.00 20.77 H +ATOM 4892 HE1 PHE H 100K -13.865 -22.631 34.569 1.00 24.80 H +ATOM 4893 HE2 PHE H 100K -15.913 -20.681 31.380 1.00 22.10 H +ATOM 4894 HZ PHE H 100K -15.956 -21.809 33.571 1.00 24.72 H +ATOM 4895 N ASP H 101 -7.998 -20.217 31.431 1.00 20.27 N +ATOM 4896 CA ASP H 101 -6.752 -19.832 30.781 1.00 23.29 C +ATOM 4897 C ASP H 101 -6.393 -20.706 29.572 1.00 25.57 C +ATOM 4898 O ASP H 101 -5.909 -20.190 28.568 1.00 30.15 O +ATOM 4899 CB ASP H 101 -5.577 -19.677 31.779 1.00 24.00 C +ATOM 4900 CG ASP H 101 -5.194 -20.972 32.514 1.00 26.43 C +ATOM 4901 OD1 ASP H 101 -5.917 -21.996 32.492 1.00 25.53 O +ATOM 4902 OD2 ASP H 101 -4.113 -20.968 33.147 1.00 27.87 O +ATOM 4903 H ASP H 101 -7.954 -20.837 32.227 1.00 20.27 H +ATOM 4904 HA ASP H 101 -6.928 -18.834 30.379 1.00 23.29 H +ATOM 4905 HB3 ASP H 101 -5.823 -18.906 32.510 1.00 24.00 H +ATOM 4906 HB2 ASP H 101 -4.705 -19.289 31.253 1.00 24.00 H +ATOM 4907 N TYR H 102 -6.647 -22.012 29.654 1.00 22.21 N +ATOM 4908 CA TYR H 102 -6.341 -22.915 28.545 1.00 20.88 C +ATOM 4909 C TYR H 102 -7.586 -23.690 28.137 1.00 21.87 C +ATOM 4910 O TYR H 102 -8.299 -24.216 28.985 1.00 22.85 O +ATOM 4911 CB TYR H 102 -5.192 -23.871 28.888 1.00 25.73 C +ATOM 4912 CG TYR H 102 -3.851 -23.167 29.005 1.00 28.16 C +ATOM 4913 CD1 TYR H 102 -3.034 -22.985 27.889 1.00 27.19 C +ATOM 4914 CD2 TYR H 102 -3.414 -22.677 30.229 1.00 27.04 C +ATOM 4915 CE1 TYR H 102 -1.803 -22.317 27.999 1.00 29.58 C +ATOM 4916 CE2 TYR H 102 -2.196 -22.021 30.349 1.00 28.93 C +ATOM 4917 CZ TYR H 102 -1.404 -21.837 29.231 1.00 28.77 C +ATOM 4918 OH TYR H 102 -0.197 -21.192 29.372 1.00 30.30 O +ATOM 4919 H TYR H 102 -7.058 -22.395 30.493 1.00 22.21 H +ATOM 4920 HA TYR H 102 -6.030 -22.308 27.695 1.00 20.88 H +ATOM 4921 HB3 TYR H 102 -5.128 -24.648 28.126 1.00 25.73 H +ATOM 4922 HB2 TYR H 102 -5.415 -24.384 29.824 1.00 25.73 H +ATOM 4923 HD1 TYR H 102 -3.345 -23.360 26.925 1.00 27.19 H +ATOM 4924 HD2 TYR H 102 -4.025 -22.803 31.110 1.00 27.04 H +ATOM 4925 HE1 TYR H 102 -1.181 -22.184 27.126 1.00 29.58 H +ATOM 4926 HE2 TYR H 102 -1.871 -21.657 31.313 1.00 28.93 H +ATOM 4927 HH TYR H 102 0.162 -20.990 28.505 1.00 30.30 H +ATOM 4928 N TRP H 103 -7.831 -23.733 26.833 1.00 20.95 N +ATOM 4929 CA TRP H 103 -9.001 -24.399 26.271 1.00 24.14 C +ATOM 4930 C TRP H 103 -8.550 -25.527 25.362 1.00 23.21 C +ATOM 4931 O TRP H 103 -7.514 -25.424 24.700 1.00 21.06 O +ATOM 4932 CB TRP H 103 -9.827 -23.406 25.430 1.00 22.64 C +ATOM 4933 CG TRP H 103 -10.489 -22.258 26.198 1.00 24.26 C +ATOM 4934 CD1 TRP H 103 -9.856 -21.241 26.872 1.00 20.56 C +ATOM 4935 CD2 TRP H 103 -11.903 -22.010 26.332 1.00 23.35 C +ATOM 4936 NE1 TRP H 103 -10.793 -20.394 27.434 1.00 22.07 N +ATOM 4937 CE2 TRP H 103 -12.053 -20.840 27.121 1.00 24.71 C +ATOM 4938 CE3 TRP H 103 -13.056 -22.686 25.898 1.00 20.61 C +ATOM 4939 CZ2 TRP H 103 -13.318 -20.312 27.459 1.00 20.55 C +ATOM 4940 CZ3 TRP H 103 -14.315 -22.161 26.224 1.00 22.22 C +ATOM 4941 CH2 TRP H 103 -14.433 -20.985 26.997 1.00 23.63 C +ATOM 4942 H TRP H 103 -7.194 -23.293 26.185 1.00 20.95 H +ATOM 4943 HA TRP H 103 -9.617 -24.800 27.076 1.00 24.14 H +ATOM 4944 HB3 TRP H 103 -10.589 -23.953 24.874 1.00 22.64 H +ATOM 4945 HB2 TRP H 103 -9.199 -22.995 24.640 1.00 22.64 H +ATOM 4946 HD1 TRP H 103 -8.777 -21.200 26.899 1.00 20.56 H +ATOM 4947 HE1 TRP H 103 -10.492 -19.596 27.975 1.00 22.07 H +ATOM 4948 HE3 TRP H 103 -12.964 -23.595 25.323 1.00 20.61 H +ATOM 4949 HZ2 TRP H 103 -13.387 -19.415 28.057 1.00 20.55 H +ATOM 4950 HZ3 TRP H 103 -15.212 -22.657 25.883 1.00 22.22 H +ATOM 4951 HH2 TRP H 103 -15.421 -20.614 27.225 1.00 23.63 H +ATOM 4952 N GLY H 104 -9.357 -26.583 25.290 1.00 19.74 N +ATOM 4953 CA GLY H 104 -9.174 -27.610 24.293 1.00 20.99 C +ATOM 4954 C GLY H 104 -9.561 -27.055 22.936 1.00 21.69 C +ATOM 4955 O GLY H 104 -10.092 -25.937 22.832 1.00 19.52 O +ATOM 4956 H GLY H 104 -10.121 -26.680 25.944 1.00 19.74 H +ATOM 4957 HA3 GLY H 104 -9.809 -28.464 24.530 1.00 20.99 H +ATOM 4958 HA2 GLY H 104 -8.128 -27.916 24.275 1.00 20.99 H +ATOM 4959 N GLN H 105 -9.326 -27.849 21.897 1.00 19.40 N +ATOM 4960 CA GLN H 105 -9.569 -27.396 20.523 1.00 20.93 C +ATOM 4961 C GLN H 105 -11.056 -27.492 20.102 1.00 23.37 C +ATOM 4962 O GLN H 105 -11.431 -27.040 19.013 1.00 25.40 O +ATOM 4963 CB GLN H 105 -8.629 -28.142 19.544 1.00 24.81 C +ATOM 4964 CG GLN H 105 -9.104 -29.526 19.038 1.00 24.95 C +ATOM 4965 CD GLN H 105 -8.779 -30.685 19.972 1.00 23.35 C +ATOM 4966 OE1 GLN H 105 -8.524 -30.498 21.159 1.00 24.48 O +ATOM 4967 NE2 GLN H 105 -8.807 -31.903 19.430 1.00 25.16 N +ATOM 4968 H GLN H 105 -8.973 -28.784 22.045 1.00 19.40 H +ATOM 4969 HA GLN H 105 -9.296 -26.342 20.484 1.00 20.93 H +ATOM 4970 HB3 GLN H 105 -7.645 -28.246 20.001 1.00 24.81 H +ATOM 4971 HB2 GLN H 105 -8.420 -27.500 18.688 1.00 24.81 H +ATOM 4972 HG3 GLN H 105 -8.670 -29.720 18.057 1.00 24.95 H +ATOM 4973 HG2 GLN H 105 -10.179 -29.496 18.860 1.00 24.95 H +ATOM 4974 HE22 GLN H 105 -8.601 -32.713 19.997 1.00 25.16 H +ATOM 4975 HE21 GLN H 105 -9.035 -32.016 18.452 1.00 25.16 H +ATOM 4976 N GLY H 106 -11.883 -28.085 20.968 1.00 19.16 N +ATOM 4977 CA GLY H 106 -13.294 -28.299 20.691 1.00 20.27 C +ATOM 4978 C GLY H 106 -13.538 -29.632 20.009 1.00 20.93 C +ATOM 4979 O GLY H 106 -12.679 -30.119 19.252 1.00 20.91 O +ATOM 4980 H GLY H 106 -11.535 -28.407 21.860 1.00 19.16 H +ATOM 4981 HA3 GLY H 106 -13.665 -27.494 20.057 1.00 20.27 H +ATOM 4982 HA2 GLY H 106 -13.857 -28.261 21.624 1.00 20.27 H +ATOM 4983 N THR H 107 -14.704 -30.219 20.293 1.00 18.71 N +ATOM 4984 CA THR H 107 -15.169 -31.453 19.657 1.00 17.66 C +ATOM 4985 C THR H 107 -16.549 -31.196 19.031 1.00 20.49 C +ATOM 4986 O THR H 107 -17.497 -30.794 19.723 1.00 20.26 O +ATOM 4987 CB THR H 107 -15.320 -32.615 20.693 1.00 20.39 C +ATOM 4988 OG1 THR H 107 -14.042 -32.963 21.233 1.00 23.84 O +ATOM 4989 CG2 THR H 107 -15.941 -33.859 20.060 1.00 22.50 C +ATOM 4990 H THR H 107 -15.320 -29.811 20.981 1.00 18.71 H +ATOM 4991 HA THR H 107 -14.466 -31.749 18.879 1.00 17.66 H +ATOM 4992 HB THR H 107 -15.963 -32.278 21.506 1.00 20.39 H +ATOM 4993 HG1 THR H 107 -13.591 -33.558 20.630 1.00 23.84 H +ATOM 4994 HG21 THR H 107 -16.029 -34.644 20.811 1.00 22.50 H +ATOM 4995 HG22 THR H 107 -16.930 -33.615 19.672 1.00 22.50 H +ATOM 4996 HG23 THR H 107 -15.307 -34.207 19.244 1.00 22.50 H +ATOM 4997 N LEU H 108 -16.664 -31.406 17.728 1.00 19.78 N +ATOM 4998 CA LEU H 108 -17.941 -31.166 17.076 1.00 20.31 C +ATOM 4999 C LEU H 108 -18.786 -32.434 17.131 1.00 20.82 C +ATOM 5000 O LEU H 108 -18.375 -33.505 16.644 1.00 18.13 O +ATOM 5001 CB LEU H 108 -17.766 -30.676 15.628 1.00 20.37 C +ATOM 5002 CG LEU H 108 -19.066 -30.429 14.832 1.00 23.13 C +ATOM 5003 CD1 LEU H 108 -19.834 -29.240 15.381 1.00 23.27 C +ATOM 5004 CD2 LEU H 108 -18.785 -30.201 13.363 1.00 23.21 C +ATOM 5005 H LEU H 108 -15.869 -31.730 17.197 1.00 19.78 H +ATOM 5006 HA LEU H 108 -18.463 -30.389 17.634 1.00 20.31 H +ATOM 5007 HB3 LEU H 108 -17.139 -31.382 15.083 1.00 20.37 H +ATOM 5008 HB2 LEU H 108 -17.165 -29.766 15.626 1.00 20.37 H +ATOM 5009 HG LEU H 108 -19.696 -31.314 14.925 1.00 23.13 H +ATOM 5010 HD11 LEU H 108 -20.743 -29.094 14.798 1.00 23.27 H +ATOM 5011 HD12 LEU H 108 -20.096 -29.426 16.422 1.00 23.27 H +ATOM 5012 HD13 LEU H 108 -19.214 -28.346 15.317 1.00 23.27 H +ATOM 5013 HD21 LEU H 108 -19.723 -30.031 12.835 1.00 23.21 H +ATOM 5014 HD22 LEU H 108 -18.140 -29.330 13.247 1.00 23.21 H +ATOM 5015 HD23 LEU H 108 -18.289 -31.078 12.947 1.00 23.21 H +ATOM 5016 N VAL H 109 -19.961 -32.300 17.735 1.00 16.24 N +ATOM 5017 CA VAL H 109 -20.928 -33.400 17.801 1.00 17.12 C +ATOM 5018 C VAL H 109 -22.104 -33.090 16.884 1.00 18.26 C +ATOM 5019 O VAL H 109 -22.744 -32.047 17.041 1.00 19.38 O +ATOM 5020 CB VAL H 109 -21.427 -33.653 19.271 1.00 19.20 C +ATOM 5021 CG1 VAL H 109 -22.499 -34.740 19.319 1.00 24.63 C +ATOM 5022 CG2 VAL H 109 -20.265 -34.010 20.187 1.00 17.99 C +ATOM 5023 H VAL H 109 -20.210 -31.421 18.166 1.00 16.24 H +ATOM 5024 HA VAL H 109 -20.442 -34.307 17.442 1.00 17.12 H +ATOM 5025 HB VAL H 109 -21.871 -32.728 19.638 1.00 19.20 H +ATOM 5026 HG11 VAL H 109 -22.821 -34.889 20.350 1.00 24.63 H +ATOM 5027 HG12 VAL H 109 -23.352 -34.436 18.713 1.00 24.63 H +ATOM 5028 HG13 VAL H 109 -22.090 -35.672 18.929 1.00 24.63 H +ATOM 5029 HG21 VAL H 109 -20.637 -34.180 21.197 1.00 17.99 H +ATOM 5030 HG22 VAL H 109 -19.779 -34.915 19.822 1.00 17.99 H +ATOM 5031 HG23 VAL H 109 -19.546 -33.191 20.198 1.00 17.99 H +ATOM 5032 N THR H 110 -22.382 -33.987 15.930 1.00 16.39 N +ATOM 5033 CA THR H 110 -23.544 -33.878 15.049 1.00 14.86 C +ATOM 5034 C THR H 110 -24.532 -34.998 15.358 1.00 18.27 C +ATOM 5035 O THR H 110 -24.205 -36.185 15.240 1.00 16.63 O +ATOM 5036 CB THR H 110 -23.122 -33.941 13.550 1.00 16.41 C +ATOM 5037 OG1 THR H 110 -22.148 -32.914 13.285 1.00 16.65 O +ATOM 5038 CG2 THR H 110 -24.346 -33.791 12.611 1.00 16.63 C +ATOM 5039 H THR H 110 -21.776 -34.784 15.794 1.00 16.39 H +ATOM 5040 HA THR H 110 -24.033 -32.921 15.234 1.00 14.86 H +ATOM 5041 HB THR H 110 -22.660 -34.910 13.362 1.00 16.41 H +ATOM 5042 HG1 THR H 110 -21.531 -33.222 12.617 1.00 16.65 H +ATOM 5043 HG21 THR H 110 -24.016 -33.839 11.573 1.00 16.63 H +ATOM 5044 HG22 THR H 110 -25.054 -34.597 12.805 1.00 16.63 H +ATOM 5045 HG23 THR H 110 -24.829 -32.831 12.794 1.00 16.63 H +ATOM 5046 N VAL H 111 -25.745 -34.618 15.758 1.00 19.81 N +ATOM 5047 CA VAL H 111 -26.795 -35.589 16.057 1.00 18.66 C +ATOM 5048 C VAL H 111 -27.625 -35.800 14.790 1.00 21.22 C +ATOM 5049 O VAL H 111 -28.250 -34.862 14.276 1.00 21.16 O +ATOM 5050 CB VAL H 111 -27.712 -35.119 17.225 1.00 21.30 C +ATOM 5051 CG1 VAL H 111 -28.800 -36.161 17.498 1.00 21.71 C +ATOM 5052 CG2 VAL H 111 -26.903 -34.869 18.480 1.00 19.35 C +ATOM 5053 H VAL H 111 -25.958 -33.636 15.862 1.00 19.81 H +ATOM 5054 HA VAL H 111 -26.330 -36.535 16.334 1.00 18.66 H +ATOM 5055 HB VAL H 111 -28.193 -34.186 16.932 1.00 21.30 H +ATOM 5056 HG11 VAL H 111 -29.434 -35.820 18.317 1.00 21.71 H +ATOM 5057 HG12 VAL H 111 -29.406 -36.297 16.602 1.00 21.71 H +ATOM 5058 HG13 VAL H 111 -28.336 -37.109 17.770 1.00 21.71 H +ATOM 5059 HG21 VAL H 111 -27.566 -34.542 19.281 1.00 19.35 H +ATOM 5060 HG22 VAL H 111 -26.400 -35.789 18.778 1.00 19.35 H +ATOM 5061 HG23 VAL H 111 -26.160 -34.096 18.286 1.00 19.35 H +ATOM 5062 N SER H 112 -27.604 -37.024 14.274 1.00 19.00 N +ATOM 5063 CA SER H 112 -28.281 -37.330 13.003 1.00 21.89 C +ATOM 5064 C SER H 112 -28.487 -38.816 12.877 1.00 20.34 C +ATOM 5065 O SER H 112 -27.659 -39.594 13.353 1.00 21.53 O +ATOM 5066 CB SER H 112 -27.447 -36.820 11.810 1.00 24.68 C +ATOM 5067 OG SER H 112 -27.977 -37.303 10.576 1.00 23.27 O +ATOM 5068 H SER H 112 -27.117 -37.767 14.755 1.00 19.00 H +ATOM 5069 HA SER H 112 -29.253 -36.836 12.992 1.00 21.89 H +ATOM 5070 HB3 SER H 112 -26.416 -37.156 11.918 1.00 24.68 H +ATOM 5071 HB2 SER H 112 -27.450 -35.730 11.805 1.00 24.68 H +ATOM 5072 HG SER H 112 -28.418 -36.586 10.114 1.00 23.27 H +ATOM 5073 N SER H 113 -29.597 -39.205 12.246 1.00 21.36 N +ATOM 5074 CA SER H 113 -29.892 -40.599 11.922 1.00 23.29 C +ATOM 5075 C SER H 113 -29.272 -41.048 10.586 1.00 24.72 C +ATOM 5076 O SER H 113 -29.301 -42.233 10.254 1.00 26.44 O +ATOM 5077 CB SER H 113 -31.412 -40.845 11.921 1.00 28.80 C +ATOM 5078 OG SER H 113 -32.081 -39.896 11.098 1.00 30.28 O +ATOM 5079 H SER H 113 -30.285 -38.521 11.967 1.00 21.36 H +ATOM 5080 HA SER H 113 -29.460 -41.217 12.709 1.00 23.29 H +ATOM 5081 HB3 SER H 113 -31.792 -40.773 12.940 1.00 28.80 H +ATOM 5082 HB2 SER H 113 -31.617 -41.851 11.555 1.00 28.80 H +ATOM 5083 HG SER H 113 -33.025 -40.068 11.113 1.00 30.28 H +ATOM 5084 N ALA H 114 -28.691 -40.108 9.842 1.00 21.57 N +ATOM 5085 CA ALA H 114 -28.052 -40.417 8.563 1.00 23.17 C +ATOM 5086 C ALA H 114 -26.701 -41.102 8.741 1.00 25.84 C +ATOM 5087 O ALA H 114 -26.004 -40.853 9.719 1.00 26.77 O +ATOM 5088 CB ALA H 114 -27.894 -39.173 7.733 1.00 21.65 C +ATOM 5089 H ALA H 114 -28.683 -39.148 10.157 1.00 21.57 H +ATOM 5090 HA ALA H 114 -28.704 -41.101 8.020 1.00 23.17 H +ATOM 5091 HB1 ALA H 114 -27.417 -39.426 6.786 1.00 21.65 H +ATOM 5092 HB2 ALA H 114 -28.874 -38.737 7.540 1.00 21.65 H +ATOM 5093 HB3 ALA H 114 -27.276 -38.453 8.270 1.00 21.65 H +ATOM 5094 N SER H 115 -26.347 -41.966 7.788 1.00 24.58 N +ATOM 5095 CA SER H 115 -25.075 -42.684 7.820 1.00 26.63 C +ATOM 5096 C SER H 115 -23.937 -41.744 7.480 1.00 23.73 C +ATOM 5097 O SER H 115 -24.117 -40.793 6.711 1.00 22.76 O +ATOM 5098 CB SER H 115 -25.091 -43.860 6.839 1.00 28.87 C +ATOM 5099 OG SER H 115 -26.025 -44.840 7.248 1.00 37.67 O +ATOM 5100 H SER H 115 -26.967 -42.142 7.010 1.00 24.58 H +ATOM 5101 HA SER H 115 -24.918 -43.072 8.827 1.00 26.63 H +ATOM 5102 HB3 SER H 115 -24.097 -44.304 6.789 1.00 28.87 H +ATOM 5103 HB2 SER H 115 -25.355 -43.500 5.845 1.00 28.87 H +ATOM 5104 HG SER H 115 -26.021 -45.568 6.622 1.00 37.67 H +ATOM 5105 N THR H 116 -22.770 -41.985 8.072 1.00 21.39 N +ATOM 5106 CA THR H 116 -21.591 -41.243 7.681 1.00 21.27 C +ATOM 5107 C THR H 116 -21.231 -41.594 6.237 1.00 22.85 C +ATOM 5108 O THR H 116 -21.475 -42.726 5.777 1.00 19.75 O +ATOM 5109 CB THR H 116 -20.368 -41.499 8.616 1.00 20.54 C +ATOM 5110 OG1 THR H 116 -19.367 -40.510 8.366 1.00 21.99 O +ATOM 5111 CG2 THR H 116 -19.775 -42.896 8.418 1.00 19.23 C +ATOM 5112 H THR H 116 -22.706 -42.687 8.796 1.00 21.39 H +ATOM 5113 HA THR H 116 -21.831 -40.181 7.721 1.00 21.27 H +ATOM 5114 HB THR H 116 -20.697 -41.405 9.651 1.00 20.54 H +ATOM 5115 HG1 THR H 116 -19.728 -39.638 8.541 1.00 21.99 H +ATOM 5116 HG21 THR H 116 -18.927 -43.030 9.089 1.00 19.23 H +ATOM 5117 HG22 THR H 116 -20.533 -43.648 8.638 1.00 19.23 H +ATOM 5118 HG23 THR H 116 -19.442 -43.007 7.386 1.00 19.23 H +ATOM 5119 N LYS H 117 -20.681 -40.621 5.522 1.00 19.97 N +ATOM 5120 CA LYS H 117 -20.083 -40.883 4.213 1.00 24.67 C +ATOM 5121 C LYS H 117 -18.722 -40.213 4.122 1.00 21.22 C +ATOM 5122 O LYS H 117 -18.574 -39.032 4.444 1.00 21.51 O +ATOM 5123 CB LYS H 117 -20.986 -40.409 3.068 1.00 25.35 C +ATOM 5124 CG LYS H 117 -20.344 -40.641 1.696 1.00 32.42 C +ATOM 5125 CD LYS H 117 -21.294 -40.370 0.537 1.00 36.25 C +ATOM 5126 CE LYS H 117 -20.629 -40.737 -0.790 1.00 41.14 C +ATOM 5127 NZ LYS H 117 -19.249 -40.150 -0.898 1.00 44.46 N +ATOM 5128 H LYS H 117 -20.669 -39.676 5.879 1.00 19.97 H +ATOM 5129 HA LYS H 117 -19.941 -41.959 4.112 1.00 24.67 H +ATOM 5130 HB3 LYS H 117 -21.202 -39.348 3.192 1.00 25.35 H +ATOM 5131 HB2 LYS H 117 -21.939 -40.936 3.116 1.00 25.35 H +ATOM 5132 HG3 LYS H 117 -19.982 -41.667 1.635 1.00 32.42 H +ATOM 5133 HG2 LYS H 117 -19.462 -40.008 1.597 1.00 32.42 H +ATOM 5134 HD3 LYS H 117 -21.564 -39.314 0.528 1.00 36.25 H +ATOM 5135 HD2 LYS H 117 -22.200 -40.962 0.665 1.00 36.25 H +ATOM 5136 HE3 LYS H 117 -21.242 -40.376 -1.615 1.00 41.14 H +ATOM 5137 HE2 LYS H 117 -20.570 -41.822 -0.878 1.00 41.14 H +ATOM 5138 HZ1 LYS H 117 -19.224 -39.258 -0.424 1.00 44.46 H +ATOM 5139 HZ2 LYS H 117 -18.582 -40.776 -0.471 1.00 44.46 H +ATOM 5140 HZ3 LYS H 117 -19.013 -40.020 -1.871 1.00 44.46 H +ATOM 5141 N GLY H 118 -17.718 -40.975 3.693 1.00 18.11 N +ATOM 5142 CA GLY H 118 -16.374 -40.420 3.528 1.00 21.08 C +ATOM 5143 C GLY H 118 -16.237 -39.668 2.217 1.00 21.28 C +ATOM 5144 O GLY H 118 -16.923 -39.990 1.247 1.00 23.50 O +ATOM 5145 H GLY H 118 -17.879 -41.948 3.477 1.00 18.11 H +ATOM 5146 HA3 GLY H 118 -15.642 -41.227 3.562 1.00 21.08 H +ATOM 5147 HA2 GLY H 118 -16.155 -39.747 4.357 1.00 21.08 H +ATOM 5148 N PRO H 119 -15.340 -38.671 2.175 1.00 23.39 N +ATOM 5149 CA PRO H 119 -15.172 -37.839 0.984 1.00 24.49 C +ATOM 5150 C PRO H 119 -14.336 -38.486 -0.126 1.00 26.48 C +ATOM 5151 O PRO H 119 -13.527 -39.395 0.137 1.00 22.58 O +ATOM 5152 CB PRO H 119 -14.426 -36.616 1.529 1.00 25.28 C +ATOM 5153 CG PRO H 119 -13.606 -37.154 2.663 1.00 21.80 C +ATOM 5154 CD PRO H 119 -14.455 -38.241 3.279 1.00 23.32 C +ATOM 5155 HA PRO H 119 -16.146 -37.541 0.595 1.00 24.49 H +ATOM 5156 HB3 PRO H 119 -15.147 -35.896 1.915 1.00 25.28 H +ATOM 5157 HB2 PRO H 119 -13.763 -36.225 0.758 1.00 25.28 H +ATOM 5158 HG3 PRO H 119 -13.442 -36.365 3.396 1.00 21.80 H +ATOM 5159 HG2 PRO H 119 -12.688 -37.591 2.270 1.00 21.80 H +ATOM 5160 HD2 PRO H 119 -13.816 -39.074 3.574 1.00 23.32 H +ATOM 5161 HD3 PRO H 119 -15.059 -37.816 4.081 1.00 23.32 H +ATOM 5162 N SER H 120 -14.560 -38.021 -1.355 1.00 22.02 N +ATOM 5163 CA SER H 120 -13.650 -38.260 -2.463 1.00 21.43 C +ATOM 5164 C SER H 120 -12.739 -37.037 -2.534 1.00 21.65 C +ATOM 5165 O SER H 120 -13.194 -35.918 -2.325 1.00 29.48 O +ATOM 5166 CB SER H 120 -14.418 -38.384 -3.774 1.00 27.06 C +ATOM 5167 OG SER H 120 -15.288 -39.499 -3.756 1.00 32.66 O +ATOM 5168 H SER H 120 -15.390 -37.478 -1.546 1.00 22.02 H +ATOM 5169 HA SER H 120 -13.062 -39.160 -2.282 1.00 21.43 H +ATOM 5170 HB3 SER H 120 -13.713 -38.487 -4.599 1.00 27.06 H +ATOM 5171 HB2 SER H 120 -14.996 -37.476 -3.943 1.00 27.06 H +ATOM 5172 HG SER H 120 -15.920 -39.401 -3.040 1.00 32.66 H +ATOM 5173 N VAL H 121 -11.462 -37.251 -2.824 1.00 20.63 N +ATOM 5174 CA VAL H 121 -10.500 -36.133 -2.920 1.00 20.41 C +ATOM 5175 C VAL H 121 -9.962 -36.088 -4.344 1.00 25.13 C +ATOM 5176 O VAL H 121 -9.417 -37.098 -4.838 1.00 22.71 O +ATOM 5177 CB VAL H 121 -9.343 -36.254 -1.877 1.00 24.05 C +ATOM 5178 CG1 VAL H 121 -8.376 -35.070 -1.987 1.00 24.74 C +ATOM 5179 CG2 VAL H 121 -9.903 -36.338 -0.455 1.00 25.44 C +ATOM 5180 H VAL H 121 -11.131 -38.192 -2.984 1.00 20.63 H +ATOM 5181 HA VAL H 121 -11.036 -35.204 -2.728 1.00 20.41 H +ATOM 5182 HB VAL H 121 -8.789 -37.170 -2.083 1.00 24.05 H +ATOM 5183 HG11 VAL H 121 -7.581 -35.180 -1.250 1.00 24.74 H +ATOM 5184 HG12 VAL H 121 -7.943 -35.046 -2.987 1.00 24.74 H +ATOM 5185 HG13 VAL H 121 -8.916 -34.141 -1.803 1.00 24.74 H +ATOM 5186 HG21 VAL H 121 -9.081 -36.422 0.256 1.00 25.44 H +ATOM 5187 HG22 VAL H 121 -10.480 -35.439 -0.238 1.00 25.44 H +ATOM 5188 HG23 VAL H 121 -10.547 -37.213 -0.369 1.00 25.44 H +ATOM 5189 N PHE H 122 -10.141 -34.935 -5.000 1.00 21.06 N +ATOM 5190 CA PHE H 122 -9.659 -34.706 -6.374 1.00 21.73 C +ATOM 5191 C PHE H 122 -8.672 -33.552 -6.433 1.00 18.73 C +ATOM 5192 O PHE H 122 -8.834 -32.554 -5.714 1.00 21.80 O +ATOM 5193 CB PHE H 122 -10.818 -34.414 -7.335 1.00 20.75 C +ATOM 5194 CG PHE H 122 -11.890 -35.468 -7.318 1.00 22.11 C +ATOM 5195 CD1 PHE H 122 -11.617 -36.759 -7.771 1.00 22.24 C +ATOM 5196 CD2 PHE H 122 -13.150 -35.184 -6.803 1.00 20.22 C +ATOM 5197 CE1 PHE H 122 -12.594 -37.748 -7.736 1.00 23.99 C +ATOM 5198 CE2 PHE H 122 -14.133 -36.169 -6.769 1.00 21.35 C +ATOM 5199 CZ PHE H 122 -13.851 -37.448 -7.240 1.00 20.81 C +ATOM 5200 H PHE H 122 -10.627 -34.170 -4.554 1.00 21.06 H +ATOM 5201 HA PHE H 122 -9.151 -35.609 -6.714 1.00 21.73 H +ATOM 5202 HB3 PHE H 122 -10.430 -34.309 -8.348 1.00 20.75 H +ATOM 5203 HB2 PHE H 122 -11.257 -33.447 -7.089 1.00 20.75 H +ATOM 5204 HD1 PHE H 122 -10.637 -37.001 -8.155 1.00 22.24 H +ATOM 5205 HD2 PHE H 122 -13.370 -34.196 -6.427 1.00 20.22 H +ATOM 5206 HE1 PHE H 122 -12.369 -38.742 -8.094 1.00 23.99 H +ATOM 5207 HE2 PHE H 122 -15.113 -35.940 -6.377 1.00 21.35 H +ATOM 5208 HZ PHE H 122 -14.618 -38.208 -7.217 1.00 20.81 H +ATOM 5209 N PRO H 123 -7.651 -33.664 -7.302 1.00 21.85 N +ATOM 5210 CA PRO H 123 -6.672 -32.586 -7.419 1.00 21.01 C +ATOM 5211 C PRO H 123 -7.227 -31.367 -8.175 1.00 22.70 C +ATOM 5212 O PRO H 123 -8.045 -31.516 -9.100 1.00 20.66 O +ATOM 5213 CB PRO H 123 -5.530 -33.247 -8.210 1.00 23.32 C +ATOM 5214 CG PRO H 123 -6.253 -34.261 -9.082 1.00 25.64 C +ATOM 5215 CD PRO H 123 -7.348 -34.797 -8.209 1.00 25.28 C +ATOM 5216 HA PRO H 123 -6.321 -32.288 -6.431 1.00 21.01 H +ATOM 5217 HB3 PRO H 123 -4.871 -33.772 -7.519 1.00 23.32 H +ATOM 5218 HB2 PRO H 123 -5.054 -32.501 -8.846 1.00 23.32 H +ATOM 5219 HG3 PRO H 123 -5.568 -35.069 -9.340 1.00 25.64 H +ATOM 5220 HG2 PRO H 123 -6.692 -33.752 -9.940 1.00 25.64 H +ATOM 5221 HD2 PRO H 123 -8.224 -35.012 -8.821 1.00 25.28 H +ATOM 5222 HD3 PRO H 123 -6.965 -35.634 -7.624 1.00 25.28 H +ATOM 5223 N LEU H 124 -6.812 -30.176 -7.754 1.00 21.77 N +ATOM 5224 CA LEU H 124 -7.013 -28.951 -8.536 1.00 19.59 C +ATOM 5225 C LEU H 124 -5.617 -28.548 -9.025 1.00 19.94 C +ATOM 5226 O LEU H 124 -4.875 -27.873 -8.329 1.00 20.37 O +ATOM 5227 CB LEU H 124 -7.657 -27.851 -7.687 1.00 19.64 C +ATOM 5228 CG LEU H 124 -9.074 -28.135 -7.171 1.00 20.51 C +ATOM 5229 CD1 LEU H 124 -9.445 -27.106 -6.111 1.00 21.09 C +ATOM 5230 CD2 LEU H 124 -10.103 -28.111 -8.330 1.00 24.84 C +ATOM 5231 H LEU H 124 -6.339 -30.091 -6.866 1.00 21.77 H +ATOM 5232 HA LEU H 124 -7.650 -29.168 -9.394 1.00 19.59 H +ATOM 5233 HB3 LEU H 124 -7.660 -26.918 -8.250 1.00 19.64 H +ATOM 5234 HB2 LEU H 124 -7.007 -27.621 -6.843 1.00 19.64 H +ATOM 5235 HG LEU H 124 -9.087 -29.125 -6.715 1.00 20.51 H +ATOM 5236 HD11 LEU H 124 -10.452 -27.308 -5.745 1.00 21.09 H +ATOM 5237 HD12 LEU H 124 -8.739 -27.166 -5.283 1.00 21.09 H +ATOM 5238 HD13 LEU H 124 -9.411 -26.107 -6.546 1.00 21.09 H +ATOM 5239 HD21 LEU H 124 -11.099 -28.315 -7.937 1.00 24.84 H +ATOM 5240 HD22 LEU H 124 -10.094 -27.129 -8.804 1.00 24.84 H +ATOM 5241 HD23 LEU H 124 -9.840 -28.871 -9.065 1.00 24.84 H +ATOM 5242 N ALA H 125 -5.255 -29.038 -10.203 1.00 21.86 N +ATOM 5243 CA ALA H 125 -3.877 -28.961 -10.676 1.00 24.09 C +ATOM 5244 C ALA H 125 -3.475 -27.533 -11.045 1.00 21.30 C +ATOM 5245 O ALA H 125 -4.263 -26.787 -11.635 1.00 21.59 O +ATOM 5246 CB ALA H 125 -3.660 -29.914 -11.877 1.00 23.09 C +ATOM 5247 H ALA H 125 -5.941 -29.479 -10.799 1.00 21.86 H +ATOM 5248 HA ALA H 125 -3.227 -29.292 -9.866 1.00 24.09 H +ATOM 5249 HB1 ALA H 125 -2.626 -29.843 -12.216 1.00 23.09 H +ATOM 5250 HB2 ALA H 125 -3.872 -30.939 -11.571 1.00 23.09 H +ATOM 5251 HB3 ALA H 125 -4.329 -29.632 -12.690 1.00 23.09 H +ATOM 5252 N PRO H 126 -2.235 -27.146 -10.706 1.00 23.26 N +ATOM 5253 CA PRO H 126 -1.796 -25.865 -11.261 1.00 23.74 C +ATOM 5254 C PRO H 126 -1.640 -26.067 -12.774 1.00 29.39 C +ATOM 5255 O PRO H 126 -1.084 -27.080 -13.204 1.00 30.36 O +ATOM 5256 CB PRO H 126 -0.433 -25.621 -10.585 1.00 24.79 C +ATOM 5257 CG PRO H 126 0.061 -26.989 -10.185 1.00 25.80 C +ATOM 5258 CD PRO H 126 -1.185 -27.823 -9.913 1.00 24.07 C +ATOM 5259 HA PRO H 126 -2.503 -25.067 -11.035 1.00 23.74 H +ATOM 5260 HB3 PRO H 126 -0.576 -25.013 -9.692 1.00 24.79 H +ATOM 5261 HB2 PRO H 126 0.256 -25.185 -11.308 1.00 24.79 H +ATOM 5262 HG3 PRO H 126 0.649 -26.909 -9.271 1.00 25.80 H +ATOM 5263 HG2 PRO H 126 0.618 -27.429 -11.012 1.00 25.80 H +ATOM 5264 HD2 PRO H 126 -1.035 -28.831 -10.300 1.00 24.07 H +ATOM 5265 HD3 PRO H 126 -1.436 -27.760 -8.854 1.00 24.07 H +ATOM 5266 N SER H 127 -2.175 -25.140 -13.563 1.00 33.83 N +ATOM 5267 CA SER H 127 -2.068 -25.199 -15.026 1.00 39.30 C +ATOM 5268 C SER H 127 -1.855 -23.796 -15.564 1.00 40.61 C +ATOM 5269 O SER H 127 -1.755 -22.843 -14.792 1.00 39.27 O +ATOM 5270 CB SER H 127 -3.341 -25.793 -15.649 1.00 42.23 C +ATOM 5271 OG SER H 127 -4.383 -24.827 -15.721 1.00 39.64 O +ATOM 5272 H SER H 127 -2.676 -24.361 -13.160 1.00 33.83 H +ATOM 5273 HA SER H 127 -1.214 -25.820 -15.297 1.00 39.30 H +ATOM 5274 HB3 SER H 127 -3.674 -26.642 -15.053 1.00 42.23 H +ATOM 5275 HB2 SER H 127 -3.117 -26.161 -16.650 1.00 42.23 H +ATOM 5276 HG SER H 127 -5.234 -25.272 -15.711 1.00 39.64 H +ATOM 5277 N SER H 128 -1.828 -23.663 -16.889 1.00 43.84 N +ATOM 5278 CA SER H 128 -1.733 -22.343 -17.513 1.00 45.57 C +ATOM 5279 C SER H 128 -2.991 -21.476 -17.314 1.00 43.50 C +ATOM 5280 O SER H 128 -2.973 -20.283 -17.631 1.00 44.63 O +ATOM 5281 CB SER H 128 -1.397 -22.470 -18.999 1.00 48.42 C +ATOM 5282 OG SER H 128 -0.810 -21.271 -19.463 1.00 54.24 O +ATOM 5283 H SER H 128 -1.873 -24.481 -17.480 1.00 43.84 H +ATOM 5284 HA SER H 128 -0.903 -21.821 -17.038 1.00 45.57 H +ATOM 5285 HB3 SER H 128 -2.309 -22.669 -19.562 1.00 48.42 H +ATOM 5286 HB2 SER H 128 -0.700 -23.295 -19.144 1.00 48.42 H +ATOM 5287 HG SER H 128 -1.425 -20.544 -19.338 1.00 54.24 H +ATOM 5288 N LYS H 129 -4.062 -22.077 -16.781 1.00 39.99 N +ATOM 5289 CA LYS H 129 -5.330 -21.366 -16.489 1.00 38.60 C +ATOM 5290 C LYS H 129 -5.431 -20.922 -15.015 1.00 36.23 C +ATOM 5291 O LYS H 129 -6.409 -20.239 -14.595 1.00 23.62 O +ATOM 5292 CB LYS H 129 -6.543 -22.227 -16.877 1.00 41.32 C +ATOM 5293 CG LYS H 129 -6.608 -22.649 -18.351 1.00 43.96 C +ATOM 5294 CD LYS H 129 -6.534 -21.464 -19.314 1.00 48.66 C +ATOM 5295 CE LYS H 129 -6.373 -21.943 -20.752 1.00 52.87 C +ATOM 5296 NZ LYS H 129 -6.147 -20.813 -21.692 1.00 56.28 N +ATOM 5297 H LYS H 129 -4.030 -23.062 -16.558 1.00 39.99 H +ATOM 5298 HA LYS H 129 -5.353 -20.468 -17.106 1.00 38.60 H +ATOM 5299 HB3 LYS H 129 -7.459 -21.698 -16.613 1.00 41.32 H +ATOM 5300 HB2 LYS H 129 -6.570 -23.116 -16.246 1.00 41.32 H +ATOM 5301 HG3 LYS H 129 -7.530 -23.203 -18.529 1.00 43.96 H +ATOM 5302 HG2 LYS H 129 -5.794 -23.341 -18.566 1.00 43.96 H +ATOM 5303 HD3 LYS H 129 -5.689 -20.831 -19.046 1.00 48.66 H +ATOM 5304 HD2 LYS H 129 -7.444 -20.870 -19.229 1.00 48.66 H +ATOM 5305 HE3 LYS H 129 -7.265 -22.492 -21.053 1.00 52.87 H +ATOM 5306 HE2 LYS H 129 -5.535 -22.637 -20.811 1.00 52.87 H +ATOM 5307 HZ1 LYS H 129 -5.307 -20.318 -21.428 1.00 56.28 H +ATOM 5308 HZ2 LYS H 129 -6.046 -21.171 -22.631 1.00 56.28 H +ATOM 5309 HZ3 LYS H 129 -6.935 -20.182 -21.656 1.00 56.28 H +ATOM 5310 N SER H 130 -4.416 -21.317 -14.237 1.00 36.70 N +ATOM 5311 CA SER H 130 -4.289 -20.887 -12.843 1.00 35.48 C +ATOM 5312 C SER H 130 -2.926 -20.221 -12.495 1.00 41.19 C +ATOM 5313 O SER H 130 -2.283 -20.591 -11.500 1.00 38.35 O +ATOM 5314 CB SER H 130 -4.685 -22.019 -11.860 1.00 39.35 C +ATOM 5315 OG SER H 130 -3.928 -23.204 -12.031 1.00 35.78 O +ATOM 5316 H SER H 130 -3.705 -21.932 -14.607 1.00 36.70 H +ATOM 5317 HA SER H 130 -5.038 -20.107 -12.708 1.00 35.48 H +ATOM 5318 HB3 SER H 130 -5.744 -22.246 -11.978 1.00 39.35 H +ATOM 5319 HB2 SER H 130 -4.574 -21.664 -10.836 1.00 39.35 H +ATOM 5320 HG SER H 130 -3.219 -23.228 -11.384 1.00 35.78 H +ATOM 5321 N THR H 131 -2.538 -19.214 -13.299 1.00 43.18 N +ATOM 5322 CA THR H 131 -1.337 -18.356 -13.063 1.00 46.37 C +ATOM 5323 C THR H 131 -1.581 -16.818 -13.062 1.00 46.12 C +ATOM 5324 O THR H 131 -2.293 -16.282 -13.921 1.00 48.55 O +ATOM 5325 CB THR H 131 -0.187 -18.686 -14.039 1.00 48.36 C +ATOM 5326 OG1 THR H 131 0.935 -17.830 -13.769 1.00 49.67 O +ATOM 5327 CG2 THR H 131 -0.631 -18.513 -15.488 1.00 45.03 C +ATOM 5328 H THR H 131 -3.072 -18.995 -14.128 1.00 43.18 H +ATOM 5329 HA THR H 131 -0.973 -18.608 -12.067 1.00 46.37 H +ATOM 5330 HB THR H 131 0.117 -19.722 -13.886 1.00 48.36 H +ATOM 5331 HG1 THR H 131 1.037 -17.725 -12.820 1.00 49.67 H +ATOM 5332 HG21 THR H 131 0.198 -18.752 -16.154 1.00 45.03 H +ATOM 5333 HG22 THR H 131 -1.467 -19.182 -15.695 1.00 45.03 H +ATOM 5334 HG23 THR H 131 -0.943 -17.482 -15.652 1.00 45.03 H +ATOM 5335 N SER H 132 -0.949 -16.121 -12.113 1.00 39.67 N +ATOM 5336 CA SER H 132 -1.260 -14.720 -11.806 1.00 36.01 C +ATOM 5337 C SER H 132 -0.052 -13.961 -11.231 1.00 34.29 C +ATOM 5338 O SER H 132 0.311 -14.141 -10.073 1.00 28.59 O +ATOM 5339 CB SER H 132 -2.444 -14.649 -10.827 1.00 37.37 C +ATOM 5340 OG SER H 132 -2.699 -13.325 -10.384 1.00 39.81 O +ATOM 5341 H SER H 132 -0.219 -16.557 -11.568 1.00 39.67 H +ATOM 5342 HA SER H 132 -1.558 -14.229 -12.733 1.00 36.01 H +ATOM 5343 HB3 SER H 132 -2.241 -15.286 -9.966 1.00 37.37 H +ATOM 5344 HB2 SER H 132 -3.337 -15.048 -11.308 1.00 37.37 H +ATOM 5345 HG SER H 132 -3.254 -13.350 -9.601 1.00 39.81 H +ATOM 5346 N GLY H 133 0.558 -13.103 -12.044 1.00 33.90 N +ATOM 5347 CA GLY H 133 1.740 -12.340 -11.632 1.00 30.90 C +ATOM 5348 C GLY H 133 2.912 -13.213 -11.196 1.00 23.70 C +ATOM 5349 O GLY H 133 3.586 -12.886 -10.228 1.00 25.31 O +ATOM 5350 H GLY H 133 0.209 -12.959 -12.981 1.00 33.90 H +ATOM 5351 HA3 GLY H 133 1.470 -11.665 -10.820 1.00 30.90 H +ATOM 5352 HA2 GLY H 133 2.056 -11.693 -12.450 1.00 30.90 H +ATOM 5353 N GLY H 134 3.133 -14.325 -11.898 1.00 23.43 N +ATOM 5354 CA GLY H 134 4.195 -15.295 -11.557 1.00 19.99 C +ATOM 5355 C GLY H 134 3.846 -16.275 -10.430 1.00 20.69 C +ATOM 5356 O GLY H 134 4.713 -16.999 -9.928 1.00 22.19 O +ATOM 5357 H GLY H 134 2.561 -14.536 -12.704 1.00 23.43 H +ATOM 5358 HA3 GLY H 134 5.106 -14.756 -11.296 1.00 19.99 H +ATOM 5359 HA2 GLY H 134 4.471 -15.856 -12.450 1.00 19.99 H +ATOM 5360 N THR H 135 2.592 -16.295 -10.009 1.00 21.96 N +ATOM 5361 CA THR H 135 2.139 -17.255 -8.986 1.00 21.68 C +ATOM 5362 C THR H 135 1.202 -18.272 -9.629 1.00 26.90 C +ATOM 5363 O THR H 135 0.602 -17.993 -10.668 1.00 25.16 O +ATOM 5364 CB THR H 135 1.432 -16.564 -7.803 1.00 27.93 C +ATOM 5365 OG1 THR H 135 0.185 -16.017 -8.239 1.00 27.71 O +ATOM 5366 CG2 THR H 135 2.297 -15.448 -7.237 1.00 25.84 C +ATOM 5367 H THR H 135 1.921 -15.643 -10.390 1.00 21.96 H +ATOM 5368 HA THR H 135 3.011 -17.785 -8.603 1.00 21.68 H +ATOM 5369 HB THR H 135 1.244 -17.300 -7.021 1.00 27.93 H +ATOM 5370 HG1 THR H 135 0.343 -15.374 -8.934 1.00 27.71 H +ATOM 5371 HG21 THR H 135 1.779 -14.974 -6.403 1.00 25.84 H +ATOM 5372 HG22 THR H 135 3.243 -15.862 -6.888 1.00 25.84 H +ATOM 5373 HG23 THR H 135 2.489 -14.707 -8.013 1.00 25.84 H +ATOM 5374 N ALA H 136 1.100 -19.452 -9.023 1.00 20.57 N +ATOM 5375 CA ALA H 136 0.217 -20.491 -9.495 1.00 20.33 C +ATOM 5376 C ALA H 136 -0.660 -20.859 -8.330 1.00 23.52 C +ATOM 5377 O ALA H 136 -0.209 -20.850 -7.177 1.00 24.34 O +ATOM 5378 CB ALA H 136 1.028 -21.719 -9.977 1.00 20.29 C +ATOM 5379 H ALA H 136 1.653 -19.647 -8.201 1.00 20.57 H +ATOM 5380 HA ALA H 136 -0.396 -20.111 -10.312 1.00 20.33 H +ATOM 5381 HB1 ALA H 136 0.344 -22.491 -10.329 1.00 20.29 H +ATOM 5382 HB2 ALA H 136 1.689 -21.422 -10.791 1.00 20.29 H +ATOM 5383 HB3 ALA H 136 1.622 -22.110 -9.151 1.00 20.29 H +ATOM 5384 N ALA H 137 -1.913 -21.177 -8.621 1.00 21.46 N +ATOM 5385 CA ALA H 137 -2.807 -21.684 -7.595 1.00 17.95 C +ATOM 5386 C ALA H 137 -3.041 -23.166 -7.831 1.00 19.75 C +ATOM 5387 O ALA H 137 -3.105 -23.633 -8.983 1.00 19.22 O +ATOM 5388 CB ALA H 137 -4.110 -20.899 -7.570 1.00 16.16 C +ATOM 5389 H ALA H 137 -2.256 -21.068 -9.565 1.00 21.46 H +ATOM 5390 HA ALA H 137 -2.319 -21.565 -6.628 1.00 17.95 H +ATOM 5391 HB1 ALA H 137 -4.761 -21.299 -6.793 1.00 16.16 H +ATOM 5392 HB2 ALA H 137 -3.899 -19.850 -7.362 1.00 16.16 H +ATOM 5393 HB3 ALA H 137 -4.605 -20.984 -8.537 1.00 16.16 H +ATOM 5394 N LEU H 138 -3.120 -23.915 -6.733 1.00 19.89 N +ATOM 5395 CA LEU H 138 -3.421 -25.342 -6.802 1.00 19.26 C +ATOM 5396 C LEU H 138 -4.246 -25.717 -5.591 1.00 21.19 C +ATOM 5397 O LEU H 138 -4.378 -24.922 -4.659 1.00 19.54 O +ATOM 5398 CB LEU H 138 -2.138 -26.179 -6.887 1.00 19.72 C +ATOM 5399 CG LEU H 138 -1.114 -26.018 -5.753 1.00 21.49 C +ATOM 5400 CD1 LEU H 138 -1.294 -27.136 -4.733 1.00 24.20 C +ATOM 5401 CD2 LEU H 138 0.310 -26.013 -6.295 1.00 26.05 C +ATOM 5402 H LEU H 138 -2.970 -23.498 -5.825 1.00 19.89 H +ATOM 5403 HA LEU H 138 -4.015 -25.528 -7.697 1.00 19.26 H +ATOM 5404 HB3 LEU H 138 -1.648 -25.987 -7.842 1.00 19.72 H +ATOM 5405 HB2 LEU H 138 -2.403 -27.232 -6.983 1.00 19.72 H +ATOM 5406 HG LEU H 138 -1.297 -25.065 -5.256 1.00 21.49 H +ATOM 5407 HD11 LEU H 138 -0.566 -27.017 -3.931 1.00 24.20 H +ATOM 5408 HD12 LEU H 138 -2.301 -27.091 -4.318 1.00 24.20 H +ATOM 5409 HD13 LEU H 138 -1.144 -28.100 -5.219 1.00 24.20 H +ATOM 5410 HD21 LEU H 138 1.013 -25.898 -5.470 1.00 26.05 H +ATOM 5411 HD22 LEU H 138 0.506 -26.953 -6.810 1.00 26.05 H +ATOM 5412 HD23 LEU H 138 0.431 -25.185 -6.993 1.00 26.05 H +ATOM 5413 N GLY H 139 -4.821 -26.912 -5.597 1.00 18.46 N +ATOM 5414 CA GLY H 139 -5.578 -27.315 -4.424 1.00 20.63 C +ATOM 5415 C GLY H 139 -6.150 -28.708 -4.474 1.00 16.36 C +ATOM 5416 O GLY H 139 -5.729 -29.546 -5.275 1.00 17.07 O +ATOM 5417 H GLY H 139 -4.726 -27.514 -6.402 1.00 18.46 H +ATOM 5418 HA3 GLY H 139 -6.383 -26.601 -4.252 1.00 20.63 H +ATOM 5419 HA2 GLY H 139 -4.951 -27.215 -3.538 1.00 20.63 H +ATOM 5420 N CYS H 140 -7.127 -28.947 -3.597 1.00 18.48 N +ATOM 5421 CA CYS H 140 -7.830 -30.219 -3.547 1.00 19.02 C +ATOM 5422 C CYS H 140 -9.298 -29.932 -3.378 1.00 21.69 C +ATOM 5423 O CYS H 140 -9.666 -29.071 -2.582 1.00 20.66 O +ATOM 5424 CB CYS H 140 -7.324 -31.103 -2.392 1.00 22.82 C +ATOM 5425 SG CYS H 140 -5.724 -31.868 -2.770 1.00 25.88 S +ATOM 5426 H CYS H 140 -7.401 -28.232 -2.938 1.00 18.48 H +ATOM 5427 HA CYS H 140 -7.678 -30.745 -4.489 1.00 19.02 H +ATOM 5428 HB3 CYS H 140 -8.058 -31.882 -2.183 1.00 22.82 H +ATOM 5429 HB2 CYS H 140 -7.233 -30.501 -1.488 1.00 22.82 H +ATOM 5430 N LEU H 141 -10.108 -30.656 -4.142 1.00 21.31 N +ATOM 5431 CA LEU H 141 -11.549 -30.657 -3.993 1.00 23.04 C +ATOM 5432 C LEU H 141 -11.949 -31.859 -3.133 1.00 21.37 C +ATOM 5433 O LEU H 141 -11.621 -33.016 -3.447 1.00 24.72 O +ATOM 5434 CB LEU H 141 -12.203 -30.729 -5.376 1.00 22.90 C +ATOM 5435 CG LEU H 141 -13.727 -30.834 -5.403 1.00 22.86 C +ATOM 5436 CD1 LEU H 141 -14.384 -29.581 -4.822 1.00 22.65 C +ATOM 5437 CD2 LEU H 141 -14.207 -31.092 -6.830 1.00 23.41 C +ATOM 5438 H LEU H 141 -9.725 -31.243 -4.870 1.00 21.31 H +ATOM 5439 HA LEU H 141 -11.860 -29.739 -3.495 1.00 23.04 H +ATOM 5440 HB3 LEU H 141 -11.776 -31.563 -5.932 1.00 22.90 H +ATOM 5441 HB2 LEU H 141 -11.892 -29.867 -5.966 1.00 22.90 H +ATOM 5442 HG LEU H 141 -14.019 -31.686 -4.788 1.00 22.86 H +ATOM 5443 HD11 LEU H 141 -15.468 -29.689 -4.857 1.00 22.65 H +ATOM 5444 HD12 LEU H 141 -14.065 -29.449 -3.788 1.00 22.65 H +ATOM 5445 HD13 LEU H 141 -14.088 -28.710 -5.407 1.00 22.65 H +ATOM 5446 HD21 LEU H 141 -15.294 -31.166 -6.840 1.00 23.41 H +ATOM 5447 HD22 LEU H 141 -13.893 -30.270 -7.474 1.00 23.41 H +ATOM 5448 HD23 LEU H 141 -13.777 -32.024 -7.196 1.00 23.41 H +ATOM 5449 N VAL H 142 -12.646 -31.582 -2.038 1.00 20.67 N +ATOM 5450 CA VAL H 142 -13.053 -32.629 -1.099 1.00 23.46 C +ATOM 5451 C VAL H 142 -14.575 -32.747 -1.170 1.00 22.02 C +ATOM 5452 O VAL H 142 -15.293 -31.909 -0.629 1.00 24.46 O +ATOM 5453 CB VAL H 142 -12.574 -32.324 0.331 1.00 25.95 C +ATOM 5454 CG1 VAL H 142 -12.950 -33.459 1.275 1.00 24.11 C +ATOM 5455 CG2 VAL H 142 -11.049 -32.078 0.347 1.00 22.39 C +ATOM 5456 H VAL H 142 -12.909 -30.628 -1.835 1.00 20.67 H +ATOM 5457 HA VAL H 142 -12.615 -33.574 -1.419 1.00 23.46 H +ATOM 5458 HB VAL H 142 -13.071 -31.416 0.672 1.00 25.95 H +ATOM 5459 HG11 VAL H 142 -12.603 -33.225 2.281 1.00 24.11 H +ATOM 5460 HG12 VAL H 142 -14.033 -33.581 1.284 1.00 24.11 H +ATOM 5461 HG13 VAL H 142 -12.483 -34.384 0.936 1.00 24.11 H +ATOM 5462 HG21 VAL H 142 -10.726 -31.864 1.366 1.00 22.39 H +ATOM 5463 HG22 VAL H 142 -10.533 -32.966 -0.018 1.00 22.39 H +ATOM 5464 HG23 VAL H 142 -10.810 -31.230 -0.295 1.00 22.39 H +ATOM 5465 N LYS H 143 -15.044 -33.776 -1.868 1.00 21.67 N +ATOM 5466 CA LYS H 143 -16.440 -33.847 -2.283 1.00 23.32 C +ATOM 5467 C LYS H 143 -17.240 -34.994 -1.651 1.00 25.31 C +ATOM 5468 O LYS H 143 -16.742 -36.117 -1.524 1.00 23.72 O +ATOM 5469 CB LYS H 143 -16.506 -33.954 -3.820 1.00 26.67 C +ATOM 5470 CG LYS H 143 -17.935 -33.784 -4.387 1.00 29.51 C +ATOM 5471 CD LYS H 143 -17.982 -33.717 -5.911 1.00 31.12 C +ATOM 5472 CE LYS H 143 -19.436 -33.521 -6.415 1.00 34.89 C +ATOM 5473 NZ LYS H 143 -20.278 -34.746 -6.306 1.00 41.99 N +ATOM 5474 H LYS H 143 -14.429 -34.535 -2.124 1.00 21.67 H +ATOM 5475 HA LYS H 143 -16.919 -32.911 -1.995 1.00 23.32 H +ATOM 5476 HB3 LYS H 143 -16.105 -34.918 -4.133 1.00 26.67 H +ATOM 5477 HB2 LYS H 143 -15.849 -33.205 -4.263 1.00 26.67 H +ATOM 5478 HG3 LYS H 143 -18.384 -32.882 -3.971 1.00 29.51 H +ATOM 5479 HG2 LYS H 143 -18.561 -34.606 -4.042 1.00 29.51 H +ATOM 5480 HD3 LYS H 143 -17.575 -34.638 -6.327 1.00 31.12 H +ATOM 5481 HD2 LYS H 143 -17.363 -32.889 -6.257 1.00 31.12 H +ATOM 5482 HE3 LYS H 143 -19.417 -33.186 -7.452 1.00 34.89 H +ATOM 5483 HE2 LYS H 143 -19.905 -32.709 -5.859 1.00 34.89 H +ATOM 5484 HZ1 LYS H 143 -20.516 -34.906 -5.338 1.00 41.99 H +ATOM 5485 HZ2 LYS H 143 -21.124 -34.623 -6.844 1.00 41.99 H +ATOM 5486 HZ3 LYS H 143 -19.765 -35.540 -6.662 1.00 41.99 H +ATOM 5487 N ASP H 144 -18.487 -34.696 -1.288 1.00 22.95 N +ATOM 5488 CA ASP H 144 -19.496 -35.701 -0.931 1.00 23.66 C +ATOM 5489 C ASP H 144 -19.210 -36.407 0.380 1.00 25.43 C +ATOM 5490 O ASP H 144 -18.991 -37.611 0.393 1.00 25.67 O +ATOM 5491 CB ASP H 144 -19.646 -36.739 -2.060 1.00 22.97 C +ATOM 5492 CG ASP H 144 -20.320 -36.171 -3.276 1.00 25.67 C +ATOM 5493 OD1 ASP H 144 -20.931 -35.088 -3.165 1.00 25.68 O +ATOM 5494 OD2 ASP H 144 -20.245 -36.813 -4.343 1.00 31.05 O +ATOM 5495 H ASP H 144 -18.784 -33.732 -1.247 1.00 22.95 H +ATOM 5496 HA ASP H 144 -20.451 -35.187 -0.827 1.00 23.66 H +ATOM 5497 HB3 ASP H 144 -20.217 -37.592 -1.694 1.00 22.97 H +ATOM 5498 HB2 ASP H 144 -18.662 -37.120 -2.335 1.00 22.97 H +ATOM 5499 N TYR H 145 -19.197 -35.650 1.474 1.00 21.08 N +ATOM 5500 CA TYR H 145 -19.022 -36.248 2.807 1.00 21.43 C +ATOM 5501 C TYR H 145 -20.108 -35.848 3.800 1.00 19.90 C +ATOM 5502 O TYR H 145 -20.815 -34.850 3.598 1.00 19.70 O +ATOM 5503 CB TYR H 145 -17.640 -35.929 3.370 1.00 21.50 C +ATOM 5504 CG TYR H 145 -17.377 -34.458 3.619 1.00 18.26 C +ATOM 5505 CD1 TYR H 145 -16.852 -33.636 2.609 1.00 20.84 C +ATOM 5506 CD2 TYR H 145 -17.639 -33.884 4.868 1.00 15.67 C +ATOM 5507 CE1 TYR H 145 -16.602 -32.271 2.837 1.00 20.06 C +ATOM 5508 CE2 TYR H 145 -17.382 -32.520 5.116 1.00 18.95 C +ATOM 5509 CZ TYR H 145 -16.870 -31.718 4.089 1.00 23.24 C +ATOM 5510 OH TYR H 145 -16.594 -30.376 4.324 1.00 20.72 O +ATOM 5511 H TYR H 145 -19.308 -34.649 1.397 1.00 21.08 H +ATOM 5512 HA TYR H 145 -19.079 -37.330 2.685 1.00 21.43 H +ATOM 5513 HB3 TYR H 145 -16.877 -36.323 2.699 1.00 21.50 H +ATOM 5514 HB2 TYR H 145 -17.491 -36.484 4.296 1.00 21.50 H +ATOM 5515 HD1 TYR H 145 -16.633 -34.050 1.636 1.00 20.84 H +ATOM 5516 HD2 TYR H 145 -18.046 -34.488 5.665 1.00 15.67 H +ATOM 5517 HE1 TYR H 145 -16.204 -31.655 2.044 1.00 20.06 H +ATOM 5518 HE2 TYR H 145 -17.580 -32.102 6.092 1.00 18.95 H +ATOM 5519 HH TYR H 145 -16.441 -29.929 3.488 1.00 20.72 H +ATOM 5520 N PHE H 146 -20.250 -36.647 4.862 1.00 18.02 N +ATOM 5521 CA PHE H 146 -21.211 -36.357 5.922 1.00 18.66 C +ATOM 5522 C PHE H 146 -20.790 -37.064 7.211 1.00 16.95 C +ATOM 5523 O PHE H 146 -20.379 -38.222 7.148 1.00 20.47 O +ATOM 5524 CB PHE H 146 -22.631 -36.789 5.526 1.00 20.51 C +ATOM 5525 CG PHE H 146 -23.653 -36.407 6.553 1.00 21.32 C +ATOM 5526 CD1 PHE H 146 -24.168 -35.107 6.579 1.00 20.95 C +ATOM 5527 CD2 PHE H 146 -24.037 -37.314 7.547 1.00 22.55 C +ATOM 5528 CE1 PHE H 146 -25.080 -34.714 7.558 1.00 21.33 C +ATOM 5529 CE2 PHE H 146 -24.966 -36.933 8.532 1.00 22.03 C +ATOM 5530 CZ PHE H 146 -25.476 -35.630 8.532 1.00 23.29 C +ATOM 5531 H PHE H 146 -19.683 -37.479 4.948 1.00 18.02 H +ATOM 5532 HA PHE H 146 -21.214 -35.282 6.102 1.00 18.66 H +ATOM 5533 HB3 PHE H 146 -22.653 -37.869 5.377 1.00 20.51 H +ATOM 5534 HB2 PHE H 146 -22.893 -36.338 4.569 1.00 20.51 H +ATOM 5535 HD1 PHE H 146 -23.860 -34.389 5.833 1.00 20.95 H +ATOM 5536 HD2 PHE H 146 -23.620 -38.310 7.559 1.00 22.55 H +ATOM 5537 HE1 PHE H 146 -25.473 -33.708 7.557 1.00 21.33 H +ATOM 5538 HE2 PHE H 146 -25.281 -37.644 9.281 1.00 22.03 H +ATOM 5539 HZ PHE H 146 -26.182 -35.336 9.295 1.00 23.29 H +ATOM 5540 N PRO H 147 -20.883 -36.382 8.379 1.00 20.59 N +ATOM 5541 CA PRO H 147 -21.254 -34.984 8.612 1.00 18.82 C +ATOM 5542 C PRO H 147 -20.007 -34.116 8.506 1.00 20.57 C +ATOM 5543 O PRO H 147 -18.968 -34.598 8.049 1.00 18.54 O +ATOM 5544 CB PRO H 147 -21.765 -35.025 10.068 1.00 21.20 C +ATOM 5545 CG PRO H 147 -20.796 -35.961 10.725 1.00 19.02 C +ATOM 5546 CD PRO H 147 -20.625 -37.076 9.661 1.00 22.61 C +ATOM 5547 HA PRO H 147 -22.032 -34.655 7.923 1.00 18.82 H +ATOM 5548 HB3 PRO H 147 -22.761 -35.468 10.087 1.00 21.20 H +ATOM 5549 HB2 PRO H 147 -21.664 -34.035 10.512 1.00 21.20 H +ATOM 5550 HG3 PRO H 147 -21.255 -36.384 11.618 1.00 19.02 H +ATOM 5551 HG2 PRO H 147 -19.843 -35.451 10.867 1.00 19.02 H +ATOM 5552 HD2 PRO H 147 -19.596 -37.434 9.676 1.00 22.61 H +ATOM 5553 HD3 PRO H 147 -21.385 -37.841 9.816 1.00 22.61 H +ATOM 5554 N GLU H 148 -20.073 -32.862 8.941 1.00 18.15 N +ATOM 5555 CA GLU H 148 -18.838 -32.105 9.085 1.00 19.84 C +ATOM 5556 C GLU H 148 -18.125 -32.634 10.357 1.00 19.05 C +ATOM 5557 O GLU H 148 -18.759 -33.302 11.197 1.00 21.97 O +ATOM 5558 CB GLU H 148 -19.106 -30.598 9.184 1.00 23.09 C +ATOM 5559 CG GLU H 148 -19.745 -29.975 7.928 1.00 20.59 C +ATOM 5560 CD GLU H 148 -19.511 -28.479 7.893 1.00 26.38 C +ATOM 5561 OE1 GLU H 148 -18.342 -28.079 7.778 1.00 22.90 O +ATOM 5562 OE2 GLU H 148 -20.483 -27.704 8.027 1.00 26.51 O +ATOM 5563 H GLU H 148 -20.968 -32.452 9.165 1.00 18.15 H +ATOM 5564 HA GLU H 148 -18.204 -32.295 8.219 1.00 19.84 H +ATOM 5565 HB3 GLU H 148 -18.174 -30.080 9.410 1.00 23.09 H +ATOM 5566 HB2 GLU H 148 -19.741 -30.400 10.048 1.00 23.09 H +ATOM 5567 HG3 GLU H 148 -20.817 -30.175 7.929 1.00 20.59 H +ATOM 5568 HG2 GLU H 148 -19.313 -30.431 7.037 1.00 20.59 H +ATOM 5569 N PRO H 149 -16.836 -32.329 10.524 1.00 20.43 N +ATOM 5570 CA PRO H 149 -15.922 -31.575 9.678 1.00 20.63 C +ATOM 5571 C PRO H 149 -14.945 -32.437 8.871 1.00 21.48 C +ATOM 5572 O PRO H 149 -14.656 -33.568 9.249 1.00 23.15 O +ATOM 5573 CB PRO H 149 -15.132 -30.779 10.714 1.00 21.36 C +ATOM 5574 CG PRO H 149 -15.036 -31.704 11.889 1.00 25.23 C +ATOM 5575 CD PRO H 149 -16.189 -32.674 11.805 1.00 21.80 C +ATOM 5576 HA PRO H 149 -16.475 -30.904 9.020 1.00 20.63 H +ATOM 5577 HB3 PRO H 149 -15.700 -29.893 10.998 1.00 21.36 H +ATOM 5578 HB2 PRO H 149 -14.132 -30.579 10.329 1.00 21.36 H +ATOM 5579 HG3 PRO H 149 -15.113 -31.128 12.811 1.00 25.23 H +ATOM 5580 HG2 PRO H 149 -14.096 -32.253 11.842 1.00 25.23 H +ATOM 5581 HD2 PRO H 149 -15.801 -33.691 11.750 1.00 21.80 H +ATOM 5582 HD3 PRO H 149 -16.883 -32.480 12.623 1.00 21.80 H +ATOM 5583 N VAL H 150 -14.467 -31.891 7.760 1.00 24.04 N +ATOM 5584 CA VAL H 150 -13.239 -32.363 7.113 1.00 21.40 C +ATOM 5585 C VAL H 150 -12.164 -31.382 7.552 1.00 27.62 C +ATOM 5586 O VAL H 150 -12.423 -30.179 7.650 1.00 28.43 O +ATOM 5587 CB VAL H 150 -13.393 -32.378 5.552 1.00 25.18 C +ATOM 5588 CG1 VAL H 150 -12.076 -32.124 4.834 1.00 27.82 C +ATOM 5589 CG2 VAL H 150 -13.997 -33.694 5.085 1.00 19.93 C +ATOM 5590 H VAL H 150 -14.953 -31.119 7.327 1.00 24.04 H +ATOM 5591 HA VAL H 150 -12.994 -33.363 7.470 1.00 21.40 H +ATOM 5592 HB VAL H 150 -14.082 -31.579 5.277 1.00 25.18 H +ATOM 5593 HG11 VAL H 150 -12.239 -32.145 3.756 1.00 27.82 H +ATOM 5594 HG12 VAL H 150 -11.686 -31.148 5.123 1.00 27.82 H +ATOM 5595 HG13 VAL H 150 -11.358 -32.897 5.107 1.00 27.82 H +ATOM 5596 HG21 VAL H 150 -14.095 -33.684 4.000 1.00 19.93 H +ATOM 5597 HG22 VAL H 150 -13.349 -34.518 5.383 1.00 19.93 H +ATOM 5598 HG23 VAL H 150 -14.980 -33.824 5.537 1.00 19.93 H +ATOM 5599 N THR H 151 -10.976 -31.885 7.864 1.00 22.49 N +ATOM 5600 CA THR H 151 -9.836 -30.995 8.016 1.00 28.18 C +ATOM 5601 C THR H 151 -8.838 -31.250 6.887 1.00 28.77 C +ATOM 5602 O THR H 151 -8.713 -32.371 6.377 1.00 24.56 O +ATOM 5603 CB THR H 151 -9.165 -31.118 9.393 1.00 33.57 C +ATOM 5604 OG1 THR H 151 -8.663 -32.447 9.566 1.00 36.14 O +ATOM 5605 CG2 THR H 151 -10.169 -30.784 10.502 1.00 35.64 C +ATOM 5606 H THR H 151 -10.868 -32.881 7.994 1.00 22.49 H +ATOM 5607 HA THR H 151 -10.198 -29.972 7.914 1.00 28.18 H +ATOM 5608 HB THR H 151 -8.333 -30.416 9.445 1.00 33.57 H +ATOM 5609 HG1 THR H 151 -8.142 -32.695 8.799 1.00 36.14 H +ATOM 5610 HG21 THR H 151 -9.682 -30.875 11.473 1.00 35.64 H +ATOM 5611 HG22 THR H 151 -10.530 -29.764 10.371 1.00 35.64 H +ATOM 5612 HG23 THR H 151 -11.010 -31.476 10.452 1.00 35.64 H +ATOM 5613 N VAL H 152 -8.168 -30.188 6.465 1.00 26.34 N +ATOM 5614 CA VAL H 152 -7.169 -30.299 5.419 1.00 23.81 C +ATOM 5615 C VAL H 152 -5.915 -29.611 5.896 1.00 22.78 C +ATOM 5616 O VAL H 152 -5.968 -28.500 6.436 1.00 22.85 O +ATOM 5617 CB VAL H 152 -7.631 -29.653 4.085 1.00 22.04 C +ATOM 5618 CG1 VAL H 152 -6.577 -29.829 2.995 1.00 22.53 C +ATOM 5619 CG2 VAL H 152 -9.028 -30.242 3.621 1.00 23.18 C +ATOM 5620 H VAL H 152 -8.349 -29.282 6.873 1.00 26.34 H +ATOM 5621 HA VAL H 152 -6.952 -31.353 5.246 1.00 23.81 H +ATOM 5622 HB VAL H 152 -7.759 -28.584 4.257 1.00 22.04 H +ATOM 5623 HG11 VAL H 152 -6.927 -29.367 2.072 1.00 22.53 H +ATOM 5624 HG12 VAL H 152 -5.647 -29.354 3.308 1.00 22.53 H +ATOM 5625 HG13 VAL H 152 -6.403 -30.892 2.825 1.00 22.53 H +ATOM 5626 HG21 VAL H 152 -9.328 -29.772 2.684 1.00 23.18 H +ATOM 5627 HG22 VAL H 152 -8.939 -31.318 3.475 1.00 23.18 H +ATOM 5628 HG23 VAL H 152 -9.779 -30.041 4.385 1.00 23.18 H +ATOM 5629 N SER H 153 -4.799 -30.294 5.721 1.00 20.64 N +ATOM 5630 CA SER H 153 -3.488 -29.680 5.856 1.00 20.90 C +ATOM 5631 C SER H 153 -2.716 -29.871 4.555 1.00 22.34 C +ATOM 5632 O SER H 153 -3.100 -30.685 3.688 1.00 21.57 O +ATOM 5633 CB SER H 153 -2.713 -30.247 7.070 1.00 25.50 C +ATOM 5634 OG SER H 153 -2.418 -31.615 6.924 1.00 28.58 O +ATOM 5635 H SER H 153 -4.839 -31.275 5.485 1.00 20.64 H +ATOM 5636 HA SER H 153 -3.629 -28.611 6.013 1.00 20.90 H +ATOM 5637 HB3 SER H 153 -3.300 -30.097 7.976 1.00 25.50 H +ATOM 5638 HB2 SER H 153 -1.786 -29.688 7.201 1.00 25.50 H +ATOM 5639 HG SER H 153 -1.884 -31.745 6.137 1.00 28.58 H +ATOM 5640 N TRP H 154 -1.651 -29.089 4.396 1.00 22.12 N +ATOM 5641 CA TRP H 154 -0.770 -29.214 3.240 1.00 18.09 C +ATOM 5642 C TRP H 154 0.617 -29.576 3.689 1.00 21.95 C +ATOM 5643 O TRP H 154 1.172 -28.941 4.613 1.00 21.76 O +ATOM 5644 CB TRP H 154 -0.752 -27.908 2.433 1.00 20.59 C +ATOM 5645 CG TRP H 154 -2.030 -27.740 1.663 1.00 21.75 C +ATOM 5646 CD1 TRP H 154 -3.198 -27.163 2.098 1.00 24.30 C +ATOM 5647 CD2 TRP H 154 -2.283 -28.220 0.346 1.00 23.00 C +ATOM 5648 NE1 TRP H 154 -4.150 -27.237 1.111 1.00 24.23 N +ATOM 5649 CE2 TRP H 154 -3.612 -27.874 0.021 1.00 24.14 C +ATOM 5650 CE3 TRP H 154 -1.500 -28.898 -0.608 1.00 19.74 C +ATOM 5651 CZ2 TRP H 154 -4.184 -28.184 -1.226 1.00 19.56 C +ATOM 5652 CZ3 TRP H 154 -2.061 -29.199 -1.846 1.00 22.78 C +ATOM 5653 CH2 TRP H 154 -3.393 -28.842 -2.143 1.00 21.56 C +ATOM 5654 H TRP H 154 -1.434 -28.385 5.087 1.00 22.12 H +ATOM 5655 HA TRP H 154 -1.147 -30.012 2.601 1.00 18.09 H +ATOM 5656 HB3 TRP H 154 0.090 -27.921 1.741 1.00 20.59 H +ATOM 5657 HB2 TRP H 154 -0.623 -27.064 3.111 1.00 20.59 H +ATOM 5658 HD1 TRP H 154 -3.255 -26.741 3.090 1.00 24.30 H +ATOM 5659 HE1 TRP H 154 -5.070 -26.851 1.267 1.00 24.23 H +ATOM 5660 HE3 TRP H 154 -0.483 -29.175 -0.373 1.00 19.74 H +ATOM 5661 HZ2 TRP H 154 -5.207 -27.907 -1.435 1.00 19.56 H +ATOM 5662 HZ3 TRP H 154 -1.475 -29.712 -2.594 1.00 22.78 H +ATOM 5663 HH2 TRP H 154 -3.790 -29.096 -3.115 1.00 21.56 H +ATOM 5664 N ASN H 155 1.187 -30.594 3.038 1.00 20.85 N +ATOM 5665 CA ASN H 155 2.547 -31.043 3.353 1.00 20.97 C +ATOM 5666 C ASN H 155 2.748 -31.319 4.844 1.00 21.56 C +ATOM 5667 O ASN H 155 3.755 -30.899 5.454 1.00 20.11 O +ATOM 5668 CB ASN H 155 3.577 -30.037 2.806 1.00 19.73 C +ATOM 5669 CG ASN H 155 3.616 -30.024 1.295 1.00 21.07 C +ATOM 5670 OD1 ASN H 155 3.078 -30.922 0.656 1.00 22.27 O +ATOM 5671 ND2 ASN H 155 4.248 -29.003 0.712 1.00 20.40 N +ATOM 5672 H ASN H 155 0.680 -31.075 2.309 1.00 20.85 H +ATOM 5673 HA ASN H 155 2.705 -31.984 2.827 1.00 20.97 H +ATOM 5674 HB3 ASN H 155 4.566 -30.285 3.192 1.00 19.73 H +ATOM 5675 HB2 ASN H 155 3.337 -29.038 3.171 1.00 19.73 H +ATOM 5676 HD22 ASN H 155 4.301 -28.951 -0.295 1.00 20.40 H +ATOM 5677 HD21 ASN H 155 4.674 -28.283 1.278 1.00 20.40 H +ATOM 5678 N SER H 156 1.778 -32.038 5.406 1.00 20.22 N +ATOM 5679 CA SER H 156 1.782 -32.469 6.811 1.00 27.65 C +ATOM 5680 C SER H 156 1.889 -31.317 7.797 1.00 28.14 C +ATOM 5681 O SER H 156 2.437 -31.474 8.884 1.00 29.71 O +ATOM 5682 CB SER H 156 2.874 -33.526 7.048 1.00 24.42 C +ATOM 5683 OG SER H 156 2.653 -34.647 6.213 1.00 31.09 O +ATOM 5684 H SER H 156 0.977 -32.320 4.859 1.00 20.22 H +ATOM 5685 HA SER H 156 0.824 -32.956 6.996 1.00 27.65 H +ATOM 5686 HB3 SER H 156 2.854 -33.841 8.091 1.00 24.42 H +ATOM 5687 HB2 SER H 156 3.850 -33.095 6.827 1.00 24.42 H +ATOM 5688 HG SER H 156 2.675 -34.371 5.294 1.00 31.09 H +ATOM 5689 N GLY H 157 1.347 -30.161 7.406 1.00 26.37 N +ATOM 5690 CA GLY H 157 1.371 -28.963 8.236 1.00 26.53 C +ATOM 5691 C GLY H 157 2.536 -28.037 7.959 1.00 28.13 C +ATOM 5692 O GLY H 157 2.606 -26.952 8.524 1.00 27.83 O +ATOM 5693 H GLY H 157 0.898 -30.093 6.504 1.00 26.37 H +ATOM 5694 HA3 GLY H 157 1.381 -29.252 9.287 1.00 26.53 H +ATOM 5695 HA2 GLY H 157 0.437 -28.416 8.108 1.00 26.53 H +ATOM 5696 N ALA H 158 3.464 -28.461 7.100 1.00 24.57 N +ATOM 5697 CA ALA H 158 4.625 -27.624 6.773 1.00 24.70 C +ATOM 5698 C ALA H 158 4.281 -26.434 5.870 1.00 26.60 C +ATOM 5699 O ALA H 158 5.051 -25.476 5.793 1.00 25.49 O +ATOM 5700 CB ALA H 158 5.750 -28.469 6.168 1.00 25.79 C +ATOM 5701 H ALA H 158 3.373 -29.368 6.665 1.00 24.57 H +ATOM 5702 HA ALA H 158 5.000 -27.216 7.712 1.00 24.70 H +ATOM 5703 HB1 ALA H 158 6.600 -27.829 5.933 1.00 25.79 H +ATOM 5704 HB2 ALA H 158 6.057 -29.232 6.883 1.00 25.79 H +ATOM 5705 HB3 ALA H 158 5.395 -28.949 5.256 1.00 25.79 H +ATOM 5706 N LEU H 159 3.124 -26.494 5.196 1.00 22.07 N +ATOM 5707 CA LEU H 159 2.696 -25.414 4.296 1.00 24.32 C +ATOM 5708 C LEU H 159 1.393 -24.788 4.818 1.00 24.94 C +ATOM 5709 O LEU H 159 0.348 -25.421 4.794 1.00 25.09 O +ATOM 5710 CB LEU H 159 2.521 -25.941 2.850 1.00 23.55 C +ATOM 5711 CG LEU H 159 1.991 -25.049 1.708 1.00 24.13 C +ATOM 5712 CD1 LEU H 159 2.676 -23.695 1.580 1.00 28.52 C +ATOM 5713 CD2 LEU H 159 2.041 -25.777 0.345 1.00 24.13 C +ATOM 5714 H LEU H 159 2.520 -27.297 5.300 1.00 22.07 H +ATOM 5715 HA LEU H 159 3.468 -24.645 4.290 1.00 24.32 H +ATOM 5716 HB3 LEU H 159 1.931 -26.857 2.881 1.00 23.55 H +ATOM 5717 HB2 LEU H 159 3.456 -26.400 2.530 1.00 23.55 H +ATOM 5718 HG LEU H 159 0.941 -24.852 1.923 1.00 24.13 H +ATOM 5719 HD11 LEU H 159 2.235 -23.141 0.751 1.00 28.52 H +ATOM 5720 HD12 LEU H 159 2.544 -23.132 2.504 1.00 28.52 H +ATOM 5721 HD13 LEU H 159 3.740 -23.842 1.394 1.00 28.52 H +ATOM 5722 HD21 LEU H 159 1.660 -25.117 -0.434 1.00 24.13 H +ATOM 5723 HD22 LEU H 159 3.071 -26.051 0.116 1.00 24.13 H +ATOM 5724 HD23 LEU H 159 1.428 -26.677 0.390 1.00 24.13 H +ATOM 5725 N THR H 160 1.462 -23.545 5.289 1.00 23.58 N +ATOM 5726 CA THR H 160 0.279 -22.872 5.845 1.00 21.30 C +ATOM 5727 C THR H 160 0.049 -21.505 5.198 1.00 27.31 C +ATOM 5728 O THR H 160 -1.099 -21.045 5.081 1.00 24.32 O +ATOM 5729 CB THR H 160 0.396 -22.692 7.384 1.00 23.60 C +ATOM 5730 OG1 THR H 160 1.599 -21.982 7.700 1.00 21.26 O +ATOM 5731 CG2 THR H 160 0.418 -24.028 8.098 1.00 26.76 C +ATOM 5732 H THR H 160 2.339 -23.045 5.269 1.00 23.58 H +ATOM 5733 HA THR H 160 -0.592 -23.494 5.642 1.00 21.30 H +ATOM 5734 HB THR H 160 -0.458 -22.116 7.739 1.00 23.60 H +ATOM 5735 HG1 THR H 160 1.667 -21.873 8.651 1.00 21.26 H +ATOM 5736 HG21 THR H 160 0.501 -23.865 9.173 1.00 26.76 H +ATOM 5737 HG22 THR H 160 -0.503 -24.571 7.883 1.00 26.76 H +ATOM 5738 HG23 THR H 160 1.272 -24.611 7.753 1.00 26.76 H +ATOM 5739 N SER H 161 1.135 -20.845 4.791 1.00 24.20 N +ATOM 5740 CA SER H 161 1.031 -19.539 4.164 0.50 25.34 C +ATOM 5741 C SER H 161 0.239 -19.616 2.850 1.00 27.24 C +ATOM 5742 O SER H 161 0.466 -20.513 2.035 1.00 28.84 O +ATOM 5743 CB SER H 161 2.424 -18.969 3.930 0.50 24.67 C +ATOM 5744 OG SER H 161 2.344 -17.618 3.555 0.50 26.00 O +ATOM 5745 H SER H 161 2.050 -21.253 4.917 1.00 24.20 H +ATOM 5746 HA SER H 161 0.500 -18.874 4.845 1.00 25.34 H +ATOM 5747 HB3 SER H 161 2.920 -19.536 3.142 1.00 24.67 H +ATOM 5748 HB2 SER H 161 3.011 -19.058 4.844 1.00 24.67 H +ATOM 5749 HG SER H 161 1.835 -17.540 2.745 1.00 26.00 H +ATOM 5750 N GLY H 162 -0.700 -18.681 2.666 1.00 25.08 N +ATOM 5751 CA GLY H 162 -1.481 -18.574 1.420 1.00 28.59 C +ATOM 5752 C GLY H 162 -2.491 -19.693 1.183 1.00 24.28 C +ATOM 5753 O GLY H 162 -3.039 -19.816 0.086 1.00 27.07 O +ATOM 5754 H GLY H 162 -0.897 -18.012 3.397 1.00 25.08 H +ATOM 5755 HA3 GLY H 162 -0.799 -18.518 0.571 1.00 28.59 H +ATOM 5756 HA2 GLY H 162 -1.996 -17.614 1.399 1.00 28.59 H +ATOM 5757 N VAL H 163 -2.722 -20.517 2.200 1.00 23.28 N +ATOM 5758 CA VAL H 163 -3.736 -21.569 2.126 1.00 23.94 C +ATOM 5759 C VAL H 163 -5.110 -20.975 2.406 1.00 23.61 C +ATOM 5760 O VAL H 163 -5.277 -20.176 3.329 1.00 22.61 O +ATOM 5761 CB VAL H 163 -3.448 -22.732 3.127 1.00 20.21 C +ATOM 5762 CG1 VAL H 163 -4.660 -23.680 3.243 1.00 23.60 C +ATOM 5763 CG2 VAL H 163 -2.168 -23.489 2.732 1.00 20.29 C +ATOM 5764 H VAL H 163 -2.191 -20.426 3.054 1.00 23.28 H +ATOM 5765 HA VAL H 163 -3.736 -21.977 1.115 1.00 23.94 H +ATOM 5766 HB VAL H 163 -3.280 -22.289 4.109 1.00 20.21 H +ATOM 5767 HG11 VAL H 163 -4.430 -24.480 3.947 1.00 23.60 H +ATOM 5768 HG12 VAL H 163 -5.526 -23.122 3.598 1.00 23.60 H +ATOM 5769 HG13 VAL H 163 -4.881 -24.109 2.266 1.00 23.60 H +ATOM 5770 HG21 VAL H 163 -1.987 -24.295 3.444 1.00 20.29 H +ATOM 5771 HG22 VAL H 163 -2.287 -23.908 1.733 1.00 20.29 H +ATOM 5772 HG23 VAL H 163 -1.322 -22.802 2.740 1.00 20.29 H +ATOM 5773 N HIS H 164 -6.095 -21.347 1.595 1.00 22.28 N +ATOM 5774 CA HIS H 164 -7.492 -21.012 1.879 1.00 23.60 C +ATOM 5775 C HIS H 164 -8.286 -22.323 1.876 1.00 23.47 C +ATOM 5776 O HIS H 164 -8.459 -22.954 0.852 1.00 21.75 O +ATOM 5777 CB HIS H 164 -8.075 -20.016 0.853 1.00 25.10 C +ATOM 5778 CG HIS H 164 -7.339 -18.705 0.767 1.00 22.83 C +ATOM 5779 ND1 HIS H 164 -7.258 -17.817 1.818 1.00 24.49 N +ATOM 5780 CD2 HIS H 164 -6.670 -18.130 -0.260 1.00 24.78 C +ATOM 5781 CE1 HIS H 164 -6.568 -16.753 1.442 1.00 24.13 C +ATOM 5782 NE2 HIS H 164 -6.212 -16.913 0.184 1.00 27.82 N +ATOM 5783 H HIS H 164 -5.889 -21.874 0.759 1.00 22.28 H +ATOM 5784 HA HIS H 164 -7.552 -20.568 2.873 1.00 23.60 H +ATOM 5785 HB3 HIS H 164 -9.122 -19.827 1.088 1.00 25.10 H +ATOM 5786 HB2 HIS H 164 -8.097 -20.483 -0.132 1.00 25.10 H +ATOM 5787 HD2 HIS H 164 -6.586 -18.645 -1.206 1.00 24.78 H +ATOM 5788 HE1 HIS H 164 -6.391 -15.949 2.141 1.00 24.13 H +ATOM 5789 HE2 HIS H 164 -5.693 -16.311 -0.439 1.00 27.82 H +ATOM 5790 N THR H 165 -8.742 -22.747 3.041 1.00 24.07 N +ATOM 5791 CA THR H 165 -9.627 -23.902 3.104 1.00 21.65 C +ATOM 5792 C THR H 165 -11.050 -23.393 3.320 1.00 24.45 C +ATOM 5793 O THR H 165 -11.388 -22.859 4.375 1.00 20.98 O +ATOM 5794 CB THR H 165 -9.166 -24.873 4.188 1.00 26.19 C +ATOM 5795 OG1 THR H 165 -7.852 -25.320 3.839 1.00 25.60 O +ATOM 5796 CG2 THR H 165 -10.121 -26.080 4.293 1.00 24.64 C +ATOM 5797 H THR H 165 -8.477 -22.270 3.891 1.00 24.07 H +ATOM 5798 HA THR H 165 -9.589 -24.416 2.144 1.00 21.65 H +ATOM 5799 HB THR H 165 -9.130 -24.355 5.147 1.00 26.19 H +ATOM 5800 HG1 THR H 165 -7.355 -25.509 4.638 1.00 25.60 H +ATOM 5801 HG21 THR H 165 -9.769 -26.756 5.073 1.00 24.64 H +ATOM 5802 HG22 THR H 165 -11.123 -25.730 4.541 1.00 24.64 H +ATOM 5803 HG23 THR H 165 -10.146 -26.608 3.340 1.00 24.64 H +ATOM 5804 N PHE H 166 -11.878 -23.537 2.296 1.00 19.14 N +ATOM 5805 CA PHE H 166 -13.156 -22.835 2.307 1.00 23.75 C +ATOM 5806 C PHE H 166 -14.191 -23.531 3.189 1.00 24.16 C +ATOM 5807 O PHE H 166 -14.161 -24.759 3.345 1.00 22.49 O +ATOM 5808 CB PHE H 166 -13.702 -22.682 0.898 1.00 23.79 C +ATOM 5809 CG PHE H 166 -12.866 -21.783 0.005 1.00 23.13 C +ATOM 5810 CD1 PHE H 166 -13.201 -20.453 -0.158 1.00 25.71 C +ATOM 5811 CD2 PHE H 166 -11.789 -22.306 -0.730 1.00 24.76 C +ATOM 5812 CE1 PHE H 166 -12.433 -19.635 -0.974 1.00 24.59 C +ATOM 5813 CE2 PHE H 166 -11.010 -21.491 -1.546 1.00 26.11 C +ATOM 5814 CZ PHE H 166 -11.339 -20.158 -1.670 1.00 24.47 C +ATOM 5815 H PHE H 166 -11.621 -24.128 1.518 1.00 19.14 H +ATOM 5816 HA PHE H 166 -12.987 -21.837 2.712 1.00 23.75 H +ATOM 5817 HB3 PHE H 166 -14.721 -22.298 0.945 1.00 23.79 H +ATOM 5818 HB2 PHE H 166 -13.793 -23.665 0.437 1.00 23.79 H +ATOM 5819 HD1 PHE H 166 -14.063 -20.047 0.351 1.00 25.71 H +ATOM 5820 HD2 PHE H 166 -11.553 -23.358 -0.668 1.00 24.76 H +ATOM 5821 HE1 PHE H 166 -12.679 -18.588 -1.074 1.00 24.59 H +ATOM 5822 HE2 PHE H 166 -10.162 -21.905 -2.071 1.00 26.11 H +ATOM 5823 HZ PHE H 166 -10.748 -19.517 -2.308 1.00 24.47 H +ATOM 5824 N PRO H 167 -15.122 -22.739 3.757 1.00 24.64 N +ATOM 5825 CA PRO H 167 -16.304 -23.315 4.394 1.00 21.31 C +ATOM 5826 C PRO H 167 -16.993 -24.304 3.459 1.00 22.92 C +ATOM 5827 O PRO H 167 -17.105 -24.060 2.237 1.00 22.95 O +ATOM 5828 CB PRO H 167 -17.194 -22.087 4.660 1.00 23.46 C +ATOM 5829 CG PRO H 167 -16.205 -20.963 4.842 1.00 23.30 C +ATOM 5830 CD PRO H 167 -15.090 -21.266 3.869 1.00 25.98 C +ATOM 5831 HA PRO H 167 -16.034 -23.801 5.332 1.00 21.31 H +ATOM 5832 HB3 PRO H 167 -17.745 -22.236 5.589 1.00 23.46 H +ATOM 5833 HB2 PRO H 167 -17.807 -21.889 3.781 1.00 23.46 H +ATOM 5834 HG3 PRO H 167 -15.814 -20.987 5.859 1.00 23.30 H +ATOM 5835 HG2 PRO H 167 -16.677 -20.019 4.569 1.00 23.30 H +ATOM 5836 HD2 PRO H 167 -15.328 -20.826 2.901 1.00 25.98 H +ATOM 5837 HD3 PRO H 167 -14.139 -20.959 4.304 1.00 25.98 H +ATOM 5838 N ALA H 168 -17.425 -25.424 4.034 1.00 23.13 N +ATOM 5839 CA ALA H 168 -18.174 -26.443 3.301 1.00 23.39 C +ATOM 5840 C ALA H 168 -19.476 -25.860 2.758 1.00 22.16 C +ATOM 5841 O ALA H 168 -20.065 -24.970 3.372 1.00 20.25 O +ATOM 5842 CB ALA H 168 -18.484 -27.625 4.212 1.00 24.89 C +ATOM 5843 H ALA H 168 -17.238 -25.594 5.012 1.00 23.13 H +ATOM 5844 HA ALA H 168 -17.568 -26.792 2.465 1.00 23.39 H +ATOM 5845 HB1 ALA H 168 -19.042 -28.377 3.655 1.00 24.89 H +ATOM 5846 HB2 ALA H 168 -17.552 -28.059 4.575 1.00 24.89 H +ATOM 5847 HB3 ALA H 168 -19.080 -27.285 5.059 1.00 24.89 H +ATOM 5848 N VAL H 169 -19.906 -26.351 1.601 1.00 20.03 N +ATOM 5849 CA VAL H 169 -21.262 -26.085 1.126 1.00 22.90 C +ATOM 5850 C VAL H 169 -22.080 -27.370 1.255 1.00 23.16 C +ATOM 5851 O VAL H 169 -21.537 -28.476 1.208 1.00 22.94 O +ATOM 5852 CB VAL H 169 -21.300 -25.567 -0.344 1.00 25.30 C +ATOM 5853 CG1 VAL H 169 -20.611 -24.219 -0.465 1.00 25.63 C +ATOM 5854 CG2 VAL H 169 -20.706 -26.588 -1.324 1.00 25.19 C +ATOM 5855 H VAL H 169 -19.292 -26.918 1.034 1.00 20.03 H +ATOM 5856 HA VAL H 169 -21.709 -25.327 1.769 1.00 22.90 H +ATOM 5857 HB VAL H 169 -22.346 -25.425 -0.614 1.00 25.30 H +ATOM 5858 HG11 VAL H 169 -20.652 -23.881 -1.500 1.00 25.63 H +ATOM 5859 HG12 VAL H 169 -21.116 -23.494 0.174 1.00 25.63 H +ATOM 5860 HG13 VAL H 169 -19.570 -24.313 -0.155 1.00 25.63 H +ATOM 5861 HG21 VAL H 169 -20.751 -26.189 -2.337 1.00 25.19 H +ATOM 5862 HG22 VAL H 169 -19.668 -26.786 -1.058 1.00 25.19 H +ATOM 5863 HG23 VAL H 169 -21.277 -27.515 -1.274 1.00 25.19 H +ATOM 5864 N LEU H 170 -23.379 -27.197 1.445 1.00 19.74 N +ATOM 5865 CA LEU H 170 -24.322 -28.297 1.544 1.00 22.71 C +ATOM 5866 C LEU H 170 -24.882 -28.517 0.151 1.00 24.50 C +ATOM 5867 O LEU H 170 -25.511 -27.630 -0.427 1.00 25.02 O +ATOM 5868 CB LEU H 170 -25.415 -27.963 2.567 1.00 23.21 C +ATOM 5869 CG LEU H 170 -26.506 -28.992 2.870 1.00 25.57 C +ATOM 5870 CD1 LEU H 170 -25.859 -30.300 3.381 1.00 26.88 C +ATOM 5871 CD2 LEU H 170 -27.507 -28.413 3.880 1.00 22.90 C +ATOM 5872 H LEU H 170 -23.757 -26.264 1.528 1.00 19.74 H +ATOM 5873 HA LEU H 170 -23.793 -29.195 1.864 1.00 22.71 H +ATOM 5874 HB3 LEU H 170 -25.885 -27.020 2.289 1.00 23.21 H +ATOM 5875 HB2 LEU H 170 -24.945 -27.659 3.502 1.00 23.21 H +ATOM 5876 HG LEU H 170 -27.039 -29.211 1.945 1.00 25.57 H +ATOM 5877 HD11 LEU H 170 -26.638 -31.031 3.596 1.00 26.88 H +ATOM 5878 HD12 LEU H 170 -25.189 -30.697 2.618 1.00 26.88 H +ATOM 5879 HD13 LEU H 170 -25.293 -30.095 4.290 1.00 26.88 H +ATOM 5880 HD21 LEU H 170 -28.280 -29.152 4.090 1.00 22.90 H +ATOM 5881 HD22 LEU H 170 -26.987 -28.160 4.804 1.00 22.90 H +ATOM 5882 HD23 LEU H 170 -27.966 -27.516 3.464 1.00 22.90 H +ATOM 5883 N GLN H 171 -24.616 -29.696 -0.399 1.00 21.41 N +ATOM 5884 CA GLN H 171 -25.139 -30.075 -1.706 1.00 22.49 C +ATOM 5885 C GLN H 171 -26.600 -30.490 -1.594 1.00 23.46 C +ATOM 5886 O GLN H 171 -27.102 -30.728 -0.490 1.00 23.62 O +ATOM 5887 CB GLN H 171 -24.269 -31.181 -2.317 1.00 26.91 C +ATOM 5888 CG GLN H 171 -22.794 -30.767 -2.449 1.00 30.38 C +ATOM 5889 CD GLN H 171 -21.899 -31.905 -2.868 1.00 38.03 C +ATOM 5890 OE1 GLN H 171 -21.453 -31.966 -4.019 1.00 39.83 O +ATOM 5891 NE2 GLN H 171 -21.629 -32.825 -1.941 1.00 34.38 N +ATOM 5892 H GLN H 171 -24.035 -30.362 0.090 1.00 21.41 H +ATOM 5893 HA GLN H 171 -25.084 -29.203 -2.358 1.00 22.49 H +ATOM 5894 HB3 GLN H 171 -24.660 -31.448 -3.299 1.00 26.91 H +ATOM 5895 HB2 GLN H 171 -24.340 -32.079 -1.703 1.00 26.91 H +ATOM 5896 HG3 GLN H 171 -22.445 -30.363 -1.499 1.00 30.38 H +ATOM 5897 HG2 GLN H 171 -22.709 -29.955 -3.171 1.00 30.38 H +ATOM 5898 HE22 GLN H 171 -21.035 -33.610 -2.166 1.00 34.38 H +ATOM 5899 HE21 GLN H 171 -22.019 -32.737 -1.013 1.00 34.38 H +ATOM 5900 N SER H 172 -27.287 -30.563 -2.735 1.00 24.72 N +ATOM 5901 CA SER H 172 -28.708 -30.893 -2.755 1.00 28.24 C +ATOM 5902 C SER H 172 -28.942 -32.279 -2.150 1.00 28.52 C +ATOM 5903 O SER H 172 -29.985 -32.518 -1.541 1.00 26.19 O +ATOM 5904 CB SER H 172 -29.278 -30.818 -4.179 1.00 27.15 C +ATOM 5905 OG SER H 172 -28.493 -31.575 -5.080 1.00 38.64 O +ATOM 5906 H SER H 172 -26.824 -30.388 -3.615 1.00 24.72 H +ATOM 5907 HA SER H 172 -29.234 -30.162 -2.141 1.00 28.24 H +ATOM 5908 HB3 SER H 172 -29.304 -29.778 -4.505 1.00 27.15 H +ATOM 5909 HB2 SER H 172 -30.300 -31.197 -4.181 1.00 27.15 H +ATOM 5910 HG SER H 172 -28.868 -31.513 -5.962 1.00 38.64 H +ATOM 5911 N SER H 173 -27.951 -33.162 -2.312 1.00 28.49 N +ATOM 5912 CA SER H 173 -27.952 -34.511 -1.726 1.00 27.07 C +ATOM 5913 C SER H 173 -27.987 -34.536 -0.187 1.00 25.19 C +ATOM 5914 O SER H 173 -28.343 -35.552 0.421 1.00 27.98 O +ATOM 5915 CB SER H 173 -26.727 -35.288 -2.218 1.00 25.06 C +ATOM 5916 OG SER H 173 -25.522 -34.643 -1.823 1.00 21.94 O +ATOM 5917 H SER H 173 -27.141 -32.917 -2.864 1.00 28.49 H +ATOM 5918 HA SER H 173 -28.841 -35.029 -2.087 1.00 27.07 H +ATOM 5919 HB3 SER H 173 -26.758 -35.364 -3.305 1.00 25.06 H +ATOM 5920 HB2 SER H 173 -26.749 -36.298 -1.808 1.00 25.06 H +ATOM 5921 HG SER H 173 -24.838 -34.815 -2.474 1.00 21.94 H +ATOM 5922 N GLY H 174 -27.614 -33.430 0.440 1.00 20.72 N +ATOM 5923 CA GLY H 174 -27.422 -33.407 1.884 1.00 23.28 C +ATOM 5924 C GLY H 174 -25.997 -33.735 2.300 1.00 24.47 C +ATOM 5925 O GLY H 174 -25.683 -33.755 3.505 1.00 22.98 O +ATOM 5926 H GLY H 174 -27.457 -32.581 -0.084 1.00 20.72 H +ATOM 5927 HA3 GLY H 174 -28.107 -34.114 2.352 1.00 23.28 H +ATOM 5928 HA2 GLY H 174 -27.695 -32.425 2.270 1.00 23.28 H +ATOM 5929 N LEU H 175 -25.131 -33.978 1.310 1.00 20.75 N +ATOM 5930 CA LEU H 175 -23.712 -34.178 1.545 1.00 17.00 C +ATOM 5931 C LEU H 175 -22.961 -32.850 1.433 1.00 20.90 C +ATOM 5932 O LEU H 175 -23.402 -31.942 0.730 1.00 23.97 O +ATOM 5933 CB LEU H 175 -23.121 -35.183 0.539 1.00 18.97 C +ATOM 5934 CG LEU H 175 -23.748 -36.584 0.478 1.00 22.65 C +ATOM 5935 CD1 LEU H 175 -23.091 -37.419 -0.637 1.00 23.57 C +ATOM 5936 CD2 LEU H 175 -23.647 -37.317 1.810 1.00 24.91 C +ATOM 5937 H LEU H 175 -25.457 -34.028 0.355 1.00 20.75 H +ATOM 5938 HA LEU H 175 -23.577 -34.572 2.552 1.00 17.00 H +ATOM 5939 HB3 LEU H 175 -22.050 -35.278 0.716 1.00 18.97 H +ATOM 5940 HB2 LEU H 175 -23.135 -34.741 -0.457 1.00 18.97 H +ATOM 5941 HG LEU H 175 -24.805 -36.470 0.235 1.00 22.65 H +ATOM 5942 HD11 LEU H 175 -23.547 -38.409 -0.667 1.00 23.57 H +ATOM 5943 HD12 LEU H 175 -23.237 -36.923 -1.597 1.00 23.57 H +ATOM 5944 HD13 LEU H 175 -22.024 -37.517 -0.438 1.00 23.57 H +ATOM 5945 HD21 LEU H 175 -24.103 -38.303 1.718 1.00 24.91 H +ATOM 5946 HD22 LEU H 175 -22.598 -37.427 2.086 1.00 24.91 H +ATOM 5947 HD23 LEU H 175 -24.167 -36.746 2.580 1.00 24.91 H +ATOM 5948 N TYR H 176 -21.822 -32.749 2.100 1.00 21.80 N +ATOM 5949 CA TYR H 176 -20.998 -31.537 2.041 1.00 17.44 C +ATOM 5950 C TYR H 176 -19.879 -31.654 1.000 1.00 20.08 C +ATOM 5951 O TYR H 176 -19.476 -32.764 0.648 1.00 20.08 O +ATOM 5952 CB TYR H 176 -20.351 -31.263 3.404 1.00 22.54 C +ATOM 5953 CG TYR H 176 -21.327 -30.928 4.497 1.00 20.56 C +ATOM 5954 CD1 TYR H 176 -21.827 -29.634 4.630 1.00 20.71 C +ATOM 5955 CD2 TYR H 176 -21.753 -31.899 5.388 1.00 22.72 C +ATOM 5956 CE1 TYR H 176 -22.753 -29.313 5.626 1.00 23.18 C +ATOM 5957 CE2 TYR H 176 -22.661 -31.595 6.398 1.00 22.39 C +ATOM 5958 CZ TYR H 176 -23.150 -30.291 6.514 1.00 23.00 C +ATOM 5959 OH TYR H 176 -24.050 -29.975 7.504 1.00 25.57 O +ATOM 5960 H TYR H 176 -21.500 -33.519 2.668 1.00 21.80 H +ATOM 5961 HA TYR H 176 -21.635 -30.692 1.778 1.00 17.44 H +ATOM 5962 HB3 TYR H 176 -19.628 -30.453 3.304 1.00 22.54 H +ATOM 5963 HB2 TYR H 176 -19.757 -32.127 3.702 1.00 22.54 H +ATOM 5964 HD1 TYR H 176 -21.499 -28.857 3.956 1.00 20.71 H +ATOM 5965 HD2 TYR H 176 -21.380 -32.909 5.305 1.00 22.72 H +ATOM 5966 HE1 TYR H 176 -23.148 -28.310 5.693 1.00 23.18 H +ATOM 5967 HE2 TYR H 176 -22.982 -32.364 7.085 1.00 22.39 H +ATOM 5968 HH TYR H 176 -24.260 -30.763 8.010 1.00 25.57 H +ATOM 5969 N SER H 177 -19.381 -30.496 0.536 1.00 19.80 N +ATOM 5970 CA SER H 177 -18.200 -30.409 -0.323 0.50 21.02 C +ATOM 5971 C SER H 177 -17.393 -29.179 0.101 1.00 22.28 C +ATOM 5972 O SER H 177 -17.971 -28.168 0.470 1.00 20.07 O +ATOM 5973 CB SER H 177 -18.637 -30.251 -1.781 0.50 22.86 C +ATOM 5974 OG SER H 177 -17.570 -30.476 -2.678 0.50 25.54 O +ATOM 5975 H SER H 177 -19.826 -29.622 0.777 1.00 19.80 H +ATOM 5976 HA SER H 177 -17.593 -31.308 -0.212 1.00 21.02 H +ATOM 5977 HB3 SER H 177 -19.034 -29.247 -1.934 1.00 22.86 H +ATOM 5978 HB2 SER H 177 -19.445 -30.951 -1.995 1.00 22.86 H +ATOM 5979 HG SER H 177 -16.867 -29.845 -2.505 1.00 25.54 H +ATOM 5980 N LEU H 178 -16.067 -29.272 0.049 1.00 21.22 N +ATOM 5981 CA LEU H 178 -15.225 -28.108 0.238 1.00 21.12 C +ATOM 5982 C LEU H 178 -14.011 -28.168 -0.679 1.00 21.60 C +ATOM 5983 O LEU H 178 -13.694 -29.220 -1.230 1.00 20.86 O +ATOM 5984 CB LEU H 178 -14.802 -27.934 1.708 1.00 21.00 C +ATOM 5985 CG LEU H 178 -13.805 -28.857 2.430 1.00 21.42 C +ATOM 5986 CD1 LEU H 178 -12.346 -28.668 1.961 1.00 21.57 C +ATOM 5987 CD2 LEU H 178 -13.892 -28.634 3.956 1.00 24.59 C +ATOM 5988 H LEU H 178 -15.630 -30.166 -0.125 1.00 21.22 H +ATOM 5989 HA LEU H 178 -15.807 -27.231 -0.043 1.00 21.12 H +ATOM 5990 HB3 LEU H 178 -15.701 -27.850 2.319 1.00 21.00 H +ATOM 5991 HB2 LEU H 178 -14.488 -26.901 1.858 1.00 21.00 H +ATOM 5992 HG LEU H 178 -14.093 -29.888 2.225 1.00 21.42 H +ATOM 5993 HD11 LEU H 178 -11.696 -29.349 2.510 1.00 21.57 H +ATOM 5994 HD12 LEU H 178 -12.276 -28.881 0.894 1.00 21.57 H +ATOM 5995 HD13 LEU H 178 -12.034 -27.640 2.147 1.00 21.57 H +ATOM 5996 HD21 LEU H 178 -13.183 -29.291 4.461 1.00 24.59 H +ATOM 5997 HD22 LEU H 178 -13.652 -27.596 4.186 1.00 24.59 H +ATOM 5998 HD23 LEU H 178 -14.902 -28.858 4.299 1.00 24.59 H +ATOM 5999 N SER H 179 -13.361 -27.020 -0.852 1.00 23.38 N +ATOM 6000 CA SER H 179 -12.076 -26.972 -1.514 1.00 23.88 C +ATOM 6001 C SER H 179 -11.044 -26.336 -0.605 1.00 21.03 C +ATOM 6002 O SER H 179 -11.371 -25.536 0.282 1.00 21.93 O +ATOM 6003 CB SER H 179 -12.173 -26.227 -2.846 1.00 31.33 C +ATOM 6004 OG SER H 179 -12.709 -24.938 -2.655 1.00 39.01 O +ATOM 6005 H SER H 179 -13.764 -26.156 -0.518 1.00 23.38 H +ATOM 6006 HA SER H 179 -11.762 -27.995 -1.720 1.00 23.88 H +ATOM 6007 HB3 SER H 179 -12.810 -26.788 -3.530 1.00 31.33 H +ATOM 6008 HB2 SER H 179 -11.181 -26.145 -3.289 1.00 31.33 H +ATOM 6009 HG SER H 179 -12.763 -24.485 -3.500 1.00 39.01 H +ATOM 6010 N SER H 180 -9.791 -26.740 -0.798 1.00 20.80 N +ATOM 6011 CA SER H 180 -8.678 -26.119 -0.106 1.00 18.99 C +ATOM 6012 C SER H 180 -7.656 -25.764 -1.166 1.00 18.66 C +ATOM 6013 O SER H 180 -7.268 -26.616 -1.978 1.00 21.82 O +ATOM 6014 CB SER H 180 -8.070 -27.083 0.921 1.00 19.90 C +ATOM 6015 OG SER H 180 -7.001 -26.458 1.603 1.00 19.84 O +ATOM 6016 H SER H 180 -9.597 -27.496 -1.439 1.00 20.80 H +ATOM 6017 HA SER H 180 -9.017 -25.213 0.396 1.00 18.99 H +ATOM 6018 HB3 SER H 180 -7.704 -27.974 0.410 1.00 19.90 H +ATOM 6019 HB2 SER H 180 -8.835 -27.379 1.639 1.00 19.90 H +ATOM 6020 HG SER H 180 -7.324 -25.677 2.058 1.00 19.84 H +ATOM 6021 N VAL H 181 -7.239 -24.503 -1.190 1.00 21.09 N +ATOM 6022 CA VAL H 181 -6.327 -24.046 -2.251 1.00 22.25 C +ATOM 6023 C VAL H 181 -5.106 -23.393 -1.646 1.00 19.85 C +ATOM 6024 O VAL H 181 -5.111 -23.071 -0.485 1.00 22.08 O +ATOM 6025 CB VAL H 181 -7.002 -23.064 -3.260 1.00 24.20 C +ATOM 6026 CG1 VAL H 181 -8.204 -23.743 -3.953 1.00 27.07 C +ATOM 6027 CG2 VAL H 181 -7.374 -21.720 -2.565 1.00 21.03 C +ATOM 6028 H VAL H 181 -7.548 -23.855 -0.479 1.00 21.09 H +ATOM 6029 HA VAL H 181 -5.996 -24.923 -2.808 1.00 22.25 H +ATOM 6030 HB VAL H 181 -6.268 -22.837 -4.033 1.00 24.20 H +ATOM 6031 HG11 VAL H 181 -8.663 -23.044 -4.653 1.00 27.07 H +ATOM 6032 HG12 VAL H 181 -7.862 -24.626 -4.493 1.00 27.07 H +ATOM 6033 HG13 VAL H 181 -8.937 -24.039 -3.203 1.00 27.07 H +ATOM 6034 HG21 VAL H 181 -7.843 -21.053 -3.289 1.00 21.03 H +ATOM 6035 HG22 VAL H 181 -8.068 -21.913 -1.747 1.00 21.03 H +ATOM 6036 HG23 VAL H 181 -6.472 -21.252 -2.172 1.00 21.03 H +ATOM 6037 N VAL H 182 -4.062 -23.226 -2.454 1.00 20.36 N +ATOM 6038 CA VAL H 182 -2.851 -22.535 -2.027 1.00 22.28 C +ATOM 6039 C VAL H 182 -2.266 -21.853 -3.244 1.00 21.00 C +ATOM 6040 O VAL H 182 -2.357 -22.379 -4.355 1.00 23.91 O +ATOM 6041 CB VAL H 182 -1.823 -23.493 -1.355 1.00 22.15 C +ATOM 6042 CG1 VAL H 182 -1.301 -24.534 -2.314 1.00 23.46 C +ATOM 6043 CG2 VAL H 182 -0.663 -22.716 -0.750 1.00 24.17 C +ATOM 6044 H VAL H 182 -4.092 -23.583 -3.398 1.00 20.36 H +ATOM 6045 HA VAL H 182 -3.130 -21.768 -1.304 1.00 22.28 H +ATOM 6046 HB VAL H 182 -2.334 -24.013 -0.545 1.00 22.15 H +ATOM 6047 HG11 VAL H 182 -0.588 -25.178 -1.799 1.00 23.46 H +ATOM 6048 HG12 VAL H 182 -2.131 -25.136 -2.685 1.00 23.46 H +ATOM 6049 HG13 VAL H 182 -0.807 -24.042 -3.152 1.00 23.46 H +ATOM 6050 HG21 VAL H 182 0.039 -23.411 -0.288 1.00 24.17 H +ATOM 6051 HG22 VAL H 182 -0.154 -22.153 -1.533 1.00 24.17 H +ATOM 6052 HG23 VAL H 182 -1.041 -22.027 0.005 1.00 24.17 H +ATOM 6053 N THR H 183 -1.686 -20.678 -3.041 1.00 21.84 N +ATOM 6054 CA THR H 183 -0.935 -20.025 -4.113 1.00 20.45 C +ATOM 6055 C THR H 183 0.543 -20.166 -3.805 1.00 21.02 C +ATOM 6056 O THR H 183 0.969 -19.996 -2.649 1.00 18.60 O +ATOM 6057 CB THR H 183 -1.329 -18.550 -4.308 1.00 24.16 C +ATOM 6058 OG1 THR H 183 -1.194 -17.854 -3.068 1.00 32.35 O +ATOM 6059 CG2 THR H 183 -2.782 -18.447 -4.770 1.00 20.72 C +ATOM 6060 H THR H 183 -1.761 -20.227 -2.141 1.00 21.84 H +ATOM 6061 HA THR H 183 -1.140 -20.556 -5.043 1.00 20.45 H +ATOM 6062 HB THR H 183 -0.677 -18.095 -5.054 1.00 24.16 H +ATOM 6063 HG1 THR H 183 -0.283 -17.905 -2.769 1.00 32.35 H +ATOM 6064 HG21 THR H 183 -3.048 -17.398 -4.904 1.00 20.72 H +ATOM 6065 HG22 THR H 183 -2.901 -18.975 -5.716 1.00 20.72 H +ATOM 6066 HG23 THR H 183 -3.435 -18.894 -4.020 1.00 20.72 H +ATOM 6067 N VAL H 184 1.320 -20.488 -4.836 1.00 18.68 N +ATOM 6068 CA VAL H 184 2.743 -20.791 -4.688 1.00 19.47 C +ATOM 6069 C VAL H 184 3.534 -20.146 -5.852 1.00 17.38 C +ATOM 6070 O VAL H 184 2.932 -19.701 -6.833 1.00 20.16 O +ATOM 6071 CB VAL H 184 2.972 -22.341 -4.663 1.00 19.47 C +ATOM 6072 CG1 VAL H 184 2.210 -23.011 -3.495 1.00 22.28 C +ATOM 6073 CG2 VAL H 184 2.563 -22.989 -6.022 1.00 17.29 C +ATOM 6074 H VAL H 184 0.931 -20.531 -5.767 1.00 18.68 H +ATOM 6075 HA VAL H 184 3.096 -20.369 -3.747 1.00 19.47 H +ATOM 6076 HB VAL H 184 4.037 -22.520 -4.514 1.00 19.47 H +ATOM 6077 HG11 VAL H 184 2.393 -24.085 -3.510 1.00 22.28 H +ATOM 6078 HG12 VAL H 184 2.558 -22.597 -2.549 1.00 22.28 H +ATOM 6079 HG13 VAL H 184 1.142 -22.823 -3.602 1.00 22.28 H +ATOM 6080 HG21 VAL H 184 2.732 -24.065 -5.978 1.00 17.29 H +ATOM 6081 HG22 VAL H 184 1.508 -22.795 -6.215 1.00 17.29 H +ATOM 6082 HG23 VAL H 184 3.163 -22.560 -6.825 1.00 17.29 H +ATOM 6083 N PRO H 185 4.875 -20.092 -5.754 1.00 18.83 N +ATOM 6084 CA PRO H 185 5.633 -19.576 -6.893 1.00 18.60 C +ATOM 6085 C PRO H 185 5.424 -20.473 -8.115 1.00 20.60 C +ATOM 6086 O PRO H 185 5.461 -21.701 -7.991 1.00 17.89 O +ATOM 6087 CB PRO H 185 7.090 -19.674 -6.419 1.00 16.94 C +ATOM 6088 CG PRO H 185 6.963 -19.666 -4.892 1.00 17.74 C +ATOM 6089 CD PRO H 185 5.757 -20.452 -4.626 1.00 17.28 C +ATOM 6090 HA PRO H 185 5.360 -18.544 -7.112 1.00 18.60 H +ATOM 6091 HB3 PRO H 185 7.633 -18.785 -6.740 1.00 16.94 H +ATOM 6092 HB2 PRO H 185 7.509 -20.627 -6.740 1.00 16.94 H +ATOM 6093 HG3 PRO H 185 6.810 -18.643 -4.548 1.00 17.74 H +ATOM 6094 HG2 PRO H 185 7.826 -20.170 -4.456 1.00 17.74 H +ATOM 6095 HD2 PRO H 185 6.000 -21.513 -4.684 1.00 17.28 H +ATOM 6096 HD3 PRO H 185 5.305 -20.113 -3.694 1.00 17.28 H +ATOM 6097 N SER H 186 5.206 -19.869 -9.284 1.00 21.01 N +ATOM 6098 CA SER H 186 5.201 -20.663 -10.523 1.00 19.52 C +ATOM 6099 C SER H 186 6.578 -21.262 -10.836 1.00 17.97 C +ATOM 6100 O SER H 186 6.665 -22.313 -11.482 1.00 19.62 O +ATOM 6101 CB SER H 186 4.678 -19.830 -11.709 1.00 19.20 C +ATOM 6102 OG SER H 186 5.573 -18.798 -12.004 1.00 24.17 O +ATOM 6103 H SER H 186 5.046 -18.872 -9.315 1.00 21.01 H +ATOM 6104 HA SER H 186 4.509 -21.493 -10.376 1.00 19.52 H +ATOM 6105 HB3 SER H 186 3.706 -19.406 -11.455 1.00 19.20 H +ATOM 6106 HB2 SER H 186 4.564 -20.473 -12.582 1.00 19.20 H +ATOM 6107 HG SER H 186 5.437 -18.071 -11.392 1.00 24.17 H +ATOM 6108 N SER H 187 7.652 -20.613 -10.367 1.00 15.44 N +ATOM 6109 CA SER H 187 9.008 -20.985 -10.752 1.00 16.90 C +ATOM 6110 C SER H 187 9.454 -22.329 -10.208 1.00 20.16 C +ATOM 6111 O SER H 187 10.351 -22.950 -10.766 1.00 20.25 O +ATOM 6112 CB SER H 187 10.027 -19.940 -10.287 1.00 17.59 C +ATOM 6113 OG SER H 187 10.055 -19.870 -8.863 1.00 20.51 O +ATOM 6114 H SER H 187 7.536 -19.841 -9.727 1.00 15.44 H +ATOM 6115 HA SER H 187 9.048 -21.033 -11.840 1.00 16.90 H +ATOM 6116 HB3 SER H 187 9.758 -18.965 -10.693 1.00 17.59 H +ATOM 6117 HB2 SER H 187 11.017 -20.208 -10.657 1.00 17.59 H +ATOM 6118 HG SER H 187 10.958 -19.738 -8.566 1.00 20.51 H +ATOM 6119 N SER H 188 8.859 -22.749 -9.104 1.00 21.10 N +ATOM 6120 CA SER H 188 9.331 -23.943 -8.391 1.00 21.94 C +ATOM 6121 C SER H 188 8.369 -25.130 -8.497 1.00 21.25 C +ATOM 6122 O SER H 188 8.458 -26.079 -7.714 1.00 19.18 O +ATOM 6123 CB SER H 188 9.588 -23.593 -6.922 1.00 17.05 C +ATOM 6124 OG SER H 188 8.403 -23.105 -6.334 1.00 21.93 O +ATOM 6125 H SER H 188 8.064 -22.246 -8.736 1.00 21.10 H +ATOM 6126 HA SER H 188 10.281 -24.243 -8.834 1.00 21.94 H +ATOM 6127 HB3 SER H 188 10.364 -22.830 -6.861 1.00 17.05 H +ATOM 6128 HB2 SER H 188 9.917 -24.485 -6.389 1.00 17.05 H +ATOM 6129 HG SER H 188 7.719 -23.777 -6.385 1.00 21.93 H +ATOM 6130 N LEU H 189 7.449 -25.082 -9.462 1.00 20.94 N +ATOM 6131 CA LEU H 189 6.494 -26.174 -9.654 1.00 18.29 C +ATOM 6132 C LEU H 189 7.209 -27.482 -9.992 1.00 16.91 C +ATOM 6133 O LEU H 189 6.677 -28.561 -9.742 1.00 21.60 O +ATOM 6134 CB LEU H 189 5.451 -25.841 -10.734 1.00 18.80 C +ATOM 6135 CG LEU H 189 4.403 -24.808 -10.292 1.00 18.04 C +ATOM 6136 CD1 LEU H 189 3.506 -24.398 -11.476 1.00 23.03 C +ATOM 6137 CD2 LEU H 189 3.573 -25.283 -9.080 1.00 19.22 C +ATOM 6138 H LEU H 189 7.403 -24.282 -10.076 1.00 20.94 H +ATOM 6139 HA LEU H 189 5.963 -26.320 -8.713 1.00 18.29 H +ATOM 6140 HB3 LEU H 189 4.947 -26.756 -11.045 1.00 18.80 H +ATOM 6141 HB2 LEU H 189 5.959 -25.480 -11.628 1.00 18.80 H +ATOM 6142 HG LEU H 189 4.946 -23.916 -9.978 1.00 18.04 H +ATOM 6143 HD11 LEU H 189 2.772 -23.666 -11.140 1.00 23.03 H +ATOM 6144 HD12 LEU H 189 4.120 -23.961 -12.263 1.00 23.03 H +ATOM 6145 HD13 LEU H 189 2.991 -25.277 -11.864 1.00 23.03 H +ATOM 6146 HD21 LEU H 189 2.849 -24.514 -8.811 1.00 19.22 H +ATOM 6147 HD22 LEU H 189 3.047 -26.203 -9.337 1.00 19.22 H +ATOM 6148 HD23 LEU H 189 4.236 -25.468 -8.235 1.00 19.22 H +ATOM 6149 N GLY H 190 8.414 -27.365 -10.543 1.00 20.45 N +ATOM 6150 CA GLY H 190 9.225 -28.520 -10.900 1.00 18.77 C +ATOM 6151 C GLY H 190 10.021 -29.115 -9.749 1.00 26.06 C +ATOM 6152 O GLY H 190 10.514 -30.245 -9.864 1.00 24.39 O +ATOM 6153 H GLY H 190 8.798 -26.449 -10.728 1.00 20.45 H +ATOM 6154 HA3 GLY H 190 9.906 -28.248 -11.707 1.00 18.77 H +ATOM 6155 HA2 GLY H 190 8.586 -29.290 -11.333 1.00 18.77 H +ATOM 6156 N THR H 191 10.161 -28.376 -8.641 1.00 18.47 N +ATOM 6157 CA THR H 191 11.033 -28.839 -7.548 1.00 19.21 C +ATOM 6158 C THR H 191 10.302 -29.118 -6.242 1.00 19.55 C +ATOM 6159 O THR H 191 10.790 -29.908 -5.427 1.00 17.40 O +ATOM 6160 CB THR H 191 12.223 -27.866 -7.266 1.00 17.82 C +ATOM 6161 OG1 THR H 191 11.712 -26.553 -7.019 1.00 17.61 O +ATOM 6162 CG2 THR H 191 13.210 -27.846 -8.427 1.00 19.62 C +ATOM 6163 H THR H 191 9.668 -27.499 -8.553 1.00 18.47 H +ATOM 6164 HA THR H 191 11.469 -29.784 -7.872 1.00 19.21 H +ATOM 6165 HB THR H 191 12.746 -28.208 -6.373 1.00 17.82 H +ATOM 6166 HG1 THR H 191 11.687 -26.059 -7.842 1.00 17.61 H +ATOM 6167 HG21 THR H 191 14.026 -27.160 -8.199 1.00 19.62 H +ATOM 6168 HG22 THR H 191 13.611 -28.848 -8.581 1.00 19.62 H +ATOM 6169 HG23 THR H 191 12.700 -27.516 -9.332 1.00 19.62 H +ATOM 6170 N GLN H 192 9.159 -28.457 -6.030 1.00 13.85 N +ATOM 6171 CA GLN H 192 8.443 -28.576 -4.774 1.00 14.87 C +ATOM 6172 C GLN H 192 7.345 -29.608 -4.929 1.00 19.69 C +ATOM 6173 O GLN H 192 6.807 -29.805 -6.022 1.00 20.81 O +ATOM 6174 CB GLN H 192 7.829 -27.230 -4.346 1.00 16.36 C +ATOM 6175 CG GLN H 192 8.853 -26.051 -4.294 1.00 12.87 C +ATOM 6176 CD GLN H 192 10.142 -26.413 -3.548 1.00 14.91 C +ATOM 6177 OE1 GLN H 192 10.018 -26.595 -2.239 1.00 18.98 O +ATOM 6178 NE2 GLN H 192 11.231 -26.522 -4.142 1.00 12.45 N +ATOM 6179 H GLN H 192 8.779 -27.861 -6.752 1.00 13.85 H +ATOM 6180 HA GLN H 192 9.136 -28.910 -4.002 1.00 14.87 H +ATOM 6181 HB3 GLN H 192 7.357 -27.342 -3.370 1.00 16.36 H +ATOM 6182 HB2 GLN H 192 7.015 -26.972 -5.024 1.00 16.36 H +ATOM 6183 HG3 GLN H 192 8.388 -25.188 -3.816 1.00 12.87 H +ATOM 6184 HG2 GLN H 192 9.098 -25.739 -5.309 1.00 12.87 H +ATOM 6185 HE22 GLN H 192 12.066 -26.762 -3.626 1.00 12.45 H +ATOM 6186 HE21 GLN H 192 11.280 -26.371 -5.139 1.00 12.45 H +ATOM 6187 N THR H 193 7.007 -30.246 -3.821 1.00 18.65 N +ATOM 6188 CA THR H 193 5.930 -31.232 -3.797 1.00 21.90 C +ATOM 6189 C THR H 193 4.785 -30.697 -2.961 1.00 22.36 C +ATOM 6190 O THR H 193 5.008 -30.184 -1.856 1.00 22.52 O +ATOM 6191 CB THR H 193 6.454 -32.582 -3.246 1.00 22.83 C +ATOM 6192 OG1 THR H 193 7.410 -33.128 -4.165 1.00 23.15 O +ATOM 6193 CG2 THR H 193 5.318 -33.574 -3.051 1.00 24.71 C +ATOM 6194 H THR H 193 7.499 -30.057 -2.959 1.00 18.65 H +ATOM 6195 HA THR H 193 5.575 -31.386 -4.816 1.00 21.90 H +ATOM 6196 HB THR H 193 6.942 -32.409 -2.287 1.00 22.83 H +ATOM 6197 HG1 THR H 193 8.143 -32.516 -4.267 1.00 23.15 H +ATOM 6198 HG21 THR H 193 5.716 -34.512 -2.664 1.00 24.71 H +ATOM 6199 HG22 THR H 193 4.596 -33.166 -2.343 1.00 24.71 H +ATOM 6200 HG23 THR H 193 4.826 -33.756 -4.006 1.00 24.71 H +ATOM 6201 N TYR H 194 3.559 -30.801 -3.491 1.00 21.25 N +ATOM 6202 CA TYR H 194 2.372 -30.315 -2.786 1.00 20.44 C +ATOM 6203 C TYR H 194 1.363 -31.432 -2.588 1.00 21.78 C +ATOM 6204 O TYR H 194 0.872 -32.017 -3.542 1.00 21.92 O +ATOM 6205 CB TYR H 194 1.740 -29.138 -3.537 1.00 19.62 C +ATOM 6206 CG TYR H 194 2.702 -27.989 -3.697 1.00 18.66 C +ATOM 6207 CD1 TYR H 194 3.083 -27.226 -2.585 1.00 16.66 C +ATOM 6208 CD2 TYR H 194 3.244 -27.666 -4.940 1.00 17.04 C +ATOM 6209 CE1 TYR H 194 3.989 -26.187 -2.711 1.00 18.00 C +ATOM 6210 CE2 TYR H 194 4.152 -26.581 -5.086 1.00 16.74 C +ATOM 6211 CZ TYR H 194 4.515 -25.861 -3.969 1.00 17.39 C +ATOM 6212 OH TYR H 194 5.389 -24.806 -4.067 1.00 16.40 O +ATOM 6213 H TYR H 194 3.436 -31.224 -4.400 1.00 21.25 H +ATOM 6214 HA TYR H 194 2.683 -29.962 -1.803 1.00 20.44 H +ATOM 6215 HB3 TYR H 194 0.855 -28.798 -2.999 1.00 19.62 H +ATOM 6216 HB2 TYR H 194 1.407 -29.472 -4.520 1.00 19.62 H +ATOM 6217 HD1 TYR H 194 2.669 -27.445 -1.612 1.00 16.66 H +ATOM 6218 HD2 TYR H 194 2.976 -28.243 -5.812 1.00 17.04 H +ATOM 6219 HE1 TYR H 194 4.292 -25.626 -1.839 1.00 18.00 H +ATOM 6220 HE2 TYR H 194 4.545 -26.333 -6.061 1.00 16.74 H +ATOM 6221 HH TYR H 194 5.879 -24.718 -3.246 1.00 16.40 H +ATOM 6222 N ILE H 195 1.109 -31.745 -1.330 1.00 19.39 N +ATOM 6223 CA ILE H 195 0.248 -32.857 -0.957 1.00 21.39 C +ATOM 6224 C ILE H 195 -0.791 -32.346 0.038 1.00 19.56 C +ATOM 6225 O ILE H 195 -0.450 -31.758 1.088 1.00 20.69 O +ATOM 6226 CB ILE H 195 1.057 -34.043 -0.327 1.00 17.67 C +ATOM 6227 CG1 ILE H 195 2.081 -34.621 -1.319 1.00 18.83 C +ATOM 6228 CG2 ILE H 195 0.096 -35.124 0.211 1.00 16.22 C +ATOM 6229 CD1 ILE H 195 3.201 -35.413 -0.656 1.00 22.53 C +ATOM 6230 H ILE H 195 1.519 -31.204 -0.582 1.00 19.39 H +ATOM 6231 HA ILE H 195 -0.266 -33.217 -1.848 1.00 21.39 H +ATOM 6232 HB ILE H 195 1.612 -33.646 0.523 1.00 17.67 H +ATOM 6233 HG13 ILE H 195 2.511 -33.811 -1.908 1.00 18.83 H +ATOM 6234 HG12 ILE H 195 1.567 -35.256 -2.040 1.00 18.83 H +ATOM 6235 HG21 ILE H 195 0.673 -35.940 0.645 1.00 16.22 H +ATOM 6236 HG22 ILE H 195 -0.549 -34.690 0.975 1.00 16.22 H +ATOM 6237 HG23 ILE H 195 -0.516 -35.506 -0.606 1.00 16.22 H +ATOM 6238 HD11 ILE H 195 3.883 -35.788 -1.419 1.00 22.53 H +ATOM 6239 HD12 ILE H 195 3.747 -34.766 0.031 1.00 22.53 H +ATOM 6240 HD13 ILE H 195 2.776 -36.252 -0.105 1.00 22.53 H +ATOM 6241 N CYS H 196 -2.065 -32.558 -0.285 1.00 19.90 N +ATOM 6242 CA CYS H 196 -3.118 -32.212 0.652 1.00 19.79 C +ATOM 6243 C CYS H 196 -3.410 -33.437 1.497 1.00 21.55 C +ATOM 6244 O CYS H 196 -3.564 -34.547 0.971 1.00 23.95 O +ATOM 6245 CB CYS H 196 -4.377 -31.691 -0.055 1.00 24.41 C +ATOM 6246 SG CYS H 196 -5.227 -32.918 -1.071 1.00 25.26 S +ATOM 6247 H CYS H 196 -2.299 -32.960 -1.182 1.00 19.90 H +ATOM 6248 HA CYS H 196 -2.745 -31.426 1.309 1.00 19.79 H +ATOM 6249 HB3 CYS H 196 -4.115 -30.831 -0.671 1.00 24.41 H +ATOM 6250 HB2 CYS H 196 -5.070 -31.294 0.687 1.00 24.41 H +ATOM 6251 N ASN H 197 -3.466 -33.231 2.809 1.00 19.94 N +ATOM 6252 CA ASN H 197 -3.772 -34.289 3.769 1.00 18.88 C +ATOM 6253 C ASN H 197 -5.181 -34.056 4.259 1.00 20.12 C +ATOM 6254 O ASN H 197 -5.456 -33.056 4.927 1.00 21.18 O +ATOM 6255 CB ASN H 197 -2.794 -34.245 4.953 1.00 20.22 C +ATOM 6256 CG ASN H 197 -1.384 -33.849 4.538 1.00 21.82 C +ATOM 6257 OD1 ASN H 197 -0.905 -32.750 4.867 1.00 23.30 O +ATOM 6258 ND2 ASN H 197 -0.717 -34.730 3.783 1.00 22.45 N +ATOM 6259 H ASN H 197 -3.293 -32.309 3.183 1.00 19.94 H +ATOM 6260 HA ASN H 197 -3.710 -35.260 3.277 1.00 18.88 H +ATOM 6261 HB3 ASN H 197 -2.768 -35.221 5.438 1.00 20.22 H +ATOM 6262 HB2 ASN H 197 -3.162 -33.543 5.701 1.00 20.22 H +ATOM 6263 HD22 ASN H 197 0.223 -34.523 3.477 1.00 22.45 H +ATOM 6264 HD21 ASN H 197 -1.153 -35.602 3.520 1.00 22.45 H +ATOM 6265 N VAL H 198 -6.086 -34.960 3.886 1.00 18.09 N +ATOM 6266 CA VAL H 198 -7.502 -34.804 4.172 1.00 21.15 C +ATOM 6267 C VAL H 198 -7.942 -35.813 5.245 1.00 23.81 C +ATOM 6268 O VAL H 198 -7.658 -37.010 5.108 1.00 22.05 O +ATOM 6269 CB VAL H 198 -8.351 -34.974 2.884 1.00 23.03 C +ATOM 6270 CG1 VAL H 198 -9.862 -34.809 3.187 1.00 23.85 C +ATOM 6271 CG2 VAL H 198 -7.909 -33.966 1.806 1.00 23.29 C +ATOM 6272 H VAL H 198 -5.796 -35.788 3.386 1.00 18.09 H +ATOM 6273 HA VAL H 198 -7.665 -33.798 4.560 1.00 21.15 H +ATOM 6274 HB VAL H 198 -8.188 -35.980 2.498 1.00 23.03 H +ATOM 6275 HG11 VAL H 198 -10.433 -34.933 2.267 1.00 23.85 H +ATOM 6276 HG12 VAL H 198 -10.172 -35.562 3.911 1.00 23.85 H +ATOM 6277 HG13 VAL H 198 -10.045 -33.815 3.596 1.00 23.85 H +ATOM 6278 HG21 VAL H 198 -8.516 -34.101 0.911 1.00 23.29 H +ATOM 6279 HG22 VAL H 198 -8.038 -32.951 2.182 1.00 23.29 H +ATOM 6280 HG23 VAL H 198 -6.860 -34.132 1.561 1.00 23.29 H +ATOM 6281 N ASN H 199 -8.603 -35.319 6.303 1.00 22.65 N +ATOM 6282 CA ASN H 199 -9.127 -36.169 7.397 1.00 21.76 C +ATOM 6283 C ASN H 199 -10.626 -36.007 7.521 1.00 22.48 C +ATOM 6284 O ASN H 199 -11.132 -34.884 7.563 1.00 23.20 O +ATOM 6285 CB ASN H 199 -8.514 -35.788 8.754 1.00 24.34 C +ATOM 6286 CG ASN H 199 -7.093 -36.309 8.933 1.00 29.11 C +ATOM 6287 OD1 ASN H 199 -6.712 -36.599 10.173 1.00 30.33 O +ATOM 6288 ND2 ASN H 199 -6.351 -36.425 7.976 1.00 33.89 N +ATOM 6289 H ASN H 199 -8.763 -34.325 6.379 1.00 22.65 H +ATOM 6290 HA ASN H 199 -8.897 -37.212 7.181 1.00 21.76 H +ATOM 6291 HB3 ASN H 199 -9.144 -36.172 9.556 1.00 24.34 H +ATOM 6292 HB2 ASN H 199 -8.518 -34.703 8.861 1.00 24.34 H +ATOM 6293 HD22 ASN H 199 -5.411 -36.771 8.105 1.00 33.89 H +ATOM 6294 HD21 ASN H 199 -6.675 -36.175 7.053 1.00 33.89 H +ATOM 6295 N HIS H 200 -11.339 -37.120 7.582 1.00 23.05 N +ATOM 6296 CA HIS H 200 -12.752 -37.083 7.930 1.00 19.68 C +ATOM 6297 C HIS H 200 -12.949 -38.156 8.991 1.00 23.93 C +ATOM 6298 O HIS H 200 -13.146 -39.337 8.682 1.00 23.06 O +ATOM 6299 CB HIS H 200 -13.643 -37.295 6.682 1.00 17.50 C +ATOM 6300 CG HIS H 200 -15.118 -37.282 6.969 1.00 18.32 C +ATOM 6301 ND1 HIS H 200 -16.035 -38.278 6.971 1.00 20.14 N +ATOM 6302 CD2 HIS H 200 -15.808 -36.132 7.301 1.00 18.10 C +ATOM 6303 CE1 HIS H 200 -17.245 -37.720 7.309 1.00 16.63 C +ATOM 6304 NE2 HIS H 200 -17.082 -36.422 7.500 1.00 25.34 N +ATOM 6305 H HIS H 200 -10.904 -38.010 7.386 1.00 23.05 H +ATOM 6306 HA HIS H 200 -12.982 -36.111 8.366 1.00 19.68 H +ATOM 6307 HB3 HIS H 200 -13.376 -38.237 6.204 1.00 17.50 H +ATOM 6308 HB2 HIS H 200 -13.413 -36.531 5.940 1.00 17.50 H +ATOM 6309 HD2 HIS H 200 -15.321 -35.249 7.357 1.00 18.10 H +ATOM 6310 HE1 HIS H 200 -18.069 -38.301 7.374 1.00 16.63 H +ATOM 6311 HE2 HIS H 200 -17.778 -35.641 7.770 1.00 25.34 H +ATOM 6312 N LYS H 201 -12.869 -37.741 10.253 1.00 20.08 N +ATOM 6313 CA LYS H 201 -12.925 -38.676 11.373 1.00 23.23 C +ATOM 6314 C LYS H 201 -14.183 -39.556 11.445 1.00 20.65 C +ATOM 6315 O LYS H 201 -14.063 -40.760 11.692 1.00 20.17 O +ATOM 6316 CB LYS H 201 -12.661 -37.947 12.708 1.00 24.97 C +ATOM 6317 CG LYS H 201 -12.614 -38.858 13.927 1.00 30.13 C +ATOM 6318 CD LYS H 201 -11.455 -39.859 13.847 1.00 35.19 C +ATOM 6319 CE LYS H 201 -11.512 -40.852 14.998 1.00 41.45 C +ATOM 6320 NZ LYS H 201 -11.279 -40.171 16.293 1.00 43.44 N +ATOM 6321 H LYS H 201 -12.767 -36.757 10.455 1.00 20.08 H +ATOM 6322 HA LYS H 201 -12.088 -39.360 11.234 1.00 23.23 H +ATOM 6323 HB3 LYS H 201 -13.423 -37.182 12.858 1.00 24.97 H +ATOM 6324 HB2 LYS H 201 -11.726 -37.391 12.637 1.00 24.97 H +ATOM 6325 HG3 LYS H 201 -13.556 -39.400 14.011 1.00 30.13 H +ATOM 6326 HG2 LYS H 201 -12.509 -38.253 14.828 1.00 30.13 H +ATOM 6327 HD3 LYS H 201 -10.508 -39.321 13.879 1.00 35.19 H +ATOM 6328 HD2 LYS H 201 -11.505 -40.397 12.901 1.00 35.19 H +ATOM 6329 HE3 LYS H 201 -10.754 -41.622 14.851 1.00 41.45 H +ATOM 6330 HE2 LYS H 201 -12.489 -41.335 15.013 1.00 41.45 H +ATOM 6331 HZ1 LYS H 201 -12.048 -39.546 16.489 1.00 43.44 H +ATOM 6332 HZ2 LYS H 201 -11.210 -40.860 17.028 1.00 43.44 H +ATOM 6333 HZ3 LYS H 201 -10.420 -39.642 16.246 1.00 43.44 H +ATOM 6334 N PRO H 202 -15.395 -38.985 11.227 1.00 22.31 N +ATOM 6335 CA PRO H 202 -16.598 -39.838 11.361 1.00 22.35 C +ATOM 6336 C PRO H 202 -16.620 -41.069 10.444 1.00 20.50 C +ATOM 6337 O PRO H 202 -17.230 -42.092 10.798 1.00 18.73 O +ATOM 6338 CB PRO H 202 -17.750 -38.891 11.007 1.00 22.50 C +ATOM 6339 CG PRO H 202 -17.188 -37.489 11.259 1.00 22.32 C +ATOM 6340 CD PRO H 202 -15.741 -37.593 10.874 1.00 23.64 C +ATOM 6341 HA PRO H 202 -16.700 -40.158 12.398 1.00 22.35 H +ATOM 6342 HB3 PRO H 202 -18.586 -39.072 11.682 1.00 22.50 H +ATOM 6343 HB2 PRO H 202 -17.993 -38.998 9.950 1.00 22.50 H +ATOM 6344 HG3 PRO H 202 -17.263 -37.256 12.321 1.00 22.32 H +ATOM 6345 HG2 PRO H 202 -17.686 -36.777 10.601 1.00 22.32 H +ATOM 6346 HD2 PRO H 202 -15.645 -37.461 9.796 1.00 23.64 H +ATOM 6347 HD3 PRO H 202 -15.155 -36.910 11.489 1.00 23.64 H +ATOM 6348 N SER H 203 -15.962 -40.977 9.289 1.00 18.54 N +ATOM 6349 CA SER H 203 -15.882 -42.110 8.353 1.00 21.27 C +ATOM 6350 C SER H 203 -14.529 -42.833 8.405 1.00 18.35 C +ATOM 6351 O SER H 203 -14.288 -43.756 7.617 1.00 19.37 O +ATOM 6352 CB SER H 203 -16.120 -41.629 6.919 1.00 17.67 C +ATOM 6353 OG SER H 203 -15.061 -40.789 6.492 1.00 20.41 O +ATOM 6354 H SER H 203 -15.502 -40.114 9.037 1.00 18.54 H +ATOM 6355 HA SER H 203 -16.664 -42.825 8.610 1.00 21.27 H +ATOM 6356 HB3 SER H 203 -17.060 -41.080 6.872 1.00 17.67 H +ATOM 6357 HB2 SER H 203 -16.191 -42.490 6.254 1.00 17.67 H +ATOM 6358 HG SER H 203 -15.309 -39.870 6.621 1.00 20.41 H +ATOM 6359 N ASN H 204 -13.652 -42.392 9.307 1.00 19.76 N +ATOM 6360 CA ASN H 204 -12.286 -42.916 9.416 1.00 19.75 C +ATOM 6361 C ASN H 204 -11.542 -42.810 8.091 1.00 25.30 C +ATOM 6362 O ASN H 204 -10.873 -43.739 7.662 1.00 24.43 O +ATOM 6363 CB ASN H 204 -12.275 -44.382 9.910 1.00 24.23 C +ATOM 6364 CG ASN H 204 -12.708 -44.520 11.352 1.00 28.62 C +ATOM 6365 OD1 ASN H 204 -11.782 -44.276 12.278 1.00 25.58 O +ATOM 6366 ND2 ASN H 204 -13.870 -44.833 11.635 1.00 26.22 N +ATOM 6367 H ASN H 204 -13.917 -41.665 9.956 1.00 19.76 H +ATOM 6368 HA ASN H 204 -11.753 -42.311 10.149 1.00 19.75 H +ATOM 6369 HB3 ASN H 204 -11.274 -44.797 9.791 1.00 24.23 H +ATOM 6370 HB2 ASN H 204 -12.928 -44.982 9.277 1.00 24.23 H +ATOM 6371 HD22 ASN H 204 -14.148 -44.922 12.602 1.00 26.22 H +ATOM 6372 HD21 ASN H 204 -14.542 -45.000 10.899 1.00 26.22 H +ATOM 6373 N THR H 205 -11.704 -41.674 7.429 1.00 21.93 N +ATOM 6374 CA THR H 205 -10.997 -41.386 6.201 1.00 23.47 C +ATOM 6375 C THR H 205 -9.763 -40.566 6.544 1.00 23.91 C +ATOM 6376 O THR H 205 -9.854 -39.540 7.229 1.00 25.76 O +ATOM 6377 CB THR H 205 -11.904 -40.616 5.201 1.00 26.33 C +ATOM 6378 OG1 THR H 205 -13.042 -41.424 4.902 1.00 23.72 O +ATOM 6379 CG2 THR H 205 -11.158 -40.302 3.892 1.00 26.70 C +ATOM 6380 H THR H 205 -12.340 -40.972 7.779 1.00 21.93 H +ATOM 6381 HA THR H 205 -10.683 -42.325 5.744 1.00 23.47 H +ATOM 6382 HB THR H 205 -12.235 -39.684 5.659 1.00 26.33 H +ATOM 6383 HG1 THR H 205 -13.528 -41.605 5.710 1.00 23.72 H +ATOM 6384 HG21 THR H 205 -11.821 -39.763 3.215 1.00 26.70 H +ATOM 6385 HG22 THR H 205 -10.284 -39.687 4.109 1.00 26.70 H +ATOM 6386 HG23 THR H 205 -10.839 -41.233 3.423 1.00 26.70 H +ATOM 6387 N LYS H 206 -8.607 -41.055 6.102 1.00 22.12 N +ATOM 6388 CA LYS H 206 -7.383 -40.254 6.057 1.00 23.50 C +ATOM 6389 C LYS H 206 -6.740 -40.492 4.693 1.00 27.90 C +ATOM 6390 O LYS H 206 -6.235 -41.586 4.416 1.00 23.78 O +ATOM 6391 CB LYS H 206 -6.411 -40.637 7.184 1.00 25.16 C +ATOM 6392 CG LYS H 206 -6.916 -40.324 8.578 1.00 26.07 C +ATOM 6393 CD LYS H 206 -5.827 -40.462 9.654 1.00 26.66 C +ATOM 6394 CE LYS H 206 -6.409 -40.139 11.037 1.00 28.61 C +ATOM 6395 NZ LYS H 206 -5.406 -40.364 12.146 1.00 35.64 N +ATOM 6396 H LYS H 206 -8.553 -42.011 5.782 1.00 22.12 H +ATOM 6397 HA LYS H 206 -7.642 -39.199 6.151 1.00 23.50 H +ATOM 6398 HB3 LYS H 206 -5.457 -40.135 7.024 1.00 25.16 H +ATOM 6399 HB2 LYS H 206 -6.178 -41.700 7.114 1.00 25.16 H +ATOM 6400 HG3 LYS H 206 -7.749 -40.985 8.818 1.00 26.07 H +ATOM 6401 HG2 LYS H 206 -7.319 -39.311 8.598 1.00 26.07 H +ATOM 6402 HD3 LYS H 206 -5.010 -39.774 9.434 1.00 26.66 H +ATOM 6403 HD2 LYS H 206 -5.441 -41.481 9.652 1.00 26.66 H +ATOM 6404 HE3 LYS H 206 -7.289 -40.757 11.213 1.00 28.61 H +ATOM 6405 HE2 LYS H 206 -6.744 -39.102 11.056 1.00 28.61 H +ATOM 6406 HZ1 LYS H 206 -5.888 -40.406 13.033 1.00 35.64 H +ATOM 6407 HZ2 LYS H 206 -4.917 -41.234 11.987 1.00 35.64 H +ATOM 6408 HZ3 LYS H 206 -4.742 -39.603 12.160 1.00 35.64 H +ATOM 6409 N VAL H 207 -6.780 -39.470 3.843 1.00 25.04 N +ATOM 6410 CA VAL H 207 -6.355 -39.576 2.452 1.00 28.07 C +ATOM 6411 C VAL H 207 -5.314 -38.487 2.184 1.00 27.72 C +ATOM 6412 O VAL H 207 -5.361 -37.421 2.784 1.00 24.68 O +ATOM 6413 CB VAL H 207 -7.569 -39.391 1.499 1.00 27.57 C +ATOM 6414 CG1 VAL H 207 -7.132 -38.979 0.094 1.00 37.49 C +ATOM 6415 CG2 VAL H 207 -8.389 -40.664 1.437 1.00 34.65 C +ATOM 6416 H VAL H 207 -7.116 -38.569 4.152 1.00 25.04 H +ATOM 6417 HA VAL H 207 -5.907 -40.555 2.283 1.00 28.07 H +ATOM 6418 HB VAL H 207 -8.200 -38.600 1.904 1.00 27.57 H +ATOM 6419 HG11 VAL H 207 -8.011 -38.860 -0.540 1.00 37.49 H +ATOM 6420 HG12 VAL H 207 -6.590 -38.035 0.144 1.00 37.49 H +ATOM 6421 HG13 VAL H 207 -6.483 -39.748 -0.325 1.00 37.49 H +ATOM 6422 HG21 VAL H 207 -9.236 -40.519 0.766 1.00 34.65 H +ATOM 6423 HG22 VAL H 207 -7.768 -41.479 1.067 1.00 34.65 H +ATOM 6424 HG23 VAL H 207 -8.754 -40.910 2.434 1.00 34.65 H +ATOM 6425 N ASP H 208 -4.375 -38.774 1.288 1.00 25.62 N +ATOM 6426 CA ASP H 208 -3.381 -37.784 0.874 1.00 24.55 C +ATOM 6427 C ASP H 208 -3.310 -37.791 -0.640 1.00 28.08 C +ATOM 6428 O ASP H 208 -3.368 -38.857 -1.264 1.00 27.35 O +ATOM 6429 CB ASP H 208 -2.026 -38.102 1.501 1.00 28.68 C +ATOM 6430 CG ASP H 208 -2.105 -38.191 3.020 1.00 32.42 C +ATOM 6431 OD1 ASP H 208 -1.880 -37.174 3.685 1.00 27.91 O +ATOM 6432 OD2 ASP H 208 -2.444 -39.268 3.553 1.00 34.46 O +ATOM 6433 H ASP H 208 -4.336 -39.695 0.875 1.00 25.62 H +ATOM 6434 HA ASP H 208 -3.703 -36.798 1.209 1.00 24.55 H +ATOM 6435 HB3 ASP H 208 -1.307 -37.333 1.220 1.00 28.68 H +ATOM 6436 HB2 ASP H 208 -1.654 -39.045 1.101 1.00 28.68 H +ATOM 6437 N LYS H 209 -3.226 -36.600 -1.231 1.00 20.68 N +ATOM 6438 CA LYS H 209 -3.163 -36.479 -2.680 1.00 22.90 C +ATOM 6439 C LYS H 209 -2.041 -35.523 -3.074 1.00 19.97 C +ATOM 6440 O LYS H 209 -2.057 -34.373 -2.667 1.00 20.11 O +ATOM 6441 CB LYS H 209 -4.502 -35.940 -3.198 1.00 26.29 C +ATOM 6442 CG LYS H 209 -4.573 -35.708 -4.713 1.00 32.34 C +ATOM 6443 CD LYS H 209 -4.816 -36.992 -5.497 1.00 39.53 C +ATOM 6444 CE LYS H 209 -6.053 -37.730 -4.983 1.00 41.20 C +ATOM 6445 NZ LYS H 209 -6.347 -38.946 -5.775 1.00 48.80 N +ATOM 6446 H LYS H 209 -3.205 -35.759 -0.672 1.00 20.68 H +ATOM 6447 HA LYS H 209 -2.974 -37.459 -3.117 1.00 22.90 H +ATOM 6448 HB3 LYS H 209 -4.741 -35.011 -2.680 1.00 26.29 H +ATOM 6449 HB2 LYS H 209 -5.303 -36.617 -2.899 1.00 26.29 H +ATOM 6450 HG3 LYS H 209 -3.646 -35.246 -5.053 1.00 32.34 H +ATOM 6451 HG2 LYS H 209 -5.366 -34.994 -4.933 1.00 32.34 H +ATOM 6452 HD3 LYS H 209 -3.944 -37.641 -5.410 1.00 39.53 H +ATOM 6453 HD2 LYS H 209 -4.948 -36.753 -6.552 1.00 39.53 H +ATOM 6454 HE3 LYS H 209 -6.913 -37.061 -5.013 1.00 41.20 H +ATOM 6455 HE2 LYS H 209 -5.903 -38.005 -3.939 1.00 41.20 H +ATOM 6456 HZ1 LYS H 209 -6.921 -38.701 -6.569 1.00 48.80 H +ATOM 6457 HZ2 LYS H 209 -5.482 -39.355 -6.099 1.00 48.80 H +ATOM 6458 HZ3 LYS H 209 -6.839 -39.613 -5.198 1.00 48.80 H +ATOM 6459 N LYS H 210 -1.094 -36.008 -3.869 1.00 19.67 N +ATOM 6460 CA LYS H 210 -0.050 -35.166 -4.454 1.00 20.50 C +ATOM 6461 C LYS H 210 -0.659 -34.418 -5.634 1.00 21.38 C +ATOM 6462 O LYS H 210 -1.244 -35.028 -6.535 1.00 26.78 O +ATOM 6463 CB LYS H 210 1.147 -36.021 -4.903 1.00 22.61 C +ATOM 6464 CG LYS H 210 2.233 -35.244 -5.635 1.00 23.24 C +ATOM 6465 CD LYS H 210 3.509 -36.084 -5.867 1.00 26.98 C +ATOM 6466 CE LYS H 210 3.240 -37.339 -6.701 1.00 33.47 C +ATOM 6467 NZ LYS H 210 4.450 -38.225 -6.873 1.00 34.55 N +ATOM 6468 H LYS H 210 -1.076 -36.993 -4.091 1.00 19.67 H +ATOM 6469 HA LYS H 210 0.286 -34.445 -3.709 1.00 20.50 H +ATOM 6470 HB3 LYS H 210 0.793 -36.833 -5.539 1.00 22.61 H +ATOM 6471 HB2 LYS H 210 1.581 -36.518 -4.036 1.00 22.61 H +ATOM 6472 HG3 LYS H 210 2.486 -34.350 -5.064 1.00 23.24 H +ATOM 6473 HG2 LYS H 210 1.847 -34.899 -6.594 1.00 23.24 H +ATOM 6474 HD3 LYS H 210 3.933 -36.372 -4.905 1.00 26.98 H +ATOM 6475 HD2 LYS H 210 4.260 -35.472 -6.366 1.00 26.98 H +ATOM 6476 HE3 LYS H 210 2.863 -37.048 -7.681 1.00 33.47 H +ATOM 6477 HE2 LYS H 210 2.434 -37.912 -6.242 1.00 33.47 H +ATOM 6478 HZ1 LYS H 210 4.775 -38.531 -5.967 1.00 34.55 H +ATOM 6479 HZ2 LYS H 210 4.202 -39.030 -7.430 1.00 34.55 H +ATOM 6480 HZ3 LYS H 210 5.183 -37.708 -7.337 1.00 34.55 H +ATOM 6481 N VAL H 211 -0.526 -33.097 -5.624 1.00 20.08 N +ATOM 6482 CA VAL H 211 -1.148 -32.253 -6.654 1.00 20.42 C +ATOM 6483 C VAL H 211 -0.065 -31.792 -7.614 1.00 24.58 C +ATOM 6484 O VAL H 211 0.798 -30.992 -7.251 1.00 23.96 O +ATOM 6485 CB VAL H 211 -1.915 -31.082 -6.024 1.00 17.68 C +ATOM 6486 CG1 VAL H 211 -2.575 -30.195 -7.095 1.00 19.65 C +ATOM 6487 CG2 VAL H 211 -2.962 -31.632 -5.033 1.00 20.38 C +ATOM 6488 H VAL H 211 0.013 -32.649 -4.897 1.00 20.08 H +ATOM 6489 HA VAL H 211 -1.858 -32.864 -7.211 1.00 20.42 H +ATOM 6490 HB VAL H 211 -1.206 -30.471 -5.466 1.00 17.68 H +ATOM 6491 HG11 VAL H 211 -3.109 -29.377 -6.611 1.00 19.65 H +ATOM 6492 HG12 VAL H 211 -1.808 -29.788 -7.754 1.00 19.65 H +ATOM 6493 HG13 VAL H 211 -3.276 -30.791 -7.679 1.00 19.65 H +ATOM 6494 HG21 VAL H 211 -3.509 -30.803 -4.584 1.00 20.38 H +ATOM 6495 HG22 VAL H 211 -3.659 -32.281 -5.563 1.00 20.38 H +ATOM 6496 HG23 VAL H 211 -2.459 -32.201 -4.251 1.00 20.38 H +ATOM 6497 N GLU H 212 -0.118 -32.326 -8.833 1.00 24.67 N +ATOM 6498 CA GLU H 212 0.913 -32.069 -9.831 1.00 29.64 C +ATOM 6499 C GLU H 212 0.417 -31.245 -11.018 1.00 29.34 C +ATOM 6500 O GLU H 212 -0.764 -31.319 -11.369 1.00 25.61 O +ATOM 6501 CB GLU H 212 1.485 -33.399 -10.323 1.00 31.50 C +ATOM 6502 CG GLU H 212 2.206 -34.160 -9.239 1.00 41.93 C +ATOM 6503 CD GLU H 212 2.795 -35.460 -9.723 1.00 47.61 C +ATOM 6504 OE1 GLU H 212 2.024 -36.364 -10.123 1.00 50.28 O +ATOM 6505 OE2 GLU H 212 4.035 -35.583 -9.678 1.00 52.18 O +ATOM 6506 H GLU H 212 -0.888 -32.928 -9.088 1.00 24.67 H +ATOM 6507 HA GLU H 212 1.718 -31.514 -9.349 1.00 29.64 H +ATOM 6508 HB3 GLU H 212 2.168 -33.215 -11.152 1.00 31.50 H +ATOM 6509 HB2 GLU H 212 0.679 -34.014 -10.723 1.00 31.50 H +ATOM 6510 HG3 GLU H 212 1.518 -34.358 -8.417 1.00 41.93 H +ATOM 6511 HG2 GLU H 212 2.998 -33.536 -8.824 1.00 41.93 H +ATOM 6512 N PRO H 213 1.317 -30.453 -11.646 1.00 29.69 N +ATOM 6513 CA PRO H 213 0.926 -29.840 -12.920 1.00 32.23 C +ATOM 6514 C PRO H 213 0.503 -30.957 -13.895 1.00 34.53 C +ATOM 6515 O PRO H 213 1.121 -32.020 -13.894 1.00 32.75 O +ATOM 6516 CB PRO H 213 2.216 -29.154 -13.388 1.00 33.16 C +ATOM 6517 CG PRO H 213 3.007 -28.928 -12.134 1.00 28.54 C +ATOM 6518 CD PRO H 213 2.698 -30.101 -11.257 1.00 31.29 C +ATOM 6519 HA PRO H 213 0.124 -29.116 -12.779 1.00 32.23 H +ATOM 6520 HB3 PRO H 213 1.971 -28.192 -13.839 1.00 33.16 H +ATOM 6521 HB2 PRO H 213 2.766 -29.828 -14.045 1.00 33.16 H +ATOM 6522 HG3 PRO H 213 2.663 -28.014 -11.650 1.00 28.54 H +ATOM 6523 HG2 PRO H 213 4.070 -28.925 -12.373 1.00 28.54 H +ATOM 6524 HD2 PRO H 213 3.364 -30.925 -11.511 1.00 31.29 H +ATOM 6525 HD3 PRO H 213 2.708 -29.783 -10.214 1.00 31.29 H +ATOM 6526 N LYS H 214 -0.552 -30.745 -14.684 1.00 40.54 N +ATOM 6527 CA LYS H 214 -1.057 -31.801 -15.589 1.00 45.30 C +ATOM 6528 C LYS H 214 -0.427 -31.772 -16.988 1.00 50.54 C +ATOM 6529 O LYS H 214 -0.211 -30.703 -17.568 1.00 51.70 O +ATOM 6530 CB LYS H 214 -2.579 -31.765 -15.687 1.00 0.00 C +ATOM 6531 CG LYS H 214 -3.156 -32.871 -16.575 1.00 0.00 C +ATOM 6532 CD LYS H 214 -4.688 -32.950 -16.578 1.00 0.00 C +ATOM 6533 CE LYS H 214 -5.401 -31.814 -17.323 1.00 0.00 C +ATOM 6534 NZ LYS H 214 -6.867 -31.963 -17.335 1.00 0.00 N +ATOM 6535 H LYS H 214 -1.021 -29.851 -14.670 1.00 40.54 H +ATOM 6536 HA LYS H 214 -0.790 -32.758 -15.140 1.00 45.30 H +ATOM 6537 HXT LYS H 214 -0.172 -32.707 -17.465 1.00 50.54 H +ATOM 6538 HB2 LYS H 214 -3.011 -31.885 -14.693 1.00 0.00 H +ATOM 6539 HB3 LYS H 214 -2.895 -30.810 -16.107 1.00 0.00 H +ATOM 6540 HG2 LYS H 214 -2.846 -32.708 -17.607 1.00 0.00 H +ATOM 6541 HG3 LYS H 214 -2.790 -33.840 -16.235 1.00 0.00 H +ATOM 6542 HD2 LYS H 214 -5.004 -33.879 -17.053 1.00 0.00 H +ATOM 6543 HD3 LYS H 214 -5.055 -32.925 -15.552 1.00 0.00 H +ATOM 6544 HE2 LYS H 214 -5.169 -30.863 -16.845 1.00 0.00 H +ATOM 6545 HE3 LYS H 214 -5.063 -31.791 -18.359 1.00 0.00 H +ATOM 6546 HZ1 LYS H 214 -7.213 -31.971 -16.386 1.00 0.00 H +ATOM 6547 HZ2 LYS H 214 -7.280 -31.191 -17.837 1.00 0.00 H +ATOM 6548 HZ3 LYS H 214 -7.114 -32.831 -17.790 1.00 0.00 H +TER 6549 LYS H 214 +END diff --git a/test/PDB/BondsRestoring/4dn4_ag_b.mae b/test/PDB/BondsRestoring/4dn4_ag_b.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/4dn4_ag_b.mae @@ -0,0 +1,2074 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_pdb_PDB_format_version + s_m_source_file + i_m_source_file_index + i_m_ct_format + ::: + "" + 3.0 + /data/user/asadovnikov/git/abase/data/4dn4_H+L|M/prepared_schrod/4dn4_ag_b.pdb + 1 + 2 + m_atom[1003] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + s_m_pdb_residue_name + s_m_pdb_atom_name + i_m_atomic_number + i_m_formal_charge + i_m_secondary_structure + r_m_pdb_occupancy + r_m_pdb_tfactor + i_m_pdb_convert_problem + i_pdb_PDB_serial + i_pdb_seqres_index + ::: + 1 26 -54.962000 66.935000 -5.075000 9 V M 100 "VAL " " N " 7 0 0 1 56.66 5 1 9 + 2 3 -55.777000 66.490000 -6.246000 9 V M 100 "VAL " " CA " 6 0 0 1 56.18 5 2 9 + 3 2 -57.265000 66.639000 -5.931000 9 V M 100 "VAL " " C " 6 0 0 1 54.54 5 3 9 + 4 15 -57.743000 66.164000 -4.899000 9 V M 100 "VAL " " O " 8 0 0 1 54.46 5 4 9 + 5 3 -55.417000 65.039000 -6.679000 9 V M 100 "VAL " " CB " 6 0 0 1 57.1 5 5 9 + 6 3 -56.482000 64.442000 -7.606000 9 V M 100 "VAL " " CG1" 6 0 0 1 57.79 5 6 9 + 7 3 -54.040000 65.006000 -7.344000 9 V M 100 "VAL " " CG2" 6 0 0 1 59.44 5 7 9 + 8 43 -53.980000 66.834000 -5.290000 9 V M 100 "VAL " " H1 " 1 0 0 1 56.66 5 8 9 + 9 43 -55.164000 67.904000 -4.872000 9 V M 100 "VAL " " H2 " 1 0 0 1 56.66 5 9 9 + 10 41 -55.547000 67.152000 -7.081000 9 V M 100 "VAL " " HA " 1 0 0 1 56.18 5 10 9 + 11 41 -55.371000 64.423000 -5.781000 9 V M 100 "VAL " " HB " 1 0 0 1 57.1 5 11 9 + 12 41 -56.194000 63.429000 -7.886000 9 V M 100 "VAL " "HG11" 1 0 0 1 57.79 5 12 9 + 13 41 -57.441000 64.417000 -7.089000 9 V M 100 "VAL " "HG12" 1 0 0 1 57.79 5 13 9 + 14 41 -56.569000 65.055000 -8.503000 9 V M 100 "VAL " "HG13" 1 0 0 1 57.79 5 14 9 + 15 41 -53.804000 63.984000 -7.641000 9 V M 100 "VAL " "HG21" 1 0 0 1 59.44 5 15 9 + 16 41 -54.046000 65.647000 -8.225000 9 V M 100 "VAL " "HG22" 1 0 0 1 59.44 5 16 9 + 17 41 -53.288000 65.363000 -6.641000 9 V M 100 "VAL " "HG23" 1 0 0 1 59.44 5 17 9 + 18 25 -57.988000 67.301000 -6.831000 10 T M 2 "THR " " N " 7 0 0 1 53.12 <> 18 10 + 19 3 -59.380000 67.674000 -6.587000 10 T M 2 "THR " " CA " 6 0 0 1 51.54 <> 19 10 + 20 2 -60.370000 66.553000 -6.904000 10 T M 2 "THR " " C " 6 0 0 1 50.45 <> 20 10 + 21 15 -60.808000 65.840000 -6.005000 10 T M 2 "THR " " O " 8 0 0 1 49.69 <> 21 10 + 22 3 -59.754000 68.981000 -7.325000 10 T M 2 "THR " " CB " 6 0 0 1 50.33 <> 22 10 + 23 16 -58.859000 70.021000 -6.917000 10 T M 2 "THR " " OG1" 8 0 0 1 53.9 <> 23 10 + 24 3 -61.184000 69.408000 -6.998000 10 T M 2 "THR " " CG2" 6 0 0 1 57.55 <> 24 10 + 25 43 -57.577000 67.562000 -7.716000 10 T M 2 "THR " " H " 1 0 0 1 53.12 <> 25 10 + 26 41 -59.468000 67.879000 -5.520000 10 T M 2 "THR " " HA " 1 0 0 1 51.54 <> 26 10 + 27 41 -59.661000 68.827000 -8.400000 10 T M 2 "THR " " HB " 1 0 0 1 50.33 <> 27 10 + 28 42 -59.086000 70.836000 -7.372000 10 T M 2 "THR " " HG1" 1 0 0 1 53.9 <> 28 10 + 29 41 -61.419000 70.329000 -7.531000 10 T M 2 "THR " "HG21" 1 0 0 1 57.55 <> 29 10 + 30 41 -61.877000 68.624000 -7.305000 10 T M 2 "THR " "HG22" 1 0 0 1 57.55 <> 30 10 + 31 41 -61.277000 69.575000 -5.925000 10 T M 2 "THR " "HG23" 1 0 0 1 57.55 <> 31 10 + 32 25 -60.714000 66.407000 -8.180000 11 C M 2 "CYS " " N " 7 0 0 1 49.65 <> 32 11 + 33 3 -61.690000 65.422000 -8.620000 11 C M 2 "CYS " " CA " 6 0 0 1 47.61 <> 33 11 + 34 2 -61.025000 64.386000 -9.516000 11 C M 2 "CYS " " C " 6 0 0 1 46.85 <> 34 11 + 35 15 -59.889000 64.579000 -9.954000 11 C M 2 "CYS " " O " 8 0 0 1 46.37 <> 35 11 + 36 3 -62.837000 66.119000 -9.356000 11 C M 2 "CYS " " CB " 6 0 0 1 47.15 <> 36 11 + 37 49 -64.111000 66.806000 -8.267000 11 C M 2 "CYS " " SG " 16 0 0 1 51.9 <> 37 11 + 38 43 -60.293000 66.993000 -8.887000 11 C M 2 "CYS " " H " 1 0 0 1 49.65 <> 38 11 + 39 41 -62.095000 64.916000 -7.743000 11 C M 2 "CYS " " HA " 1 0 0 1 47.61 <> 39 11 + 40 41 -63.297000 65.419000 -10.053000 11 C M 2 "CYS " " HB3" 1 0 0 1 47.15 <> 40 11 + 41 41 -62.433000 66.912000 -9.985000 11 C M 2 "CYS " " HB2" 1 0 0 1 47.15 <> 41 11 + 42 25 -61.730000 63.292000 -9.787000 12 C M 2 "CYS " " N " 7 0 0 1 47.05 <> 42 12 + 43 3 -61.223000 62.258000 -10.687000 12 C M 2 "CYS " " CA " 6 0 0 1 48.08 <> 43 12 + 44 2 -62.050000 62.161000 -11.968000 12 C M 2 "CYS " " C " 6 0 0 1 48.75 <> 44 12 + 45 15 -63.282000 62.079000 -11.927000 12 C M 2 "CYS " " O " 8 0 0 1 50.69 <> 45 12 + 46 3 -61.153000 60.904000 -9.981000 12 C M 2 "CYS " " CB " 6 0 0 1 47.99 <> 46 12 + 47 49 -59.984000 60.849000 -8.597000 12 C M 2 "CYS " " SG " 16 0 0 1 56.11 <> 47 12 + 48 43 -62.639000 63.160000 -9.367000 12 C M 2 "CYS " " H " 1 0 0 1 47.05 <> 48 12 + 49 41 -60.208000 62.536000 -10.970000 12 C M 2 "CYS " " HA " 1 0 0 1 48.08 <> 49 12 + 50 41 -60.892000 60.132000 -10.705000 12 C M 2 "CYS " " HB3" 1 0 0 1 47.99 <> 50 12 + 51 41 -62.146000 60.630000 -9.626000 12 C M 2 "CYS " " HB2" 1 0 0 1 47.99 <> 51 12 + 52 25 -61.358000 62.170000 -13.103000 13 Y M 2 "TYR " " N " 7 0 0 1 48.2 <> 52 13 + 53 3 -62.008000 62.162000 -14.409000 13 Y M 2 "TYR " " CA " 6 0 0 1 47.8 <> 53 13 + 54 2 -61.679000 60.885000 -15.180000 13 Y M 2 "TYR " " C " 6 0 0 1 47.74 <> 54 13 + 55 15 -62.518000 60.368000 -15.919000 13 Y M 2 "TYR " " O " 8 0 0 1 48.43 <> 55 13 + 56 3 -61.619000 63.415000 -15.194000 13 Y M 2 "TYR " " CB " 6 0 0 1 47.91 <> 56 13 + 57 2 -61.683000 64.678000 -14.358000 13 Y M 2 "TYR " " CG " 6 0 0 1 49.02 <> 57 13 + 58 2 -60.517000 65.310000 -13.922000 13 Y M 2 "TYR " " CD1" 6 0 0 1 76.76 <> 58 13 + 59 2 -62.911000 65.241000 -14.003000 13 Y M 2 "TYR " " CD2" 6 0 0 1 56.38 <> 59 13 + 60 2 -60.570000 66.471000 -13.152000 13 Y M 2 "TYR " " CE1" 6 0 0 1 28.47 <> 60 13 + 61 2 -62.976000 66.402000 -13.233000 13 Y M 2 "TYR " " CE2" 6 0 0 1 42 <> 61 13 + 62 2 -61.802000 67.010000 -12.813000 13 Y M 2 "TYR " " CZ " 6 0 0 1 90.24 <> 62 13 + 63 16 -61.860000 68.156000 -12.054000 13 Y M 2 "TYR " " OH " 8 0 0 1 56.76 <> 63 13 + 64 43 -60.348000 62.183000 -13.079000 13 Y M 2 "TYR " " H " 1 0 0 1 48.2 <> 64 13 + 65 41 -63.086000 62.188000 -14.248000 13 Y M 2 "TYR " " HA " 1 0 0 1 47.8 <> 65 13 + 66 41 -62.275000 63.519000 -16.058000 13 Y M 2 "TYR " " HB3" 1 0 0 1 47.91 <> 66 13 + 67 41 -60.611000 63.295000 -15.592000 13 Y M 2 "TYR " " HB2" 1 0 0 1 47.91 <> 67 13 + 68 41 -59.552000 64.900000 -14.180000 13 Y M 2 "TYR " " HD1" 1 0 0 1 76.76 <> 68 13 + 69 41 -63.831000 64.777000 -14.325000 13 Y M 2 "TYR " " HD2" 1 0 0 1 56.38 <> 69 13 + 70 41 -59.656000 66.944000 -12.824000 13 Y M 2 "TYR " " HE1" 1 0 0 1 28.47 <> 70 13 + 71 41 -63.935000 66.821000 -12.968000 13 Y M 2 "TYR " " HE2" 1 0 0 1 42 <> 71 13 + 72 42 -62.749000 68.516000 -12.085000 13 Y M 2 "TYR " " HH " 1 0 0 1 56.76 <> 72 13 + 73 25 -60.458000 60.389000 -15.001000 14 N M 2 "ASN " " N " 7 0 0 1 47.51 <> 73 14 + 74 3 -60.060000 59.074000 -15.493000 14 N M 2 "ASN " " CA " 6 0 0 1 48.02 <> 74 14 + 75 2 -59.475000 58.235000 -14.371000 14 N M 2 "ASN " " C " 6 0 0 1 48.03 <> 75 14 + 76 15 -58.746000 58.749000 -13.522000 14 N M 2 "ASN " " O " 8 0 0 1 48.78 <> 76 14 + 77 3 -59.032000 59.193000 -16.618000 14 N M 2 "ASN " " CB " 6 0 0 1 48.48 <> 77 14 + 78 2 -59.637000 59.693000 -17.913000 14 N M 2 "ASN " " CG " 6 0 0 1 55.21 <> 78 14 + 79 15 -59.766000 58.799000 -18.894000 14 N M 2 "ASN " " OD1" 8 0 0 1 49.65 <> 79 14 + 80 25 -59.985000 60.867000 -18.035000 14 N M 2 "ASN " " ND2" 7 0 0 1 39.88 <> 80 14 + 81 43 -59.761000 60.928000 -14.507000 14 N M 2 "ASN " " H " 1 0 0 1 47.51 <> 81 14 + 82 41 -60.943000 58.567000 -15.882000 14 N M 2 "ASN " " HA " 1 0 0 1 48.02 <> 82 14 + 83 41 -58.566000 58.222000 -16.787000 14 N M 2 "ASN " " HB3" 1 0 0 1 48.48 <> 83 14 + 84 41 -58.232000 59.866000 -16.308000 14 N M 2 "ASN " " HB2" 1 0 0 1 48.48 <> 84 14 + 85 43 -60.387000 61.187000 -18.905000 14 N M 2 "ASN " "HD22" 1 0 0 1 39.88 <> 85 14 + 86 43 -59.869000 61.511000 -17.266000 14 N M 2 "ASN " "HD21" 1 0 0 1 39.88 <> 86 14 + 87 25 -59.795000 56.945000 -14.370000 15 F M 2 "PHE " " N " 7 0 0 1 48.3 <> 87 15 + 88 3 -59.224000 56.021000 -13.396000 15 F M 2 "PHE " " CA " 6 0 0 1 48.9 <> 88 15 + 89 2 -57.920000 55.427000 -13.905000 15 F M 2 "PHE " " C " 6 0 0 1 49.4 <> 89 15 + 90 15 -57.719000 55.300000 -15.113000 15 F M 2 "PHE " " O " 8 0 0 1 50.62 <> 90 15 + 91 3 -60.209000 54.896000 -13.058000 15 F M 2 "PHE " " CB " 6 0 0 1 47.85 <> 91 15 + 92 2 -61.429000 55.356000 -12.313000 15 F M 2 "PHE " " CG " 6 0 0 1 51.12 <> 92 15 + 93 2 -62.700000 54.985000 -12.741000 15 F M 2 "PHE " " CD1" 6 0 0 1 114.2 <> 93 15 + 94 2 -61.312000 56.160000 -11.182000 15 F M 2 "PHE " " CD2" 6 0 0 1 92.34 <> 94 15 + 95 2 -63.837000 55.408000 -12.054000 15 F M 2 "PHE " " CE1" 6 0 0 1 113.72 <> 95 15 + 96 2 -62.441000 56.587000 -10.492000 15 F M 2 "PHE " " CE2" 6 0 0 1 68.14 <> 96 15 + 97 2 -63.705000 56.211000 -10.927000 15 F M 2 "PHE " " CZ " 6 0 0 1 81.63 <> 97 15 + 98 43 -60.446000 56.586000 -15.053000 15 F M 2 "PHE " " H " 1 0 0 1 48.3 <> 98 15 + 99 41 -59.013000 56.576000 -12.482000 15 F M 2 "PHE " " HA " 1 0 0 1 48.9 <> 99 15 + 100 41 -59.697000 54.130000 -12.475000 15 F M 2 "PHE " " HB3" 1 0 0 1 47.85 <> 100 15 + 101 41 -60.514000 54.395000 -13.977000 15 F M 2 "PHE " " HB2" 1 0 0 1 47.85 <> 101 15 + 102 41 -62.815000 54.362000 -13.616000 15 F M 2 "PHE " " HD1" 1 0 0 1 114.2 <> 102 15 + 103 41 -60.336000 56.459000 -10.831000 15 F M 2 "PHE " " HD2" 1 0 0 1 92.34 <> 103 15 + 104 41 -64.817000 55.112000 -12.398000 15 F M 2 "PHE " " HE1" 1 0 0 1 113.72 <> 104 15 + 105 41 -62.335000 57.211000 -9.617000 15 F M 2 "PHE " " HE2" 1 0 0 1 68.14 <> 105 15 + 106 41 -64.584000 56.540000 -10.393000 15 F M 2 "PHE " " HZ " 1 0 0 1 81.63 <> 106 15 + 107 25 -57.038000 55.066000 -12.977000 16 T M 2 "THR " " N " 7 0 0 1 50.01 <> 107 16 + 108 3 -55.871000 54.259000 -13.303000 16 T M 2 "THR " " CA " 6 0 0 1 51.52 <> 108 16 + 109 2 -56.365000 52.896000 -13.774000 16 T M 2 "THR " " C " 6 0 0 1 52.54 <> 109 16 + 110 15 -57.301000 52.335000 -13.199000 16 T M 2 "THR " " O " 8 0 0 1 53.22 <> 110 16 + 111 3 -54.913000 54.094000 -12.091000 16 T M 2 "THR " " CB " 6 0 0 1 51.63 <> 111 16 + 112 16 -53.673000 53.518000 -12.520000 16 T M 2 "THR " " OG1" 8 0 0 1 52.23 <> 112 16 + 113 3 -55.524000 53.206000 -10.999000 16 T M 2 "THR " " CG2" 6 0 0 1 54.97 <> 113 16 + 114 43 -57.169000 55.352000 -12.017000 16 T M 2 "THR " " H " 1 0 0 1 50.01 <> 114 16 + 115 41 -55.328000 54.738000 -14.118000 16 T M 2 "THR " " HA " 1 0 0 1 51.52 <> 115 16 + 116 41 -54.713000 55.079000 -11.668000 16 T M 2 "THR " " HB " 1 0 0 1 51.63 <> 116 16 + 117 42 -53.044000 54.217000 -12.711000 16 T M 2 "THR " " HG1" 1 0 0 1 52.23 <> 117 16 + 118 41 -54.823000 53.116000 -10.169000 16 T M 2 "THR " "HG21" 1 0 0 1 54.97 <> 118 16 + 119 41 -56.452000 53.654000 -10.643000 16 T M 2 "THR " "HG22" 1 0 0 1 54.97 <> 119 16 + 120 41 -55.732000 52.217000 -11.408000 16 T M 2 "THR " "HG23" 1 0 0 1 54.97 <> 120 16 + 121 25 -55.741000 52.366000 -14.818000 17 N M 2 "ASN " " N " 7 0 0 1 53.89 <> 121 17 + 122 3 -56.112000 51.047000 -15.323000 17 N M 2 "ASN " " CA " 6 0 0 1 54.67 <> 122 17 + 123 2 -55.037000 50.001000 -15.048000 17 N M 2 "ASN " " C " 6 0 0 1 53.5 <> 123 17 + 124 15 -55.024000 48.933000 -15.666000 17 N M 2 "ASN " " O " 8 0 0 1 55.5 <> 124 17 + 125 3 -56.463000 51.111000 -16.817000 17 N M 2 "ASN " " CB " 6 0 0 1 55.28 <> 125 17 + 126 2 -57.854000 51.682000 -17.070000 17 N M 2 "ASN " " CG " 6 0 0 1 60.47 <> 126 17 + 127 15 -58.737000 51.614000 -16.211000 17 N M 2 "ASN " " OD1" 8 0 0 1 84.27 <> 127 17 + 128 25 -58.052000 52.250000 -18.258000 17 N M 2 "ASN " " ND2" 7 0 0 1 50.62 <> 128 17 + 129 43 -54.998000 52.876000 -15.275000 17 N M 2 "ASN " " H " 1 0 0 1 53.89 <> 129 17 + 130 41 -57.011000 50.736000 -14.791000 17 N M 2 "ASN " " HA " 1 0 0 1 54.67 <> 130 17 + 131 41 -56.398000 50.112000 -17.248000 17 N M 2 "ASN " " HB3" 1 0 0 1 55.28 <> 131 17 + 132 41 -55.722000 51.718000 -17.337000 17 N M 2 "ASN " " HB2" 1 0 0 1 55.28 <> 132 17 + 133 43 -58.953000 52.646000 -18.484000 17 N M 2 "ASN " "HD22" 1 0 0 1 50.62 <> 133 17 + 134 43 -57.301000 52.285000 -18.933000 17 N M 2 "ASN " "HD21" 1 0 0 1 50.62 <> 134 17 + 135 25 -54.141000 50.318000 -14.117000 18 R M 2 "ARG " " N " 7 0 0 1 50.52 <> 135 18 + 136 3 -53.028000 49.440000 -13.786000 18 R M 2 "ARG " " CA " 6 0 0 1 48.56 <> 136 18 + 137 2 -52.910000 49.254000 -12.279000 18 R M 2 "ARG " " C " 6 0 0 1 47.09 <> 137 18 + 138 15 -52.719000 50.221000 -11.538000 18 R M 2 "ARG " " O " 8 0 0 1 46.4 <> 138 18 + 139 3 -51.726000 49.999000 -14.367000 18 R M 2 "ARG " " CB " 6 0 0 1 49.11 <> 139 18 + 140 3 -50.542000 49.057000 -14.274000 18 R M 2 "ARG " " CG " 6 0 0 1 47.33 <> 140 18 + 141 3 -49.301000 49.688000 -14.872000 18 R M 2 "ARG " " CD " 6 0 0 1 35.8 <> 141 18 + 142 25 -48.103000 48.922000 -14.537000 18 R M 2 "ARG " " NE " 7 0 0 1 50.73 <> 142 18 + 143 2 -46.855000 49.311000 -14.788000 18 R M 2 "ARG " " CZ " 6 0 0 1 16.96 <> 143 18 + 144 25 -46.611000 50.471000 -15.385000 18 R M 2 "ARG " " NH1" 7 0 0 1 36.06 <> 144 18 + 145 31 -45.845000 48.530000 -14.436000 18 R M 2 "ARG " " NH2" 7 1 0 1 31.86 <> 145 18 + 146 43 -54.221000 51.191000 -13.615000 18 R M 2 "ARG " " H " 1 0 0 1 50.52 <> 146 18 + 147 41 -53.214000 48.466000 -14.238000 18 R M 2 "ARG " " HA " 1 0 0 1 48.56 <> 147 18 + 148 41 -51.481000 50.937000 -13.868000 18 R M 2 "ARG " " HB3" 1 0 0 1 49.11 <> 148 18 + 149 41 -51.885000 50.277000 -15.409000 18 R M 2 "ARG " " HB2" 1 0 0 1 49.11 <> 149 18 + 150 41 -50.771000 48.133000 -14.805000 18 R M 2 "ARG " " HG3" 1 0 0 1 47.33 <> 150 18 + 151 41 -50.356000 48.810000 -13.229000 18 R M 2 "ARG " " HG2" 1 0 0 1 47.33 <> 151 18 + 152 41 -49.196000 50.707000 -14.499000 18 R M 2 "ARG " " HD3" 1 0 0 1 35.8 <> 152 18 + 153 41 -49.407000 49.741000 -15.956000 18 R M 2 "ARG " " HD2" 1 0 0 1 35.8 <> 153 18 + 154 43 -48.274000 48.037000 -14.082000 18 R M 2 "ARG " " HE " 1 0 0 1 50.73 <> 154 18 + 155 43 -45.659000 50.754000 -15.569000 18 R M 2 "ARG " "HH12" 1 0 0 1 36.06 <> 155 18 + 156 43 -47.377000 51.071000 -15.655000 18 R M 2 "ARG " "HH11" 1 0 0 1 36.06 <> 156 18 + 157 44 -44.895000 48.818000 -14.623000 18 R M 2 "ARG " "HH22" 1 0 0 1 31.86 <> 157 18 + 158 44 -46.025000 47.647000 -13.981000 18 R M 2 "ARG " "HH21" 1 0 0 1 31.86 <> 158 18 + 159 25 -53.028000 48.003000 -11.840000 19 K M 2 "LYS " " N " 7 0 0 1 46.27 <> 159 19 + 160 3 -52.931000 47.650000 -10.426000 19 K M 2 "LYS " " CA " 6 0 0 1 45.96 <> 160 19 + 161 2 -51.572000 48.043000 -9.835000 19 K M 2 "LYS " " C " 6 0 0 1 45.28 <> 161 19 + 162 15 -50.522000 47.749000 -10.418000 19 K M 2 "LYS " " O " 8 0 0 1 45.45 <> 162 19 + 163 3 -53.184000 46.150000 -10.230000 19 K M 2 "LYS " " CB " 6 0 0 1 45.4 <> 163 19 + 164 3 -53.143000 45.696000 -8.774000 19 K M 2 "LYS " " CG " 6 0 0 1 52.78 <> 164 19 + 165 3 -52.911000 44.201000 -8.637000 19 K M 2 "LYS " " CD " 6 0 0 1 116.21 <> 165 19 + 166 3 -52.790000 43.809000 -7.171000 19 K M 2 "LYS " " CE " 6 0 0 1 85.01 <> 166 19 + 167 32 -52.192000 42.457000 -6.998000 19 K M 2 "LYS " " NZ " 7 1 0 1 46.96 <> 167 19 + 168 43 -53.192000 47.251000 -12.495000 19 K M 2 "LYS " " H " 1 0 0 1 46.27 <> 168 19 + 169 41 -53.705000 48.197000 -9.887000 19 K M 2 "LYS " " HA " 1 0 0 1 45.96 <> 169 19 + 170 41 -52.454000 45.582000 -10.806000 19 K M 2 "LYS " " HB3" 1 0 0 1 45.4 <> 170 19 + 171 41 -54.149000 45.887000 -10.664000 19 K M 2 "LYS " " HB2" 1 0 0 1 45.4 <> 171 19 + 172 41 -54.079000 45.964000 -8.285000 19 K M 2 "LYS " " HG3" 1 0 0 1 52.78 <> 172 19 + 173 41 -52.354000 46.235000 -8.249000 19 K M 2 "LYS " " HG2" 1 0 0 1 52.78 <> 173 19 + 174 41 -51.997000 43.926000 -9.163000 19 K M 2 "LYS " " HD3" 1 0 0 1 116.21 <> 174 19 + 175 41 -53.743000 43.662000 -9.089000 19 K M 2 "LYS " " HD2" 1 0 0 1 116.21 <> 175 19 + 176 41 -53.776000 43.831000 -6.707000 19 K M 2 "LYS " " HE3" 1 0 0 1 85.01 <> 176 19 + 177 41 -52.179000 44.545000 -6.648000 19 K M 2 "LYS " " HE2" 1 0 0 1 85.01 <> 177 19 + 178 44 -51.311000 42.413000 -7.490000 19 K M 2 "LYS " " HZ1" 1 0 0 1 46.96 <> 178 19 + 179 44 -52.038000 42.280000 -6.016000 19 K M 2 "LYS " " HZ2" 1 0 0 1 46.96 <> 179 19 + 180 44 -52.821000 41.760000 -7.371000 19 K M 2 "LYS " " HZ3" 1 0 0 1 46.96 <> 180 19 + 181 25 -51.615000 48.707000 -8.679000 20 I M 2 "ILE " " N " 7 0 0 1 43.69 <> 181 20 + 182 3 -50.422000 49.082000 -7.919000 20 I M 2 "ILE " " CA " 6 0 0 1 42.07 <> 182 20 + 183 2 -50.239000 48.120000 -6.742000 20 I M 2 "ILE " " C " 6 0 0 1 41.76 <> 183 20 + 184 15 -51.215000 47.695000 -6.120000 20 I M 2 "ILE " " O " 8 0 0 1 42.58 <> 184 20 + 185 3 -50.522000 50.532000 -7.372000 20 I M 2 "ILE " " CB " 6 0 0 1 41.16 <> 185 20 + 186 3 -51.039000 51.494000 -8.445000 20 I M 2 "ILE " " CG1" 6 0 0 1 42.71 <> 186 20 + 187 3 -49.170000 51.015000 -6.845000 20 I M 2 "ILE " " CG2" 6 0 0 1 45.76 <> 187 20 + 188 3 -51.580000 52.809000 -7.898000 20 I M 2 "ILE " " CD1" 6 0 0 1 20.08 <> 188 20 + 189 43 -52.505000 48.978000 -8.285000 20 I M 2 "ILE " " H " 1 0 0 1 43.69 <> 189 20 + 190 41 -49.552000 49.011000 -8.571000 20 I M 2 "ILE " " HA " 1 0 0 1 42.07 <> 190 20 + 191 41 -51.230000 50.535000 -6.543000 20 I M 2 "ILE " " HB " 1 0 0 1 41.16 <> 191 20 + 192 41 -51.815000 51.000000 -9.030000 20 I M 2 "ILE " "HG13" 1 0 0 1 42.71 <> 192 20 + 193 41 -50.242000 51.701000 -9.159000 20 I M 2 "ILE " "HG12" 1 0 0 1 42.71 <> 193 20 + 194 41 -49.269000 52.033000 -6.468000 20 I M 2 "ILE " "HG21" 1 0 0 1 45.76 <> 194 20 + 195 41 -48.839000 50.360000 -6.039000 20 I M 2 "ILE " "HG22" 1 0 0 1 45.76 <> 195 20 + 196 41 -48.437000 50.996000 -7.652000 20 I M 2 "ILE " "HG23" 1 0 0 1 45.76 <> 196 20 + 197 41 -51.925000 53.432000 -8.723000 20 I M 2 "ILE " "HD11" 1 0 0 1 20.08 <> 197 20 + 198 41 -52.412000 52.608000 -7.223000 20 I M 2 "ILE " "HD12" 1 0 0 1 20.08 <> 198 20 + 199 41 -50.791000 53.330000 -7.356000 20 I M 2 "ILE " "HD13" 1 0 0 1 20.08 <> 199 20 + 200 25 -48.987000 47.783000 -6.442000 21 S M 2 "SER " " N " 7 0 0 1 41.68 <> 200 21 + 201 3 -48.648000 47.024000 -5.241000 21 S M 2 "SER " " CA " 6 0 0 1 42.93 <> 201 21 + 202 2 -48.910000 47.860000 -3.988000 21 S M 2 "SER " " C " 6 0 0 1 44.27 <> 202 21 + 203 15 -48.605000 49.057000 -3.959000 21 S M 2 "SER " " O " 8 0 0 1 44.75 <> 203 21 + 204 3 -47.178000 46.614000 -5.273000 21 S M 2 "SER " " CB " 6 0 0 1 42.89 <> 204 21 + 205 16 -46.808000 45.972000 -4.065000 21 S M 2 "SER " " OG " 8 0 0 1 44.34 <> 205 21 + 206 43 -48.231000 48.053000 -7.055000 21 S M 2 "SER " " H " 1 0 0 1 41.68 <> 206 21 + 207 41 -49.265000 46.126000 -5.203000 21 S M 2 "SER " " HA " 1 0 0 1 42.93 <> 207 21 + 208 41 -46.558000 47.498000 -5.419000 21 S M 2 "SER " " HB3" 1 0 0 1 42.89 <> 208 21 + 209 41 -47.008000 45.937000 -6.110000 21 S M 2 "SER " " HB2" 1 0 0 1 42.89 <> 209 21 + 210 42 -47.064000 45.047000 -4.102000 21 S M 2 "SER " " HG " 1 0 0 1 44.34 <> 210 21 + 211 25 -49.472000 47.226000 -2.958000 22 V M 2 "VAL " " N " 7 0 0 1 44.55 <> 211 22 + 212 3 -49.753000 47.907000 -1.686000 22 V M 2 "VAL " " CA " 6 0 0 1 44.58 <> 212 22 + 213 2 -48.476000 48.449000 -1.036000 22 V M 2 "VAL " " C " 6 0 0 1 44.13 <> 213 22 + 214 15 -48.528000 49.405000 -0.260000 22 V M 2 "VAL " " O " 8 0 0 1 45.12 <> 214 22 + 215 3 -50.535000 47.011000 -0.675000 22 V M 2 "VAL " " CB " 6 0 0 1 45.77 <> 215 22 + 216 3 -51.961000 46.750000 -1.162000 22 V M 2 "VAL " " CG1" 6 0 0 1 43.42 <> 216 22 + 217 3 -49.795000 45.696000 -0.394000 22 V M 2 "VAL " " CG2" 6 0 0 1 47.05 <> 217 22 + 218 43 -49.717000 46.250000 -3.039000 22 V M 2 "VAL " " H " 1 0 0 1 44.55 <> 218 22 + 219 41 -50.387000 48.764000 -1.913000 22 V M 2 "VAL " " HA " 1 0 0 1 44.58 <> 219 22 + 220 41 -50.603000 47.558000 0.265000 22 V M 2 "VAL " " HB " 1 0 0 1 45.77 <> 220 22 + 221 41 -52.483000 46.123000 -0.439000 22 V M 2 "VAL " "HG11" 1 0 0 1 43.42 <> 221 22 + 222 41 -52.488000 47.698000 -1.269000 22 V M 2 "VAL " "HG12" 1 0 0 1 43.42 <> 222 22 + 223 41 -51.929000 46.242000 -2.126000 22 V M 2 "VAL " "HG13" 1 0 0 1 43.42 <> 223 22 + 224 41 -50.370000 45.099000 0.314000 22 V M 2 "VAL " "HG21" 1 0 0 1 47.05 <> 224 22 + 225 41 -49.675000 45.140000 -1.324000 22 V M 2 "VAL " "HG22" 1 0 0 1 47.05 <> 225 22 + 226 41 -48.814000 45.914000 0.028000 22 V M 2 "VAL " "HG23" 1 0 0 1 47.05 <> 226 22 + 227 25 -47.341000 47.829000 -1.362000 23 Q M 2 "GLN " " N " 7 0 0 1 42.45 <> 227 23 + 228 3 -46.025000 48.262000 -0.880000 23 Q M 2 "GLN " " CA " 6 0 0 1 40.34 <> 228 23 + 229 2 -45.670000 49.686000 -1.313000 23 Q M 2 "GLN " " C " 6 0 0 1 38.88 <> 229 23 + 230 15 -44.764000 50.305000 -0.748000 23 Q M 2 "GLN " " O " 8 0 0 1 37.85 <> 230 23 + 231 3 -44.937000 47.306000 -1.369000 23 Q M 2 "GLN " " CB " 6 0 0 1 40.25 <> 231 23 + 232 3 -45.015000 45.898000 -0.799000 23 Q M 2 "GLN " " CG " 6 0 0 1 37.88 <> 232 23 + 233 2 -43.829000 45.040000 -1.212000 23 Q M 2 "GLN " " CD " 6 0 0 1 121.52 <> 233 23 + 234 15 -44.088000 43.765000 -1.473000 23 Q M 2 "GLN " " OE1" 8 0 0 1 35.95 <> 234 23 + 235 25 -42.694000 45.518000 -1.295000 23 Q M 2 "GLN " " NE2" 7 0 0 1 25.18 <> 235 23 + 236 43 -47.363000 47.021000 -1.968000 23 Q M 2 "GLN " " H " 1 0 0 1 42.45 <> 236 23 + 237 41 -46.037000 48.232000 0.210000 23 Q M 2 "GLN " " HA " 1 0 0 1 40.34 <> 237 23 + 238 41 -43.958000 47.731000 -1.148000 23 Q M 2 "GLN " " HB3" 1 0 0 1 40.25 <> 238 23 + 239 41 -44.963000 47.256000 -2.458000 23 Q M 2 "GLN " " HB2" 1 0 0 1 40.25 <> 239 23 + 240 41 -45.939000 45.423000 -1.131000 23 Q M 2 "GLN " " HG3" 1 0 0 1 37.88 <> 240 23 + 241 41 -45.064000 45.950000 0.289000 23 Q M 2 "GLN " " HG2" 1 0 0 1 37.88 <> 241 23 + 242 43 -41.918000 44.933000 -1.571000 23 Q M 2 "GLN " "HE22" 1 0 0 1 25.18 <> 242 23 + 243 43 -42.541000 46.494000 -1.087000 23 Q M 2 "GLN " "HE21" 1 0 0 1 25.18 <> 243 23 + 244 25 -46.389000 50.194000 -2.314000 24 R M 2 "ARG " " N " 7 0 0 1 37.91 <> 244 24 + 245 3 -46.146000 51.528000 -2.869000 24 R M 2 "ARG " " CA " 6 0 0 1 36.6 <> 245 24 + 246 2 -47.215000 52.513000 -2.432000 24 R M 2 "ARG " " C " 6 0 0 1 34.81 <> 246 24 + 247 15 -47.205000 53.675000 -2.842000 24 R M 2 "ARG " " O " 8 0 0 1 33.42 <> 247 24 + 248 3 -46.111000 51.479000 -4.401000 24 R M 2 "ARG " " CB " 6 0 0 1 36.58 <> 248 24 + 249 3 -45.098000 50.520000 -4.991000 24 R M 2 "ARG " " CG " 6 0 0 1 37.05 <> 249 24 + 250 3 -43.673000 51.000000 -4.783000 24 R M 2 "ARG " " CD " 6 0 0 1 62.4 <> 250 24 + 251 25 -42.779000 50.412000 -5.776000 24 R M 2 "ARG " " NE " 7 0 0 1 68.26 <> 251 24 + 252 2 -42.168000 49.240000 -5.640000 24 R M 2 "ARG " " CZ " 6 0 0 1 27.54 <> 252 24 + 253 25 -42.343000 48.505000 -4.548000 24 R M 2 "ARG " " NH1" 7 0 0 1 62.7 <> 253 24 + 254 31 -41.377000 48.800000 -6.604000 24 R M 2 "ARG " " NH2" 7 1 0 1 41.81 <> 254 24 + 255 43 -47.138000 49.654000 -2.723000 24 R M 2 "ARG " " H " 1 0 0 1 37.91 <> 255 24 + 256 41 -45.180000 51.883000 -2.511000 24 R M 2 "ARG " " HA " 1 0 0 1 36.6 <> 256 24 + 257 41 -45.928000 52.481000 -4.790000 24 R M 2 "ARG " " HB3" 1 0 0 1 36.58 <> 257 24 + 258 41 -47.104000 51.231000 -4.776000 24 R M 2 "ARG " " HB2" 1 0 0 1 36.58 <> 258 24 + 259 41 -45.289000 50.402000 -6.058000 24 R M 2 "ARG " " HG3" 1 0 0 1 37.05 <> 259 24 + 260 41 -45.220000 49.538000 -4.535000 24 R M 2 "ARG " " HG2" 1 0 0 1 37.05 <> 260 24 + 261 41 -43.339000 50.722000 -3.784000 24 R M 2 "ARG " " HD3" 1 0 0 1 62.4 <> 261 24 + 262 41 -43.641000 52.087000 -4.864000 24 R M 2 "ARG " " HD2" 1 0 0 1 62.4 <> 262 24 + 263 43 -42.638000 50.961000 -6.612000 24 R M 2 "ARG " " HE " 1 0 0 1 68.26 <> 263 24 + 264 43 -41.873000 47.616000 -4.457000 24 R M 2 "ARG " "HH12" 1 0 0 1 62.7 <> 264 24 + 265 43 -42.946000 48.835000 -3.808000 24 R M 2 "ARG " "HH11" 1 0 0 1 62.7 <> 265 24 + 266 44 -40.910000 47.910000 -6.507000 24 R M 2 "ARG " "HH22" 1 0 0 1 41.81 <> 266 24 + 267 44 -41.240000 49.354000 -7.437000 24 R M 2 "ARG " "HH21" 1 0 0 1 41.81 <> 267 24 + 268 25 -48.136000 52.040000 -1.599000 25 L M 2 "LEU " " N " 7 0 2 1 34.56 <> 268 25 + 269 3 -49.257000 52.854000 -1.156000 25 L M 2 "LEU " " CA " 6 0 2 1 34.49 <> 269 25 + 270 2 -49.118000 53.226000 0.315000 25 L M 2 "LEU " " C " 6 0 2 1 34.89 <> 270 25 + 271 15 -48.941000 52.359000 1.176000 25 L M 2 "LEU " " O " 8 0 2 1 34.91 <> 271 25 + 272 3 -50.582000 52.134000 -1.427000 25 L M 2 "LEU " " CB " 6 0 2 1 34.2 <> 272 25 + 273 3 -50.846000 51.682000 -2.870000 25 L M 2 "LEU " " CG " 6 0 2 1 33.38 <> 273 25 + 274 3 -52.201000 50.986000 -2.985000 25 L M 2 "LEU " " CD1" 6 0 2 1 12.77 <> 274 25 + 275 3 -50.748000 52.846000 -3.859000 25 L M 2 "LEU " " CD2" 6 0 2 1 20.88 <> 275 25 + 276 43 -48.068000 51.092000 -1.257000 25 L M 2 "LEU " " H " 1 0 2 1 34.56 <> 276 25 + 277 41 -49.252000 53.776000 -1.737000 25 L M 2 "LEU " " HA " 1 0 2 1 34.49 <> 277 25 + 278 41 -51.407000 52.763000 -1.092000 25 L M 2 "LEU " " HB3" 1 0 2 1 34.2 <> 278 25 + 279 41 -50.666000 51.275000 -0.761000 25 L M 2 "LEU " " HB2" 1 0 2 1 34.2 <> 279 25 + 280 41 -50.077000 50.956000 -3.136000 25 L M 2 "LEU " " HG " 1 0 2 1 33.38 <> 280 25 + 281 41 -52.364000 50.675000 -4.017000 25 L M 2 "LEU " "HD11" 1 0 2 1 12.77 <> 281 25 + 282 41 -52.217000 50.110000 -2.336000 25 L M 2 "LEU " "HD12" 1 0 2 1 12.77 <> 282 25 + 283 41 -52.990000 51.675000 -2.684000 25 L M 2 "LEU " "HD13" 1 0 2 1 12.77 <> 283 25 + 284 41 -50.942000 52.483000 -4.868000 25 L M 2 "LEU " "HD21" 1 0 2 1 20.88 <> 284 25 + 285 41 -51.484000 53.607000 -3.600000 25 L M 2 "LEU " "HD22" 1 0 2 1 20.88 <> 285 25 + 286 41 -49.748000 53.278000 -3.814000 25 L M 2 "LEU " "HD23" 1 0 2 1 20.88 <> 286 25 + 287 25 -49.199000 54.525000 0.588000 26 A M 2 "ALA " " N " 7 0 2 1 35.22 <> 287 26 + 288 3 -49.071000 55.043000 1.944000 26 A M 2 "ALA " " CA " 6 0 2 1 35.41 <> 288 26 + 289 2 -50.427000 55.074000 2.641000 26 A M 2 "ALA " " C " 6 0 2 1 35.83 <> 289 26 + 290 15 -50.558000 54.589000 3.764000 26 A M 2 "ALA " " O " 8 0 2 1 35.83 <> 290 26 + 291 3 -48.435000 56.431000 1.930000 26 A M 2 "ALA " " CB " 6 0 2 1 34.77 <> 291 26 + 292 43 -49.354000 55.189000 -0.157000 26 A M 2 "ALA " " H " 1 0 2 1 35.22 <> 292 26 + 293 41 -48.416000 54.374000 2.503000 26 A M 2 "ALA " " HA " 1 0 2 1 35.41 <> 293 26 + 294 41 -48.348000 56.801000 2.951000 26 A M 2 "ALA " " HB1" 1 0 2 1 34.77 <> 294 26 + 295 41 -47.444000 56.373000 1.479000 26 A M 2 "ALA " " HB2" 1 0 2 1 34.77 <> 295 26 + 296 41 -49.058000 57.111000 1.349000 26 A M 2 "ALA " " HB3" 1 0 2 1 34.77 <> 296 26 + 297 25 -51.424000 55.644000 1.965000 27 S M 2 "SER " " N " 7 0 2 1 36.33 <> 297 27 + 298 3 -52.778000 55.793000 2.504000 27 S M 2 "SER " " CA " 6 0 2 1 37.05 <> 298 27 + 299 2 -53.784000 56.089000 1.388000 27 S M 2 "SER " " C " 6 0 2 1 37.68 <> 299 27 + 300 15 -53.399000 56.336000 0.244000 27 S M 2 "SER " " O " 8 0 2 1 37.88 <> 300 27 + 301 3 -52.815000 56.912000 3.549000 27 S M 2 "SER " " CB " 6 0 2 1 36.33 <> 301 27 + 302 16 -52.239000 58.099000 3.031000 27 S M 2 "SER " " OG " 8 0 2 1 36.26 <> 302 27 + 303 43 -51.264000 55.999000 1.033000 27 S M 2 "SER " " H " 1 0 2 1 36.33 <> 303 27 + 304 41 -53.063000 54.859000 2.988000 27 S M 2 "SER " " HA " 1 0 2 1 37.05 <> 304 27 + 305 41 -52.265000 56.599000 4.436000 27 S M 2 "SER " " HB3" 1 0 2 1 36.33 <> 305 27 + 306 41 -53.848000 57.106000 3.837000 27 S M 2 "SER " " HB2" 1 0 2 1 36.33 <> 306 27 + 307 42 -52.730000 58.382000 2.256000 27 S M 2 "SER " " HG " 1 0 2 1 36.26 <> 307 27 + 308 25 -55.070000 56.063000 1.727000 28 Y M 2 "TYR " " N " 7 0 2 1 37.57 <> 308 28 + 309 3 -56.128000 56.393000 0.775000 28 Y M 2 "TYR " " CA " 6 0 2 1 37.23 <> 309 28 + 310 2 -57.149000 57.348000 1.379000 28 Y M 2 "TYR " " C " 6 0 2 1 37.31 <> 310 28 + 311 15 -57.252000 57.479000 2.598000 28 Y M 2 "TYR " " O " 8 0 2 1 38.67 <> 311 28 + 312 3 -56.836000 55.126000 0.273000 28 Y M 2 "TYR " " CB " 6 0 2 1 37.71 <> 312 28 + 313 2 -57.778000 54.480000 1.278000 28 Y M 2 "TYR " " CG " 6 0 2 1 35.69 <> 313 28 + 314 2 -59.160000 54.660000 1.190000 28 Y M 2 "TYR " " CD1" 6 0 2 1 74.72 <> 314 28 + 315 2 -57.284000 53.689000 2.315000 28 Y M 2 "TYR " " CD2" 6 0 2 1 28.11 <> 315 28 + 316 2 -60.024000 54.066000 2.114000 28 Y M 2 "TYR " " CE1" 6 0 2 1 45.9 <> 316 28 + 317 2 -58.135000 53.095000 3.238000 28 Y M 2 "TYR " " CE2" 6 0 2 1 73.62 <> 317 28 + 318 2 -59.501000 53.286000 3.133000 28 Y M 2 "TYR " " CZ " 6 0 2 1 41.33 <> 318 28 + 319 16 -60.340000 52.694000 4.051000 28 Y M 2 "TYR " " OH " 8 0 2 1 62.48 <> 319 28 + 320 43 -55.339000 55.810000 2.667000 28 Y M 2 "TYR " " H " 1 0 2 1 37.57 <> 320 28 + 321 41 -55.670000 56.886000 -0.082000 28 Y M 2 "TYR " " HA " 1 0 2 1 37.23 <> 321 28 + 322 41 -56.090000 54.397000 -0.042000 28 Y M 2 "TYR " " HB3" 1 0 2 1 37.71 <> 322 28 + 323 41 -57.386000 55.357000 -0.639000 28 Y M 2 "TYR " " HB2" 1 0 2 1 37.71 <> 323 28 + 324 41 -59.576000 55.266000 0.399000 28 Y M 2 "TYR " " HD1" 1 0 2 1 74.72 <> 324 28 + 325 41 -56.220000 53.528000 2.412000 28 Y M 2 "TYR " " HD2" 1 0 2 1 28.11 <> 325 28 + 326 41 -61.090000 54.217000 2.031000 28 Y M 2 "TYR " " HE1" 1 0 2 1 45.9 <> 326 28 + 327 41 -57.729000 52.487000 4.033000 28 Y M 2 "TYR " " HE2" 1 0 2 1 73.62 <> 327 28 + 328 42 -59.820000 52.193000 4.684000 28 Y M 2 "TYR " " HH " 1 0 2 1 62.48 <> 328 28 + 329 25 -57.897000 58.009000 0.505000 29 R M 2 "ARG " " N " 7 0 2 1 36.82 <> 329 29 + 330 3 -59.035000 58.822000 0.895000 29 R M 2 "ARG " " CA " 6 0 2 1 36.4 <> 330 29 + 331 2 -60.123000 58.641000 -0.155000 29 R M 2 "ARG " " C " 6 0 2 1 38.38 <> 331 29 + 332 15 -59.835000 58.466000 -1.342000 29 R M 2 "ARG " " O " 8 0 2 1 39.15 <> 332 29 + 333 3 -58.643000 60.297000 1.050000 29 R M 2 "ARG " " CB " 6 0 2 1 35.54 <> 333 29 + 334 3 -58.202000 61.003000 -0.227000 29 R M 2 "ARG " " CG " 6 0 2 1 32.51 <> 334 29 + 335 3 -57.713000 62.411000 0.072000 29 R M 2 "ARG " " CD " 6 0 2 1 21.07 <> 335 29 + 336 25 -57.127000 63.060000 -1.101000 29 R M 2 "ARG " " NE " 7 0 2 1 29.43 <> 336 29 + 337 2 -57.791000 63.860000 -1.933000 29 R M 2 "ARG " " CZ " 6 0 2 1 36.89 <> 337 29 + 338 25 -57.167000 64.400000 -2.968000 29 R M 2 "ARG " " NH1" 7 0 2 1 32.83 <> 338 29 + 339 31 -59.077000 64.124000 -1.737000 29 R M 2 "ARG " " NH2" 7 1 2 1 16.77 <> 339 29 + 340 43 -57.684000 57.959000 -0.481000 29 R M 2 "ARG " " H " 1 0 2 1 36.82 <> 340 29 + 341 41 -59.411000 58.459000 1.852000 29 R M 2 "ARG " " HA " 1 0 2 1 36.4 <> 341 29 + 342 41 -57.856000 60.383000 1.799000 29 R M 2 "ARG " " HB3" 1 0 2 1 35.54 <> 342 29 + 343 41 -59.473000 60.845000 1.496000 29 R M 2 "ARG " " HB2" 1 0 2 1 35.54 <> 343 29 + 344 41 -59.039000 61.050000 -0.923000 29 R M 2 "ARG " " HG3" 1 0 2 1 32.51 <> 344 29 + 345 41 -57.401000 60.433000 -0.699000 29 R M 2 "ARG " " HG2" 1 0 2 1 32.51 <> 345 29 + 346 41 -56.975000 62.376000 0.873000 29 R M 2 "ARG " " HD3" 1 0 2 1 21.07 <> 346 29 + 347 41 -58.544000 63.012000 0.442000 29 R M 2 "ARG " " HD2" 1 0 2 1 21.07 <> 347 29 + 348 43 -56.149000 62.866000 -1.260000 29 R M 2 "ARG " " HE " 1 0 2 1 29.43 <> 348 29 + 349 43 -57.669000 65.007000 -3.600000 29 R M 2 "ARG " "HH12" 1 0 2 1 32.83 <> 349 29 + 350 43 -56.189000 64.205000 -3.126000 29 R M 2 "ARG " "HH11" 1 0 2 1 32.83 <> 350 29 + 351 44 -59.571000 64.732000 -2.375000 29 R M 2 "ARG " "HH22" 1 0 2 1 16.77 <> 351 29 + 352 44 -59.562000 63.717000 -0.950000 29 R M 2 "ARG " "HH21" 1 0 2 1 16.77 <> 352 29 + 353 25 -61.373000 58.683000 0.282000 30 R M 2 "ARG " " N " 7 0 2 1 39.38 <> 353 30 + 354 3 -62.487000 58.513000 -0.632000 30 R M 2 "ARG " " CA " 6 0 2 1 39.75 <> 354 30 + 355 2 -62.932000 59.865000 -1.162000 30 R M 2 "ARG " " C " 6 0 2 1 40.91 <> 355 30 + 356 15 -62.601000 60.909000 -0.593000 30 R M 2 "ARG " " O " 8 0 2 1 39.89 <> 356 30 + 357 3 -63.651000 57.799000 0.059000 30 R M 2 "ARG " " CB " 6 0 2 1 39.97 <> 357 30 + 358 3 -63.395000 56.336000 0.363000 30 R M 2 "ARG " " CG " 6 0 2 1 35.92 <> 358 30 + 359 3 -64.624000 55.695000 0.997000 30 R M 2 "ARG " " CD " 6 0 2 1 85.3 <> 359 30 + 360 25 -64.580000 54.234000 0.945000 30 R M 2 "ARG " " NE " 7 0 2 1 42.78 <> 360 30 + 361 2 -64.918000 53.501000 -0.116000 30 R M 2 "ARG " " CZ " 6 0 2 1 145.38 <> 361 30 + 362 25 -65.334000 54.079000 -1.240000 30 R M 2 "ARG " " NH1" 7 0 2 1 50.89 <> 362 30 + 363 31 -64.840000 52.180000 -0.053000 30 R M 2 "ARG " " NH2" 7 1 2 1 96.35 <> 363 30 + 364 43 -61.560000 58.835000 1.263000 30 R M 2 "ARG " " H " 1 0 2 1 39.38 <> 364 30 + 365 41 -62.156000 57.903000 -1.472000 30 R M 2 "ARG " " HA " 1 0 2 1 39.75 <> 365 30 + 366 41 -64.546000 57.889000 -0.556000 30 R M 2 "ARG " " HB3" 1 0 2 1 39.97 <> 366 30 + 367 41 -63.898000 58.322000 0.983000 30 R M 2 "ARG " " HB2" 1 0 2 1 39.97 <> 367 30 + 368 41 -62.548000 56.250000 1.044000 30 R M 2 "ARG " " HG3" 1 0 2 1 35.92 <> 368 30 + 369 41 -63.147000 55.811000 -0.560000 30 R M 2 "ARG " " HG2" 1 0 2 1 35.92 <> 369 30 + 370 41 -65.521000 56.049000 0.488000 30 R M 2 "ARG " " HD3" 1 0 2 1 85.3 <> 370 30 + 371 41 -64.707000 56.018000 2.035000 30 R M 2 "ARG " " HD2" 1 0 2 1 85.3 <> 371 30 + 372 43 -64.266000 53.782000 1.792000 30 R M 2 "ARG " " HE " 1 0 2 1 42.78 <> 372 30 + 373 43 -65.587000 53.511000 -2.036000 30 R M 2 "ARG " "HH12" 1 0 2 1 50.89 <> 373 30 + 374 43 -65.397000 55.085000 -1.297000 30 R M 2 "ARG " "HH11" 1 0 2 1 50.89 <> 374 30 + 375 44 -65.095000 51.620000 -0.854000 30 R M 2 "ARG " "HH22" 1 0 2 1 96.35 <> 375 30 + 376 44 -64.526000 51.733000 0.796000 30 R M 2 "ARG " "HH21" 1 0 2 1 96.35 <> 376 30 + 377 25 -63.684000 59.832000 -2.257000 31 I M 2 "ILE " " N " 7 0 2 1 43.02 <> 377 31 + 378 3 -64.356000 61.011000 -2.782000 31 I M 2 "ILE " " CA " 6 0 2 1 45.39 <> 378 31 + 379 2 -65.738000 60.594000 -3.284000 31 I M 2 "ILE " " C " 6 0 2 1 47.61 <> 379 31 + 380 15 -65.920000 59.458000 -3.733000 31 I M 2 "ILE " " O " 8 0 2 1 46.72 <> 380 31 + 381 3 -63.505000 61.740000 -3.858000 31 I M 2 "ILE " " CB " 6 0 2 1 45.45 <> 381 31 + 382 3 -63.817000 63.237000 -3.841000 31 I M 2 "ILE " " CG1" 6 0 2 1 46.27 <> 382 31 + 383 3 -63.689000 61.128000 -5.254000 31 I M 2 "ILE " " CG2" 6 0 2 1 46.06 <> 383 31 + 384 3 -62.814000 64.080000 -4.570000 31 I M 2 "ILE " " CD1" 6 0 2 1 163.18 <> 384 31 + 385 43 -63.807000 58.964000 -2.759000 31 I M 2 "ILE " " H " 1 0 2 1 43.02 <> 385 31 + 386 41 -64.502000 61.703000 -1.953000 31 I M 2 "ILE " " HA " 1 0 2 1 45.39 <> 386 31 + 387 41 -62.457000 61.620000 -3.583000 31 I M 2 "ILE " " HB " 1 0 2 1 45.45 <> 387 31 + 388 41 -63.894000 63.578000 -2.809000 31 I M 2 "ILE " "HG13" 1 0 2 1 46.27 <> 388 31 + 389 41 -64.807000 63.405000 -4.266000 31 I M 2 "ILE " "HG12" 1 0 2 1 46.27 <> 389 31 + 390 41 -63.075000 61.670000 -5.973000 31 I M 2 "ILE " "HG21" 1 0 2 1 46.06 <> 390 31 + 391 41 -63.386000 60.081000 -5.235000 31 I M 2 "ILE " "HG22" 1 0 2 1 46.06 <> 391 31 + 392 41 -64.737000 61.198000 -5.547000 31 I M 2 "ILE " "HG23" 1 0 2 1 46.06 <> 392 31 + 393 41 -63.108000 65.128000 -4.511000 31 I M 2 "ILE " "HD11" 1 0 2 1 163.18 <> 393 31 + 394 41 -61.832000 63.952000 -4.115000 31 I M 2 "ILE " "HD12" 1 0 2 1 163.18 <> 394 31 + 395 41 -62.772000 63.773000 -5.615000 31 I M 2 "ILE " "HD13" 1 0 2 1 163.18 <> 395 31 + 396 25 -66.707000 61.505000 -3.210000 32 T M 2 "THR " " N " 7 0 0 1 51.06 <> 396 32 + 397 3 -68.107000 61.138000 -3.469000 32 T M 2 "THR " " CA " 6 0 0 1 53.71 <> 397 32 + 398 2 -68.727000 61.752000 -4.723000 32 T M 2 "THR " " C " 6 0 0 1 56.06 <> 398 32 + 399 15 -68.222000 62.728000 -5.289000 32 T M 2 "THR " " O " 8 0 0 1 55.71 <> 399 32 + 400 3 -69.035000 61.422000 -2.256000 32 T M 2 "THR " " CB " 6 0 0 1 53.39 <> 400 32 + 401 16 -69.034000 62.825000 -1.965000 32 T M 2 "THR " " OG1" 8 0 0 1 55.31 <> 401 32 + 402 3 -68.591000 60.627000 -1.024000 32 T M 2 "THR " " CG2" 6 0 0 1 48.52 <> 402 32 + 403 43 -66.484000 62.461000 -2.974000 32 T M 2 "THR " " H " 1 0 0 1 51.06 <> 403 32 + 404 41 -68.119000 60.058000 -3.618000 32 T M 2 "THR " " HA " 1 0 0 1 53.71 <> 404 32 + 405 41 -70.050000 61.122000 -2.517000 32 T M 2 "THR " " HB " 1 0 0 1 53.39 <> 405 32 + 406 42 -68.141000 63.108000 -1.755000 32 T M 2 "THR " " HG1" 1 0 0 1 55.31 <> 406 32 + 407 41 -69.258000 60.845000 -0.190000 32 T M 2 "THR " "HG21" 1 0 0 1 48.52 <> 407 32 + 408 41 -68.626000 59.561000 -1.247000 32 T M 2 "THR " "HG22" 1 0 0 1 48.52 <> 408 32 + 409 41 -67.572000 60.909000 -0.757000 32 T M 2 "THR " "HG23" 1 0 0 1 48.52 <> 409 32 + 410 25 -69.838000 61.142000 -5.130000 33 S M 2 "SER " " N " 7 0 0 1 58.72 <> 410 33 + 411 3 -70.577000 61.486000 -6.337000 33 S M 2 "SER " " CA " 6 0 0 1 61.33 <> 411 33 + 412 2 -71.335000 62.819000 -6.242000 33 S M 2 "SER " " C " 6 0 0 1 63.26 <> 412 33 + 413 15 -72.233000 63.086000 -7.044000 33 S M 2 "SER " " O " 8 0 0 1 63.87 <> 413 33 + 414 3 -71.546000 60.344000 -6.663000 33 S M 2 "SER " " CB " 6 0 0 1 60.74 <> 414 33 + 415 16 -72.195000 60.552000 -7.901000 33 S M 2 "SER " " OG " 8 0 0 1 66.1 <> 415 33 + 416 43 -70.225000 60.382000 -4.588000 33 S M 2 "SER " " H " 1 0 0 1 58.72 <> 416 33 + 417 41 -69.863000 61.564000 -7.157000 33 S M 2 "SER " " HA " 1 0 0 1 61.33 <> 417 33 + 418 41 -72.291000 60.264000 -5.872000 33 S M 2 "SER " " HB3" 1 0 0 1 60.74 <> 418 33 + 419 41 -70.999000 59.402000 -6.694000 33 S M 2 "SER " " HB2" 1 0 0 1 60.74 <> 419 33 + 420 42 -72.412000 61.482000 -7.997000 33 S M 2 "SER " " HG " 1 0 0 1 66.1 <> 420 33 + 421 25 -70.974000 63.649000 -5.267000 34 S M 2 "SER " " N " 7 0 0 1 65.61 <> 421 34 + 422 3 -71.582000 64.971000 -5.109000 34 S M 2 "SER " " CA " 6 0 0 1 68.88 <> 422 34 + 423 2 -70.537000 66.085000 -5.163000 34 S M 2 "SER " " C " 6 0 0 1 70.6 <> 423 34 + 424 15 -69.430000 65.937000 -4.632000 34 S M 2 "SER " " O " 8 0 0 1 70.91 <> 424 34 + 425 3 -72.399000 65.051000 -3.815000 34 S M 2 "SER " " CB " 6 0 0 1 69.2 <> 425 34 + 426 16 -71.644000 64.614000 -2.699000 34 S M 2 "SER " " OG " 8 0 0 1 74.5 <> 426 34 + 427 43 -70.260000 63.373000 -4.608000 34 S M 2 "SER " " H " 1 0 0 1 65.61 <> 427 34 + 428 41 -72.268000 65.121000 -5.943000 34 S M 2 "SER " " HA " 1 0 0 1 68.88 <> 428 34 + 429 41 -73.293000 64.435000 -3.912000 34 S M 2 "SER " " HB3" 1 0 0 1 69.2 <> 429 34 + 430 41 -72.723000 66.079000 -3.654000 34 S M 2 "SER " " HB2" 1 0 0 1 69.2 <> 430 34 + 431 42 -70.866000 65.167000 -2.602000 34 S M 2 "SER " " HG " 1 0 0 1 74.5 <> 431 34 + 432 25 -70.907000 67.194000 -5.808000 35 K M 2 "LYS " " N " 7 0 0 1 72.38 <> 432 35 + 433 3 -69.997000 68.318000 -6.096000 35 K M 2 "LYS " " CA " 6 0 0 1 73.59 <> 433 35 + 434 2 -68.719000 67.892000 -6.843000 35 K M 2 "LYS " " C " 6 0 0 1 73.86 <> 434 35 + 435 15 -67.748000 68.652000 -6.919000 35 K M 2 "LYS " " O " 8 0 0 1 73.78 <> 435 35 + 436 3 -69.663000 69.091000 -4.824000 35 K M 2 "LYS " " CB " 6 0 0 1 <> <> 436 35 + 437 3 -69.371000 70.574000 -5.074000 35 K M 2 "LYS " " CG " 6 0 0 1 <> <> 437 35 + 438 3 -68.982000 71.366000 -3.819000 35 K M 2 "LYS " " CD " 6 0 0 1 <> <> 438 35 + 439 3 -68.685000 72.854000 -4.050000 35 K M 2 "LYS " " CE " 6 0 0 1 <> <> 439 35 + 440 32 -68.317000 73.566000 -2.814000 35 K M 2 "LYS " " NZ " 7 1 0 1 <> <> 440 35 + 441 43 -71.859000 67.298000 -6.129000 35 K M 2 "LYS " " H " 1 0 0 1 72.38 <> 441 35 + 442 41 -70.535000 69.002000 -6.752000 35 K M 2 "LYS " " HA " 1 0 0 1 73.59 <> 442 35 + 443 41 -70.504000 69.035000 -4.133000 35 K M 2 "LYS " " HB2" 1 0 0 1 <> <> 443 35 + 444 41 -68.780000 68.658000 -4.355000 35 K M 2 "LYS " " HB3" 1 0 0 1 <> <> 444 35 + 445 41 -68.543000 70.668000 -5.777000 35 K M 2 "LYS " " HG2" 1 0 0 1 <> <> 445 35 + 446 41 -70.256000 71.054000 -5.490000 35 K M 2 "LYS " " HG3" 1 0 0 1 <> <> 446 35 + 447 41 -69.795000 71.321000 -3.094000 35 K M 2 "LYS " " HD2" 1 0 0 1 <> <> 447 35 + 448 41 -68.082000 70.935000 -3.381000 35 K M 2 "LYS " " HD3" 1 0 0 1 <> <> 448 35 + 449 41 -67.855000 72.955000 -4.749000 35 K M 2 "LYS " " HE2" 1 0 0 1 <> <> 449 35 + 450 41 -69.568000 73.341000 -4.462000 35 K M 2 "LYS " " HE3" 1 0 0 1 <> <> 450 35 + 451 44 -67.541000 73.095000 -2.371000 35 K M 2 "LYS " " HZ1" 1 0 0 1 <> <> 451 35 + 452 44 -68.051000 74.514000 -3.038000 35 K M 2 "LYS " " HZ2" 1 0 0 1 <> <> 452 35 + 453 44 -69.107000 73.579000 -2.184000 35 K M 2 "LYS " " HZ3" 1 0 0 1 <> <> 453 35 + 454 25 -68.740000 66.672000 -7.388000 36 C M 2 "CYS " " N " 7 0 0 1 73.86 <> 454 36 + 455 3 -67.566000 66.032000 -7.989000 36 C M 2 "CYS " " CA " 6 0 0 1 73.08 <> 455 36 + 456 2 -67.990000 64.803000 -8.820000 36 C M 2 "CYS " " C " 6 0 0 1 71.67 <> 456 36 + 457 15 -68.629000 63.892000 -8.287000 36 C M 2 "CYS " " O " 8 0 0 1 71.69 <> 457 36 + 458 3 -66.573000 65.638000 -6.886000 36 C M 2 "CYS " " CB " 6 0 0 1 73.16 <> 458 36 + 459 49 -64.927000 65.140000 -7.425000 36 C M 2 "CYS " " SG " 16 0 0 1 73.91 <> 459 36 + 460 43 -69.598000 66.139000 -7.400000 36 C M 2 "CYS " " H " 1 0 0 1 73.86 <> 460 36 + 461 41 -67.082000 66.749000 -8.652000 36 C M 2 "CYS " " HA " 1 0 0 1 73.08 <> 461 36 + 462 41 -67.007000 64.844000 -6.279000 36 C M 2 "CYS " " HB3" 1 0 0 1 73.16 <> 462 36 + 463 41 -66.485000 66.458000 -6.173000 36 C M 2 "CYS " " HB2" 1 0 0 1 73.16 <> 463 36 + 464 25 -67.633000 64.785000 -10.126000 37 P M 2 "PRO " " N " 7 0 0 1 70.19 <> 464 37 + 465 3 -68.024000 63.830000 -11.182000 37 P M 2 "PRO " " CA " 6 0 0 1 68.02 <> 465 37 + 466 2 -68.323000 62.379000 -10.777000 37 P M 2 "PRO " " C " 6 0 0 1 66.17 <> 466 37 + 467 15 -69.473000 61.949000 -10.878000 37 P M 2 "PRO " " O " 8 0 0 1 66.06 <> 467 37 + 468 3 -66.836000 63.886000 -12.145000 37 P M 2 "PRO " " CB " 6 0 0 1 67.58 <> 468 37 + 469 3 -66.377000 65.301000 -12.058000 37 P M 2 "PRO " " CG " 6 0 0 1 70.18 <> 469 37 + 470 3 -66.732000 65.820000 -10.672000 37 P M 2 "PRO " " CD " 6 0 0 1 70.96 <> 470 37 + 471 41 -68.899000 64.228000 -11.696000 37 P M 2 "PRO " " HA " 1 0 0 1 68.02 <> 471 37 + 472 41 -67.183000 63.681000 -13.158000 37 P M 2 "PRO " " HB3" 1 0 0 1 67.58 <> 472 37 + 473 41 -66.046000 63.228000 -11.782000 37 P M 2 "PRO " " HB2" 1 0 0 1 67.58 <> 473 37 + 474 41 -66.892000 65.897000 -12.811000 37 P M 2 "PRO " " HG3" 1 0 0 1 70.18 <> 474 37 + 475 41 -65.296000 65.341000 -12.195000 37 P M 2 "PRO " " HG2" 1 0 0 1 70.18 <> 475 37 + 476 41 -65.829000 65.869000 -10.063000 37 P M 2 "PRO " " HD2" 1 0 0 1 70.96 <> 476 37 + 477 41 -67.277000 66.759000 -10.767000 37 P M 2 "PRO " " HD3" 1 0 0 1 70.96 <> 477 37 + 478 25 -67.315000 61.633000 -10.327000 38 K M 2 "LYS " " N " 7 0 0 1 64.3 <> 478 38 + 479 3 -67.512000 60.221000 -9.990000 38 K M 2 "LYS " " CA " 6 0 0 1 62.34 <> 479 38 + 480 2 -66.873000 59.827000 -8.661000 38 K M 2 "LYS " " C " 6 0 0 1 59.91 <> 480 38 + 481 15 -65.790000 60.301000 -8.321000 38 K M 2 "LYS " " O " 8 0 0 1 60.13 <> 481 38 + 482 3 -66.996000 59.318000 -11.117000 38 K M 2 "LYS " " CB " 6 0 0 1 62.52 <> 482 38 + 483 3 -67.524000 57.889000 -11.044000 38 K M 2 "LYS " " CG " 6 0 0 1 68.27 <> 483 38 + 484 3 -67.297000 57.120000 -12.332000 38 K M 2 "LYS " " CD " 6 0 0 1 143.57 <> 484 38 + 485 3 -68.040000 55.795000 -12.294000 38 K M 2 "LYS " " CE " 6 0 0 1 98.16 <> 485 38 + 486 32 -67.846000 55.006000 -13.536000 38 K M 2 "LYS " " NZ " 7 1 0 1 37.98 <> 486 38 + 487 43 -66.397000 62.039000 -10.213000 38 K M 2 "LYS " " H " 1 0 0 1 64.3 <> 487 38 + 488 41 -68.585000 60.052000 -9.900000 38 K M 2 "LYS " " HA " 1 0 0 1 62.34 <> 488 38 + 489 41 -65.906000 59.302000 -11.098000 38 K M 2 "LYS " " HB3" 1 0 0 1 62.52 <> 489 38 + 490 41 -67.263000 59.753000 -12.080000 38 K M 2 "LYS " " HB2" 1 0 0 1 62.52 <> 490 38 + 491 41 -68.590000 57.908000 -10.816000 38 K M 2 "LYS " " HG3" 1 0 0 1 68.27 <> 491 38 + 492 41 -67.040000 57.366000 -10.219000 38 K M 2 "LYS " " HG2" 1 0 0 1 68.27 <> 492 38 + 493 41 -66.231000 56.935000 -12.461000 38 K M 2 "LYS " " HD3" 1 0 0 1 143.57 <> 493 38 + 494 41 -67.653000 57.712000 -13.176000 38 K M 2 "LYS " " HD2" 1 0 0 1 143.57 <> 494 38 + 495 41 -69.104000 55.980000 -12.145000 38 K M 2 "LYS " " HE3" 1 0 0 1 98.16 <> 495 38 + 496 41 -67.699000 55.213000 -11.438000 38 K M 2 "LYS " " HE2" 1 0 0 1 98.16 <> 496 38 + 497 44 -66.863000 54.810000 -13.661000 38 K M 2 "LYS " " HZ1" 1 0 0 1 37.98 <> 497 38 + 498 44 -68.356000 54.137000 -13.466000 38 K M 2 "LYS " " HZ2" 1 0 0 1 37.98 <> 498 38 + 499 44 -68.187000 55.533000 -14.327000 38 K M 2 "LYS " " HZ3" 1 0 0 1 37.98 <> 499 38 + 500 25 -67.555000 58.957000 -7.917000 39 E M 2 "GLU " " N " 7 0 0 1 57.7 <> 500 39 + 501 3 -67.032000 58.455000 -6.649000 39 E M 2 "GLU " " CA " 6 0 0 1 56.58 <> 501 39 + 502 2 -65.760000 57.643000 -6.890000 39 E M 2 "GLU " " C " 6 0 0 1 55.09 <> 502 39 + 503 15 -65.727000 56.752000 -7.744000 39 E M 2 "GLU " " O " 8 0 0 1 56.22 <> 503 39 + 504 3 -68.086000 57.650000 -5.870000 39 E M 2 "GLU " " CB " 6 0 0 1 56.09 <> 504 39 + 505 3 -68.383000 56.250000 -6.410000 39 E M 2 "GLU " " CG " 6 0 0 1 64.1 <> 505 39 + 506 2 -69.199000 55.398000 -5.450000 39 E M 2 "GLU " " CD " 6 0 0 1 153.38 <> 506 39 + 507 15 -68.873000 55.357000 -4.243000 39 E M 2 "GLU " " OE1" 8 0 0 1 62.85 <> 507 39 + 508 18 -70.174000 54.765000 -5.911000 39 E M 2 "GLU " " OE2" 8 -1 0 1 72.1 <> 508 39 + 509 43 -68.458000 58.628000 -8.226000 39 E M 2 "GLU " " H " 1 0 0 1 57.7 <> 509 39 + 510 41 -66.761000 59.318000 -6.040000 39 E M 2 "GLU " " HA " 1 0 0 1 56.58 <> 510 39 + 511 41 -69.013000 58.222000 -5.823000 39 E M 2 "GLU " " HB3" 1 0 0 1 56.09 <> 511 39 + 512 41 -67.783000 57.576000 -4.826000 39 E M 2 "GLU " " HB2" 1 0 0 1 56.09 <> 512 39 + 513 41 -67.445000 55.743000 -6.636000 39 E M 2 "GLU " " HG3" 1 0 0 1 64.1 <> 513 39 + 514 41 -68.912000 56.333000 -7.359000 39 E M 2 "GLU " " HG2" 1 0 0 1 64.1 <> 514 39 + 515 25 -64.718000 57.961000 -6.130000 40 A M 2 "ALA " " N " 7 0 2 1 52.18 <> 515 40 + 516 3 -63.403000 57.385000 -6.364000 40 A M 2 "ALA " " CA " 6 0 2 1 48.63 <> 516 40 + 517 2 -62.590000 57.240000 -5.088000 40 A M 2 "ALA " " C " 6 0 2 1 45.85 <> 517 40 + 518 15 -62.816000 57.944000 -4.101000 40 A M 2 "ALA " " O " 8 0 2 1 45.45 <> 518 40 + 519 3 -62.636000 58.229000 -7.377000 40 A M 2 "ALA " " CB " 6 0 2 1 48.28 <> 519 40 + 520 43 -64.829000 58.616000 -5.370000 40 A M 2 "ALA " " H " 1 0 2 1 52.18 <> 520 40 + 521 41 -63.542000 56.391000 -6.790000 40 A M 2 "ALA " " HA " 1 0 2 1 48.63 <> 521 40 + 522 41 -61.653000 57.790000 -7.546000 40 A M 2 "ALA " " HB1" 1 0 2 1 48.28 <> 522 40 + 523 41 -63.187000 58.258000 -8.317000 40 A M 2 "ALA " " HB2" 1 0 2 1 48.28 <> 523 40 + 524 41 -62.520000 59.242000 -6.993000 40 A M 2 "ALA " " HB3" 1 0 2 1 48.28 <> 524 40 + 525 25 -61.643000 56.312000 -5.131000 41 V M 2 "VAL " " N " 7 0 2 1 42.68 <> 525 41 + 526 3 -60.617000 56.198000 -4.115000 41 V M 2 "VAL " " CA " 6 0 2 1 40.24 <> 526 41 + 527 2 -59.400000 56.941000 -4.654000 41 V M 2 "VAL " " C " 6 0 2 1 40.01 <> 527 41 + 528 15 -59.009000 56.740000 -5.806000 41 V M 2 "VAL " " O " 8 0 2 1 40.84 <> 528 41 + 529 3 -60.265000 54.720000 -3.839000 41 V M 2 "VAL " " CB " 6 0 2 1 40.56 <> 529 41 + 530 3 -59.257000 54.603000 -2.700000 41 V M 2 "VAL " " CG1" 6 0 2 1 38.23 <> 530 41 + 531 3 -61.529000 53.922000 -3.527000 41 V M 2 "VAL " " CG2" 6 0 2 1 30.53 <> 531 41 + 532 43 -61.619000 55.650000 -5.893000 41 V M 2 "VAL " " H " 1 0 2 1 42.68 <> 532 41 + 533 41 -60.958000 56.672000 -3.195000 41 V M 2 "VAL " " HA " 1 0 2 1 40.24 <> 533 41 + 534 41 -59.812000 54.304000 -4.739000 41 V M 2 "VAL " " HB " 1 0 2 1 40.56 <> 534 41 + 535 41 -59.026000 53.552000 -2.525000 41 V M 2 "VAL " "HG11" 1 0 2 1 38.23 <> 535 41 + 536 41 -58.344000 55.136000 -2.966000 41 V M 2 "VAL " "HG12" 1 0 2 1 38.23 <> 536 41 + 537 41 -59.680000 55.037000 -1.794000 41 V M 2 "VAL " "HG13" 1 0 2 1 38.23 <> 537 41 + 538 41 -61.265000 52.882000 -3.335000 41 V M 2 "VAL " "HG21" 1 0 2 1 30.53 <> 538 41 + 539 41 -62.016000 54.341000 -2.647000 41 V M 2 "VAL " "HG22" 1 0 2 1 30.53 <> 539 41 + 540 41 -62.210000 53.972000 -4.377000 41 V M 2 "VAL " "HG23" 1 0 2 1 30.53 <> 540 41 + 541 25 -58.806000 57.795000 -3.827000 42 I M 2 "ILE " " N " 7 0 2 1 39 <> 541 42 + 542 3 -57.564000 58.469000 -4.194000 42 I M 2 "ILE " " CA " 6 0 2 1 36.8 <> 542 42 + 543 2 -56.451000 57.972000 -3.282000 42 I M 2 "ILE " " C " 6 0 2 1 36.62 <> 543 42 + 544 15 -56.453000 58.249000 -2.079000 42 I M 2 "ILE " " O " 8 0 2 1 36.47 <> 544 42 + 545 3 -57.678000 60.011000 -4.119000 42 I M 2 "ILE " " CB " 6 0 2 1 36.67 <> 545 42 + 546 3 -58.874000 60.507000 -4.939000 42 I M 2 "ILE " " CG1" 6 0 2 1 34.32 <> 546 42 + 547 3 -56.386000 60.666000 -4.605000 42 I M 2 "ILE " " CG2" 6 0 2 1 33.16 <> 547 42 + 548 3 -59.178000 61.988000 -4.766000 42 I M 2 "ILE " " CD1" 6 0 2 1 47.75 <> 548 42 + 549 43 -59.213000 57.989000 -2.923000 42 I M 2 "ILE " " H " 1 0 2 1 39 <> 549 42 + 550 41 -57.315000 58.194000 -5.219000 42 I M 2 "ILE " " HA " 1 0 2 1 36.8 <> 550 42 + 551 41 -57.835000 60.293000 -3.078000 42 I M 2 "ILE " " HB " 1 0 2 1 36.67 <> 551 42 + 552 41 -59.757000 59.924000 -4.678000 42 I M 2 "ILE " "HG13" 1 0 2 1 34.32 <> 552 42 + 553 41 -58.702000 60.294000 -5.994000 42 I M 2 "ILE " "HG12" 1 0 2 1 34.32 <> 553 42 + 554 41 -56.483000 61.750000 -4.546000 42 I M 2 "ILE " "HG21" 1 0 2 1 33.16 <> 554 42 + 555 41 -55.555000 60.341000 -3.978000 42 I M 2 "ILE " "HG22" 1 0 2 1 33.16 <> 555 42 + 556 41 -56.197000 60.375000 -5.638000 42 I M 2 "ILE " "HG23" 1 0 2 1 33.16 <> 556 42 + 557 41 -60.038000 62.257000 -5.380000 42 I M 2 "ILE " "HD11" 1 0 2 1 47.75 <> 557 42 + 558 41 -59.401000 62.194000 -3.719000 42 I M 2 "ILE " "HD12" 1 0 2 1 47.75 <> 558 42 + 559 41 -58.313000 62.575000 -5.075000 42 I M 2 "ILE " "HD13" 1 0 2 1 47.75 <> 559 42 + 560 25 -55.506000 57.236000 -3.865000 43 F M 2 "PHE " " N " 7 0 2 1 35.8 <> 560 43 + 561 3 -54.370000 56.704000 -3.123000 43 F M 2 "PHE " " CA " 6 0 2 1 34.24 <> 561 43 + 562 2 -53.248000 57.719000 -3.016000 43 F M 2 "PHE " " C " 6 0 2 1 34.9 <> 562 43 + 563 15 -52.858000 58.326000 -4.010000 43 F M 2 "PHE " " O " 8 0 2 1 35.27 <> 563 43 + 564 3 -53.837000 55.433000 -3.782000 43 F M 2 "PHE " " CB " 6 0 2 1 33.62 <> 564 43 + 565 2 -54.712000 54.233000 -3.582000 43 F M 2 "PHE " " CG " 6 0 2 1 31.4 <> 565 43 + 566 2 -55.522000 53.771000 -4.612000 43 F M 2 "PHE " " CD1" 6 0 2 1 34.58 <> 566 43 + 567 2 -54.727000 53.563000 -2.363000 43 F M 2 "PHE " " CD2" 6 0 2 1 32.86 <> 567 43 + 568 2 -56.338000 52.655000 -4.432000 43 F M 2 "PHE " " CE1" 6 0 2 1 19.2 <> 568 43 + 569 2 -55.538000 52.448000 -2.173000 43 F M 2 "PHE " " CE2" 6 0 2 1 41.92 <> 569 43 + 570 2 -56.345000 51.993000 -3.210000 43 F M 2 "PHE " " CZ " 6 0 2 1 43.25 <> 570 43 + 571 43 -55.563000 57.031000 -4.852000 43 F M 2 "PHE " " H " 1 0 2 1 35.8 <> 571 43 + 572 41 -54.704000 56.454000 -2.116000 43 F M 2 "PHE " " HA " 1 0 2 1 34.24 <> 572 43 + 573 41 -52.838000 55.220000 -3.401000 43 F M 2 "PHE " " HB3" 1 0 2 1 33.62 <> 573 43 + 574 41 -53.702000 55.608000 -4.849000 43 F M 2 "PHE " " HB2" 1 0 2 1 33.62 <> 574 43 + 575 41 -55.524000 54.278000 -5.566000 43 F M 2 "PHE " " HD1" 1 0 2 1 34.58 <> 575 43 + 576 41 -54.104000 53.907000 -1.550000 43 F M 2 "PHE " " HD2" 1 0 2 1 32.86 <> 576 43 + 577 41 -56.963000 52.307000 -5.241000 43 F M 2 "PHE " " HE1" 1 0 2 1 19.2 <> 577 43 + 578 41 -55.540000 51.938000 -1.221000 43 F M 2 "PHE " " HE2" 1 0 2 1 41.92 <> 578 43 + 579 41 -56.976000 51.128000 -3.068000 43 F M 2 "PHE " " HZ " 1 0 2 1 43.25 <> 579 43 + 580 25 -52.737000 57.896000 -1.800000 44 K M 2 "LYS " " N " 7 0 2 1 35.41 <> 580 44 + 581 3 -51.511000 58.647000 -1.576000 44 K M 2 "LYS " " CA " 6 0 2 1 36.13 <> 581 44 + 582 2 -50.348000 57.671000 -1.719000 44 K M 2 "LYS " " C " 6 0 2 1 36.43 <> 582 44 + 583 15 -50.202000 56.739000 -0.923000 44 K M 2 "LYS " " O " 8 0 2 1 36.37 <> 583 44 + 584 3 -51.517000 59.304000 -0.188000 44 K M 2 "LYS " " CB " 6 0 2 1 36.8 <> 584 44 + 585 3 -50.252000 60.093000 0.167000 44 K M 2 "LYS " " CG " 6 0 2 1 34.66 <> 585 44 + 586 3 -50.281000 61.511000 -0.381000 44 K M 2 "LYS " " CD " 6 0 2 1 59.73 <> 586 44 + 587 3 -49.018000 62.279000 -0.012000 44 K M 2 "LYS " " CE " 6 0 2 1 76.37 <> 587 44 + 588 32 -48.907000 62.543000 1.449000 44 K M 2 "LYS " " NZ " 7 1 2 1 53.22 <> 588 44 + 589 43 -53.203000 57.503000 -0.994000 44 K M 2 "LYS " " H " 1 0 2 1 35.41 <> 589 44 + 590 41 -51.423000 59.422000 -2.338000 44 K M 2 "LYS " " HA " 1 0 2 1 36.13 <> 590 44 + 591 41 -51.691000 58.541000 0.571000 44 K M 2 "LYS " " HB3" 1 0 2 1 36.8 <> 591 44 + 592 41 -52.385000 59.957000 -0.102000 44 K M 2 "LYS " " HB2" 1 0 2 1 36.8 <> 592 44 + 593 41 -49.378000 59.571000 -0.223000 44 K M 2 "LYS " " HG3" 1 0 2 1 34.66 <> 593 44 + 594 41 -50.137000 60.125000 1.250000 44 K M 2 "LYS " " HG2" 1 0 2 1 34.66 <> 594 44 + 595 41 -51.152000 62.034000 0.013000 44 K M 2 "LYS " " HD3" 1 0 2 1 59.73 <> 595 44 + 596 41 -50.382000 61.479000 -1.466000 44 K M 2 "LYS " " HD2" 1 0 2 1 59.73 <> 596 44 + 597 41 -48.998000 63.225000 -0.553000 44 K M 2 "LYS " " HE3" 1 0 2 1 76.37 <> 597 44 + 598 41 -48.144000 61.720000 -0.347000 44 K M 2 "LYS " " HE2" 1 0 2 1 76.37 <> 598 44 + 599 44 -49.201000 61.725000 1.963000 44 K M 2 "LYS " " HZ1" 1 0 2 1 53.22 <> 599 44 + 600 44 -47.948000 62.759000 1.681000 44 K M 2 "LYS " " HZ2" 1 0 2 1 53.22 <> 600 44 + 601 44 -49.497000 63.325000 1.696000 44 K M 2 "LYS " " HZ3" 1 0 2 1 53.22 <> 601 44 + 602 25 -49.529000 57.898000 -2.742000 45 T M 2 "THR " " N " 7 0 2 1 36.69 <> 602 45 + 603 3 -48.408000 57.019000 -3.074000 45 T M 2 "THR " " CA " 6 0 2 1 35.97 <> 603 45 + 604 2 -47.217000 57.225000 -2.138000 45 T M 2 "THR " " C " 6 0 2 1 36.29 <> 604 45 + 605 15 -47.082000 58.276000 -1.510000 45 T M 2 "THR " " O " 8 0 2 1 36.97 <> 605 45 + 606 3 -47.969000 57.229000 -4.543000 45 T M 2 "THR " " CB " 6 0 2 1 34.36 <> 606 45 + 607 16 -48.999000 56.758000 -5.419000 45 T M 2 "THR " " OG1" 8 0 2 1 38.55 <> 607 45 + 608 3 -46.704000 56.474000 -4.846000 45 T M 2 "THR " " CG2" 6 0 2 1 34.99 <> 608 45 + 609 43 -49.668000 58.707000 -3.330000 45 T M 2 "THR " " H " 1 0 2 1 36.69 <> 609 45 + 610 41 -48.746000 55.988000 -2.968000 45 T M 2 "THR " " HA " 1 0 2 1 35.97 <> 610 45 + 611 41 -47.804000 58.292000 -4.720000 45 T M 2 "THR " " HB " 1 0 2 1 34.36 <> 611 45 + 612 42 -49.809000 57.247000 -5.254000 45 T M 2 "THR " " HG1" 1 0 2 1 38.55 <> 612 45 + 613 41 -46.421000 56.641000 -5.885000 45 T M 2 "THR " "HG21" 1 0 2 1 34.99 <> 613 45 + 614 41 -45.906000 56.824000 -4.192000 45 T M 2 "THR " "HG22" 1 0 2 1 34.99 <> 614 45 + 615 41 -46.868000 55.409000 -4.681000 45 T M 2 "THR " "HG23" 1 0 2 1 34.99 <> 615 45 + 616 25 -46.361000 56.209000 -2.057000 46 I M 2 "ILE " " N " 7 0 0 1 36.96 <> 616 46 + 617 3 -45.097000 56.286000 -1.331000 46 I M 2 "ILE " " CA " 6 0 0 1 37.85 <> 617 46 + 618 2 -44.154000 57.352000 -1.931000 46 I M 2 "ILE " " C " 6 0 0 1 37.8 <> 618 46 + 619 15 -43.174000 57.754000 -1.301000 46 I M 2 "ILE " " O " 8 0 0 1 36.86 <> 619 46 + 620 3 -44.415000 54.877000 -1.258000 46 I M 2 "ILE " " CB " 6 0 0 1 38.43 <> 620 46 + 621 3 -43.647000 54.696000 0.056000 46 I M 2 "ILE " " CG1" 6 0 0 1 44.08 <> 621 46 + 622 3 -43.532000 54.599000 -2.483000 46 I M 2 "ILE " " CG2" 6 0 0 1 35.99 <> 622 46 + 623 3 -44.526000 54.348000 1.252000 46 I M 2 "ILE " " CD1" 6 0 0 1 141.89 <> 623 46 + 624 43 -46.573000 55.332000 -2.511000 46 I M 2 "ILE " " H " 1 0 0 1 36.96 <> 624 46 + 625 41 -45.326000 56.591000 -0.310000 46 I M 2 "ILE " " HA " 1 0 0 1 37.85 <> 625 46 + 626 41 -45.214000 54.135000 -1.265000 46 I M 2 "ILE " " HB " 1 0 0 1 38.43 <> 626 46 + 627 41 -43.084000 55.604000 0.273000 46 I M 2 "ILE " "HG13" 1 0 0 1 44.08 <> 627 46 + 628 41 -42.889000 53.923000 -0.072000 46 I M 2 "ILE " "HG12" 1 0 0 1 44.08 <> 628 46 + 629 41 -43.080000 53.612000 -2.389000 46 I M 2 "ILE " "HG21" 1 0 0 1 35.99 <> 629 46 + 630 41 -44.141000 54.635000 -3.386000 46 I M 2 "ILE " "HG22" 1 0 0 1 35.99 <> 630 46 + 631 41 -42.747000 55.353000 -2.545000 46 I M 2 "ILE " "HG23" 1 0 0 1 35.99 <> 631 46 + 632 41 -43.904000 54.237000 2.141000 46 I M 2 "ILE " "HD11" 1 0 0 1 141.89 <> 632 46 + 633 41 -45.252000 55.145000 1.414000 46 I M 2 "ILE " "HD12" 1 0 0 1 141.89 <> 633 46 + 634 41 -45.051000 53.413000 1.058000 46 I M 2 "ILE " "HD13" 1 0 0 1 141.89 <> 634 46 + 635 25 -44.469000 57.796000 -3.148000 47 V M 2 "VAL " " N " 7 0 0 1 38.66 <> 635 47 + 636 3 -43.694000 58.808000 -3.872000 47 V M 2 "VAL " " CA " 6 0 0 1 39.84 <> 636 47 + 637 2 -44.495000 60.117000 -4.013000 47 V M 2 "VAL " " C " 6 0 0 1 40.59 <> 637 47 + 638 15 -44.469000 60.776000 -5.058000 47 V M 2 "VAL " " O " 8 0 0 1 41.02 <> 638 47 + 639 3 -43.207000 58.271000 -5.261000 47 V M 2 "VAL " " CB " 6 0 0 1 39.55 <> 639 47 + 640 3 -42.337000 59.295000 -5.986000 47 V M 2 "VAL " " CG1" 6 0 0 1 46.2 <> 640 47 + 641 3 -42.423000 56.976000 -5.092000 47 V M 2 "VAL " " CG2" 6 0 0 1 39.68 <> 641 47 + 642 43 -45.283000 57.433000 -3.623000 47 V M 2 "VAL " " H " 1 0 0 1 38.66 <> 642 47 + 643 41 -42.808000 59.029000 -3.277000 47 V M 2 "VAL " " HA " 1 0 0 1 39.84 <> 643 47 + 644 41 -44.083000 58.066000 -5.877000 47 V M 2 "VAL " " HB " 1 0 0 1 39.55 <> 644 47 + 645 41 -42.018000 58.887000 -6.945000 47 V M 2 "VAL " "HG11" 1 0 0 1 46.2 <> 645 47 + 646 41 -42.910000 60.207000 -6.152000 47 V M 2 "VAL " "HG12" 1 0 0 1 46.2 <> 646 47 + 647 41 -41.461000 59.523000 -5.379000 47 V M 2 "VAL " "HG13" 1 0 0 1 46.2 <> 647 47 + 648 41 -42.094000 56.620000 -6.068000 47 V M 2 "VAL " "HG21" 1 0 0 1 39.68 <> 648 47 + 649 41 -41.554000 57.157000 -4.460000 47 V M 2 "VAL " "HG22" 1 0 0 1 39.68 <> 649 47 + 650 41 -43.060000 56.223000 -4.627000 47 V M 2 "VAL " "HG23" 1 0 0 1 39.68 <> 650 47 + 651 25 -45.205000 60.479000 -2.945000 48 A M 2 "ALA " " N " 7 0 0 1 41.53 <> 651 48 + 652 3 -45.919000 61.766000 -2.821000 48 A M 2 "ALA " " CA " 6 0 0 1 42.39 <> 652 48 + 653 2 -47.191000 61.960000 -3.668000 48 A M 2 "ALA " " C " 6 0 0 1 43.38 <> 653 48 + 654 15 -48.159000 62.552000 -3.185000 48 A M 2 "ALA " " O " 8 0 0 1 44.08 <> 654 48 + 655 3 -44.956000 62.951000 -3.013000 48 A M 2 "ALA " " CB " 6 0 0 1 42.38 <> 655 48 + 656 43 -45.279000 59.856000 -2.153000 48 A M 2 "ALA " " H " 1 0 0 1 41.53 <> 656 48 + 657 41 -46.247000 61.820000 -1.783000 48 A M 2 "ALA " " HA " 1 0 0 1 42.39 <> 657 48 + 658 41 -45.507000 63.887000 -2.917000 48 A M 2 "ALA " " HB1" 1 0 0 1 42.38 <> 658 48 + 659 41 -44.174000 62.911000 -2.255000 48 A M 2 "ALA " " HB2" 1 0 0 1 42.38 <> 659 48 + 660 41 -44.504000 62.896000 -4.003000 48 A M 2 "ALA " " HB3" 1 0 0 1 42.38 <> 660 48 + 661 25 -47.193000 61.474000 -4.910000 49 K M 2 "LYS " " N " 7 0 0 1 43.38 <> 661 49 + 662 3 -48.302000 61.738000 -5.849000 49 K M 2 "LYS " " CA " 6 0 0 1 43.04 <> 662 49 + 663 2 -49.576000 60.944000 -5.540000 49 K M 2 "LYS " " C " 6 0 0 1 42.47 <> 663 49 + 664 15 -49.533000 59.932000 -4.839000 49 K M 2 "LYS " " O " 8 0 0 1 42.44 <> 664 49 + 665 3 -47.862000 61.519000 -7.307000 49 K M 2 "LYS " " CB " 6 0 0 1 42.78 <> 665 49 + 666 3 -47.572000 60.067000 -7.687000 49 K M 2 "LYS " " CG " 6 0 0 1 41.42 <> 666 49 + 667 3 -46.875000 59.978000 -9.037000 49 K M 2 "LYS " " CD " 6 0 0 1 107.41 <> 667 49 + 668 3 -46.473000 58.548000 -9.358000 49 K M 2 "LYS " " CE " 6 0 0 1 97.8 <> 668 49 + 669 32 -45.579000 58.472000 -10.546000 49 K M 2 "LYS " " NZ " 7 1 0 1 32.32 <> 669 49 + 670 43 -46.421000 60.908000 -5.232000 49 K M 2 "LYS " " H " 1 0 0 1 43.38 <> 670 49 + 671 41 -48.555000 62.794000 -5.750000 49 K M 2 "LYS " " HA " 1 0 0 1 43.04 <> 671 49 + 672 41 -46.982000 62.128000 -7.513000 49 K M 2 "LYS " " HB3" 1 0 0 1 42.78 <> 672 49 + 673 41 -48.621000 61.922000 -7.977000 49 K M 2 "LYS " " HB2" 1 0 0 1 42.78 <> 673 49 + 674 41 -48.507000 59.508000 -7.724000 49 K M 2 "LYS " " HG3" 1 0 0 1 41.42 <> 674 49 + 675 41 -46.943000 59.611000 -6.923000 49 K M 2 "LYS " " HG2" 1 0 0 1 41.42 <> 675 49 + 676 41 -45.988000 60.611000 -9.030000 49 K M 2 "LYS " " HD3" 1 0 0 1 107.41 <> 676 49 + 677 41 -47.542000 60.351000 -9.815000 49 K M 2 "LYS " " HD2" 1 0 0 1 107.41 <> 677 49 + 678 41 -47.367000 57.952000 -9.539000 49 K M 2 "LYS " " HE3" 1 0 0 1 97.8 <> 678 49 + 679 41 -45.969000 58.111000 -8.496000 49 K M 2 "LYS " " HE2" 1 0 0 1 97.8 <> 679 49 + 680 44 -44.787000 59.084000 -10.411000 49 K M 2 "LYS " " HZ1" 1 0 0 1 32.32 <> 680 49 + 681 44 -45.254000 57.523000 -10.664000 49 K M 2 "LYS " " HZ2" 1 0 0 1 32.32 <> 681 49 + 682 44 -46.088000 58.758000 -11.370000 49 K M 2 "LYS " " HZ3" 1 0 0 1 32.32 <> 682 49 + 683 25 -50.703000 61.415000 -6.069000 50 E M 2 "GLU " " N " 7 0 2 1 40.91 <> 683 50 + 684 3 -51.994000 60.764000 -5.855000 50 E M 2 "GLU " " CA " 6 0 2 1 40.14 <> 684 50 + 685 2 -52.590000 60.145000 -7.122000 50 E M 2 "GLU " " C " 6 0 2 1 39.27 <> 685 50 + 686 15 -52.594000 60.761000 -8.190000 50 E M 2 "GLU " " O " 8 0 2 1 39.08 <> 686 50 + 687 3 -52.990000 61.742000 -5.235000 50 E M 2 "GLU " " CB " 6 0 2 1 39.9 <> 687 50 + 688 3 -52.864000 61.889000 -3.731000 50 E M 2 "GLU " " CG " 6 0 2 1 40.76 <> 688 50 + 689 2 -53.732000 63.003000 -3.184000 50 E M 2 "GLU " " CD " 6 0 2 1 44.34 <> 689 50 + 690 15 -53.705000 64.118000 -3.751000 50 E M 2 "GLU " " OE1" 8 0 2 1 54.46 <> 690 50 + 691 18 -54.444000 62.764000 -2.185000 50 E M 2 "GLU " " OE2" 8 -1 2 1 40.01 <> 691 50 + 692 43 -50.683000 62.248000 -6.639000 50 E M 2 "GLU " " H " 1 0 2 1 40.91 <> 692 50 + 693 41 -51.839000 59.957000 -5.139000 50 E M 2 "GLU " " HA " 1 0 2 1 40.14 <> 693 50 + 694 41 -54.005000 61.431000 -5.484000 50 E M 2 "GLU " " HB3" 1 0 2 1 39.9 <> 694 50 + 695 41 -52.876000 62.719000 -5.704000 50 E M 2 "GLU " " HB2" 1 0 2 1 39.9 <> 695 50 + 696 41 -51.823000 62.080000 -3.472000 50 E M 2 "GLU " " HG3" 1 0 2 1 40.76 <> 696 50 + 697 41 -53.136000 60.949000 -3.251000 50 E M 2 "GLU " " HG2" 1 0 2 1 40.76 <> 697 50 + 698 25 -53.092000 58.922000 -6.983000 51 I M 2 "ILE " " N " 7 0 2 1 37.73 <> 698 51 + 699 3 -53.687000 58.191000 -8.093000 51 I M 2 "ILE " " CA " 6 0 2 1 37.49 <> 699 51 + 700 2 -55.183000 57.988000 -7.855000 51 I M 2 "ILE " " C " 6 0 2 1 38.33 <> 700 51 + 701 15 -55.598000 57.603000 -6.756000 51 I M 2 "ILE " " O " 8 0 2 1 38.66 <> 701 51 + 702 3 -52.997000 56.804000 -8.296000 51 I M 2 "ILE " " CB " 6 0 2 1 37.3 <> 702 51 + 703 3 -51.482000 56.950000 -8.518000 51 I M 2 "ILE " " CG1" 6 0 2 1 32.42 <> 703 51 + 704 3 -53.638000 56.034000 -9.441000 51 I M 2 "ILE " " CG2" 6 0 2 1 36.9 <> 704 51 + 705 3 -51.076000 57.669000 -9.816000 51 I M 2 "ILE " " CD1" 6 0 2 1 21.7 <> 705 51 + 706 43 -53.069000 58.466000 -6.082000 51 I M 2 "ILE " " H " 1 0 2 1 37.73 <> 706 51 + 707 41 -53.558000 58.778000 -9.002000 51 I M 2 "ILE " " HA " 1 0 2 1 37.49 <> 707 51 + 708 41 -53.144000 56.225000 -7.384000 51 I M 2 "ILE " " HB " 1 0 2 1 37.3 <> 708 51 + 709 41 -51.017000 55.964000 -8.491000 51 I M 2 "ILE " "HG13" 1 0 2 1 32.42 <> 709 51 + 710 41 -51.041000 57.468000 -7.666000 51 I M 2 "ILE " "HG12" 1 0 2 1 32.42 <> 710 51 + 711 41 -53.137000 55.073000 -9.559000 51 I M 2 "ILE " "HG21" 1 0 2 1 36.9 <> 711 51 + 712 41 -54.693000 55.869000 -9.223000 51 I M 2 "ILE " "HG22" 1 0 2 1 36.9 <> 712 51 + 713 41 -53.544000 56.608000 -10.363000 51 I M 2 "ILE " "HG23" 1 0 2 1 36.9 <> 713 51 + 714 41 -49.989000 57.721000 -9.879000 51 I M 2 "ILE " "HD11" 1 0 2 1 21.7 <> 714 51 + 715 41 -51.463000 57.118000 -10.673000 51 I M 2 "ILE " "HD12" 1 0 2 1 21.7 <> 715 51 + 716 41 -51.488000 58.678000 -9.817000 51 I M 2 "ILE " "HD13" 1 0 2 1 21.7 <> 716 51 + 717 25 -55.983000 58.247000 -8.888000 52 C M 2 "CYS " " N " 7 0 2 1 38 <> 717 52 + 718 3 -57.411000 57.932000 -8.864000 52 C M 2 "CYS " " CA " 6 0 2 1 37.8 <> 718 52 + 719 2 -57.636000 56.454000 -9.170000 52 C M 2 "CYS " " C " 6 0 2 1 36.89 <> 719 52 + 720 15 -57.080000 55.922000 -10.129000 52 C M 2 "CYS " " O " 8 0 2 1 35.7 <> 720 52 + 721 3 -58.170000 58.798000 -9.870000 52 C M 2 "CYS " " CB " 6 0 2 1 37.19 <> 721 52 + 722 49 -58.173000 60.553000 -9.472000 52 C M 2 "CYS " " SG " 16 0 2 1 45.51 <> 722 52 + 723 43 -55.608000 58.674000 -9.723000 52 C M 2 "CYS " " H " 1 0 2 1 38 <> 723 52 + 724 41 -57.796000 58.142000 -7.866000 52 C M 2 "CYS " " HA " 1 0 2 1 37.8 <> 724 52 + 725 41 -59.198000 58.444000 -9.949000 52 C M 2 "CYS " " HB3" 1 0 2 1 37.19 <> 725 52 + 726 41 -57.746000 58.654000 -10.864000 52 C M 2 "CYS " " HB2" 1 0 2 1 37.19 <> 726 52 + 727 25 -58.452000 55.797000 -8.352000 53 A M 2 "ALA " " N " 7 0 2 1 37.59 <> 727 53 + 728 3 -58.741000 54.374000 -8.532000 53 A M 2 "ALA " " CA " 6 0 2 1 39.26 <> 728 53 + 729 2 -60.238000 54.081000 -8.464000 53 A M 2 "ALA " " C " 6 0 2 1 40.52 <> 729 53 + 730 15 -60.982000 54.780000 -7.777000 53 A M 2 "ALA " " O " 8 0 2 1 40.26 <> 730 53 + 731 3 -57.981000 53.540000 -7.512000 53 A M 2 "ALA " " CB " 6 0 2 1 38.1 <> 731 53 + 732 43 -58.891000 56.280000 -7.581000 53 A M 2 "ALA " " H " 1 0 2 1 37.59 <> 732 53 + 733 41 -58.391000 54.087000 -9.523000 53 A M 2 "ALA " " HA " 1 0 2 1 39.26 <> 733 53 + 734 41 -58.209000 52.485000 -7.662000 53 A M 2 "ALA " " HB1" 1 0 2 1 38.1 <> 734 53 + 735 41 -56.910000 53.701000 -7.636000 53 A M 2 "ALA " " HB2" 1 0 2 1 38.1 <> 735 53 + 736 41 -58.278000 53.836000 -6.506000 53 A M 2 "ALA " " HB3" 1 0 2 1 38.1 <> 736 53 + 737 25 -60.659000 53.042000 -9.184000 54 D M 2 "ASP " " N " 7 0 0 1 42.42 <> 737 54 + 738 3 -62.060000 52.638000 -9.262000 54 D M 2 "ASP " " CA " 6 0 0 1 44.93 <> 738 54 + 739 2 -62.479000 51.842000 -8.023000 54 D M 2 "ASP " " C " 6 0 0 1 46.84 <> 739 54 + 740 15 -61.970000 50.742000 -7.798000 54 D M 2 "ASP " " O " 8 0 0 1 46.5 <> 740 54 + 741 3 -62.294000 51.801000 -10.525000 54 D M 2 "ASP " " CB " 6 0 0 1 45.53 <> 741 54 + 742 2 -63.769000 51.643000 -10.873000 54 D M 2 "ASP " " CG " 6 0 0 1 46.84 <> 742 54 + 743 15 -64.612000 51.557000 -9.955000 54 D M 2 "ASP " " OD1" 8 0 0 1 67.14 <> 743 54 + 744 18 -64.086000 51.606000 -12.079000 54 D M 2 "ASP " " OD2" 8 -1 0 1 53 <> 744 54 + 745 43 -59.996000 52.491000 -9.711000 54 D M 2 "ASP " " H " 1 0 0 1 42.42 <> 745 54 + 746 41 -62.676000 53.535000 -9.322000 54 D M 2 "ASP " " HA " 1 0 0 1 44.93 <> 746 54 + 747 41 -61.845000 50.816000 -10.395000 54 D M 2 "ASP " " HB3" 1 0 0 1 45.53 <> 747 54 + 748 41 -61.771000 52.259000 -11.365000 54 D M 2 "ASP " " HB2" 1 0 0 1 45.53 <> 748 54 + 749 25 -63.409000 52.394000 -7.214000 55 P M 2 "PRO " " N " 7 0 0 1 48.33 <> 749 55 + 750 3 -63.866000 51.675000 -6.020000 55 P M 2 "PRO " " CA " 6 0 0 1 49.51 <> 750 55 + 751 2 -64.584000 50.358000 -6.335000 55 P M 2 "PRO " " C " 6 0 0 1 50.93 <> 751 55 + 752 15 -64.638000 49.476000 -5.482000 55 P M 2 "PRO " " O " 8 0 0 1 51.27 <> 752 55 + 753 3 -64.818000 52.669000 -5.343000 55 P M 2 "PRO " " CB " 6 0 0 1 48.9 <> 753 55 + 754 3 -65.219000 53.621000 -6.408000 55 P M 2 "PRO " " CG " 6 0 0 1 48.47 <> 754 55 + 755 3 -64.075000 53.703000 -7.361000 55 P M 2 "PRO " " CD " 6 0 0 1 47.92 <> 755 55 + 756 41 -63.017000 51.480000 -5.365000 55 P M 2 "PRO " " HA " 1 0 0 1 49.51 <> 756 55 + 757 41 -64.283000 53.206000 -4.560000 55 P M 2 "PRO " " HB3" 1 0 0 1 48.9 <> 757 55 + 758 41 -65.699000 52.138000 -4.982000 55 P M 2 "PRO " " HB2" 1 0 0 1 48.9 <> 758 55 + 759 41 -65.396000 54.603000 -5.969000 55 P M 2 "PRO " " HG3" 1 0 0 1 48.47 <> 759 55 + 760 41 -66.096000 53.235000 -6.927000 55 P M 2 "PRO " " HG2" 1 0 0 1 48.47 <> 760 55 + 761 41 -64.459000 53.800000 -8.377000 55 P M 2 "PRO " " HD2" 1 0 0 1 47.92 <> 761 55 + 762 41 -63.394000 54.491000 -7.040000 55 P M 2 "PRO " " HD3" 1 0 0 1 47.92 <> 762 55 + 763 25 -65.123000 50.233000 -7.546000 56 K M 2 "LYS " " N " 7 0 0 1 51.77 <> 763 56 + 764 3 -65.791000 49.002000 -7.975000 56 K M 2 "LYS " " CA " 6 0 0 1 52.88 <> 764 56 + 765 2 -64.784000 47.902000 -8.341000 56 K M 2 "LYS " " C " 6 0 0 1 54 <> 765 56 + 766 15 -65.141000 46.722000 -8.403000 56 K M 2 "LYS " " O " 8 0 0 1 54.56 <> 766 56 + 767 3 -66.733000 49.279000 -9.154000 56 K M 2 "LYS " " CB " 6 0 0 1 52.59 <> 767 56 + 768 3 -67.752000 50.400000 -8.908000 56 K M 2 "LYS " " CG " 6 0 0 1 55.6 <> 768 56 + 769 3 -68.685000 50.614000 -10.104000 56 K M 2 "LYS " " CD " 6 0 0 1 72.65 <> 769 56 + 770 3 -67.975000 51.241000 -11.306000 56 K M 2 "LYS " " CE " 6 0 0 1 83.06 <> 770 56 + 771 32 -67.534000 52.641000 -11.045000 56 K M 2 "LYS " " NZ " 7 1 0 1 114.57 <> 771 56 + 772 43 -65.078000 51.001000 -8.200000 56 K M 2 "LYS " " H " 1 0 0 1 51.77 <> 772 56 + 773 41 -66.394000 48.640000 -7.142000 56 K M 2 "LYS " " HA " 1 0 0 1 52.88 <> 773 56 + 774 41 -67.261000 48.362000 -9.417000 56 K M 2 "LYS " " HB3" 1 0 0 1 52.59 <> 774 56 + 775 41 -66.143000 49.515000 -10.040000 56 K M 2 "LYS " " HB2" 1 0 0 1 52.59 <> 775 56 + 776 41 -67.224000 51.328000 -8.690000 56 K M 2 "LYS " " HG3" 1 0 0 1 55.6 <> 776 56 + 777 41 -68.344000 50.164000 -8.024000 56 K M 2 "LYS " " HG2" 1 0 0 1 55.6 <> 777 56 + 778 41 -69.519000 51.249000 -9.804000 56 K M 2 "LYS " " HD3" 1 0 0 1 72.65 <> 778 56 + 779 41 -69.121000 49.659000 -10.398000 56 K M 2 "LYS " " HD2" 1 0 0 1 72.65 <> 779 56 + 780 41 -68.641000 51.226000 -12.169000 56 K M 2 "LYS " " HE3" 1 0 0 1 83.06 <> 780 56 + 781 41 -67.111000 50.633000 -11.574000 56 K M 2 "LYS " " HE2" 1 0 0 1 83.06 <> 781 56 + 782 44 -66.792000 52.639000 -10.360000 56 K M 2 "LYS " " HZ1" 1 0 0 1 114.57 <> 782 56 + 783 44 -67.198000 53.054000 -11.903000 56 K M 2 "LYS " " HZ2" 1 0 0 1 114.57 <> 783 56 + 784 44 -68.313000 53.180000 -10.695000 56 K M 2 "LYS " " HZ3" 1 0 0 1 114.57 <> 784 56 + 785 25 -63.535000 48.300000 -8.581000 57 Q M 2 "GLN " " N " 7 0 0 1 53.86 <> 785 57 + 786 3 -62.463000 47.385000 -8.978000 57 Q M 2 "GLN " " CA " 6 0 0 1 52.94 <> 786 57 + 787 2 -61.900000 46.639000 -7.766000 57 Q M 2 "GLN " " C " 6 0 0 1 52.94 <> 787 57 + 788 15 -61.734000 47.219000 -6.693000 57 Q M 2 "GLN " " O " 8 0 0 1 53.16 <> 788 57 + 789 3 -61.359000 48.160000 -9.700000 57 Q M 2 "GLN " " CB " 6 0 0 1 52.85 <> 789 57 + 790 3 -60.729000 47.437000 -10.884000 57 Q M 2 "GLN " " CG " 6 0 0 1 52.07 <> 790 57 + 791 2 -60.000000 48.388000 -11.824000 57 Q M 2 "GLN " " CD " 6 0 0 1 134.91 <> 791 57 + 792 15 -58.789000 48.272000 -12.028000 57 Q M 2 "GLN " " OE1" 8 0 0 1 61.45 <> 792 57 + 793 25 -60.736000 49.335000 -12.402000 57 Q M 2 "GLN " " NE2" 7 0 0 1 44.12 <> 793 57 + 794 43 -63.290000 49.276000 -8.492000 57 Q M 2 "GLN " " H " 1 0 0 1 53.86 <> 794 57 + 795 41 -62.877000 46.652000 -9.670000 57 Q M 2 "GLN " " HA " 1 0 0 1 52.94 <> 795 57 + 796 41 -60.581000 48.428000 -8.986000 57 Q M 2 "GLN " " HB3" 1 0 0 1 52.85 <> 796 57 + 797 41 -61.751000 49.121000 -10.032000 57 Q M 2 "GLN " " HB2" 1 0 0 1 52.85 <> 797 57 + 798 41 -61.503000 46.904000 -11.436000 57 Q M 2 "GLN " " HG3" 1 0 0 1 52.07 <> 798 57 + 799 41 -60.032000 46.683000 -10.519000 57 Q M 2 "GLN " " HG2" 1 0 0 1 52.07 <> 799 57 + 800 43 -60.305000 49.994000 -13.035000 57 Q M 2 "GLN " "HE22" 1 0 0 1 44.12 <> 800 57 + 801 43 -61.725000 49.395000 -12.208000 57 Q M 2 "GLN " "HE21" 1 0 0 1 44.12 <> 801 57 + 802 25 -61.611000 45.352000 -7.955000 58 K M 2 "LYS " " N " 7 0 1 1 53.27 <> 802 58 + 803 3 -61.295000 44.424000 -6.860000 58 K M 2 "LYS " " CA " 6 0 1 1 53.55 <> 803 58 + 804 2 -60.015000 44.739000 -6.070000 58 K M 2 "LYS " " C " 6 0 1 1 52.54 <> 804 58 + 805 15 -60.047000 44.791000 -4.839000 58 K M 2 "LYS " " O " 8 0 1 1 51.82 <> 805 58 + 806 3 -61.260000 42.984000 -7.394000 58 K M 2 "LYS " " CB " 6 0 1 1 54.35 <> 806 58 + 807 3 -61.567000 41.899000 -6.361000 58 K M 2 "LYS " " CG " 6 0 1 1 59.6 <> 807 58 + 808 3 -60.301000 41.272000 -5.790000 58 K M 2 "LYS " " CD " 6 0 1 1 61.6 <> 808 58 + 809 3 -60.635000 40.069000 -4.917000 58 K M 2 "LYS " " CE " 6 0 1 1 141.65 <> 809 58 + 810 32 -59.452000 39.585000 -4.147000 58 K M 2 "LYS " " NZ " 7 1 1 1 56.57 <> 810 58 + 811 43 -61.602000 44.968000 -8.889000 58 K M 2 "LYS " " H " 1 0 1 1 53.27 <> 811 58 + 812 41 -62.123000 44.478000 -6.153000 58 K M 2 "LYS " " HA " 1 0 1 1 53.55 <> 812 58 + 813 41 -60.286000 42.789000 -7.842000 58 K M 2 "LYS " " HB3" 1 0 1 1 54.35 <> 813 58 + 814 41 -61.954000 42.893000 -8.230000 58 K M 2 "LYS " " HB2" 1 0 1 1 54.35 <> 814 58 + 815 41 -62.180000 41.124000 -6.821000 58 K M 2 "LYS " " HG3" 1 0 1 1 59.6 <> 815 58 + 816 41 -62.157000 42.327000 -5.550000 58 K M 2 "LYS " " HG2" 1 0 1 1 59.6 <> 816 58 + 817 41 -59.765000 42.013000 -5.197000 58 K M 2 "LYS " " HD3" 1 0 1 1 61.6 <> 817 58 + 818 41 -59.651000 40.958000 -6.607000 58 K M 2 "LYS " " HD2" 1 0 1 1 61.6 <> 818 58 + 819 41 -61.015000 39.262000 -5.543000 58 K M 2 "LYS " " HE3" 1 0 1 1 141.65 <> 819 58 + 820 41 -61.434000 40.334000 -4.225000 58 K M 2 "LYS " " HE2" 1 0 1 1 141.65 <> 820 58 + 821 44 -59.115000 40.324000 -3.547000 58 K M 2 "LYS " " HZ1" 1 0 1 1 56.57 <> 821 58 + 822 44 -59.718000 38.790000 -3.584000 58 K M 2 "LYS " " HZ2" 1 0 1 1 56.57 <> 822 58 + 823 44 -58.721000 39.313000 -4.788000 58 K M 2 "LYS " " HZ3" 1 0 1 1 56.57 <> 823 58 + 824 25 -58.903000 44.945000 -6.776000 59 W M 2 "TRP " " N " 7 0 1 1 51.79 <> 824 59 + 825 3 -57.605000 45.229000 -6.146000 59 W M 2 "TRP " " CA " 6 0 1 1 50.11 <> 825 59 + 826 2 -57.625000 46.511000 -5.304000 59 W M 2 "TRP " " C " 6 0 1 1 49.23 <> 826 59 + 827 15 -56.828000 46.662000 -4.374000 59 W M 2 "TRP " " O " 8 0 1 1 48.5 <> 827 59 + 828 3 -56.503000 45.321000 -7.206000 59 W M 2 "TRP " " CB " 6 0 1 1 50.25 <> 828 59 + 829 2 -56.633000 46.532000 -8.087000 59 W M 2 "TRP " " CG " 6 0 1 1 51.79 <> 829 59 + 830 2 -57.409000 46.654000 -9.204000 59 W M 2 "TRP " " CD1" 6 0 1 1 35.04 <> 830 59 + 831 2 -55.967000 47.791000 -7.922000 59 W M 2 "TRP " " CD2" 6 0 1 1 16.7 <> 831 59 + 832 25 -57.269000 47.909000 -9.745000 59 W M 2 "TRP " " NE1" 7 0 1 1 43.65 <> 832 59 + 833 2 -56.390000 48.627000 -8.979000 59 W M 2 "TRP " " CE2" 6 0 1 1 23.54 <> 833 59 + 834 2 -55.055000 48.293000 -6.984000 59 W M 2 "TRP " " CE3" 6 0 1 1 28.56 <> 834 59 + 835 2 -55.931000 49.939000 -9.125000 59 W M 2 "TRP " " CZ2" 6 0 1 1 28.07 <> 835 59 + 836 2 -54.599000 49.598000 -7.130000 59 W M 2 "TRP " " CZ3" 6 0 1 1 43.94 <> 836 59 + 837 2 -55.039000 50.405000 -8.193000 59 W M 2 "TRP " " CH2" 6 0 1 1 27.64 <> 837 59 + 838 43 -58.931000 44.909000 -7.785000 59 W M 2 "TRP " " H " 1 0 1 1 51.79 <> 838 59 + 839 41 -57.365000 44.397000 -5.484000 59 W M 2 "TRP " " HA " 1 0 1 1 50.11 <> 839 59 + 840 41 -56.517000 44.422000 -7.822000 59 W M 2 "TRP " " HB3" 1 0 1 1 50.25 <> 840 59 + 841 41 -55.529000 45.333000 -6.716000 59 W M 2 "TRP " " HB2" 1 0 1 1 50.25 <> 841 59 + 842 41 -58.013000 45.822000 -9.535000 59 W M 2 "TRP " " HD1" 1 0 1 1 35.04 <> 842 59 + 843 43 -57.781000 48.159000 -10.579000 59 W M 2 "TRP " " HE1" 1 0 1 1 43.65 <> 843 59 + 844 41 -54.721000 47.669000 -6.168000 59 W M 2 "TRP " " HE3" 1 0 1 1 28.56 <> 844 59 + 845 41 -56.279000 50.545000 -9.949000 59 W M 2 "TRP " " HZ2" 1 0 1 1 28.07 <> 845 59 + 846 41 -53.895000 50.007000 -6.420000 59 W M 2 "TRP " " HZ3" 1 0 1 1 43.94 <> 846 59 + 847 41 -54.659000 51.413000 -8.266000 59 W M 2 "TRP " " HH2" 1 0 1 1 27.64 <> 847 59 + 848 25 -58.538000 47.422000 -5.643000 60 V M 2 "VAL " " N " 7 0 1 1 48.1 <> 848 60 + 849 3 -58.728000 48.664000 -4.900000 60 V M 2 "VAL " " CA " 6 0 1 1 46.58 <> 849 60 + 850 2 -59.324000 48.379000 -3.523000 60 V M 2 "VAL " " C " 6 0 1 1 47.68 <> 850 60 + 851 15 -58.876000 48.952000 -2.529000 60 V M 2 "VAL " " O " 8 0 1 1 48.19 <> 851 60 + 852 3 -59.618000 49.663000 -5.674000 60 V M 2 "VAL " " CB " 6 0 1 1 46.18 <> 852 60 + 853 3 -59.779000 50.961000 -4.899000 60 V M 2 "VAL " " CG1" 6 0 1 1 40.12 <> 853 60 + 854 3 -59.029000 49.940000 -7.045000 60 V M 2 "VAL " " CG2" 6 0 1 1 43.67 <> 854 60 + 855 43 -59.134000 47.266000 -6.444000 60 V M 2 "VAL " " H " 1 0 1 1 48.1 <> 855 60 + 856 41 -57.750000 49.124000 -4.756000 60 V M 2 "VAL " " HA " 1 0 1 1 46.58 <> 856 60 + 857 41 -60.603000 49.216000 -5.806000 60 V M 2 "VAL " " HB " 1 0 1 1 46.18 <> 857 60 + 858 41 -60.409000 51.647000 -5.465000 60 V M 2 "VAL " "HG11" 1 0 1 1 40.12 <> 858 60 + 859 41 -60.243000 50.754000 -3.935000 60 V M 2 "VAL " "HG12" 1 0 1 1 40.12 <> 859 60 + 860 41 -58.800000 51.414000 -4.741000 60 V M 2 "VAL " "HG13" 1 0 1 1 40.12 <> 860 60 + 861 41 -59.666000 50.645000 -7.579000 60 V M 2 "VAL " "HG21" 1 0 1 1 43.67 <> 861 60 + 862 41 -58.031000 50.365000 -6.933000 60 V M 2 "VAL " "HG22" 1 0 1 1 43.67 <> 862 60 + 863 41 -58.966000 49.009000 -7.609000 60 V M 2 "VAL " "HG23" 1 0 1 1 43.67 <> 863 60 + 864 25 -60.327000 47.499000 -3.474000 61 Q M 2 "GLN " " N " 7 0 1 1 48.22 <> 864 61 + 865 3 -60.944000 47.083000 -2.209000 61 Q M 2 "GLN " " CA " 6 0 1 1 49.07 <> 865 61 + 866 2 -59.894000 46.490000 -1.276000 61 Q M 2 "GLN " " C " 6 0 1 1 50.09 <> 866 61 + 867 15 -59.777000 46.905000 -0.123000 61 Q M 2 "GLN " " O " 8 0 1 1 50.11 <> 867 61 + 868 3 -62.060000 46.049000 -2.423000 61 Q M 2 "GLN " " CB " 6 0 1 1 48.54 <> 868 61 + 869 3 -62.801000 46.122000 -3.755000 61 Q M 2 "GLN " " CG " 6 0 1 1 53.14 <> 869 61 + 870 2 -63.939000 47.126000 -3.775000 61 Q M 2 "GLN " " CD " 6 0 1 1 144.84 <> 870 61 + 871 15 -63.991000 48.059000 -2.970000 61 Q M 2 "GLN " " OE1" 8 0 1 1 35.27 <> 871 61 + 872 25 -64.866000 46.936000 -4.709000 61 Q M 2 "GLN " " NE2" 7 0 1 1 53.04 <> 872 61 + 873 43 -60.687000 47.095000 -4.327000 61 Q M 2 "GLN " " H " 1 0 1 1 48.22 <> 873 61 + 874 41 -61.375000 47.962000 -1.730000 61 Q M 2 "GLN " " HA " 1 0 1 1 49.07 <> 874 61 + 875 41 -62.779000 46.123000 -1.607000 61 Q M 2 "GLN " " HB3" 1 0 1 1 48.54 <> 875 61 + 876 41 -61.651000 45.047000 -2.294000 61 Q M 2 "GLN " " HB2" 1 0 1 1 48.54 <> 876 61 + 877 41 -63.186000 45.134000 -4.009000 61 Q M 2 "GLN " " HG3" 1 0 1 1 53.14 <> 877 61 + 878 41 -62.094000 46.361000 -4.549000 61 Q M 2 "GLN " " HG2" 1 0 1 1 53.14 <> 878 61 + 879 43 -65.651000 47.568000 -4.778000 61 Q M 2 "GLN " "HE22" 1 0 1 1 53.04 <> 879 61 + 880 43 -64.785000 46.160000 -5.350000 61 Q M 2 "GLN " "HE21" 1 0 1 1 53.04 <> 880 61 + 881 25 -59.137000 45.521000 -1.792000 62 D M 2 "ASP " " N " 7 0 1 1 51.8 <> 881 62 + 882 3 -58.131000 44.794000 -1.010000 62 D M 2 "ASP " " CA " 6 0 1 1 54.28 <> 882 62 + 883 2 -56.962000 45.667000 -0.569000 62 D M 2 "ASP " " C " 6 0 1 1 54.55 <> 883 62 + 884 15 -56.375000 45.433000 0.488000 62 D M 2 "ASP " " O " 8 0 1 1 55.23 <> 884 62 + 885 3 -57.609000 43.582000 -1.787000 62 D M 2 "ASP " " CB " 6 0 1 1 55.11 <> 885 62 + 886 2 -58.649000 42.489000 -1.934000 62 D M 2 "ASP " " CG " 6 0 1 1 57.82 <> 886 62 + 887 15 -59.059000 41.899000 -0.910000 62 D M 2 "ASP " " OD1" 8 0 1 1 101.64 <> 887 62 + 888 18 -59.058000 42.219000 -3.079000 62 D M 2 "ASP " " OD2" 8 -1 1 1 117.24 <> 888 62 + 889 43 -59.244000 45.259000 -2.762000 62 D M 2 "ASP " " H " 1 0 1 1 51.8 <> 889 62 + 890 41 -58.621000 44.421000 -0.110000 62 D M 2 "ASP " " HA " 1 0 1 1 54.28 <> 890 62 + 891 41 -56.730000 43.180000 -1.283000 62 D M 2 "ASP " " HB3" 1 0 1 1 55.11 <> 891 62 + 892 41 -57.276000 43.901000 -2.775000 62 D M 2 "ASP " " HB2" 1 0 1 1 55.11 <> 892 62 + 893 25 -56.631000 46.668000 -1.382000 63 S M 2 "SER " " N " 7 0 1 1 54.27 <> 893 63 + 894 3 -55.616000 47.647000 -1.011000 63 S M 2 "SER " " CA " 6 0 1 1 53.67 <> 894 63 + 895 2 -56.128000 48.516000 0.129000 63 S M 2 "SER " " C " 6 0 1 1 53.02 <> 895 63 + 896 15 -55.394000 48.791000 1.078000 63 S M 2 "SER " " O " 8 0 1 1 52.91 <> 896 63 + 897 3 -55.218000 48.508000 -2.212000 63 S M 2 "SER " " CB " 6 0 1 1 53.92 <> 897 63 + 898 16 -54.591000 47.724000 -3.214000 63 S M 2 "SER " " OG " 8 0 1 1 51.44 <> 898 63 + 899 43 -57.086000 46.762000 -2.279000 63 S M 2 "SER " " H " 1 0 1 1 54.27 <> 899 63 + 900 41 -54.732000 47.111000 -0.664000 63 S M 2 "SER " " HA " 1 0 1 1 53.67 <> 900 63 + 901 41 -54.536000 49.293000 -1.886000 63 S M 2 "SER " " HB3" 1 0 1 1 53.92 <> 901 63 + 902 41 -56.106000 48.985000 -2.627000 63 S M 2 "SER " " HB2" 1 0 1 1 53.92 <> 902 63 + 903 42 -55.260000 47.269000 -3.730000 63 S M 2 "SER " " HG " 1 0 1 1 51.44 <> 903 63 + 904 25 -57.387000 48.942000 0.025000 64 M M 2 "MET " " N " 7 0 1 1 53.05 <> 904 64 + 905 3 -58.022000 49.791000 1.034000 64 M M 2 "MET " " CA " 6 0 1 1 53.07 <> 905 64 + 906 2 -57.994000 49.189000 2.435000 64 M M 2 "MET " " C " 6 0 1 1 54.66 <> 906 64 + 907 15 -57.525000 49.833000 3.373000 64 M M 2 "MET " " O " 8 0 1 1 55.69 <> 907 64 + 908 3 -59.457000 50.141000 0.638000 64 M M 2 "MET " " CB " 6 0 1 1 52.62 <> 908 64 + 909 3 -59.563000 51.285000 -0.350000 64 M M 2 "MET " " CG " 6 0 1 1 49.82 <> 909 64 + 910 49 -61.251000 51.878000 -0.558000 64 M M 2 "MET " " SD " 16 0 1 1 48.73 <> 910 64 + 911 3 -61.989000 50.555000 -1.511000 64 M M 2 "MET " " CE " 6 0 1 1 58.99 <> 911 64 + 912 43 -57.944000 48.680000 -0.775000 64 M M 2 "MET " " H " 1 0 1 1 53.05 <> 912 64 + 913 41 -57.460000 50.724000 1.072000 64 M M 2 "MET " " HA " 1 0 1 1 53.07 <> 913 64 + 914 41 -60.030000 50.382000 1.533000 64 M M 2 "MET " " HB3" 1 0 1 1 52.62 <> 914 64 + 915 41 -59.943000 49.258000 0.222000 64 M M 2 "MET " " HB2" 1 0 1 1 52.62 <> 915 64 + 916 41 -59.169000 50.967000 -1.315000 64 M M 2 "MET " " HG3" 1 0 1 1 49.82 <> 916 64 + 917 41 -58.928000 52.108000 -0.021000 64 M M 2 "MET " " HG2" 1 0 1 1 49.82 <> 917 64 + 918 41 -63.034000 50.790000 -1.712000 64 M M 2 "MET " " HE1" 1 0 1 1 58.99 <> 918 64 + 919 41 -61.454000 50.444000 -2.454000 64 M M 2 "MET " " HE2" 1 0 1 1 58.99 <> 919 64 + 920 41 -61.928000 49.624000 -0.948000 64 M M 2 "MET " " HE3" 1 0 1 1 58.99 <> 920 64 + 921 25 -58.489000 47.961000 2.582000 65 D M 2 "ASP " " N " 7 0 1 1 55.79 <> 921 65 + 922 3 -58.508000 47.320000 3.902000 65 D M 2 "ASP " " CA " 6 0 1 1 57.41 <> 922 65 + 923 2 -57.166000 46.724000 4.347000 65 D M 2 "ASP " " C " 6 0 1 1 57.92 <> 923 65 + 924 15 -56.992000 46.423000 5.531000 65 D M 2 "ASP " " O " 8 0 1 1 59.11 <> 924 65 + 925 3 -59.675000 46.325000 4.076000 65 D M 2 "ASP " " CB " 6 0 1 1 57.7 <> 925 65 + 926 2 -60.129000 45.702000 2.773000 65 D M 2 "ASP " " CG " 6 0 1 1 59.17 <> 926 65 + 927 15 -59.334000 44.967000 2.151000 65 D M 2 "ASP " " OD1" 8 0 1 1 92.11 <> 927 65 + 928 18 -61.286000 45.951000 2.371000 65 D M 2 "ASP " " OD2" 8 -1 1 1 70.57 <> 928 65 + 929 43 -58.855000 47.465000 1.782000 65 D M 2 "ASP " " H " 1 0 1 1 55.79 <> 929 65 + 930 41 -58.711000 48.125000 4.608000 65 D M 2 "ASP " " HA " 1 0 1 1 57.41 <> 930 65 + 931 41 -60.517000 46.833000 4.547000 65 D M 2 "ASP " " HB3" 1 0 1 1 57.7 <> 931 65 + 932 41 -59.379000 45.538000 4.770000 65 D M 2 "ASP " " HB2" 1 0 1 1 57.7 <> 932 65 + 933 25 -56.225000 46.552000 3.418000 66 H M 2 "HIS " " N " 7 0 1 1 57.65 <> 933 66 + 934 3 -54.848000 46.247000 3.813000 66 H M 2 "HIS " " CA " 6 0 1 1 57.37 <> 934 66 + 935 2 -54.267000 47.476000 4.505000 66 H M 2 "HIS " " C " 6 0 1 1 57.91 <> 935 66 + 936 15 -53.611000 47.366000 5.546000 66 H M 2 "HIS " " O " 8 0 1 1 58.57 <> 936 66 + 937 3 -53.964000 45.844000 2.627000 66 H M 2 "HIS " " CB " 6 0 1 1 56.69 <> 937 66 + 938 2 -52.511000 45.723000 2.980000 66 H M 2 "HIS " " CG " 6 0 1 1 56.68 <> 938 66 + 939 25 -51.631000 46.782000 2.891000 66 H M 2 "HIS " " ND1" 7 0 1 1 64.84 <> 939 66 + 940 2 -51.786000 44.670000 3.424000 66 H M 2 "HIS " " CD2" 6 0 1 1 64.2 <> 940 66 + 941 2 -50.427000 46.385000 3.264000 66 H M 2 "HIS " " CE1" 6 0 1 1 56.01 <> 941 66 + 942 25 -50.494000 45.108000 3.593000 66 H M 2 "HIS " " NE2" 7 0 1 1 66.08 <> 942 66 + 943 43 -56.461000 46.632000 2.439000 66 H M 2 "HIS " " H " 1 0 1 1 57.65 <> 943 66 + 944 41 -54.867000 45.424000 4.527000 66 H M 2 "HIS " " HA " 1 0 1 1 57.37 <> 944 66 + 945 41 -54.082000 46.572000 1.824000 66 H M 2 "HIS " " HB3" 1 0 1 1 56.69 <> 945 66 + 946 41 -54.317000 44.897000 2.218000 66 H M 2 "HIS " " HB2" 1 0 1 1 56.69 <> 946 66 + 947 43 -51.957000 47.685000 2.577000 66 H M 2 "HIS " " HD1" 1 0 1 1 64.84 <> 947 66 + 948 41 -52.262000 43.712000 3.576000 66 H M 2 "HIS " " HD2" 1 0 1 1 64.2 <> 948 66 + 949 41 -49.603000 47.083000 3.258000 66 H M 2 "HIS " " HE1" 1 0 1 1 56.01 <> 949 66 + 950 25 -54.517000 48.642000 3.910000 67 L M 2 "LEU " " N " 7 0 1 1 57.6 <> 950 67 + 951 3 -54.058000 49.921000 4.445000 67 L M 2 "LEU " " CA " 6 0 1 1 57.03 <> 951 67 + 952 2 -54.656000 50.238000 5.815000 67 L M 2 "LEU " " C " 6 0 1 1 57.15 <> 952 67 + 953 15 -53.992000 50.845000 6.658000 67 L M 2 "LEU " " O " 8 0 1 1 56.92 <> 953 67 + 954 3 -54.364000 51.051000 3.458000 67 L M 2 "LEU " " CB " 6 0 1 1 56.62 <> 954 67 + 955 3 -53.433000 51.173000 2.251000 67 L M 2 "LEU " " CG " 6 0 1 1 51.96 <> 955 67 + 956 3 -54.071000 52.026000 1.170000 67 L M 2 "LEU " " CD1" 6 0 1 1 79.88 <> 956 67 + 957 3 -52.077000 51.734000 2.659000 67 L M 2 "LEU " " CD2" 6 0 1 1 19.82 <> 957 67 + 958 43 -55.046000 48.667000 3.050000 67 L M 2 "LEU " " H " 1 0 1 1 57.6 <> 958 67 + 959 41 -52.976000 49.864000 4.560000 67 L M 2 "LEU " " HA " 1 0 1 1 57.03 <> 959 67 + 960 41 -54.384000 52.000000 3.994000 67 L M 2 "LEU " " HB3" 1 0 1 1 56.62 <> 960 67 + 961 41 -55.392000 50.955000 3.110000 67 L M 2 "LEU " " HB2" 1 0 1 1 56.62 <> 961 67 + 962 41 -53.276000 50.174000 1.844000 67 L M 2 "LEU " " HG " 1 0 1 1 51.96 <> 962 67 + 963 41 -53.394000 52.101000 0.319000 67 L M 2 "LEU " "HD11" 1 0 1 1 79.88 <> 963 67 + 964 41 -55.007000 51.568000 0.850000 67 L M 2 "LEU " "HD12" 1 0 1 1 79.88 <> 964 67 + 965 41 -54.271000 53.022000 1.564000 67 L M 2 "LEU " "HD13" 1 0 1 1 79.88 <> 965 67 + 966 41 -51.436000 51.810000 1.781000 67 L M 2 "LEU " "HD21" 1 0 1 1 19.82 <> 966 67 + 967 41 -52.210000 52.723000 3.098000 67 L M 2 "LEU " "HD22" 1 0 1 1 19.82 <> 967 67 + 968 41 -51.614000 51.071000 3.390000 67 L M 2 "LEU " "HD23" 1 0 1 1 19.82 <> 968 67 + 969 25 -55.905000 49.824000 6.025000 68 D M 2 "ASP " " N " 7 0 1 1 57.15 <> 969 68 + 970 3 -56.591000 50.003000 7.304000 68 D M 2 "ASP " " CA " 6 0 1 1 57.32 <> 970 68 + 971 2 -55.897000 49.256000 8.447000 68 D M 2 "ASP " " C " 6 0 1 1 58.05 <> 971 68 + 972 15 -55.570000 49.858000 9.474000 68 D M 2 "ASP " " O " 8 0 1 1 58.51 <> 972 68 + 973 3 -58.058000 49.566000 7.195000 68 D M 2 "ASP " " CB " 6 0 1 1 56.73 <> 973 68 + 974 2 -58.874000 50.460000 6.274000 68 D M 2 "ASP " " CG " 6 0 1 1 56 <> 974 68 + 975 15 -58.578000 51.672000 6.182000 68 D M 2 "ASP " " OD1" 8 0 1 1 45.76 <> 975 68 + 976 18 -59.819000 49.946000 5.638000 68 D M 2 "ASP " " OD2" 8 -1 1 1 48.94 <> 976 68 + 977 43 -56.416000 49.366000 5.284000 68 D M 2 "ASP " " H " 1 0 1 1 57.15 <> 977 68 + 978 41 -56.577000 51.066000 7.544000 68 D M 2 "ASP " " HA " 1 0 1 1 57.32 <> 978 68 + 979 41 -58.509000 49.561000 8.187000 68 D M 2 "ASP " " HB3" 1 0 1 1 56.73 <> 979 68 + 980 41 -58.104000 48.538000 6.836000 68 D M 2 "ASP " " HB2" 1 0 1 1 56.73 <> 980 68 + 981 25 -55.677000 47.953000 8.259000 69 K M 2 "LYS " " N " 7 0 0 1 57.86 <> 981 69 + 982 3 -55.074000 47.083000 9.277000 69 K M 2 "LYS " " CA " 6 0 0 1 57.44 <> 982 69 + 983 2 -53.713000 47.574000 9.775000 69 K M 2 "LYS " " C " 6 0 0 1 56.95 <> 983 69 + 984 15 -53.003000 48.298000 9.076000 69 K M 2 "LYS " " O " 8 0 0 1 56.62 <> 984 69 + 985 3 -54.963000 45.653000 8.756000 69 K M 2 "LYS " " CB " 6 0 0 1 <> <> 985 69 + 986 3 -54.478000 44.658000 9.814000 69 K M 2 "LYS " " CG " 6 0 0 1 <> <> 986 69 + 987 3 -54.494000 43.192000 9.363000 69 K M 2 "LYS " " CD " 6 0 0 1 <> <> 987 69 + 988 3 -53.403000 42.805000 8.356000 69 K M 2 "LYS " " CE " 6 0 0 1 <> <> 988 69 + 989 32 -52.056000 42.766000 8.952000 69 K M 2 "LYS " " NZ " 7 1 0 1 <> <> 989 69 + 990 43 -55.929000 47.520000 7.382000 69 K M 2 "LYS " " H " 1 0 0 1 57.86 <> 990 69 + 991 41 -55.748000 47.067000 10.133000 69 K M 2 "LYS " " HA " 1 0 0 1 57.44 <> 991 69 + 992 41 -53.378000 47.275000 10.757000 69 K M 2 "LYS " " HXT" 1 0 0 1 56.95 <> 992 69 + 993 41 -55.940000 45.315000 8.411000 69 K M 2 "LYS " " HB2" 1 0 0 1 <> <> 993 69 + 994 41 -54.256000 45.622000 7.927000 69 K M 2 "LYS " " HB3" 1 0 0 1 <> <> 994 69 + 995 41 -53.450000 44.893000 10.090000 69 K M 2 "LYS " " HG2" 1 0 0 1 <> <> 995 69 + 996 41 -55.115000 44.725000 10.696000 69 K M 2 "LYS " " HG3" 1 0 0 1 <> <> 996 69 + 997 41 -54.361000 42.543000 10.228000 69 K M 2 "LYS " " HD2" 1 0 0 1 <> <> 997 69 + 998 41 -55.449000 42.969000 8.886000 69 K M 2 "LYS " " HD3" 1 0 0 1 <> <> 998 69 + 999 41 -53.614000 41.814000 7.953000 69 K M 2 "LYS " " HE2" 1 0 0 1 <> <> 999 69 + 1000 41 -53.384000 43.530000 7.543000 69 K M 2 "LYS " " HE3" 1 0 0 1 <> <> 1000 69 + 1001 44 -51.760000 43.706000 9.176000 69 K M 2 "LYS " " HZ1" 1 0 0 1 <> <> 1001 69 + 1002 44 -52.076000 42.210000 9.794000 69 K M 2 "LYS " " HZ2" 1 0 0 1 <> <> 1002 69 + 1003 44 -51.408000 42.358000 8.294000 69 K M 2 "LYS " " HZ3" 1 0 0 1 <> <> 1003 69 + ::: + } + m_bond[1013] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + ::: + 1 1 2 1 + 2 1 8 1 + 3 1 9 1 + 4 2 3 1 + 5 2 5 1 + 6 2 10 1 + 7 3 4 2 + 8 3 18 1 + 9 5 6 1 + 10 5 7 1 + 11 5 11 1 + 12 6 12 1 + 13 6 13 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954 961 1 + 969 955 956 1 + 970 955 957 1 + 971 955 962 1 + 972 956 963 1 + 973 956 964 1 + 974 956 965 1 + 975 957 966 1 + 976 957 967 1 + 977 957 968 1 + 978 969 970 1 + 979 969 977 1 + 980 970 971 1 + 981 970 973 1 + 982 970 978 1 + 983 971 972 2 + 984 971 981 1 + 985 973 974 1 + 986 973 979 1 + 987 973 980 1 + 988 974 975 2 + 989 974 976 1 + 990 981 982 1 + 991 981 990 1 + 992 982 983 1 + 993 982 985 1 + 994 982 991 1 + 995 983 984 2 + 996 983 992 1 + 997 985 986 1 + 998 985 993 1 + 999 985 994 1 + 1000 986 987 1 + 1001 986 995 1 + 1002 986 996 1 + 1003 987 988 1 + 1004 987 997 1 + 1005 987 998 1 + 1006 988 989 1 + 1007 988 999 1 + 1008 988 1000 1 + 1009 989 1001 1 + 1010 989 1002 1 + 1011 989 1003 1 + 1012 37 459 1 + 1013 47 722 1 + ::: + } + m_PDB_SEQRES[1] { + s_pdb_chain_id + s_pdb_SEQRES + ::: + 1 M "GLN PRO ASP ALA ILE ASN ALA ALA VAL THR CYS CYS TYR ASN PHE THR ASN ARG LYS ILE SER VAL GLN ARG LEU ALA SER TYR ARG ARG ILE THR SER SER LYS CYS PRO LYS GLU ALA VAL ILE PHE LYS THR ILE VAL ALA LYS GLU ILE CYS ALA ASP PRO LYS GLN LYS TRP VAL GLN ASP SER MET ASP HIS LEU ASP LYS GLN THR GLN THR PRO LYS THR " + ::: + } +} + diff --git a/test/PDB/BondsRestoring/4dn4_ag_b.pdb b/test/PDB/BondsRestoring/4dn4_ag_b.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/4dn4_ag_b.pdb @@ -0,0 +1,1011 @@ +SEQRES 1 M 76 GLN PRO ASP ALA ILE ASN ALA ALA VAL THR CYS CYS TYR +SEQRES 2 M 76 ASN PHE THR ASN ARG LYS ILE SER VAL GLN ARG LEU ALA +SEQRES 3 M 76 SER TYR ARG ARG ILE THR SER SER LYS CYS PRO LYS GLU +SEQRES 4 M 76 ALA VAL ILE PHE LYS THR ILE VAL ALA LYS GLU ILE CYS +SEQRES 5 M 76 ALA ASP PRO LYS GLN LYS TRP VAL GLN ASP SER MET ASP +SEQRES 6 M 76 HIS LEU ASP LYS GLN THR GLN THR PRO LYS THR +ATOM 1 N VAL M 9 -54.962 66.935 -5.075 1.00 56.66 N +ATOM 2 CA VAL M 9 -55.777 66.490 -6.246 1.00 56.18 C +ATOM 3 C VAL M 9 -57.265 66.639 -5.931 1.00 54.54 C +ATOM 4 O VAL M 9 -57.743 66.164 -4.899 1.00 54.46 O +ATOM 5 CB VAL M 9 -55.417 65.039 -6.679 1.00 57.10 C +ATOM 6 CG1 VAL M 9 -56.482 64.442 -7.606 1.00 57.79 C +ATOM 7 CG2 VAL M 9 -54.040 65.006 -7.344 1.00 59.44 C +ATOM 8 H1 VAL M 9 -53.980 66.834 -5.290 1.00 56.66 H +ATOM 9 H2 VAL M 9 -55.164 67.904 -4.872 1.00 56.66 H +ATOM 10 HA VAL M 9 -55.547 67.152 -7.081 1.00 56.18 H +ATOM 11 HB VAL M 9 -55.371 64.423 -5.781 1.00 57.10 H +ATOM 12 HG11 VAL M 9 -56.194 63.429 -7.886 1.00 57.79 H +ATOM 13 HG12 VAL M 9 -57.441 64.417 -7.089 1.00 57.79 H +ATOM 14 HG13 VAL M 9 -56.569 65.055 -8.503 1.00 57.79 H +ATOM 15 HG21 VAL M 9 -53.804 63.984 -7.641 1.00 59.44 H +ATOM 16 HG22 VAL M 9 -54.046 65.647 -8.225 1.00 59.44 H +ATOM 17 HG23 VAL M 9 -53.288 65.363 -6.641 1.00 59.44 H +ATOM 18 N THR M 10 -57.988 67.301 -6.831 1.00 53.12 N +ATOM 19 CA THR M 10 -59.380 67.674 -6.587 1.00 51.54 C +ATOM 20 C THR M 10 -60.370 66.553 -6.904 1.00 50.45 C +ATOM 21 O THR M 10 -60.808 65.840 -6.005 1.00 49.69 O +ATOM 22 CB THR M 10 -59.754 68.981 -7.325 1.00 50.33 C +ATOM 23 OG1 THR M 10 -58.859 70.021 -6.917 1.00 53.90 O +ATOM 24 CG2 THR M 10 -61.184 69.408 -6.998 1.00 57.55 C +ATOM 25 H THR M 10 -57.577 67.562 -7.716 1.00 53.12 H +ATOM 26 HA THR M 10 -59.468 67.879 -5.520 1.00 51.54 H +ATOM 27 HB THR M 10 -59.661 68.827 -8.400 1.00 50.33 H +ATOM 28 HG1 THR M 10 -59.086 70.836 -7.372 1.00 53.90 H +ATOM 29 HG21 THR M 10 -61.419 70.329 -7.531 1.00 57.55 H +ATOM 30 HG22 THR M 10 -61.877 68.624 -7.305 1.00 57.55 H +ATOM 31 HG23 THR M 10 -61.277 69.575 -5.925 1.00 57.55 H +ATOM 32 N CYS M 11 -60.714 66.407 -8.180 1.00 49.65 N +ATOM 33 CA CYS M 11 -61.690 65.422 -8.620 1.00 47.61 C +ATOM 34 C CYS M 11 -61.025 64.386 -9.516 1.00 46.85 C +ATOM 35 O CYS M 11 -59.889 64.579 -9.954 1.00 46.37 O +ATOM 36 CB CYS M 11 -62.837 66.119 -9.356 1.00 47.15 C +ATOM 37 SG CYS M 11 -64.111 66.806 -8.267 1.00 51.90 S +ATOM 38 H CYS M 11 -60.293 66.993 -8.887 1.00 49.65 H +ATOM 39 HA CYS M 11 -62.095 64.916 -7.743 1.00 47.61 H +ATOM 40 HB3 CYS M 11 -63.297 65.419 -10.053 1.00 47.15 H +ATOM 41 HB2 CYS M 11 -62.433 66.912 -9.985 1.00 47.15 H +ATOM 42 N CYS M 12 -61.730 63.292 -9.787 1.00 47.05 N +ATOM 43 CA CYS M 12 -61.223 62.258 -10.687 1.00 48.08 C +ATOM 44 C CYS M 12 -62.050 62.161 -11.968 1.00 48.75 C +ATOM 45 O CYS M 12 -63.282 62.079 -11.927 1.00 50.69 O +ATOM 46 CB CYS M 12 -61.153 60.904 -9.981 1.00 47.99 C +ATOM 47 SG CYS M 12 -59.984 60.849 -8.597 1.00 56.11 S +ATOM 48 H CYS M 12 -62.639 63.160 -9.367 1.00 47.05 H +ATOM 49 HA CYS M 12 -60.208 62.536 -10.970 1.00 48.08 H +ATOM 50 HB3 CYS M 12 -60.892 60.132 -10.705 1.00 47.99 H +ATOM 51 HB2 CYS M 12 -62.146 60.630 -9.626 1.00 47.99 H +ATOM 52 N TYR M 13 -61.358 62.170 -13.103 1.00 48.20 N +ATOM 53 CA TYR M 13 -62.008 62.162 -14.409 1.00 47.80 C +ATOM 54 C TYR M 13 -61.679 60.885 -15.180 1.00 47.74 C +ATOM 55 O TYR M 13 -62.518 60.368 -15.919 1.00 48.43 O +ATOM 56 CB TYR M 13 -61.619 63.415 -15.194 1.00 47.91 C +ATOM 57 CG TYR M 13 -61.683 64.678 -14.358 1.00 49.02 C +ATOM 58 CD1 TYR M 13 -60.517 65.310 -13.922 1.00 76.76 C +ATOM 59 CD2 TYR M 13 -62.911 65.241 -14.003 1.00 56.38 C +ATOM 60 CE1 TYR M 13 -60.570 66.471 -13.152 1.00 28.47 C +ATOM 61 CE2 TYR M 13 -62.976 66.402 -13.233 1.00 42.00 C +ATOM 62 CZ TYR M 13 -61.802 67.010 -12.813 1.00 90.24 C +ATOM 63 OH TYR M 13 -61.860 68.156 -12.054 1.00 56.76 O +ATOM 64 H TYR M 13 -60.348 62.183 -13.079 1.00 48.20 H +ATOM 65 HA TYR M 13 -63.086 62.188 -14.248 1.00 47.80 H +ATOM 66 HB3 TYR M 13 -62.275 63.519 -16.058 1.00 47.91 H +ATOM 67 HB2 TYR M 13 -60.611 63.295 -15.592 1.00 47.91 H +ATOM 68 HD1 TYR M 13 -59.552 64.900 -14.180 1.00 76.76 H +ATOM 69 HD2 TYR M 13 -63.831 64.777 -14.325 1.00 56.38 H +ATOM 70 HE1 TYR M 13 -59.656 66.944 -12.824 1.00 28.47 H +ATOM 71 HE2 TYR M 13 -63.935 66.821 -12.968 1.00 42.00 H +ATOM 72 HH TYR M 13 -62.749 68.516 -12.085 1.00 56.76 H +ATOM 73 N ASN M 14 -60.458 60.389 -15.001 1.00 47.51 N +ATOM 74 CA ASN M 14 -60.060 59.074 -15.493 1.00 48.02 C +ATOM 75 C ASN M 14 -59.475 58.235 -14.371 1.00 48.03 C +ATOM 76 O ASN M 14 -58.746 58.749 -13.522 1.00 48.78 O +ATOM 77 CB ASN M 14 -59.032 59.193 -16.618 1.00 48.48 C +ATOM 78 CG ASN M 14 -59.637 59.693 -17.913 1.00 55.21 C +ATOM 79 OD1 ASN M 14 -59.766 58.799 -18.894 1.00 49.65 O +ATOM 80 ND2 ASN M 14 -59.985 60.867 -18.035 1.00 39.88 N +ATOM 81 H ASN M 14 -59.761 60.928 -14.507 1.00 47.51 H +ATOM 82 HA ASN M 14 -60.943 58.567 -15.882 1.00 48.02 H +ATOM 83 HB3 ASN M 14 -58.566 58.222 -16.787 1.00 48.48 H +ATOM 84 HB2 ASN M 14 -58.232 59.866 -16.308 1.00 48.48 H +ATOM 85 HD22 ASN M 14 -60.387 61.187 -18.905 1.00 39.88 H +ATOM 86 HD21 ASN M 14 -59.869 61.511 -17.266 1.00 39.88 H +ATOM 87 N PHE M 15 -59.795 56.945 -14.370 1.00 48.30 N +ATOM 88 CA PHE M 15 -59.224 56.021 -13.396 1.00 48.90 C +ATOM 89 C PHE M 15 -57.920 55.427 -13.905 1.00 49.40 C +ATOM 90 O PHE M 15 -57.719 55.300 -15.113 1.00 50.62 O +ATOM 91 CB PHE M 15 -60.209 54.896 -13.058 1.00 47.85 C +ATOM 92 CG PHE M 15 -61.429 55.356 -12.313 1.00 51.12 C +ATOM 93 CD1 PHE M 15 -62.700 54.985 -12.741 1.00114.20 C +ATOM 94 CD2 PHE M 15 -61.312 56.160 -11.182 1.00 92.34 C +ATOM 95 CE1 PHE M 15 -63.837 55.408 -12.054 1.00113.72 C +ATOM 96 CE2 PHE M 15 -62.441 56.587 -10.492 1.00 68.14 C +ATOM 97 CZ PHE M 15 -63.705 56.211 -10.927 1.00 81.63 C +ATOM 98 H PHE M 15 -60.446 56.586 -15.053 1.00 48.30 H +ATOM 99 HA PHE M 15 -59.013 56.576 -12.482 1.00 48.90 H +ATOM 100 HB3 PHE M 15 -59.697 54.130 -12.475 1.00 47.85 H +ATOM 101 HB2 PHE M 15 -60.514 54.395 -13.977 1.00 47.85 H +ATOM 102 HD1 PHE M 15 -62.815 54.362 -13.616 1.00114.20 H +ATOM 103 HD2 PHE M 15 -60.336 56.459 -10.831 1.00 92.34 H +ATOM 104 HE1 PHE M 15 -64.817 55.112 -12.398 1.00113.72 H +ATOM 105 HE2 PHE M 15 -62.335 57.211 -9.617 1.00 68.14 H +ATOM 106 HZ PHE M 15 -64.584 56.540 -10.393 1.00 81.63 H +ATOM 107 N THR M 16 -57.038 55.066 -12.977 1.00 50.01 N +ATOM 108 CA THR M 16 -55.871 54.259 -13.303 1.00 51.52 C +ATOM 109 C THR M 16 -56.365 52.896 -13.774 1.00 52.54 C +ATOM 110 O THR M 16 -57.301 52.335 -13.199 1.00 53.22 O +ATOM 111 CB THR M 16 -54.913 54.094 -12.091 1.00 51.63 C +ATOM 112 OG1 THR M 16 -53.673 53.518 -12.520 1.00 52.23 O +ATOM 113 CG2 THR M 16 -55.524 53.206 -10.999 1.00 54.97 C +ATOM 114 H THR M 16 -57.169 55.352 -12.017 1.00 50.01 H +ATOM 115 HA THR M 16 -55.328 54.738 -14.118 1.00 51.52 H +ATOM 116 HB THR M 16 -54.713 55.079 -11.668 1.00 51.63 H +ATOM 117 HG1 THR M 16 -53.044 54.217 -12.711 1.00 52.23 H +ATOM 118 HG21 THR M 16 -54.823 53.116 -10.169 1.00 54.97 H +ATOM 119 HG22 THR M 16 -56.452 53.654 -10.643 1.00 54.97 H +ATOM 120 HG23 THR M 16 -55.732 52.217 -11.408 1.00 54.97 H +ATOM 121 N ASN M 17 -55.741 52.366 -14.818 1.00 53.89 N +ATOM 122 CA ASN M 17 -56.112 51.047 -15.323 1.00 54.67 C +ATOM 123 C ASN M 17 -55.037 50.001 -15.048 1.00 53.50 C +ATOM 124 O ASN M 17 -55.024 48.933 -15.666 1.00 55.50 O +ATOM 125 CB ASN M 17 -56.463 51.111 -16.817 1.00 55.28 C +ATOM 126 CG ASN M 17 -57.854 51.682 -17.070 1.00 60.47 C +ATOM 127 OD1 ASN M 17 -58.737 51.614 -16.211 1.00 84.27 O +ATOM 128 ND2 ASN M 17 -58.052 52.250 -18.258 1.00 50.62 N +ATOM 129 H ASN M 17 -54.998 52.876 -15.275 1.00 53.89 H +ATOM 130 HA ASN M 17 -57.011 50.736 -14.791 1.00 54.67 H +ATOM 131 HB3 ASN M 17 -56.398 50.112 -17.248 1.00 55.28 H +ATOM 132 HB2 ASN M 17 -55.722 51.718 -17.337 1.00 55.28 H +ATOM 133 HD22 ASN M 17 -58.953 52.646 -18.484 1.00 50.62 H +ATOM 134 HD21 ASN M 17 -57.301 52.285 -18.933 1.00 50.62 H +ATOM 135 N ARG M 18 -54.141 50.318 -14.117 1.00 50.52 N +ATOM 136 CA ARG M 18 -53.028 49.440 -13.786 1.00 48.56 C +ATOM 137 C ARG M 18 -52.910 49.254 -12.279 1.00 47.09 C +ATOM 138 O ARG M 18 -52.719 50.221 -11.538 1.00 46.40 O +ATOM 139 CB ARG M 18 -51.726 49.999 -14.367 1.00 49.11 C +ATOM 140 CG ARG M 18 -50.542 49.057 -14.274 1.00 47.33 C +ATOM 141 CD ARG M 18 -49.301 49.688 -14.872 1.00 35.80 C +ATOM 142 NE ARG M 18 -48.103 48.922 -14.537 1.00 50.73 N +ATOM 143 CZ ARG M 18 -46.855 49.311 -14.788 1.00 16.96 C +ATOM 144 NH1 ARG M 18 -46.611 50.471 -15.385 1.00 36.06 N +ATOM 145 NH2 ARG M 18 -45.845 48.530 -14.436 1.00 31.86 N +ATOM 146 H ARG M 18 -54.221 51.191 -13.615 1.00 50.52 H +ATOM 147 HA ARG M 18 -53.214 48.466 -14.238 1.00 48.56 H +ATOM 148 HB3 ARG M 18 -51.481 50.937 -13.868 1.00 49.11 H +ATOM 149 HB2 ARG M 18 -51.885 50.277 -15.409 1.00 49.11 H +ATOM 150 HG3 ARG M 18 -50.771 48.133 -14.805 1.00 47.33 H +ATOM 151 HG2 ARG M 18 -50.356 48.810 -13.229 1.00 47.33 H +ATOM 152 HD3 ARG M 18 -49.196 50.707 -14.499 1.00 35.80 H +ATOM 153 HD2 ARG M 18 -49.407 49.741 -15.956 1.00 35.80 H +ATOM 154 HE ARG M 18 -48.274 48.037 -14.082 1.00 50.73 H +ATOM 155 HH12 ARG M 18 -45.659 50.754 -15.569 1.00 36.06 H +ATOM 156 HH11 ARG M 18 -47.377 51.071 -15.655 1.00 36.06 H +ATOM 157 HH22 ARG M 18 -44.895 48.818 -14.623 1.00 31.86 H +ATOM 158 HH21 ARG M 18 -46.025 47.647 -13.981 1.00 31.86 H +ATOM 159 N LYS M 19 -53.028 48.003 -11.840 1.00 46.27 N +ATOM 160 CA LYS M 19 -52.931 47.650 -10.426 1.00 45.96 C +ATOM 161 C LYS M 19 -51.572 48.043 -9.835 1.00 45.28 C +ATOM 162 O LYS M 19 -50.522 47.749 -10.418 1.00 45.45 O +ATOM 163 CB LYS M 19 -53.184 46.150 -10.230 1.00 45.40 C +ATOM 164 CG LYS M 19 -53.143 45.696 -8.774 1.00 52.78 C +ATOM 165 CD LYS M 19 -52.911 44.201 -8.637 1.00116.21 C +ATOM 166 CE LYS M 19 -52.790 43.809 -7.171 1.00 85.01 C +ATOM 167 NZ LYS M 19 -52.192 42.457 -6.998 1.00 46.96 N +ATOM 168 H LYS M 19 -53.192 47.251 -12.495 1.00 46.27 H +ATOM 169 HA LYS M 19 -53.705 48.197 -9.887 1.00 45.96 H +ATOM 170 HB3 LYS M 19 -52.454 45.582 -10.806 1.00 45.40 H +ATOM 171 HB2 LYS M 19 -54.149 45.887 -10.664 1.00 45.40 H +ATOM 172 HG3 LYS M 19 -54.079 45.964 -8.285 1.00 52.78 H +ATOM 173 HG2 LYS M 19 -52.354 46.235 -8.249 1.00 52.78 H +ATOM 174 HD3 LYS M 19 -51.997 43.926 -9.163 1.00116.21 H +ATOM 175 HD2 LYS M 19 -53.743 43.662 -9.089 1.00116.21 H +ATOM 176 HE3 LYS M 19 -53.776 43.831 -6.707 1.00 85.01 H +ATOM 177 HE2 LYS M 19 -52.179 44.545 -6.648 1.00 85.01 H +ATOM 178 HZ1 LYS M 19 -51.311 42.413 -7.490 1.00 46.96 H +ATOM 179 HZ2 LYS M 19 -52.038 42.280 -6.016 1.00 46.96 H +ATOM 180 HZ3 LYS M 19 -52.821 41.760 -7.371 1.00 46.96 H +ATOM 181 N ILE M 20 -51.615 48.707 -8.679 1.00 43.69 N +ATOM 182 CA ILE M 20 -50.422 49.082 -7.919 1.00 42.07 C +ATOM 183 C ILE M 20 -50.239 48.120 -6.742 1.00 41.76 C +ATOM 184 O ILE M 20 -51.215 47.695 -6.120 1.00 42.58 O +ATOM 185 CB ILE M 20 -50.522 50.532 -7.372 1.00 41.16 C +ATOM 186 CG1 ILE M 20 -51.039 51.494 -8.445 1.00 42.71 C +ATOM 187 CG2 ILE M 20 -49.170 51.015 -6.845 1.00 45.76 C +ATOM 188 CD1 ILE M 20 -51.580 52.809 -7.898 1.00 20.08 C +ATOM 189 H ILE M 20 -52.505 48.978 -8.285 1.00 43.69 H +ATOM 190 HA ILE M 20 -49.552 49.011 -8.571 1.00 42.07 H +ATOM 191 HB ILE M 20 -51.230 50.535 -6.543 1.00 41.16 H +ATOM 192 HG13 ILE M 20 -51.815 51.000 -9.030 1.00 42.71 H +ATOM 193 HG12 ILE M 20 -50.242 51.701 -9.159 1.00 42.71 H +ATOM 194 HG21 ILE M 20 -49.269 52.033 -6.468 1.00 45.76 H +ATOM 195 HG22 ILE M 20 -48.839 50.360 -6.039 1.00 45.76 H +ATOM 196 HG23 ILE M 20 -48.437 50.996 -7.652 1.00 45.76 H +ATOM 197 HD11 ILE M 20 -51.925 53.432 -8.723 1.00 20.08 H +ATOM 198 HD12 ILE M 20 -52.412 52.608 -7.223 1.00 20.08 H +ATOM 199 HD13 ILE M 20 -50.791 53.330 -7.356 1.00 20.08 H +ATOM 200 N SER M 21 -48.987 47.783 -6.442 1.00 41.68 N +ATOM 201 CA SER M 21 -48.648 47.024 -5.241 1.00 42.93 C +ATOM 202 C SER M 21 -48.910 47.860 -3.988 1.00 44.27 C +ATOM 203 O SER M 21 -48.605 49.057 -3.959 1.00 44.75 O +ATOM 204 CB SER M 21 -47.178 46.614 -5.273 1.00 42.89 C +ATOM 205 OG SER M 21 -46.808 45.972 -4.065 1.00 44.34 O +ATOM 206 H SER M 21 -48.231 48.053 -7.055 1.00 41.68 H +ATOM 207 HA SER M 21 -49.265 46.126 -5.203 1.00 42.93 H +ATOM 208 HB3 SER M 21 -46.558 47.498 -5.419 1.00 42.89 H +ATOM 209 HB2 SER M 21 -47.008 45.937 -6.110 1.00 42.89 H +ATOM 210 HG SER M 21 -47.064 45.047 -4.102 1.00 44.34 H +ATOM 211 N VAL M 22 -49.472 47.226 -2.958 1.00 44.55 N +ATOM 212 CA VAL M 22 -49.753 47.907 -1.686 1.00 44.58 C +ATOM 213 C VAL M 22 -48.476 48.449 -1.036 1.00 44.13 C +ATOM 214 O VAL M 22 -48.528 49.405 -0.260 1.00 45.12 O +ATOM 215 CB VAL M 22 -50.535 47.011 -0.675 1.00 45.77 C +ATOM 216 CG1 VAL M 22 -51.961 46.750 -1.162 1.00 43.42 C +ATOM 217 CG2 VAL M 22 -49.795 45.696 -0.394 1.00 47.05 C +ATOM 218 H VAL M 22 -49.717 46.250 -3.039 1.00 44.55 H +ATOM 219 HA VAL M 22 -50.387 48.764 -1.913 1.00 44.58 H +ATOM 220 HB VAL M 22 -50.603 47.558 0.265 1.00 45.77 H +ATOM 221 HG11 VAL M 22 -52.483 46.123 -0.439 1.00 43.42 H +ATOM 222 HG12 VAL M 22 -52.488 47.698 -1.269 1.00 43.42 H +ATOM 223 HG13 VAL M 22 -51.929 46.242 -2.126 1.00 43.42 H +ATOM 224 HG21 VAL M 22 -50.370 45.099 0.314 1.00 47.05 H +ATOM 225 HG22 VAL M 22 -49.675 45.140 -1.324 1.00 47.05 H +ATOM 226 HG23 VAL M 22 -48.814 45.914 0.028 1.00 47.05 H +ATOM 227 N GLN M 23 -47.341 47.829 -1.362 1.00 42.45 N +ATOM 228 CA GLN M 23 -46.025 48.262 -0.880 1.00 40.34 C +ATOM 229 C GLN M 23 -45.670 49.686 -1.313 1.00 38.88 C +ATOM 230 O GLN M 23 -44.764 50.305 -0.748 1.00 37.85 O +ATOM 231 CB GLN M 23 -44.937 47.306 -1.369 1.00 40.25 C +ATOM 232 CG GLN M 23 -45.015 45.898 -0.799 1.00 37.88 C +ATOM 233 CD GLN M 23 -43.829 45.040 -1.212 1.00121.52 C +ATOM 234 OE1 GLN M 23 -44.088 43.765 -1.473 1.00 35.95 O +ATOM 235 NE2 GLN M 23 -42.694 45.518 -1.295 1.00 25.18 N +ATOM 236 H GLN M 23 -47.363 47.021 -1.968 1.00 42.45 H +ATOM 237 HA GLN M 23 -46.037 48.232 0.210 1.00 40.34 H +ATOM 238 HB3 GLN M 23 -43.958 47.731 -1.148 1.00 40.25 H +ATOM 239 HB2 GLN M 23 -44.963 47.256 -2.458 1.00 40.25 H +ATOM 240 HG3 GLN M 23 -45.939 45.423 -1.131 1.00 37.88 H +ATOM 241 HG2 GLN M 23 -45.064 45.950 0.289 1.00 37.88 H +ATOM 242 HE22 GLN M 23 -41.918 44.933 -1.571 1.00 25.18 H +ATOM 243 HE21 GLN M 23 -42.541 46.494 -1.087 1.00 25.18 H +ATOM 244 N ARG M 24 -46.389 50.194 -2.314 1.00 37.91 N +ATOM 245 CA ARG M 24 -46.146 51.528 -2.869 1.00 36.60 C +ATOM 246 C ARG M 24 -47.215 52.513 -2.432 1.00 34.81 C +ATOM 247 O ARG M 24 -47.205 53.675 -2.842 1.00 33.42 O +ATOM 248 CB ARG M 24 -46.111 51.479 -4.401 1.00 36.58 C +ATOM 249 CG ARG M 24 -45.098 50.520 -4.991 1.00 37.05 C +ATOM 250 CD ARG M 24 -43.673 51.000 -4.783 1.00 62.40 C +ATOM 251 NE ARG M 24 -42.779 50.412 -5.776 1.00 68.26 N +ATOM 252 CZ ARG M 24 -42.168 49.240 -5.640 1.00 27.54 C +ATOM 253 NH1 ARG M 24 -42.343 48.505 -4.548 1.00 62.70 N +ATOM 254 NH2 ARG M 24 -41.377 48.800 -6.604 1.00 41.81 N +ATOM 255 H ARG M 24 -47.138 49.654 -2.723 1.00 37.91 H +ATOM 256 HA ARG M 24 -45.180 51.883 -2.511 1.00 36.60 H +ATOM 257 HB3 ARG M 24 -45.928 52.481 -4.790 1.00 36.58 H +ATOM 258 HB2 ARG M 24 -47.104 51.231 -4.776 1.00 36.58 H +ATOM 259 HG3 ARG M 24 -45.289 50.402 -6.058 1.00 37.05 H +ATOM 260 HG2 ARG M 24 -45.220 49.538 -4.535 1.00 37.05 H +ATOM 261 HD3 ARG M 24 -43.339 50.722 -3.784 1.00 62.40 H +ATOM 262 HD2 ARG M 24 -43.641 52.087 -4.864 1.00 62.40 H +ATOM 263 HE ARG M 24 -42.638 50.961 -6.612 1.00 68.26 H +ATOM 264 HH12 ARG M 24 -41.873 47.616 -4.457 1.00 62.70 H +ATOM 265 HH11 ARG M 24 -42.946 48.835 -3.808 1.00 62.70 H +ATOM 266 HH22 ARG M 24 -40.910 47.910 -6.507 1.00 41.81 H +ATOM 267 HH21 ARG M 24 -41.240 49.354 -7.437 1.00 41.81 H +ATOM 268 N LEU M 25 -48.136 52.040 -1.599 1.00 34.56 N +ATOM 269 CA LEU M 25 -49.257 52.854 -1.156 1.00 34.49 C +ATOM 270 C LEU M 25 -49.118 53.226 0.315 1.00 34.89 C +ATOM 271 O LEU M 25 -48.941 52.359 1.176 1.00 34.91 O +ATOM 272 CB LEU M 25 -50.582 52.134 -1.427 1.00 34.20 C +ATOM 273 CG LEU M 25 -50.846 51.682 -2.870 1.00 33.38 C +ATOM 274 CD1 LEU M 25 -52.201 50.986 -2.985 1.00 12.77 C +ATOM 275 CD2 LEU M 25 -50.748 52.846 -3.859 1.00 20.88 C +ATOM 276 H LEU M 25 -48.068 51.092 -1.257 1.00 34.56 H +ATOM 277 HA LEU M 25 -49.252 53.776 -1.737 1.00 34.49 H +ATOM 278 HB3 LEU M 25 -51.407 52.763 -1.092 1.00 34.20 H +ATOM 279 HB2 LEU M 25 -50.666 51.275 -0.761 1.00 34.20 H +ATOM 280 HG LEU M 25 -50.077 50.956 -3.136 1.00 33.38 H +ATOM 281 HD11 LEU M 25 -52.364 50.675 -4.017 1.00 12.77 H +ATOM 282 HD12 LEU M 25 -52.217 50.110 -2.336 1.00 12.77 H +ATOM 283 HD13 LEU M 25 -52.990 51.675 -2.684 1.00 12.77 H +ATOM 284 HD21 LEU M 25 -50.942 52.483 -4.868 1.00 20.88 H +ATOM 285 HD22 LEU M 25 -51.484 53.607 -3.600 1.00 20.88 H +ATOM 286 HD23 LEU M 25 -49.748 53.278 -3.814 1.00 20.88 H +ATOM 287 N ALA M 26 -49.199 54.525 0.588 1.00 35.22 N +ATOM 288 CA ALA M 26 -49.071 55.043 1.944 1.00 35.41 C +ATOM 289 C ALA M 26 -50.427 55.074 2.641 1.00 35.83 C +ATOM 290 O ALA M 26 -50.558 54.589 3.764 1.00 35.83 O +ATOM 291 CB ALA M 26 -48.435 56.431 1.930 1.00 34.77 C +ATOM 292 H ALA M 26 -49.354 55.189 -0.157 1.00 35.22 H +ATOM 293 HA ALA M 26 -48.416 54.374 2.503 1.00 35.41 H +ATOM 294 HB1 ALA M 26 -48.348 56.801 2.951 1.00 34.77 H +ATOM 295 HB2 ALA M 26 -47.444 56.373 1.479 1.00 34.77 H +ATOM 296 HB3 ALA M 26 -49.058 57.111 1.349 1.00 34.77 H +ATOM 297 N SER M 27 -51.424 55.644 1.965 1.00 36.33 N +ATOM 298 CA SER M 27 -52.778 55.793 2.504 1.00 37.05 C +ATOM 299 C SER M 27 -53.784 56.089 1.388 1.00 37.68 C +ATOM 300 O SER M 27 -53.399 56.336 0.244 1.00 37.88 O +ATOM 301 CB SER M 27 -52.815 56.912 3.549 1.00 36.33 C +ATOM 302 OG SER M 27 -52.239 58.099 3.031 1.00 36.26 O +ATOM 303 H SER M 27 -51.264 55.999 1.033 1.00 36.33 H +ATOM 304 HA SER M 27 -53.063 54.859 2.988 1.00 37.05 H +ATOM 305 HB3 SER M 27 -52.265 56.599 4.436 1.00 36.33 H +ATOM 306 HB2 SER M 27 -53.848 57.106 3.837 1.00 36.33 H +ATOM 307 HG SER M 27 -52.730 58.382 2.256 1.00 36.26 H +ATOM 308 N TYR M 28 -55.070 56.063 1.727 1.00 37.57 N +ATOM 309 CA TYR M 28 -56.128 56.393 0.775 1.00 37.23 C +ATOM 310 C TYR M 28 -57.149 57.348 1.379 1.00 37.31 C +ATOM 311 O TYR M 28 -57.252 57.479 2.598 1.00 38.67 O +ATOM 312 CB TYR M 28 -56.836 55.126 0.273 1.00 37.71 C +ATOM 313 CG TYR M 28 -57.778 54.480 1.278 1.00 35.69 C +ATOM 314 CD1 TYR M 28 -59.160 54.660 1.190 1.00 74.72 C +ATOM 315 CD2 TYR M 28 -57.284 53.689 2.315 1.00 28.11 C +ATOM 316 CE1 TYR M 28 -60.024 54.066 2.114 1.00 45.90 C +ATOM 317 CE2 TYR M 28 -58.135 53.095 3.238 1.00 73.62 C +ATOM 318 CZ TYR M 28 -59.501 53.286 3.133 1.00 41.33 C +ATOM 319 OH TYR M 28 -60.340 52.694 4.051 1.00 62.48 O +ATOM 320 H TYR M 28 -55.339 55.810 2.667 1.00 37.57 H +ATOM 321 HA TYR M 28 -55.670 56.886 -0.082 1.00 37.23 H +ATOM 322 HB3 TYR M 28 -56.090 54.397 -0.042 1.00 37.71 H +ATOM 323 HB2 TYR M 28 -57.386 55.357 -0.639 1.00 37.71 H +ATOM 324 HD1 TYR M 28 -59.576 55.266 0.399 1.00 74.72 H +ATOM 325 HD2 TYR M 28 -56.220 53.528 2.412 1.00 28.11 H +ATOM 326 HE1 TYR M 28 -61.090 54.217 2.031 1.00 45.90 H +ATOM 327 HE2 TYR M 28 -57.729 52.487 4.033 1.00 73.62 H +ATOM 328 HH TYR M 28 -59.820 52.193 4.684 1.00 62.48 H +ATOM 329 N ARG M 29 -57.897 58.009 0.505 1.00 36.82 N +ATOM 330 CA ARG M 29 -59.035 58.822 0.895 1.00 36.40 C +ATOM 331 C ARG M 29 -60.123 58.641 -0.155 1.00 38.38 C +ATOM 332 O ARG M 29 -59.835 58.466 -1.342 1.00 39.15 O +ATOM 333 CB ARG M 29 -58.643 60.297 1.050 1.00 35.54 C +ATOM 334 CG ARG M 29 -58.202 61.003 -0.227 1.00 32.51 C +ATOM 335 CD ARG M 29 -57.713 62.411 0.072 1.00 21.07 C +ATOM 336 NE ARG M 29 -57.127 63.060 -1.101 1.00 29.43 N +ATOM 337 CZ ARG M 29 -57.791 63.860 -1.933 1.00 36.89 C +ATOM 338 NH1 ARG M 29 -57.167 64.400 -2.968 1.00 32.83 N +ATOM 339 NH2 ARG M 29 -59.077 64.124 -1.737 1.00 16.77 N +ATOM 340 H ARG M 29 -57.684 57.959 -0.481 1.00 36.82 H +ATOM 341 HA ARG M 29 -59.411 58.459 1.852 1.00 36.40 H +ATOM 342 HB3 ARG M 29 -57.856 60.383 1.799 1.00 35.54 H +ATOM 343 HB2 ARG M 29 -59.473 60.845 1.496 1.00 35.54 H +ATOM 344 HG3 ARG M 29 -59.039 61.050 -0.923 1.00 32.51 H +ATOM 345 HG2 ARG M 29 -57.401 60.433 -0.699 1.00 32.51 H +ATOM 346 HD3 ARG M 29 -56.975 62.376 0.873 1.00 21.07 H +ATOM 347 HD2 ARG M 29 -58.544 63.012 0.442 1.00 21.07 H +ATOM 348 HE ARG M 29 -56.149 62.866 -1.260 1.00 29.43 H +ATOM 349 HH12 ARG M 29 -57.669 65.007 -3.600 1.00 32.83 H +ATOM 350 HH11 ARG M 29 -56.189 64.205 -3.126 1.00 32.83 H +ATOM 351 HH22 ARG M 29 -59.571 64.732 -2.375 1.00 16.77 H +ATOM 352 HH21 ARG M 29 -59.562 63.717 -0.950 1.00 16.77 H +ATOM 353 N ARG M 30 -61.373 58.683 0.282 1.00 39.38 N +ATOM 354 CA ARG M 30 -62.487 58.513 -0.632 1.00 39.75 C +ATOM 355 C ARG M 30 -62.932 59.865 -1.162 1.00 40.91 C +ATOM 356 O ARG M 30 -62.601 60.909 -0.593 1.00 39.89 O +ATOM 357 CB ARG M 30 -63.651 57.799 0.059 1.00 39.97 C +ATOM 358 CG ARG M 30 -63.395 56.336 0.363 1.00 35.92 C +ATOM 359 CD ARG M 30 -64.624 55.695 0.997 1.00 85.30 C +ATOM 360 NE ARG M 30 -64.580 54.234 0.945 1.00 42.78 N +ATOM 361 CZ ARG M 30 -64.918 53.501 -0.116 1.00145.38 C +ATOM 362 NH1 ARG M 30 -65.334 54.079 -1.240 1.00 50.89 N +ATOM 363 NH2 ARG M 30 -64.840 52.180 -0.053 1.00 96.35 N +ATOM 364 H ARG M 30 -61.560 58.835 1.263 1.00 39.38 H +ATOM 365 HA ARG M 30 -62.156 57.903 -1.472 1.00 39.75 H +ATOM 366 HB3 ARG M 30 -64.546 57.889 -0.556 1.00 39.97 H +ATOM 367 HB2 ARG M 30 -63.898 58.322 0.983 1.00 39.97 H +ATOM 368 HG3 ARG M 30 -62.548 56.250 1.044 1.00 35.92 H +ATOM 369 HG2 ARG M 30 -63.147 55.811 -0.560 1.00 35.92 H +ATOM 370 HD3 ARG M 30 -65.521 56.049 0.488 1.00 85.30 H +ATOM 371 HD2 ARG M 30 -64.707 56.018 2.035 1.00 85.30 H +ATOM 372 HE ARG M 30 -64.266 53.782 1.792 1.00 42.78 H +ATOM 373 HH12 ARG M 30 -65.587 53.511 -2.036 1.00 50.89 H +ATOM 374 HH11 ARG M 30 -65.397 55.085 -1.297 1.00 50.89 H +ATOM 375 HH22 ARG M 30 -65.095 51.620 -0.854 1.00 96.35 H +ATOM 376 HH21 ARG M 30 -64.526 51.733 0.796 1.00 96.35 H +ATOM 377 N ILE M 31 -63.684 59.832 -2.257 1.00 43.02 N +ATOM 378 CA ILE M 31 -64.356 61.011 -2.782 1.00 45.39 C +ATOM 379 C ILE M 31 -65.738 60.594 -3.284 1.00 47.61 C +ATOM 380 O ILE M 31 -65.920 59.458 -3.733 1.00 46.72 O +ATOM 381 CB ILE M 31 -63.505 61.740 -3.858 1.00 45.45 C +ATOM 382 CG1 ILE M 31 -63.817 63.237 -3.841 1.00 46.27 C +ATOM 383 CG2 ILE M 31 -63.689 61.128 -5.254 1.00 46.06 C +ATOM 384 CD1 ILE M 31 -62.814 64.080 -4.570 1.00163.18 C +ATOM 385 H ILE M 31 -63.807 58.964 -2.759 1.00 43.02 H +ATOM 386 HA ILE M 31 -64.502 61.703 -1.953 1.00 45.39 H +ATOM 387 HB ILE M 31 -62.457 61.620 -3.583 1.00 45.45 H +ATOM 388 HG13 ILE M 31 -63.894 63.578 -2.809 1.00 46.27 H +ATOM 389 HG12 ILE M 31 -64.807 63.405 -4.266 1.00 46.27 H +ATOM 390 HG21 ILE M 31 -63.075 61.670 -5.973 1.00 46.06 H +ATOM 391 HG22 ILE M 31 -63.386 60.081 -5.235 1.00 46.06 H +ATOM 392 HG23 ILE M 31 -64.737 61.198 -5.547 1.00 46.06 H +ATOM 393 HD11 ILE M 31 -63.108 65.128 -4.511 1.00163.18 H +ATOM 394 HD12 ILE M 31 -61.832 63.952 -4.115 1.00163.18 H +ATOM 395 HD13 ILE M 31 -62.772 63.773 -5.615 1.00163.18 H +ATOM 396 N THR M 32 -66.707 61.505 -3.210 1.00 51.06 N +ATOM 397 CA THR M 32 -68.107 61.138 -3.469 1.00 53.71 C +ATOM 398 C THR M 32 -68.727 61.752 -4.723 1.00 56.06 C +ATOM 399 O THR M 32 -68.222 62.728 -5.289 1.00 55.71 O +ATOM 400 CB THR M 32 -69.035 61.422 -2.256 1.00 53.39 C +ATOM 401 OG1 THR M 32 -69.034 62.825 -1.965 1.00 55.31 O +ATOM 402 CG2 THR M 32 -68.591 60.627 -1.024 1.00 48.52 C +ATOM 403 H THR M 32 -66.484 62.461 -2.974 1.00 51.06 H +ATOM 404 HA THR M 32 -68.119 60.058 -3.618 1.00 53.71 H +ATOM 405 HB THR M 32 -70.050 61.122 -2.517 1.00 53.39 H +ATOM 406 HG1 THR M 32 -68.141 63.108 -1.755 1.00 55.31 H +ATOM 407 HG21 THR M 32 -69.258 60.845 -0.190 1.00 48.52 H +ATOM 408 HG22 THR M 32 -68.626 59.561 -1.247 1.00 48.52 H +ATOM 409 HG23 THR M 32 -67.572 60.909 -0.757 1.00 48.52 H +ATOM 410 N SER M 33 -69.838 61.142 -5.130 1.00 58.72 N +ATOM 411 CA SER M 33 -70.577 61.486 -6.337 1.00 61.33 C +ATOM 412 C SER M 33 -71.335 62.819 -6.242 1.00 63.26 C +ATOM 413 O SER M 33 -72.233 63.086 -7.044 1.00 63.87 O +ATOM 414 CB SER M 33 -71.546 60.344 -6.663 1.00 60.74 C +ATOM 415 OG SER M 33 -72.195 60.552 -7.901 1.00 66.10 O +ATOM 416 H SER M 33 -70.225 60.382 -4.588 1.00 58.72 H +ATOM 417 HA SER M 33 -69.863 61.564 -7.157 1.00 61.33 H +ATOM 418 HB3 SER M 33 -72.291 60.264 -5.872 1.00 60.74 H +ATOM 419 HB2 SER M 33 -70.999 59.402 -6.694 1.00 60.74 H +ATOM 420 HG SER M 33 -72.412 61.482 -7.997 1.00 66.10 H +ATOM 421 N SER M 34 -70.974 63.649 -5.267 1.00 65.61 N +ATOM 422 CA SER M 34 -71.582 64.971 -5.109 1.00 68.88 C +ATOM 423 C SER M 34 -70.537 66.085 -5.163 1.00 70.60 C +ATOM 424 O SER M 34 -69.430 65.937 -4.632 1.00 70.91 O +ATOM 425 CB SER M 34 -72.399 65.051 -3.815 1.00 69.20 C +ATOM 426 OG SER M 34 -71.644 64.614 -2.699 1.00 74.50 O +ATOM 427 H SER M 34 -70.260 63.373 -4.608 1.00 65.61 H +ATOM 428 HA SER M 34 -72.268 65.121 -5.943 1.00 68.88 H +ATOM 429 HB3 SER M 34 -73.293 64.435 -3.912 1.00 69.20 H +ATOM 430 HB2 SER M 34 -72.723 66.079 -3.654 1.00 69.20 H +ATOM 431 HG SER M 34 -70.866 65.167 -2.602 1.00 74.50 H +ATOM 432 N LYS M 35 -70.907 67.194 -5.808 1.00 72.38 N +ATOM 433 CA LYS M 35 -69.997 68.318 -6.096 1.00 73.59 C +ATOM 434 C LYS M 35 -68.719 67.892 -6.843 1.00 73.86 C +ATOM 435 O LYS M 35 -67.748 68.652 -6.919 1.00 73.78 O +ATOM 436 CB LYS M 35 -69.663 69.091 -4.824 1.00 0.00 C +ATOM 437 CG LYS M 35 -69.371 70.574 -5.074 1.00 0.00 C +ATOM 438 CD LYS M 35 -68.982 71.366 -3.819 1.00 0.00 C +ATOM 439 CE LYS M 35 -68.685 72.854 -4.050 1.00 0.00 C +ATOM 440 NZ LYS M 35 -68.317 73.566 -2.814 1.00 0.00 N +ATOM 441 H LYS M 35 -71.859 67.298 -6.129 1.00 72.38 H +ATOM 442 HA LYS M 35 -70.535 69.002 -6.752 1.00 73.59 H +ATOM 443 HB2 LYS M 35 -70.504 69.035 -4.133 1.00 0.00 H +ATOM 444 HB3 LYS M 35 -68.780 68.658 -4.355 1.00 0.00 H +ATOM 445 HG2 LYS M 35 -68.543 70.668 -5.777 1.00 0.00 H +ATOM 446 HG3 LYS M 35 -70.256 71.054 -5.490 1.00 0.00 H +ATOM 447 HD2 LYS M 35 -69.795 71.321 -3.094 1.00 0.00 H +ATOM 448 HD3 LYS M 35 -68.082 70.935 -3.381 1.00 0.00 H +ATOM 449 HE2 LYS M 35 -67.855 72.955 -4.749 1.00 0.00 H +ATOM 450 HE3 LYS M 35 -69.568 73.341 -4.462 1.00 0.00 H +ATOM 451 HZ1 LYS M 35 -67.541 73.095 -2.371 1.00 0.00 H +ATOM 452 HZ2 LYS M 35 -68.051 74.514 -3.038 1.00 0.00 H +ATOM 453 HZ3 LYS M 35 -69.107 73.579 -2.184 1.00 0.00 H +ATOM 454 N CYS M 36 -68.740 66.672 -7.388 1.00 73.86 N +ATOM 455 CA CYS M 36 -67.566 66.032 -7.989 1.00 73.08 C +ATOM 456 C CYS M 36 -67.990 64.803 -8.820 1.00 71.67 C +ATOM 457 O CYS M 36 -68.629 63.892 -8.287 1.00 71.69 O +ATOM 458 CB CYS M 36 -66.573 65.638 -6.886 1.00 73.16 C +ATOM 459 SG CYS M 36 -64.927 65.140 -7.425 1.00 73.91 S +ATOM 460 H CYS M 36 -69.598 66.139 -7.400 1.00 73.86 H +ATOM 461 HA CYS M 36 -67.082 66.749 -8.652 1.00 73.08 H +ATOM 462 HB3 CYS M 36 -67.007 64.844 -6.279 1.00 73.16 H +ATOM 463 HB2 CYS M 36 -66.485 66.458 -6.173 1.00 73.16 H +ATOM 464 N PRO M 37 -67.633 64.785 -10.126 1.00 70.19 N +ATOM 465 CA PRO M 37 -68.024 63.830 -11.182 1.00 68.02 C +ATOM 466 C PRO M 37 -68.323 62.379 -10.777 1.00 66.17 C +ATOM 467 O PRO M 37 -69.473 61.949 -10.878 1.00 66.06 O +ATOM 468 CB PRO M 37 -66.836 63.886 -12.145 1.00 67.58 C +ATOM 469 CG PRO M 37 -66.377 65.301 -12.058 1.00 70.18 C +ATOM 470 CD PRO M 37 -66.732 65.820 -10.672 1.00 70.96 C +ATOM 471 HA PRO M 37 -68.899 64.228 -11.696 1.00 68.02 H +ATOM 472 HB3 PRO M 37 -67.183 63.681 -13.158 1.00 67.58 H +ATOM 473 HB2 PRO M 37 -66.046 63.228 -11.782 1.00 67.58 H +ATOM 474 HG3 PRO M 37 -66.892 65.897 -12.811 1.00 70.18 H +ATOM 475 HG2 PRO M 37 -65.296 65.341 -12.195 1.00 70.18 H +ATOM 476 HD2 PRO M 37 -65.829 65.869 -10.063 1.00 70.96 H +ATOM 477 HD3 PRO M 37 -67.277 66.759 -10.767 1.00 70.96 H +ATOM 478 N LYS M 38 -67.315 61.633 -10.327 1.00 64.30 N +ATOM 479 CA LYS M 38 -67.512 60.221 -9.990 1.00 62.34 C +ATOM 480 C LYS M 38 -66.873 59.827 -8.661 1.00 59.91 C +ATOM 481 O LYS M 38 -65.790 60.301 -8.321 1.00 60.13 O +ATOM 482 CB LYS M 38 -66.996 59.318 -11.117 1.00 62.52 C +ATOM 483 CG LYS M 38 -67.524 57.889 -11.044 1.00 68.27 C +ATOM 484 CD LYS M 38 -67.297 57.120 -12.332 1.00143.57 C +ATOM 485 CE LYS M 38 -68.040 55.795 -12.294 1.00 98.16 C +ATOM 486 NZ LYS M 38 -67.846 55.006 -13.536 1.00 37.98 N +ATOM 487 H LYS M 38 -66.397 62.039 -10.213 1.00 64.30 H +ATOM 488 HA LYS M 38 -68.585 60.052 -9.900 1.00 62.34 H +ATOM 489 HB3 LYS M 38 -65.906 59.302 -11.098 1.00 62.52 H +ATOM 490 HB2 LYS M 38 -67.263 59.753 -12.080 1.00 62.52 H +ATOM 491 HG3 LYS M 38 -68.590 57.908 -10.816 1.00 68.27 H +ATOM 492 HG2 LYS M 38 -67.040 57.366 -10.219 1.00 68.27 H +ATOM 493 HD3 LYS M 38 -66.231 56.935 -12.461 1.00143.57 H +ATOM 494 HD2 LYS M 38 -67.653 57.712 -13.176 1.00143.57 H +ATOM 495 HE3 LYS M 38 -69.104 55.980 -12.145 1.00 98.16 H +ATOM 496 HE2 LYS M 38 -67.699 55.213 -11.438 1.00 98.16 H +ATOM 497 HZ1 LYS M 38 -66.863 54.810 -13.661 1.00 37.98 H +ATOM 498 HZ2 LYS M 38 -68.356 54.137 -13.466 1.00 37.98 H +ATOM 499 HZ3 LYS M 38 -68.187 55.533 -14.327 1.00 37.98 H +ATOM 500 N GLU M 39 -67.555 58.957 -7.917 1.00 57.70 N +ATOM 501 CA GLU M 39 -67.032 58.455 -6.649 1.00 56.58 C +ATOM 502 C GLU M 39 -65.760 57.643 -6.890 1.00 55.09 C +ATOM 503 O GLU M 39 -65.727 56.752 -7.744 1.00 56.22 O +ATOM 504 CB GLU M 39 -68.086 57.650 -5.870 1.00 56.09 C +ATOM 505 CG GLU M 39 -68.383 56.250 -6.410 1.00 64.10 C +ATOM 506 CD GLU M 39 -69.199 55.398 -5.450 1.00153.38 C +ATOM 507 OE1 GLU M 39 -68.873 55.357 -4.243 1.00 62.85 O +ATOM 508 OE2 GLU M 39 -70.174 54.765 -5.911 1.00 72.10 O +ATOM 509 H GLU M 39 -68.458 58.628 -8.226 1.00 57.70 H +ATOM 510 HA GLU M 39 -66.761 59.318 -6.040 1.00 56.58 H +ATOM 511 HB3 GLU M 39 -69.013 58.222 -5.823 1.00 56.09 H +ATOM 512 HB2 GLU M 39 -67.783 57.576 -4.826 1.00 56.09 H +ATOM 513 HG3 GLU M 39 -67.445 55.743 -6.636 1.00 64.10 H +ATOM 514 HG2 GLU M 39 -68.912 56.333 -7.359 1.00 64.10 H +ATOM 515 N ALA M 40 -64.718 57.961 -6.130 1.00 52.18 N +ATOM 516 CA ALA M 40 -63.403 57.385 -6.364 1.00 48.63 C +ATOM 517 C ALA M 40 -62.590 57.240 -5.088 1.00 45.85 C +ATOM 518 O ALA M 40 -62.816 57.944 -4.101 1.00 45.45 O +ATOM 519 CB ALA M 40 -62.636 58.229 -7.377 1.00 48.28 C +ATOM 520 H ALA M 40 -64.829 58.616 -5.370 1.00 52.18 H +ATOM 521 HA ALA M 40 -63.542 56.391 -6.790 1.00 48.63 H +ATOM 522 HB1 ALA M 40 -61.653 57.790 -7.546 1.00 48.28 H +ATOM 523 HB2 ALA M 40 -63.187 58.258 -8.317 1.00 48.28 H +ATOM 524 HB3 ALA M 40 -62.520 59.242 -6.993 1.00 48.28 H +ATOM 525 N VAL M 41 -61.643 56.312 -5.131 1.00 42.68 N +ATOM 526 CA VAL M 41 -60.617 56.198 -4.115 1.00 40.24 C +ATOM 527 C VAL M 41 -59.400 56.941 -4.654 1.00 40.01 C +ATOM 528 O VAL M 41 -59.009 56.740 -5.806 1.00 40.84 O +ATOM 529 CB VAL M 41 -60.265 54.720 -3.839 1.00 40.56 C +ATOM 530 CG1 VAL M 41 -59.257 54.603 -2.700 1.00 38.23 C +ATOM 531 CG2 VAL M 41 -61.529 53.922 -3.527 1.00 30.53 C +ATOM 532 H VAL M 41 -61.619 55.650 -5.893 1.00 42.68 H +ATOM 533 HA VAL M 41 -60.958 56.672 -3.195 1.00 40.24 H +ATOM 534 HB VAL M 41 -59.812 54.304 -4.739 1.00 40.56 H +ATOM 535 HG11 VAL M 41 -59.026 53.552 -2.525 1.00 38.23 H +ATOM 536 HG12 VAL M 41 -58.344 55.136 -2.966 1.00 38.23 H +ATOM 537 HG13 VAL M 41 -59.680 55.037 -1.794 1.00 38.23 H +ATOM 538 HG21 VAL M 41 -61.265 52.882 -3.335 1.00 30.53 H +ATOM 539 HG22 VAL M 41 -62.016 54.341 -2.647 1.00 30.53 H +ATOM 540 HG23 VAL M 41 -62.210 53.972 -4.377 1.00 30.53 H +ATOM 541 N ILE M 42 -58.806 57.795 -3.827 1.00 39.00 N +ATOM 542 CA ILE M 42 -57.564 58.469 -4.194 1.00 36.80 C +ATOM 543 C ILE M 42 -56.451 57.972 -3.282 1.00 36.62 C +ATOM 544 O ILE M 42 -56.453 58.249 -2.079 1.00 36.47 O +ATOM 545 CB ILE M 42 -57.678 60.011 -4.119 1.00 36.67 C +ATOM 546 CG1 ILE M 42 -58.874 60.507 -4.939 1.00 34.32 C +ATOM 547 CG2 ILE M 42 -56.386 60.666 -4.605 1.00 33.16 C +ATOM 548 CD1 ILE M 42 -59.178 61.988 -4.766 1.00 47.75 C +ATOM 549 H ILE M 42 -59.213 57.989 -2.923 1.00 39.00 H +ATOM 550 HA ILE M 42 -57.315 58.194 -5.219 1.00 36.80 H +ATOM 551 HB ILE M 42 -57.835 60.293 -3.078 1.00 36.67 H +ATOM 552 HG13 ILE M 42 -59.757 59.924 -4.678 1.00 34.32 H +ATOM 553 HG12 ILE M 42 -58.702 60.294 -5.994 1.00 34.32 H +ATOM 554 HG21 ILE M 42 -56.483 61.750 -4.546 1.00 33.16 H +ATOM 555 HG22 ILE M 42 -55.555 60.341 -3.978 1.00 33.16 H +ATOM 556 HG23 ILE M 42 -56.197 60.375 -5.638 1.00 33.16 H +ATOM 557 HD11 ILE M 42 -60.038 62.257 -5.380 1.00 47.75 H +ATOM 558 HD12 ILE M 42 -59.401 62.194 -3.719 1.00 47.75 H +ATOM 559 HD13 ILE M 42 -58.313 62.575 -5.075 1.00 47.75 H +ATOM 560 N PHE M 43 -55.506 57.236 -3.865 1.00 35.80 N +ATOM 561 CA PHE M 43 -54.370 56.704 -3.123 1.00 34.24 C +ATOM 562 C PHE M 43 -53.248 57.719 -3.016 1.00 34.90 C +ATOM 563 O PHE M 43 -52.858 58.326 -4.010 1.00 35.27 O +ATOM 564 CB PHE M 43 -53.837 55.433 -3.782 1.00 33.62 C +ATOM 565 CG PHE M 43 -54.712 54.233 -3.582 1.00 31.40 C +ATOM 566 CD1 PHE M 43 -55.522 53.771 -4.612 1.00 34.58 C +ATOM 567 CD2 PHE M 43 -54.727 53.563 -2.363 1.00 32.86 C +ATOM 568 CE1 PHE M 43 -56.338 52.655 -4.432 1.00 19.20 C +ATOM 569 CE2 PHE M 43 -55.538 52.448 -2.173 1.00 41.92 C +ATOM 570 CZ PHE M 43 -56.345 51.993 -3.210 1.00 43.25 C +ATOM 571 H PHE M 43 -55.563 57.031 -4.852 1.00 35.80 H +ATOM 572 HA PHE M 43 -54.704 56.454 -2.116 1.00 34.24 H +ATOM 573 HB3 PHE M 43 -52.838 55.220 -3.401 1.00 33.62 H +ATOM 574 HB2 PHE M 43 -53.702 55.608 -4.849 1.00 33.62 H +ATOM 575 HD1 PHE M 43 -55.524 54.278 -5.566 1.00 34.58 H +ATOM 576 HD2 PHE M 43 -54.104 53.907 -1.550 1.00 32.86 H +ATOM 577 HE1 PHE M 43 -56.963 52.307 -5.241 1.00 19.20 H +ATOM 578 HE2 PHE M 43 -55.540 51.938 -1.221 1.00 41.92 H +ATOM 579 HZ PHE M 43 -56.976 51.128 -3.068 1.00 43.25 H +ATOM 580 N LYS M 44 -52.737 57.896 -1.800 1.00 35.41 N +ATOM 581 CA LYS M 44 -51.511 58.647 -1.576 1.00 36.13 C +ATOM 582 C LYS M 44 -50.348 57.671 -1.719 1.00 36.43 C +ATOM 583 O LYS M 44 -50.202 56.739 -0.923 1.00 36.37 O +ATOM 584 CB LYS M 44 -51.517 59.304 -0.188 1.00 36.80 C +ATOM 585 CG LYS M 44 -50.252 60.093 0.167 1.00 34.66 C +ATOM 586 CD LYS M 44 -50.281 61.511 -0.381 1.00 59.73 C +ATOM 587 CE LYS M 44 -49.018 62.279 -0.012 1.00 76.37 C +ATOM 588 NZ LYS M 44 -48.907 62.543 1.449 1.00 53.22 N +ATOM 589 H LYS M 44 -53.203 57.503 -0.994 1.00 35.41 H +ATOM 590 HA LYS M 44 -51.423 59.422 -2.338 1.00 36.13 H +ATOM 591 HB3 LYS M 44 -51.691 58.541 0.571 1.00 36.80 H +ATOM 592 HB2 LYS M 44 -52.385 59.957 -0.102 1.00 36.80 H +ATOM 593 HG3 LYS M 44 -49.378 59.571 -0.223 1.00 34.66 H +ATOM 594 HG2 LYS M 44 -50.137 60.125 1.250 1.00 34.66 H +ATOM 595 HD3 LYS M 44 -51.152 62.034 0.013 1.00 59.73 H +ATOM 596 HD2 LYS M 44 -50.382 61.479 -1.466 1.00 59.73 H +ATOM 597 HE3 LYS M 44 -48.998 63.225 -0.553 1.00 76.37 H +ATOM 598 HE2 LYS M 44 -48.144 61.720 -0.347 1.00 76.37 H +ATOM 599 HZ1 LYS M 44 -49.201 61.725 1.963 1.00 53.22 H +ATOM 600 HZ2 LYS M 44 -47.948 62.759 1.681 1.00 53.22 H +ATOM 601 HZ3 LYS M 44 -49.497 63.325 1.696 1.00 53.22 H +ATOM 602 N THR M 45 -49.529 57.898 -2.742 1.00 36.69 N +ATOM 603 CA THR M 45 -48.408 57.019 -3.074 1.00 35.97 C +ATOM 604 C THR M 45 -47.217 57.225 -2.138 1.00 36.29 C +ATOM 605 O THR M 45 -47.082 58.276 -1.510 1.00 36.97 O +ATOM 606 CB THR M 45 -47.969 57.229 -4.543 1.00 34.36 C +ATOM 607 OG1 THR M 45 -48.999 56.758 -5.419 1.00 38.55 O +ATOM 608 CG2 THR M 45 -46.704 56.474 -4.846 1.00 34.99 C +ATOM 609 H THR M 45 -49.668 58.707 -3.330 1.00 36.69 H +ATOM 610 HA THR M 45 -48.746 55.988 -2.968 1.00 35.97 H +ATOM 611 HB THR M 45 -47.804 58.292 -4.720 1.00 34.36 H +ATOM 612 HG1 THR M 45 -49.809 57.247 -5.254 1.00 38.55 H +ATOM 613 HG21 THR M 45 -46.421 56.641 -5.885 1.00 34.99 H +ATOM 614 HG22 THR M 45 -45.906 56.824 -4.192 1.00 34.99 H +ATOM 615 HG23 THR M 45 -46.868 55.409 -4.681 1.00 34.99 H +ATOM 616 N ILE M 46 -46.361 56.209 -2.057 1.00 36.96 N +ATOM 617 CA ILE M 46 -45.097 56.286 -1.331 1.00 37.85 C +ATOM 618 C ILE M 46 -44.154 57.352 -1.931 1.00 37.80 C +ATOM 619 O ILE M 46 -43.174 57.754 -1.301 1.00 36.86 O +ATOM 620 CB ILE M 46 -44.415 54.877 -1.258 1.00 38.43 C +ATOM 621 CG1 ILE M 46 -43.647 54.696 0.056 1.00 44.08 C +ATOM 622 CG2 ILE M 46 -43.532 54.599 -2.483 1.00 35.99 C +ATOM 623 CD1 ILE M 46 -44.526 54.348 1.252 1.00141.89 C +ATOM 624 H ILE M 46 -46.573 55.332 -2.511 1.00 36.96 H +ATOM 625 HA ILE M 46 -45.326 56.591 -0.310 1.00 37.85 H +ATOM 626 HB ILE M 46 -45.214 54.135 -1.265 1.00 38.43 H +ATOM 627 HG13 ILE M 46 -43.084 55.604 0.273 1.00 44.08 H +ATOM 628 HG12 ILE M 46 -42.889 53.923 -0.072 1.00 44.08 H +ATOM 629 HG21 ILE M 46 -43.080 53.612 -2.389 1.00 35.99 H +ATOM 630 HG22 ILE M 46 -44.141 54.635 -3.386 1.00 35.99 H +ATOM 631 HG23 ILE M 46 -42.747 55.353 -2.545 1.00 35.99 H +ATOM 632 HD11 ILE M 46 -43.904 54.237 2.141 1.00141.89 H +ATOM 633 HD12 ILE M 46 -45.252 55.145 1.414 1.00141.89 H +ATOM 634 HD13 ILE M 46 -45.051 53.413 1.058 1.00141.89 H +ATOM 635 N VAL M 47 -44.469 57.796 -3.148 1.00 38.66 N +ATOM 636 CA VAL M 47 -43.694 58.808 -3.872 1.00 39.84 C +ATOM 637 C VAL M 47 -44.495 60.117 -4.013 1.00 40.59 C +ATOM 638 O VAL M 47 -44.469 60.776 -5.058 1.00 41.02 O +ATOM 639 CB VAL M 47 -43.207 58.271 -5.261 1.00 39.55 C +ATOM 640 CG1 VAL M 47 -42.337 59.295 -5.986 1.00 46.20 C +ATOM 641 CG2 VAL M 47 -42.423 56.976 -5.092 1.00 39.68 C +ATOM 642 H VAL M 47 -45.283 57.433 -3.623 1.00 38.66 H +ATOM 643 HA VAL M 47 -42.808 59.029 -3.277 1.00 39.84 H +ATOM 644 HB VAL M 47 -44.083 58.066 -5.877 1.00 39.55 H +ATOM 645 HG11 VAL M 47 -42.018 58.887 -6.945 1.00 46.20 H +ATOM 646 HG12 VAL M 47 -42.910 60.207 -6.152 1.00 46.20 H +ATOM 647 HG13 VAL M 47 -41.461 59.523 -5.379 1.00 46.20 H +ATOM 648 HG21 VAL M 47 -42.094 56.620 -6.068 1.00 39.68 H +ATOM 649 HG22 VAL M 47 -41.554 57.157 -4.460 1.00 39.68 H +ATOM 650 HG23 VAL M 47 -43.060 56.223 -4.627 1.00 39.68 H +ATOM 651 N ALA M 48 -45.205 60.479 -2.945 1.00 41.53 N +ATOM 652 CA ALA M 48 -45.919 61.766 -2.821 1.00 42.39 C +ATOM 653 C ALA M 48 -47.191 61.960 -3.668 1.00 43.38 C +ATOM 654 O ALA M 48 -48.159 62.552 -3.185 1.00 44.08 O +ATOM 655 CB ALA M 48 -44.956 62.951 -3.013 1.00 42.38 C +ATOM 656 H ALA M 48 -45.279 59.856 -2.153 1.00 41.53 H +ATOM 657 HA ALA M 48 -46.247 61.820 -1.783 1.00 42.39 H +ATOM 658 HB1 ALA M 48 -45.507 63.887 -2.917 1.00 42.38 H +ATOM 659 HB2 ALA M 48 -44.174 62.911 -2.255 1.00 42.38 H +ATOM 660 HB3 ALA M 48 -44.504 62.896 -4.003 1.00 42.38 H +ATOM 661 N LYS M 49 -47.193 61.474 -4.910 1.00 43.38 N +ATOM 662 CA LYS M 49 -48.302 61.738 -5.849 1.00 43.04 C +ATOM 663 C LYS M 49 -49.576 60.944 -5.540 1.00 42.47 C +ATOM 664 O LYS M 49 -49.533 59.932 -4.839 1.00 42.44 O +ATOM 665 CB LYS M 49 -47.862 61.519 -7.307 1.00 42.78 C +ATOM 666 CG LYS M 49 -47.572 60.067 -7.687 1.00 41.42 C +ATOM 667 CD LYS M 49 -46.875 59.978 -9.037 1.00107.41 C +ATOM 668 CE LYS M 49 -46.473 58.548 -9.358 1.00 97.80 C +ATOM 669 NZ LYS M 49 -45.579 58.472 -10.546 1.00 32.32 N +ATOM 670 H LYS M 49 -46.421 60.908 -5.232 1.00 43.38 H +ATOM 671 HA LYS M 49 -48.555 62.794 -5.750 1.00 43.04 H +ATOM 672 HB3 LYS M 49 -46.982 62.128 -7.513 1.00 42.78 H +ATOM 673 HB2 LYS M 49 -48.621 61.922 -7.977 1.00 42.78 H +ATOM 674 HG3 LYS M 49 -48.507 59.508 -7.724 1.00 41.42 H +ATOM 675 HG2 LYS M 49 -46.943 59.611 -6.923 1.00 41.42 H +ATOM 676 HD3 LYS M 49 -45.988 60.611 -9.030 1.00107.41 H +ATOM 677 HD2 LYS M 49 -47.542 60.351 -9.815 1.00107.41 H +ATOM 678 HE3 LYS M 49 -47.367 57.952 -9.539 1.00 97.80 H +ATOM 679 HE2 LYS M 49 -45.969 58.111 -8.496 1.00 97.80 H +ATOM 680 HZ1 LYS M 49 -44.787 59.084 -10.411 1.00 32.32 H +ATOM 681 HZ2 LYS M 49 -45.254 57.523 -10.664 1.00 32.32 H +ATOM 682 HZ3 LYS M 49 -46.088 58.758 -11.370 1.00 32.32 H +ATOM 683 N GLU M 50 -50.703 61.415 -6.069 1.00 40.91 N +ATOM 684 CA GLU M 50 -51.994 60.764 -5.855 1.00 40.14 C +ATOM 685 C GLU M 50 -52.590 60.145 -7.122 1.00 39.27 C +ATOM 686 O GLU M 50 -52.594 60.761 -8.190 1.00 39.08 O +ATOM 687 CB GLU M 50 -52.990 61.742 -5.235 1.00 39.90 C +ATOM 688 CG GLU M 50 -52.864 61.889 -3.731 1.00 40.76 C +ATOM 689 CD GLU M 50 -53.732 63.003 -3.184 1.00 44.34 C +ATOM 690 OE1 GLU M 50 -53.705 64.118 -3.751 1.00 54.46 O +ATOM 691 OE2 GLU M 50 -54.444 62.764 -2.185 1.00 40.01 O +ATOM 692 H GLU M 50 -50.683 62.248 -6.639 1.00 40.91 H +ATOM 693 HA GLU M 50 -51.839 59.957 -5.139 1.00 40.14 H +ATOM 694 HB3 GLU M 50 -54.005 61.431 -5.484 1.00 39.90 H +ATOM 695 HB2 GLU M 50 -52.876 62.719 -5.704 1.00 39.90 H +ATOM 696 HG3 GLU M 50 -51.823 62.080 -3.472 1.00 40.76 H +ATOM 697 HG2 GLU M 50 -53.136 60.949 -3.251 1.00 40.76 H +ATOM 698 N ILE M 51 -53.092 58.922 -6.983 1.00 37.73 N +ATOM 699 CA ILE M 51 -53.687 58.191 -8.093 1.00 37.49 C +ATOM 700 C ILE M 51 -55.183 57.988 -7.855 1.00 38.33 C +ATOM 701 O ILE M 51 -55.598 57.603 -6.756 1.00 38.66 O +ATOM 702 CB ILE M 51 -52.997 56.804 -8.296 1.00 37.30 C +ATOM 703 CG1 ILE M 51 -51.482 56.950 -8.518 1.00 32.42 C +ATOM 704 CG2 ILE M 51 -53.638 56.034 -9.441 1.00 36.90 C +ATOM 705 CD1 ILE M 51 -51.076 57.669 -9.816 1.00 21.70 C +ATOM 706 H ILE M 51 -53.069 58.466 -6.082 1.00 37.73 H +ATOM 707 HA ILE M 51 -53.558 58.778 -9.002 1.00 37.49 H +ATOM 708 HB ILE M 51 -53.144 56.225 -7.384 1.00 37.30 H +ATOM 709 HG13 ILE M 51 -51.017 55.964 -8.491 1.00 32.42 H +ATOM 710 HG12 ILE M 51 -51.041 57.468 -7.666 1.00 32.42 H +ATOM 711 HG21 ILE M 51 -53.137 55.073 -9.559 1.00 36.90 H +ATOM 712 HG22 ILE M 51 -54.693 55.869 -9.223 1.00 36.90 H +ATOM 713 HG23 ILE M 51 -53.544 56.608 -10.363 1.00 36.90 H +ATOM 714 HD11 ILE M 51 -49.989 57.721 -9.879 1.00 21.70 H +ATOM 715 HD12 ILE M 51 -51.463 57.118 -10.673 1.00 21.70 H +ATOM 716 HD13 ILE M 51 -51.488 58.678 -9.817 1.00 21.70 H +ATOM 717 N CYS M 52 -55.983 58.247 -8.888 1.00 38.00 N +ATOM 718 CA CYS M 52 -57.411 57.932 -8.864 1.00 37.80 C +ATOM 719 C CYS M 52 -57.636 56.454 -9.170 1.00 36.89 C +ATOM 720 O CYS M 52 -57.080 55.922 -10.129 1.00 35.70 O +ATOM 721 CB CYS M 52 -58.170 58.798 -9.870 1.00 37.19 C +ATOM 722 SG CYS M 52 -58.173 60.553 -9.472 1.00 45.51 S +ATOM 723 H CYS M 52 -55.608 58.674 -9.723 1.00 38.00 H +ATOM 724 HA CYS M 52 -57.796 58.142 -7.866 1.00 37.80 H +ATOM 725 HB3 CYS M 52 -59.198 58.444 -9.949 1.00 37.19 H +ATOM 726 HB2 CYS M 52 -57.746 58.654 -10.864 1.00 37.19 H +ATOM 727 N ALA M 53 -58.452 55.797 -8.352 1.00 37.59 N +ATOM 728 CA ALA M 53 -58.741 54.374 -8.532 1.00 39.26 C +ATOM 729 C ALA M 53 -60.238 54.081 -8.464 1.00 40.52 C +ATOM 730 O ALA M 53 -60.982 54.780 -7.777 1.00 40.26 O +ATOM 731 CB ALA M 53 -57.981 53.540 -7.512 1.00 38.10 C +ATOM 732 H ALA M 53 -58.891 56.280 -7.581 1.00 37.59 H +ATOM 733 HA ALA M 53 -58.391 54.087 -9.523 1.00 39.26 H +ATOM 734 HB1 ALA M 53 -58.209 52.485 -7.662 1.00 38.10 H +ATOM 735 HB2 ALA M 53 -56.910 53.701 -7.636 1.00 38.10 H +ATOM 736 HB3 ALA M 53 -58.278 53.836 -6.506 1.00 38.10 H +ATOM 737 N ASP M 54 -60.659 53.042 -9.184 1.00 42.42 N +ATOM 738 CA ASP M 54 -62.060 52.638 -9.262 1.00 44.93 C +ATOM 739 C ASP M 54 -62.479 51.842 -8.023 1.00 46.84 C +ATOM 740 O ASP M 54 -61.970 50.742 -7.798 1.00 46.50 O +ATOM 741 CB ASP M 54 -62.294 51.801 -10.525 1.00 45.53 C +ATOM 742 CG ASP M 54 -63.769 51.643 -10.873 1.00 46.84 C +ATOM 743 OD1 ASP M 54 -64.612 51.557 -9.955 1.00 67.14 O +ATOM 744 OD2 ASP M 54 -64.086 51.606 -12.079 1.00 53.00 O +ATOM 745 H ASP M 54 -59.996 52.491 -9.711 1.00 42.42 H +ATOM 746 HA ASP M 54 -62.676 53.535 -9.322 1.00 44.93 H +ATOM 747 HB3 ASP M 54 -61.845 50.816 -10.395 1.00 45.53 H +ATOM 748 HB2 ASP M 54 -61.771 52.259 -11.365 1.00 45.53 H +ATOM 749 N PRO M 55 -63.409 52.394 -7.214 1.00 48.33 N +ATOM 750 CA PRO M 55 -63.866 51.675 -6.020 1.00 49.51 C +ATOM 751 C PRO M 55 -64.584 50.358 -6.335 1.00 50.93 C +ATOM 752 O PRO M 55 -64.638 49.476 -5.482 1.00 51.27 O +ATOM 753 CB PRO M 55 -64.818 52.669 -5.343 1.00 48.90 C +ATOM 754 CG PRO M 55 -65.219 53.621 -6.408 1.00 48.47 C +ATOM 755 CD PRO M 55 -64.075 53.703 -7.361 1.00 47.92 C +ATOM 756 HA PRO M 55 -63.017 51.480 -5.365 1.00 49.51 H +ATOM 757 HB3 PRO M 55 -64.283 53.206 -4.560 1.00 48.90 H +ATOM 758 HB2 PRO M 55 -65.699 52.138 -4.982 1.00 48.90 H +ATOM 759 HG3 PRO M 55 -65.396 54.603 -5.969 1.00 48.47 H +ATOM 760 HG2 PRO M 55 -66.096 53.235 -6.927 1.00 48.47 H +ATOM 761 HD2 PRO M 55 -64.459 53.800 -8.377 1.00 47.92 H +ATOM 762 HD3 PRO M 55 -63.394 54.491 -7.040 1.00 47.92 H +ATOM 763 N LYS M 56 -65.123 50.233 -7.546 1.00 51.77 N +ATOM 764 CA LYS M 56 -65.791 49.002 -7.975 1.00 52.88 C +ATOM 765 C LYS M 56 -64.784 47.902 -8.341 1.00 54.00 C +ATOM 766 O LYS M 56 -65.141 46.722 -8.403 1.00 54.56 O +ATOM 767 CB LYS M 56 -66.733 49.279 -9.154 1.00 52.59 C +ATOM 768 CG LYS M 56 -67.752 50.400 -8.908 1.00 55.60 C +ATOM 769 CD LYS M 56 -68.685 50.614 -10.104 1.00 72.65 C +ATOM 770 CE LYS M 56 -67.975 51.241 -11.306 1.00 83.06 C +ATOM 771 NZ LYS M 56 -67.534 52.641 -11.045 1.00114.57 N +ATOM 772 H LYS M 56 -65.078 51.001 -8.200 1.00 51.77 H +ATOM 773 HA LYS M 56 -66.394 48.640 -7.142 1.00 52.88 H +ATOM 774 HB3 LYS M 56 -67.261 48.362 -9.417 1.00 52.59 H +ATOM 775 HB2 LYS M 56 -66.143 49.515 -10.040 1.00 52.59 H +ATOM 776 HG3 LYS M 56 -67.224 51.328 -8.690 1.00 55.60 H +ATOM 777 HG2 LYS M 56 -68.344 50.164 -8.024 1.00 55.60 H +ATOM 778 HD3 LYS M 56 -69.519 51.249 -9.804 1.00 72.65 H +ATOM 779 HD2 LYS M 56 -69.121 49.659 -10.398 1.00 72.65 H +ATOM 780 HE3 LYS M 56 -68.641 51.226 -12.169 1.00 83.06 H +ATOM 781 HE2 LYS M 56 -67.111 50.633 -11.574 1.00 83.06 H +ATOM 782 HZ1 LYS M 56 -66.792 52.639 -10.360 1.00114.57 H +ATOM 783 HZ2 LYS M 56 -67.198 53.054 -11.903 1.00114.57 H +ATOM 784 HZ3 LYS M 56 -68.313 53.180 -10.695 1.00114.57 H +ATOM 785 N GLN M 57 -63.535 48.300 -8.581 1.00 53.86 N +ATOM 786 CA GLN M 57 -62.463 47.385 -8.978 1.00 52.94 C +ATOM 787 C GLN M 57 -61.900 46.639 -7.766 1.00 52.94 C +ATOM 788 O GLN M 57 -61.734 47.219 -6.693 1.00 53.16 O +ATOM 789 CB GLN M 57 -61.359 48.160 -9.700 1.00 52.85 C +ATOM 790 CG GLN M 57 -60.729 47.437 -10.884 1.00 52.07 C +ATOM 791 CD GLN M 57 -60.000 48.388 -11.824 1.00134.91 C +ATOM 792 OE1 GLN M 57 -58.789 48.272 -12.028 1.00 61.45 O +ATOM 793 NE2 GLN M 57 -60.736 49.335 -12.402 1.00 44.12 N +ATOM 794 H GLN M 57 -63.290 49.276 -8.492 1.00 53.86 H +ATOM 795 HA GLN M 57 -62.877 46.652 -9.670 1.00 52.94 H +ATOM 796 HB3 GLN M 57 -60.581 48.428 -8.986 1.00 52.85 H +ATOM 797 HB2 GLN M 57 -61.751 49.121 -10.032 1.00 52.85 H +ATOM 798 HG3 GLN M 57 -61.503 46.904 -11.436 1.00 52.07 H +ATOM 799 HG2 GLN M 57 -60.032 46.683 -10.519 1.00 52.07 H +ATOM 800 HE22 GLN M 57 -60.305 49.994 -13.035 1.00 44.12 H +ATOM 801 HE21 GLN M 57 -61.725 49.395 -12.208 1.00 44.12 H +ATOM 802 N LYS M 58 -61.611 45.352 -7.955 1.00 53.27 N +ATOM 803 CA LYS M 58 -61.295 44.424 -6.860 1.00 53.55 C +ATOM 804 C LYS M 58 -60.015 44.739 -6.070 1.00 52.54 C +ATOM 805 O LYS M 58 -60.047 44.791 -4.839 1.00 51.82 O +ATOM 806 CB LYS M 58 -61.260 42.984 -7.394 1.00 54.35 C +ATOM 807 CG LYS M 58 -61.567 41.899 -6.361 1.00 59.60 C +ATOM 808 CD LYS M 58 -60.301 41.272 -5.790 1.00 61.60 C +ATOM 809 CE LYS M 58 -60.635 40.069 -4.917 1.00141.65 C +ATOM 810 NZ LYS M 58 -59.452 39.585 -4.147 1.00 56.57 N +ATOM 811 H LYS M 58 -61.602 44.968 -8.889 1.00 53.27 H +ATOM 812 HA LYS M 58 -62.123 44.478 -6.153 1.00 53.55 H +ATOM 813 HB3 LYS M 58 -60.286 42.789 -7.842 1.00 54.35 H +ATOM 814 HB2 LYS M 58 -61.954 42.893 -8.230 1.00 54.35 H +ATOM 815 HG3 LYS M 58 -62.180 41.124 -6.821 1.00 59.60 H +ATOM 816 HG2 LYS M 58 -62.157 42.327 -5.550 1.00 59.60 H +ATOM 817 HD3 LYS M 58 -59.765 42.013 -5.197 1.00 61.60 H +ATOM 818 HD2 LYS M 58 -59.651 40.958 -6.607 1.00 61.60 H +ATOM 819 HE3 LYS M 58 -61.015 39.262 -5.543 1.00141.65 H +ATOM 820 HE2 LYS M 58 -61.434 40.334 -4.225 1.00141.65 H +ATOM 821 HZ1 LYS M 58 -59.115 40.324 -3.547 1.00 56.57 H +ATOM 822 HZ2 LYS M 58 -59.718 38.790 -3.584 1.00 56.57 H +ATOM 823 HZ3 LYS M 58 -58.721 39.313 -4.788 1.00 56.57 H +ATOM 824 N TRP M 59 -58.903 44.945 -6.776 1.00 51.79 N +ATOM 825 CA TRP M 59 -57.605 45.229 -6.146 1.00 50.11 C +ATOM 826 C TRP M 59 -57.625 46.511 -5.304 1.00 49.23 C +ATOM 827 O TRP M 59 -56.828 46.662 -4.374 1.00 48.50 O +ATOM 828 CB TRP M 59 -56.503 45.321 -7.206 1.00 50.25 C +ATOM 829 CG TRP M 59 -56.633 46.532 -8.087 1.00 51.79 C +ATOM 830 CD1 TRP M 59 -57.409 46.654 -9.204 1.00 35.04 C +ATOM 831 CD2 TRP M 59 -55.967 47.791 -7.922 1.00 16.70 C +ATOM 832 NE1 TRP M 59 -57.269 47.909 -9.745 1.00 43.65 N +ATOM 833 CE2 TRP M 59 -56.390 48.627 -8.979 1.00 23.54 C +ATOM 834 CE3 TRP M 59 -55.055 48.293 -6.984 1.00 28.56 C +ATOM 835 CZ2 TRP M 59 -55.931 49.939 -9.125 1.00 28.07 C +ATOM 836 CZ3 TRP M 59 -54.599 49.598 -7.130 1.00 43.94 C +ATOM 837 CH2 TRP M 59 -55.039 50.405 -8.193 1.00 27.64 C +ATOM 838 H TRP M 59 -58.931 44.909 -7.785 1.00 51.79 H +ATOM 839 HA TRP M 59 -57.365 44.397 -5.484 1.00 50.11 H +ATOM 840 HB3 TRP M 59 -56.517 44.422 -7.822 1.00 50.25 H +ATOM 841 HB2 TRP M 59 -55.529 45.333 -6.716 1.00 50.25 H +ATOM 842 HD1 TRP M 59 -58.013 45.822 -9.535 1.00 35.04 H +ATOM 843 HE1 TRP M 59 -57.781 48.159 -10.579 1.00 43.65 H +ATOM 844 HE3 TRP M 59 -54.721 47.669 -6.168 1.00 28.56 H +ATOM 845 HZ2 TRP M 59 -56.279 50.545 -9.949 1.00 28.07 H +ATOM 846 HZ3 TRP M 59 -53.895 50.007 -6.420 1.00 43.94 H +ATOM 847 HH2 TRP M 59 -54.659 51.413 -8.266 1.00 27.64 H +ATOM 848 N VAL M 60 -58.538 47.422 -5.643 1.00 48.10 N +ATOM 849 CA VAL M 60 -58.728 48.664 -4.900 1.00 46.58 C +ATOM 850 C VAL M 60 -59.324 48.379 -3.523 1.00 47.68 C +ATOM 851 O VAL M 60 -58.876 48.952 -2.529 1.00 48.19 O +ATOM 852 CB VAL M 60 -59.618 49.663 -5.674 1.00 46.18 C +ATOM 853 CG1 VAL M 60 -59.779 50.961 -4.899 1.00 40.12 C +ATOM 854 CG2 VAL M 60 -59.029 49.940 -7.045 1.00 43.67 C +ATOM 855 H VAL M 60 -59.134 47.266 -6.444 1.00 48.10 H +ATOM 856 HA VAL M 60 -57.750 49.124 -4.756 1.00 46.58 H +ATOM 857 HB VAL M 60 -60.603 49.216 -5.806 1.00 46.18 H +ATOM 858 HG11 VAL M 60 -60.409 51.647 -5.465 1.00 40.12 H +ATOM 859 HG12 VAL M 60 -60.243 50.754 -3.935 1.00 40.12 H +ATOM 860 HG13 VAL M 60 -58.800 51.414 -4.741 1.00 40.12 H +ATOM 861 HG21 VAL M 60 -59.666 50.645 -7.579 1.00 43.67 H +ATOM 862 HG22 VAL M 60 -58.031 50.365 -6.933 1.00 43.67 H +ATOM 863 HG23 VAL M 60 -58.966 49.009 -7.609 1.00 43.67 H +ATOM 864 N GLN M 61 -60.327 47.499 -3.474 1.00 48.22 N +ATOM 865 CA GLN M 61 -60.944 47.083 -2.209 1.00 49.07 C +ATOM 866 C GLN M 61 -59.894 46.490 -1.276 1.00 50.09 C +ATOM 867 O GLN M 61 -59.777 46.905 -0.123 1.00 50.11 O +ATOM 868 CB GLN M 61 -62.060 46.049 -2.423 1.00 48.54 C +ATOM 869 CG GLN M 61 -62.801 46.122 -3.755 1.00 53.14 C +ATOM 870 CD GLN M 61 -63.939 47.126 -3.775 1.00144.84 C +ATOM 871 OE1 GLN M 61 -63.991 48.059 -2.970 1.00 35.27 O +ATOM 872 NE2 GLN M 61 -64.866 46.936 -4.709 1.00 53.04 N +ATOM 873 H GLN M 61 -60.687 47.095 -4.327 1.00 48.22 H +ATOM 874 HA GLN M 61 -61.375 47.962 -1.730 1.00 49.07 H +ATOM 875 HB3 GLN M 61 -62.779 46.123 -1.607 1.00 48.54 H +ATOM 876 HB2 GLN M 61 -61.651 45.047 -2.294 1.00 48.54 H +ATOM 877 HG3 GLN M 61 -63.186 45.134 -4.009 1.00 53.14 H +ATOM 878 HG2 GLN M 61 -62.094 46.361 -4.549 1.00 53.14 H +ATOM 879 HE22 GLN M 61 -65.651 47.568 -4.778 1.00 53.04 H +ATOM 880 HE21 GLN M 61 -64.785 46.160 -5.350 1.00 53.04 H +ATOM 881 N ASP M 62 -59.137 45.521 -1.792 1.00 51.80 N +ATOM 882 CA ASP M 62 -58.131 44.794 -1.010 1.00 54.28 C +ATOM 883 C ASP M 62 -56.962 45.667 -0.569 1.00 54.55 C +ATOM 884 O ASP M 62 -56.375 45.433 0.488 1.00 55.23 O +ATOM 885 CB ASP M 62 -57.609 43.582 -1.787 1.00 55.11 C +ATOM 886 CG ASP M 62 -58.649 42.489 -1.934 1.00 57.82 C +ATOM 887 OD1 ASP M 62 -59.059 41.899 -0.910 1.00101.64 O +ATOM 888 OD2 ASP M 62 -59.058 42.219 -3.079 1.00117.24 O +ATOM 889 H ASP M 62 -59.244 45.259 -2.762 1.00 51.80 H +ATOM 890 HA ASP M 62 -58.621 44.421 -0.110 1.00 54.28 H +ATOM 891 HB3 ASP M 62 -56.730 43.180 -1.283 1.00 55.11 H +ATOM 892 HB2 ASP M 62 -57.276 43.901 -2.775 1.00 55.11 H +ATOM 893 N SER M 63 -56.631 46.668 -1.382 1.00 54.27 N +ATOM 894 CA SER M 63 -55.616 47.647 -1.011 1.00 53.67 C +ATOM 895 C SER M 63 -56.128 48.516 0.129 1.00 53.02 C +ATOM 896 O SER M 63 -55.394 48.791 1.078 1.00 52.91 O +ATOM 897 CB SER M 63 -55.218 48.508 -2.212 1.00 53.92 C +ATOM 898 OG SER M 63 -54.591 47.724 -3.214 1.00 51.44 O +ATOM 899 H SER M 63 -57.086 46.762 -2.279 1.00 54.27 H +ATOM 900 HA SER M 63 -54.732 47.111 -0.664 1.00 53.67 H +ATOM 901 HB3 SER M 63 -54.536 49.293 -1.886 1.00 53.92 H +ATOM 902 HB2 SER M 63 -56.106 48.985 -2.627 1.00 53.92 H +ATOM 903 HG SER M 63 -55.260 47.269 -3.730 1.00 51.44 H +ATOM 904 N MET M 64 -57.387 48.942 0.025 1.00 53.05 N +ATOM 905 CA MET M 64 -58.022 49.791 1.034 1.00 53.07 C +ATOM 906 C MET M 64 -57.994 49.189 2.435 1.00 54.66 C +ATOM 907 O MET M 64 -57.525 49.833 3.373 1.00 55.69 O +ATOM 908 CB MET M 64 -59.457 50.141 0.638 1.00 52.62 C +ATOM 909 CG MET M 64 -59.563 51.285 -0.350 1.00 49.82 C +ATOM 910 SD MET M 64 -61.251 51.878 -0.558 1.00 48.73 S +ATOM 911 CE MET M 64 -61.989 50.555 -1.511 1.00 58.99 C +ATOM 912 H MET M 64 -57.944 48.680 -0.775 1.00 53.05 H +ATOM 913 HA MET M 64 -57.460 50.724 1.072 1.00 53.07 H +ATOM 914 HB3 MET M 64 -60.030 50.382 1.533 1.00 52.62 H +ATOM 915 HB2 MET M 64 -59.943 49.258 0.222 1.00 52.62 H +ATOM 916 HG3 MET M 64 -59.169 50.967 -1.315 1.00 49.82 H +ATOM 917 HG2 MET M 64 -58.928 52.108 -0.021 1.00 49.82 H +ATOM 918 HE1 MET M 64 -63.034 50.790 -1.712 1.00 58.99 H +ATOM 919 HE2 MET M 64 -61.454 50.444 -2.454 1.00 58.99 H +ATOM 920 HE3 MET M 64 -61.928 49.624 -0.948 1.00 58.99 H +ATOM 921 N ASP M 65 -58.489 47.961 2.582 1.00 55.79 N +ATOM 922 CA ASP M 65 -58.508 47.320 3.902 1.00 57.41 C +ATOM 923 C ASP M 65 -57.166 46.724 4.347 1.00 57.92 C +ATOM 924 O ASP M 65 -56.992 46.423 5.531 1.00 59.11 O +ATOM 925 CB ASP M 65 -59.675 46.325 4.076 1.00 57.70 C +ATOM 926 CG ASP M 65 -60.129 45.702 2.773 1.00 59.17 C +ATOM 927 OD1 ASP M 65 -59.334 44.967 2.151 1.00 92.11 O +ATOM 928 OD2 ASP M 65 -61.286 45.951 2.371 1.00 70.57 O +ATOM 929 H ASP M 65 -58.855 47.465 1.782 1.00 55.79 H +ATOM 930 HA ASP M 65 -58.711 48.125 4.608 1.00 57.41 H +ATOM 931 HB3 ASP M 65 -60.517 46.833 4.547 1.00 57.70 H +ATOM 932 HB2 ASP M 65 -59.379 45.538 4.770 1.00 57.70 H +ATOM 933 N HIS M 66 -56.225 46.552 3.418 1.00 57.65 N +ATOM 934 CA HIS M 66 -54.848 46.247 3.813 1.00 57.37 C +ATOM 935 C HIS M 66 -54.267 47.476 4.505 1.00 57.91 C +ATOM 936 O HIS M 66 -53.611 47.366 5.546 1.00 58.57 O +ATOM 937 CB HIS M 66 -53.964 45.844 2.627 1.00 56.69 C +ATOM 938 CG HIS M 66 -52.511 45.723 2.980 1.00 56.68 C +ATOM 939 ND1 HIS M 66 -51.631 46.782 2.891 1.00 64.84 N +ATOM 940 CD2 HIS M 66 -51.786 44.670 3.424 1.00 64.20 C +ATOM 941 CE1 HIS M 66 -50.427 46.385 3.264 1.00 56.01 C +ATOM 942 NE2 HIS M 66 -50.494 45.108 3.593 1.00 66.08 N +ATOM 943 H HIS M 66 -56.461 46.632 2.439 1.00 57.65 H +ATOM 944 HA HIS M 66 -54.867 45.424 4.527 1.00 57.37 H +ATOM 945 HB3 HIS M 66 -54.082 46.572 1.824 1.00 56.69 H +ATOM 946 HB2 HIS M 66 -54.317 44.897 2.218 1.00 56.69 H +ATOM 947 HD1 HIS M 66 -51.957 47.685 2.577 1.00 64.84 H +ATOM 948 HD2 HIS M 66 -52.262 43.712 3.576 1.00 64.20 H +ATOM 949 HE1 HIS M 66 -49.603 47.083 3.258 1.00 56.01 H +ATOM 950 N LEU M 67 -54.517 48.642 3.910 1.00 57.60 N +ATOM 951 CA LEU M 67 -54.058 49.921 4.445 1.00 57.03 C +ATOM 952 C LEU M 67 -54.656 50.238 5.815 1.00 57.15 C +ATOM 953 O LEU M 67 -53.992 50.845 6.658 1.00 56.92 O +ATOM 954 CB LEU M 67 -54.364 51.051 3.458 1.00 56.62 C +ATOM 955 CG LEU M 67 -53.433 51.173 2.251 1.00 51.96 C +ATOM 956 CD1 LEU M 67 -54.071 52.026 1.170 1.00 79.88 C +ATOM 957 CD2 LEU M 67 -52.077 51.734 2.659 1.00 19.82 C +ATOM 958 H LEU M 67 -55.046 48.667 3.050 1.00 57.60 H +ATOM 959 HA LEU M 67 -52.976 49.864 4.560 1.00 57.03 H +ATOM 960 HB3 LEU M 67 -54.384 52.000 3.994 1.00 56.62 H +ATOM 961 HB2 LEU M 67 -55.392 50.955 3.110 1.00 56.62 H +ATOM 962 HG LEU M 67 -53.276 50.174 1.844 1.00 51.96 H +ATOM 963 HD11 LEU M 67 -53.394 52.101 0.319 1.00 79.88 H +ATOM 964 HD12 LEU M 67 -55.007 51.568 0.850 1.00 79.88 H +ATOM 965 HD13 LEU M 67 -54.271 53.022 1.564 1.00 79.88 H +ATOM 966 HD21 LEU M 67 -51.436 51.810 1.781 1.00 19.82 H +ATOM 967 HD22 LEU M 67 -52.210 52.723 3.098 1.00 19.82 H +ATOM 968 HD23 LEU M 67 -51.614 51.071 3.390 1.00 19.82 H +ATOM 969 N ASP M 68 -55.905 49.824 6.025 1.00 57.15 N +ATOM 970 CA ASP M 68 -56.591 50.003 7.304 1.00 57.32 C +ATOM 971 C ASP M 68 -55.897 49.256 8.447 1.00 58.05 C +ATOM 972 O ASP M 68 -55.570 49.858 9.474 1.00 58.51 O +ATOM 973 CB ASP M 68 -58.058 49.566 7.195 1.00 56.73 C +ATOM 974 CG ASP M 68 -58.874 50.460 6.274 1.00 56.00 C +ATOM 975 OD1 ASP M 68 -58.578 51.672 6.182 1.00 45.76 O +ATOM 976 OD2 ASP M 68 -59.819 49.946 5.638 1.00 48.94 O +ATOM 977 H ASP M 68 -56.416 49.366 5.284 1.00 57.15 H +ATOM 978 HA ASP M 68 -56.577 51.066 7.544 1.00 57.32 H +ATOM 979 HB3 ASP M 68 -58.509 49.561 8.187 1.00 56.73 H +ATOM 980 HB2 ASP M 68 -58.104 48.538 6.836 1.00 56.73 H +ATOM 981 N LYS M 69 -55.677 47.953 8.259 1.00 57.86 N +ATOM 982 CA LYS M 69 -55.074 47.083 9.277 1.00 57.44 C +ATOM 983 C LYS M 69 -53.713 47.574 9.775 1.00 56.95 C +ATOM 984 O LYS M 69 -53.003 48.298 9.076 1.00 56.62 O +ATOM 985 CB LYS M 69 -54.963 45.653 8.756 1.00 0.00 C +ATOM 986 CG LYS M 69 -54.478 44.658 9.814 1.00 0.00 C +ATOM 987 CD LYS M 69 -54.494 43.192 9.363 1.00 0.00 C +ATOM 988 CE LYS M 69 -53.403 42.805 8.356 1.00 0.00 C +ATOM 989 NZ LYS M 69 -52.056 42.766 8.952 1.00 0.00 N +ATOM 990 H LYS M 69 -55.929 47.520 7.382 1.00 57.86 H +ATOM 991 HA LYS M 69 -55.748 47.067 10.133 1.00 57.44 H +ATOM 992 HXT LYS M 69 -53.378 47.275 10.757 1.00 56.95 H +ATOM 993 HB2 LYS M 69 -55.940 45.315 8.411 1.00 0.00 H +ATOM 994 HB3 LYS M 69 -54.256 45.622 7.927 1.00 0.00 H +ATOM 995 HG2 LYS M 69 -53.450 44.893 10.090 1.00 0.00 H +ATOM 996 HG3 LYS M 69 -55.115 44.725 10.696 1.00 0.00 H +ATOM 997 HD2 LYS M 69 -54.361 42.543 10.228 1.00 0.00 H +ATOM 998 HD3 LYS M 69 -55.449 42.969 8.886 1.00 0.00 H +ATOM 999 HE2 LYS M 69 -53.614 41.814 7.953 1.00 0.00 H +ATOM 1000 HE3 LYS M 69 -53.384 43.530 7.543 1.00 0.00 H +ATOM 1001 HZ1 LYS M 69 -51.760 43.706 9.176 1.00 0.00 H +ATOM 1002 HZ2 LYS M 69 -52.076 42.210 9.794 1.00 0.00 H +ATOM 1003 HZ3 LYS M 69 -51.408 42.358 8.294 1.00 0.00 H +TER 1004 LYS M 69 +END diff --git a/test/PDB/BondsRestoring/ALA_3.mae b/test/PDB/BondsRestoring/ALA_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ALA_3.mae @@ -0,0 +1,306 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + ::: + Structure + Structure + 0 + 272 + ligprep_2 + 25.4914207458496 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 254 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + m_depend[17] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 10 s_st_Chirality_1 + 4 10 r_epik_Ionization_Penalty + 5 10 r_epik_Ionization_Penalty_Charging + 6 10 r_epik_Ionization_Penalty_Neutral + 7 10 r_epik_State_Penalty + 8 10 i_epik_Tot_Q + 9 10 s_st_Chirality_2 + 10 10 s_st_Chirality_3 + 11 20 b_mmod_Minimization_Converged-OPLS-2005 + 12 20 r_mmod_RMS_Derivative-OPLS-2005 + 13 20 i_mmod_Times_Found-OPLS-2005 + 14 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 15 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 16 20 i_mmod_Conformation-OPLS-2005 + 17 10 i_mmod_Serial_Number-OPLS-2005 + ::: + } + m_atom[33] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 A A 75 -0.50000 -0.50000 "ALA " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 3 17.248524 -5.500628 1.114095 702 A A 10 -0.18000 -0.18000 "ALA " " CB " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.67 -16.454 0.566 -2.916 0 -2.086 0 0 14.912 0 0.145 4.195 -0.18 1.975 1.75 -0.18 1.496 0 7 3 7 19 1 3 2 -1 <> <> + 3 32 17.252295 -5.273120 3.576736 702 A A 43 -0.30000 -0.30000 "ALA " " N " " " 7 1 3 1 5757FF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 3 -1 <> <> + 4 3 16.468061 -5.032000 2.351712 702 A A 10 0.25000 0.25000 "ALA " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 4 -1 <> <> + 5 2 15.106278 -5.729636 2.433057 702 A A 10 0.50000 0.50000 "ALA " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 5 -1 <> <> + 6 25 14.093802 -5.132405 1.779119 703 A A 38 -0.50000 -0.50000 "ALA " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 6 -1 <> <> + 7 3 12.691092 -5.556884 1.686621 703 A A 10 0.14000 0.14000 "ALA " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 7 -1 <> <> + 8 2 11.838035 -5.066554 2.867123 703 A A 10 0.50000 0.50000 "ALA " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 8 -1 <> <> + 9 15 12.356370 -4.855328 3.963740 703 A A 75 -0.50000 -0.50000 "ALA " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 9 -1 -1.677 0.746 + 10 3 12.515299 -7.054765 1.364177 703 A A 10 -0.18000 -0.18000 "ALA " " CB " " g1" 6 0 3 1 1EE11E "C16" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 16 3 16 <> <> <> 10 -1 <> <> + 11 25 10.529949 -4.890188 2.610446 704 A A 38 -0.50000 -0.50000 "ALA " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 11 -1 <> <> + 12 3 9.475121 -4.435355 3.520735 704 A A 10 0.04000 0.04000 "ALA " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 12 -1 <> <> + 13 2 9.393844 -2.904178 3.567672 704 A A 10 0.70000 0.70000 "ALA " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 13 -1 <> <> + 14 15 8.706856 -2.346088 2.683930 704 A A 75 -0.80000 -0.80000 "ALA " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 14 -1 <> <> + 15 3 9.479252 -5.139179 4.894444 704 A A 10 -0.18000 -0.18000 "ALA " " CB " " g1" 6 0 3 1 1EE11E "C26" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 26 3 26 <> <> <> 15 -1 <> <> + 16 18 10.030686 -2.315400 4.468878 704 X A 70 -0.80000 -0.80000 "ALA " "OXT " " n2" 8 -1 3 1 FF2F2F "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 16 -1 3.647 0.775 + 17 41 16.692080 -5.303613 0.196715 702 A A 21 0.06000 0.06000 "ALA " " HB1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 17 -1 <> <> + 18 41 18.203449 -4.980567 1.031668 702 A A 21 0.06000 0.06000 "ALA " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 18 -1 <> <> + 19 41 17.455921 -6.571126 1.151605 702 A A 21 0.06000 0.06000 "ALA " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 19 -1 <> <> + 20 44 16.736538 -4.927325 4.373555 702 A A 21 0.33000 0.33000 "ALA " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 20 -1 7.641 0.791 + 21 44 17.394087 -6.267655 3.683649 702 A A 21 0.33000 0.33000 "ALA " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 21 -1 7.641 0.791 + 22 41 16.304340 -3.955510 2.281420 702 A A 21 0.06000 0.06000 "ALA " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 22 -1 <> <> + 23 43 14.311194 -4.272661 1.296478 703 A A 21 0.30000 0.30000 "ALA " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 23 -1 10.426 0.746 + 24 41 12.319997 -5.017059 0.814122 703 A A 21 0.06000 0.06000 "ALA " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 24 -1 <> <> + 25 41 11.480911 -7.275798 1.099127 703 A A 21 0.06000 0.06000 "ALA " " HB1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 25 -1 <> <> + 26 41 13.137289 -7.352938 0.519739 703 A A 21 0.06000 0.06000 "ALA " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 26 -1 <> <> + 27 41 12.768546 -7.690979 2.212181 703 A A 21 0.06000 0.06000 "ALA " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 27 -1 <> <> + 28 43 10.225854 -5.076323 1.666369 704 A A 21 0.30000 0.30000 "ALA " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 28 -1 12.322 0.746 + 29 41 8.551949 -4.757203 3.036779 704 A A 21 0.06000 0.06000 "ALA " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 29 -1 <> <> + 30 41 8.580047 -4.887228 5.457279 704 A A 21 0.06000 0.06000 "ALA " " HB1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 30 -1 <> <> + 31 41 9.501137 -6.223250 4.781251 704 A A 21 0.06000 0.06000 "ALA " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 31 -1 <> <> + 32 41 10.330791 -4.847720 5.508967 704 A A 21 0.06000 0.06000 "ALA " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 32 -1 <> <> + 33 44 18.143618 -4.802897 3.515682 702 A A 21 0.33000 0.33000 "ALA " " H3 " " " 1 0 0 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> <> <> 7.641 0.791 + ::: + } + m_bond[32] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 5 2 3 3 + 2 2 4 1 3 3 + 3 2 17 1 3 3 + 4 2 18 1 3 3 + 5 2 19 1 3 3 + 6 3 4 1 3 3 + 7 3 20 1 3 3 + 8 3 21 1 3 3 + 9 3 33 1 1 1 + 10 4 5 1 3 3 + 11 4 22 1 3 3 + 12 5 6 1 3 3 + 13 6 7 1 3 3 + 14 6 23 1 3 3 + 15 7 8 1 3 3 + 16 7 10 1 3 3 + 17 7 24 1 3 3 + 18 8 9 2 3 3 + 19 8 11 1 3 3 + 20 10 25 1 3 3 + 21 10 26 1 3 3 + 22 10 27 1 3 3 + 23 11 12 1 3 3 + 24 11 28 1 3 3 + 25 12 13 1 3 3 + 26 12 15 1 3 3 + 27 12 29 1 3 3 + 28 13 14 2 3 3 + 29 13 16 1 3 3 + 30 15 30 1 3 3 + 31 15 31 1 3 3 + 32 15 32 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/ALA_3.pdb b/test/PDB/BondsRestoring/ALA_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ALA_3.pdb @@ -0,0 +1,59 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N ALA A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA ALA A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C ALA A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O ALA A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB ALA A 702 17.249 -5.501 1.114 1.00 38.67 C +ATOM 6 HB1 ALA A 702 16.692 -5.304 0.197 1.00 0.00 H +ATOM 7 HB2 ALA A 702 18.203 -4.981 1.032 1.00 0.00 H +ATOM 8 HB3 ALA A 702 17.456 -6.571 1.152 1.00 0.00 H +ATOM 9 H1 ALA A 702 16.737 -4.927 4.374 1.00 0.00 H +ATOM 10 H2 ALA A 702 17.394 -6.268 3.684 1.00 0.00 H +ATOM 11 HA ALA A 702 16.304 -3.956 2.281 1.00 0.00 H +ATOM 12 H3 ALA A 702 18.144 -4.803 3.516 1.00 0.00 H +ATOM 13 N ALA A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 14 CA ALA A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 15 C ALA A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 16 O ALA A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 17 CB ALA A 703 12.515 -7.055 1.364 1.00 0.00 C +ATOM 18 H ALA A 703 14.311 -4.273 1.296 1.00 0.00 H +ATOM 19 HA ALA A 703 12.320 -5.017 0.814 1.00 0.00 H +ATOM 20 HB1 ALA A 703 11.481 -7.276 1.099 1.00 0.00 H +ATOM 21 HB2 ALA A 703 13.137 -7.353 0.520 1.00 0.00 H +ATOM 22 HB3 ALA A 703 12.769 -7.691 2.212 1.00 0.00 H +ATOM 23 N ALA A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 24 CA ALA A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 25 C ALA A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 26 O ALA A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 27 CB ALA A 704 9.479 -5.139 4.894 1.00 0.00 C +ATOM 28 OXT ALA A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 29 H ALA A 704 10.226 -5.076 1.666 1.00 0.00 H +ATOM 30 HA ALA A 704 8.552 -4.757 3.037 1.00 0.00 H +ATOM 31 HB1 ALA A 704 8.580 -4.887 5.457 1.00 0.00 H +ATOM 32 HB2 ALA A 704 9.501 -6.223 4.781 1.00 0.00 H +ATOM 33 HB3 ALA A 704 10.331 -4.848 5.509 1.00 0.00 H +CONECT 25 28 +CONECT 28 25 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/ARG_3.mae b/test/PDB/BondsRestoring/ARG_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ARG_3.mae @@ -0,0 +1,411 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + ARG3 + Structure + 0 + 314 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[75] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 R A 75 -0.50000 -0.50000 "ARG " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 R A 38 -0.30000 -0.30000 "ARG " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 R A 10 0.25000 0.25000 "ARG " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 R A 10 0.50000 0.50000 "ARG " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 R A 38 -0.50000 -0.50000 "ARG " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 R A 10 0.14000 0.14000 "ARG " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 R A 10 0.50000 0.50000 "ARG " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 R A 75 -0.50000 -0.50000 "ARG " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 R A 38 -0.50000 -0.50000 "ARG " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 R A 10 0.04000 0.04000 "ARG " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 R A 10 0.70000 0.70000 "ARG " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 R A 75 -0.80000 -0.80000 "ARG " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "ARG " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 R A 21 0.00000 0.00000 "ARG " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 R A 21 0.00000 0.00000 "ARG " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 R A 21 0.00000 0.00000 "ARG " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 R A 21 0.00000 0.00000 "ARG " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 R A 21 0.00000 0.00000 "ARG " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 R A 21 0.00000 0.00000 "ARG " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 R A 21 0.00000 0.00000 "ARG " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 R A 21 0.00000 0.00000 "ARG " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 R A 2 0.00000 0.00000 "ARG " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 3 17.397051 -4.547987 -0.087131 702 R A 2 0.00000 0.00000 "ARG " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 3 18.599439 -3.605164 -0.139517 702 R A 2 0.00000 0.00000 "ARG " " CD " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 25 19.752509 -4.210628 -0.813255 702 R A 43 0.00000 0.00000 "ARG " " NE " " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 2 20.692375 -4.954652 -0.202030 702 R A 2 0.00000 0.00000 "ARG " " CZ " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 25 20.650239 -5.142985 1.134841 702 R A 43 0.00000 0.00000 "ARG " " NH1" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 31 21.673445 -5.493062 -0.953799 702 R A 43 0.00000 0.00000 "ARG " " NH2" " " 7 1 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 18.268112 -5.735544 1.407208 702 R A 21 0.00000 0.00000 "ARG " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 16.766766 -6.385140 0.706406 702 R A 21 0.00000 0.00000 "ARG " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 17.469226 -5.134381 -1.003117 702 R A 21 0.00000 0.00000 "ARG " " HG2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 16.530420 -3.889449 -0.145256 702 R A 21 0.00000 0.00000 "ARG " " HG3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 41 18.328550 -2.699877 -0.682816 702 R A 21 0.00000 0.00000 "ARG " " HD2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 18.900822 -3.343159 0.874693 702 R A 21 0.00000 0.00000 "ARG " " HD3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 43 19.813501 -4.035992 -1.806171 702 R A 21 0.00000 0.00000 "ARG " " HE " " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 43 21.358258 -5.702383 1.588586 702 R A 21 0.00000 0.00000 "ARG " "HH12" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 43 19.910716 -4.724412 1.680734 702 R A 21 0.00000 0.00000 "ARG " "HH11" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 44 22.391227 -6.055660 -0.519780 702 R A 21 0.00000 0.00000 "ARG " "HH22" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 44 21.690650 -5.333823 -1.951019 702 R A 21 0.00000 0.00000 "ARG " "HH21" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 3 12.517151 -7.038987 1.367573 703 R A 2 0.00000 0.00000 "ARG " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 3 12.523493 -7.508250 -0.104838 703 R A 2 0.00000 0.00000 "ARG " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 3 13.852412 -7.901491 -0.750387 703 R A 2 0.00000 0.00000 "ARG " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 25 14.154636 -9.325998 -0.578568 703 R A 43 0.00000 0.00000 "ARG " " NE " " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 2 14.810089 -9.847868 0.474307 703 R A 2 0.00000 0.00000 "ARG " " CZ " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 25 15.295027 -9.041728 1.443555 703 R A 43 0.00000 0.00000 "ARG " " NH1" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 31 14.976008 -11.184694 0.528218 703 R A 43 0.00000 0.00000 "ARG " " NH2" " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 41 13.321876 -7.608218 1.832862 703 R A 21 0.00000 0.00000 "ARG " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 41 11.558151 -7.384222 1.753877 703 R A 21 0.00000 0.00000 "ARG " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 41 11.897034 -8.394370 -0.207010 703 R A 21 0.00000 0.00000 "ARG " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 12.134670 -6.713645 -0.741641 703 R A 21 0.00000 0.00000 "ARG " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 41 13.813909 -7.691495 -1.819274 703 R A 21 0.00000 0.00000 "ARG " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 41 14.660951 -7.328163 -0.296891 703 R A 21 0.00000 0.00000 "ARG " " HD3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 43 13.833119 -9.928700 -1.322530 703 R A 21 0.00000 0.00000 "ARG " " HE " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 43 15.786265 -9.438708 2.231712 703 R A 21 0.00000 0.00000 "ARG " "HH12" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 55 43 15.166399 -8.041962 1.380148 703 R A 21 0.00000 0.00000 "ARG " "HH11" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 56 44 15.464358 -11.601932 1.307658 703 R A 21 0.00000 0.00000 "ARG " "HH22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 57 44 14.611958 -11.768965 -0.210833 703 R A 21 0.00000 0.00000 "ARG " "HH21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 58 3 9.479205 -5.131189 4.878849 704 R A 2 0.00000 0.00000 "ARG " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 59 3 8.206955 -5.860725 5.366086 704 R A 2 0.00000 0.00000 "ARG " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 60 3 8.023058 -7.338513 5.020080 704 R A 2 0.00000 0.00000 "ARG " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 61 25 8.593441 -8.224105 6.040114 704 R A 43 0.00000 0.00000 "ARG " " NE " " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 62 2 9.868270 -8.654372 6.054058 704 R A 2 0.00000 0.00000 "ARG " " CZ " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 63 25 10.710975 -8.322763 5.051884 704 R A 43 0.00000 0.00000 "ARG " " NH1" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 64 31 10.273389 -9.426854 7.082013 704 R A 43 0.00000 0.00000 "ARG " " NH2" " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 65 41 10.250062 -5.901735 4.890567 704 R A 21 0.00000 0.00000 "ARG " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 66 41 9.684507 -4.400671 5.661342 704 R A 21 0.00000 0.00000 "ARG " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 67 41 8.162645 -5.827167 6.454667 704 R A 21 0.00000 0.00000 "ARG " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 68 41 7.325598 -5.371133 4.951829 704 R A 21 0.00000 0.00000 "ARG " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 69 41 6.959752 -7.562755 4.935252 704 R A 21 0.00000 0.00000 "ARG " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 70 41 8.516121 -7.554368 4.072243 704 R A 21 0.00000 0.00000 "ARG " " HD3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 71 43 7.955463 -8.511490 6.768465 704 R A 21 0.00000 0.00000 "ARG " " HE " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 72 43 11.666907 -8.648426 5.067309 704 R A 21 0.00000 0.00000 "ARG " "HH12" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 73 43 10.385172 -7.749142 4.287090 704 R A 21 0.00000 0.00000 "ARG " "HH11" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 74 44 11.225155 -9.763078 7.116563 704 R A 21 0.00000 0.00000 "ARG " "HH22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 75 44 9.625124 -9.669348 7.817573 704 R A 21 0.00000 0.00000 "ARG " "HH21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[74] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 40 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 58 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 29 1 3 3 + 26 22 30 1 3 3 + 27 23 24 1 3 3 + 28 23 31 1 3 3 + 29 23 32 1 3 3 + 30 24 25 1 3 3 + 31 24 33 1 3 3 + 32 24 34 1 3 3 + 33 25 26 1 3 3 + 34 25 35 1 3 3 + 35 26 27 1 3 3 + 36 26 28 2 3 3 + 37 27 36 1 3 3 + 38 27 37 1 3 3 + 39 28 38 1 3 3 + 40 28 39 1 3 3 + 41 40 41 1 3 3 + 42 40 47 1 3 3 + 43 40 48 1 3 3 + 44 41 42 1 3 3 + 45 41 49 1 3 3 + 46 41 50 1 3 3 + 47 42 43 1 3 3 + 48 42 51 1 3 3 + 49 42 52 1 3 3 + 50 43 44 1 3 3 + 51 43 53 1 3 3 + 52 44 45 1 3 3 + 53 44 46 2 3 3 + 54 45 54 1 3 3 + 55 45 55 1 3 3 + 56 46 56 1 3 3 + 57 46 57 1 3 3 + 58 58 59 1 3 3 + 59 58 65 1 3 3 + 60 58 66 1 3 3 + 61 59 60 1 3 3 + 62 59 67 1 3 3 + 63 59 68 1 3 3 + 64 60 61 1 3 3 + 65 60 69 1 3 3 + 66 60 70 1 3 3 + 67 61 62 1 3 3 + 68 61 71 1 3 3 + 69 62 63 1 3 3 + 70 62 64 2 3 3 + 71 63 72 1 3 3 + 72 63 73 1 3 3 + 73 64 74 1 3 3 + 74 64 75 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/ARG_3.pdb b/test/PDB/BondsRestoring/ARG_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ARG_3.pdb @@ -0,0 +1,101 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N ARG A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA ARG A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C ARG A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O ARG A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB ARG A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG ARG A 702 17.397 -4.548 -0.087 1.00 0.00 C +ATOM 7 CD ARG A 702 18.599 -3.605 -0.140 1.00 0.00 C +ATOM 8 NE ARG A 702 19.753 -4.211 -0.813 1.00 0.00 N +ATOM 9 CZ ARG A 702 20.692 -4.955 -0.202 1.00 0.00 C +ATOM 10 NH1 ARG A 702 20.650 -5.143 1.135 1.00 0.00 N +ATOM 11 NH2 ARG A 702 21.673 -5.493 -0.954 1.00 0.00 N1+ +ATOM 12 H1 ARG A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 13 H2 ARG A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 14 H3 ARG A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 15 HA ARG A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 16 HB2 ARG A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 17 HB3 ARG A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 18 HG2 ARG A 702 17.469 -5.134 -1.003 1.00 0.00 H +ATOM 19 HG3 ARG A 702 16.530 -3.889 -0.145 1.00 0.00 H +ATOM 20 HD2 ARG A 702 18.329 -2.700 -0.683 1.00 0.00 H +ATOM 21 HD3 ARG A 702 18.901 -3.343 0.875 1.00 0.00 H +ATOM 22 HE ARG A 702 19.814 -4.036 -1.806 1.00 0.00 H +ATOM 23 HH12 ARG A 702 21.358 -5.702 1.589 1.00 0.00 H +ATOM 24 HH11 ARG A 702 19.911 -4.724 1.681 1.00 0.00 H +ATOM 25 HH22 ARG A 702 22.391 -6.056 -0.520 1.00 0.00 H +ATOM 26 HH21 ARG A 702 21.691 -5.334 -1.951 1.00 0.00 H +ATOM 27 N ARG A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 28 CA ARG A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 29 C ARG A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 30 O ARG A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 31 CB ARG A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 32 CG ARG A 703 12.523 -7.508 -0.105 1.00 0.00 C +ATOM 33 CD ARG A 703 13.852 -7.901 -0.750 1.00 0.00 C +ATOM 34 NE ARG A 703 14.155 -9.326 -0.579 1.00 0.00 N +ATOM 35 CZ ARG A 703 14.810 -9.848 0.474 1.00 0.00 C +ATOM 36 NH1 ARG A 703 15.295 -9.042 1.444 1.00 0.00 N +ATOM 37 NH2 ARG A 703 14.976 -11.185 0.528 1.00 0.00 N1+ +ATOM 38 H ARG A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 39 HA ARG A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 40 HB2 ARG A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 41 HB3 ARG A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 42 HG2 ARG A 703 11.897 -8.394 -0.207 1.00 0.00 H +ATOM 43 HG3 ARG A 703 12.135 -6.714 -0.742 1.00 0.00 H +ATOM 44 HD2 ARG A 703 13.814 -7.691 -1.819 1.00 0.00 H +ATOM 45 HD3 ARG A 703 14.661 -7.328 -0.297 1.00 0.00 H +ATOM 46 HE ARG A 703 13.833 -9.929 -1.323 1.00 0.00 H +ATOM 47 HH12 ARG A 703 15.786 -9.439 2.232 1.00 0.00 H +ATOM 48 HH11 ARG A 703 15.166 -8.042 1.380 1.00 0.00 H +ATOM 49 HH22 ARG A 703 15.464 -11.602 1.308 1.00 0.00 H +ATOM 50 HH21 ARG A 703 14.612 -11.769 -0.211 1.00 0.00 H +ATOM 51 N ARG A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 52 CA ARG A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 53 C ARG A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 54 O ARG A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 55 OXT ARG A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 56 CB ARG A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 57 CG ARG A 704 8.207 -5.861 5.366 1.00 0.00 C +ATOM 58 CD ARG A 704 8.023 -7.339 5.020 1.00 0.00 C +ATOM 59 NE ARG A 704 8.593 -8.224 6.040 1.00 0.00 N +ATOM 60 CZ ARG A 704 9.868 -8.654 6.054 1.00 0.00 C +ATOM 61 NH1 ARG A 704 10.711 -8.323 5.052 1.00 0.00 N +ATOM 62 NH2 ARG A 704 10.273 -9.427 7.082 1.00 0.00 N1+ +ATOM 63 H ARG A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 64 HA ARG A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 65 HB2 ARG A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 66 HB3 ARG A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 67 HG2 ARG A 704 8.163 -5.827 6.455 1.00 0.00 H +ATOM 68 HG3 ARG A 704 7.326 -5.371 4.952 1.00 0.00 H +ATOM 69 HD2 ARG A 704 6.960 -7.563 4.935 1.00 0.00 H +ATOM 70 HD3 ARG A 704 8.516 -7.554 4.072 1.00 0.00 H +ATOM 71 HE ARG A 704 7.955 -8.511 6.768 1.00 0.00 H +ATOM 72 HH12 ARG A 704 11.667 -8.648 5.067 1.00 0.00 H +ATOM 73 HH11 ARG A 704 10.385 -7.749 4.287 1.00 0.00 H +ATOM 74 HH22 ARG A 704 11.225 -9.763 7.117 1.00 0.00 H +ATOM 75 HH21 ARG A 704 9.625 -9.669 7.818 1.00 0.00 H +CONECT 53 55 +CONECT 55 53 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/ASN_3.mae b/test/PDB/BondsRestoring/ASN_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ASN_3.mae @@ -0,0 +1,351 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + ASN3 + Structure + 0 + 326 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[45] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 N A 75 -0.50000 -0.50000 "ASN " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 N A 38 -0.30000 -0.30000 "ASN " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 N A 10 0.25000 0.25000 "ASN " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 N A 10 0.50000 0.50000 "ASN " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 N A 38 -0.50000 -0.50000 "ASN " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 N A 10 0.14000 0.14000 "ASN " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 N A 10 0.50000 0.50000 "ASN " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 N A 75 -0.50000 -0.50000 "ASN " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 N A 38 -0.50000 -0.50000 "ASN " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 N A 10 0.04000 0.04000 "ASN " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 N A 10 0.70000 0.70000 "ASN " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 N A 75 -0.80000 -0.80000 "ASN " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "ASN " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 N A 21 0.00000 0.00000 "ASN " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 N A 21 0.00000 0.00000 "ASN " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 N A 21 0.00000 0.00000 "ASN " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 N A 21 0.00000 0.00000 "ASN " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 N A 21 0.00000 0.00000 "ASN " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 N A 21 0.00000 0.00000 "ASN " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 N A 21 0.00000 0.00000 "ASN " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 N A 21 0.00000 0.00000 "ASN " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 N A 2 0.00000 0.00000 "ASN " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 2 17.353598 -4.504741 -0.034128 702 N A 2 0.00000 0.00000 "ASN " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 15 17.954375 -4.779956 -1.065510 702 N A 70 0.00000 0.00000 "ASN " " OD1" " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 25 16.727467 -3.338797 0.110997 702 N A 43 0.00000 0.00000 "ASN " " ND2" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 41 18.268112 -5.735543 1.407208 702 N A 21 0.00000 0.00000 "ASN " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 16.766767 -6.385140 0.706406 702 N A 21 0.00000 0.00000 "ASN " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 43 16.769488 -2.648020 -0.624640 702 N A 21 0.00000 0.00000 "ASN " "HD22" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 43 16.210452 -3.145064 0.956729 702 N A 21 0.00000 0.00000 "ASN " "HD21" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 3 12.517151 -7.038987 1.367573 703 N A 2 0.00000 0.00000 "ASN " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 2 12.533916 -7.428058 -0.110157 703 N A 2 0.00000 0.00000 "ASN " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 15 12.402722 -8.590706 -0.472737 703 N A 70 0.00000 0.00000 "ASN " " OD1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 25 12.653256 -6.438121 -0.992375 703 N A 43 0.00000 0.00000 "ASN " " ND2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 13.321876 -7.608218 1.832862 703 N A 21 0.00000 0.00000 "ASN " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 41 11.558151 -7.384222 1.753877 703 N A 21 0.00000 0.00000 "ASN " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 43 12.669506 -6.642303 -1.981388 703 N A 21 0.00000 0.00000 "ASN " "HD22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 43 12.727541 -5.482954 -0.672632 703 N A 21 0.00000 0.00000 "ASN " "HD21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 3 9.479205 -5.131189 4.878849 704 N A 2 0.00000 0.00000 "ASN " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 2 8.185764 -5.831460 5.293545 704 N A 2 0.00000 0.00000 "ASN " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 15 8.084736 -6.419194 6.363493 704 N A 70 0.00000 0.00000 "ASN " " OD1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 25 7.154450 -5.736523 4.456941 704 N A 43 0.00000 0.00000 "ASN " " ND2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 41 10.250063 -5.901735 4.890567 704 N A 21 0.00000 0.00000 "ASN " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 41 9.684506 -4.400672 5.661342 704 N A 21 0.00000 0.00000 "ASN " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 43 6.276860 -6.181603 4.684621 704 N A 21 0.00000 0.00000 "ASN " "HD22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 43 7.249665 -5.219420 3.594596 704 N A 21 0.00000 0.00000 "ASN " "HD21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[44] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 30 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 38 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 26 1 3 3 + 26 22 27 1 3 3 + 27 23 24 2 3 3 + 28 23 25 1 3 3 + 29 25 28 1 3 3 + 30 25 29 1 3 3 + 31 30 31 1 3 3 + 32 30 34 1 3 3 + 33 30 35 1 3 3 + 34 31 32 2 3 3 + 35 31 33 1 3 3 + 36 33 36 1 3 3 + 37 33 37 1 3 3 + 38 38 39 1 3 3 + 39 38 42 1 3 3 + 40 38 43 1 3 3 + 41 39 40 2 3 3 + 42 39 41 1 3 3 + 43 41 44 1 3 3 + 44 41 45 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/ASN_3.pdb b/test/PDB/BondsRestoring/ASN_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ASN_3.pdb @@ -0,0 +1,71 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N ASN A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA ASN A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C ASN A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O ASN A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB ASN A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG ASN A 702 17.354 -4.505 -0.034 1.00 0.00 C +ATOM 7 OD1 ASN A 702 17.954 -4.780 -1.066 1.00 0.00 O +ATOM 8 ND2 ASN A 702 16.727 -3.339 0.111 1.00 0.00 N +ATOM 9 H1 ASN A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 10 H2 ASN A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 11 H3 ASN A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 12 HA ASN A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 13 HB2 ASN A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 14 HB3 ASN A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 15 HD22 ASN A 702 16.769 -2.648 -0.625 1.00 0.00 H +ATOM 16 HD21 ASN A 702 16.210 -3.145 0.957 1.00 0.00 H +ATOM 17 N ASN A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 18 CA ASN A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 19 C ASN A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 20 O ASN A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 21 CB ASN A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 22 CG ASN A 703 12.534 -7.428 -0.110 1.00 0.00 C +ATOM 23 OD1 ASN A 703 12.403 -8.591 -0.473 1.00 0.00 O +ATOM 24 ND2 ASN A 703 12.653 -6.438 -0.992 1.00 0.00 N +ATOM 25 H ASN A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 26 HA ASN A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 27 HB2 ASN A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 28 HB3 ASN A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 29 HD22 ASN A 703 12.670 -6.642 -1.981 1.00 0.00 H +ATOM 30 HD21 ASN A 703 12.728 -5.483 -0.673 1.00 0.00 H +ATOM 31 N ASN A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 32 CA ASN A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 33 C ASN A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 34 O ASN A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 35 OXT ASN A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 36 CB ASN A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 37 CG ASN A 704 8.186 -5.831 5.294 1.00 0.00 C +ATOM 38 OD1 ASN A 704 8.085 -6.419 6.363 1.00 0.00 O +ATOM 39 ND2 ASN A 704 7.154 -5.737 4.457 1.00 0.00 N +ATOM 40 H ASN A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 41 HA ASN A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 42 HB2 ASN A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 43 HB3 ASN A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 44 HD22 ASN A 704 6.277 -6.182 4.685 1.00 0.00 H +ATOM 45 HD21 ASN A 704 7.250 -5.219 3.595 1.00 0.00 H +CONECT 33 35 +CONECT 35 33 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/ASP_3.mae b/test/PDB/BondsRestoring/ASP_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ASP_3.mae @@ -0,0 +1,339 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + ASP3 + Structure + 0 + 288 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[39] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 D A 75 -0.50000 -0.50000 "ASP " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 D A 38 -0.30000 -0.30000 "ASP " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 D A 10 0.25000 0.25000 "ASP " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 D A 10 0.50000 0.50000 "ASP " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 D A 38 -0.50000 -0.50000 "ASP " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 D A 10 0.14000 0.14000 "ASP " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 D A 10 0.50000 0.50000 "ASP " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 D A 75 -0.50000 -0.50000 "ASP " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 D A 38 -0.50000 -0.50000 "ASP " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 D A 10 0.04000 0.04000 "ASP " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 D A 10 0.70000 0.70000 "ASP " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 D A 75 -0.80000 -0.80000 "ASP " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "ASP " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 D A 21 0.00000 0.00000 "ASP " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 D A 21 0.00000 0.00000 "ASP " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 D A 21 0.00000 0.00000 "ASP " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 D A 21 0.00000 0.00000 "ASP " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 D A 21 0.00000 0.00000 "ASP " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 D A 21 0.00000 0.00000 "ASP " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 D A 21 0.00000 0.00000 "ASP " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 D A 21 0.00000 0.00000 "ASP " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 D A 2 0.00000 0.00000 "ASP " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 2 17.345979 -4.493294 -0.028415 702 D A 2 0.00000 0.00000 "ASP " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 15 18.324670 -3.711537 -0.019421 702 D A 70 0.00000 0.00000 "ASP " " OD1" " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 18 16.423854 -4.500110 -0.870025 702 D A 70 0.00000 0.00000 "ASP " " OD2" " " 8 -1 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 41 18.268112 -5.735543 1.407209 702 D A 21 0.00000 0.00000 "ASP " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 16.766766 -6.385140 0.706405 702 D A 21 0.00000 0.00000 "ASP " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 3 12.517151 -7.038987 1.367573 703 D A 2 0.00000 0.00000 "ASP " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 2 12.535895 -7.414647 -0.116315 703 D A 2 0.00000 0.00000 "ASP " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 15 13.647442 -7.695371 -0.621010 703 D A 70 0.00000 0.00000 "ASP " " OD1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 18 11.446479 -7.373691 -0.724727 703 D A 70 0.00000 0.00000 "ASP " " OD2" " " 8 -1 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 13.321877 -7.608217 1.832862 703 D A 21 0.00000 0.00000 "ASP " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 41 11.558151 -7.384223 1.753877 703 D A 21 0.00000 0.00000 "ASP " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 3 9.479205 -5.131189 4.878849 704 D A 2 0.00000 0.00000 "ASP " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 2 8.177326 -5.828522 5.281633 704 D A 2 0.00000 0.00000 "ASP " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 15 8.045358 -7.029071 4.949478 704 D A 70 0.00000 0.00000 "ASP " " OD1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 18 7.324883 -5.136889 5.876319 704 D A 70 0.00000 0.00000 "ASP " " OD2" " " 8 -1 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 41 10.250063 -5.901735 4.890566 704 D A 21 0.00000 0.00000 "ASP " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 41 9.684507 -4.400672 5.661342 704 D A 21 0.00000 0.00000 "ASP " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[38] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 28 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 34 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 26 1 3 3 + 26 22 27 1 3 3 + 27 23 24 2 3 3 + 28 23 25 1 3 3 + 29 28 29 1 3 3 + 30 28 32 1 3 3 + 31 28 33 1 3 3 + 32 29 30 2 3 3 + 33 29 31 1 3 3 + 34 34 35 1 3 3 + 35 34 38 1 3 3 + 36 34 39 1 3 3 + 37 35 36 2 3 3 + 38 35 37 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/ASP_3.pdb b/test/PDB/BondsRestoring/ASP_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ASP_3.pdb @@ -0,0 +1,65 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N ASP A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA ASP A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C ASP A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O ASP A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB ASP A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG ASP A 702 17.346 -4.493 -0.028 1.00 0.00 C +ATOM 7 OD1 ASP A 702 18.325 -3.712 -0.019 1.00 0.00 O +ATOM 8 OD2 ASP A 702 16.424 -4.500 -0.870 1.00 0.00 O1- +ATOM 9 H1 ASP A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 10 H2 ASP A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 11 H3 ASP A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 12 HA ASP A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 13 HB2 ASP A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 14 HB3 ASP A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 15 N ASP A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 16 CA ASP A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 17 C ASP A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 18 O ASP A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 19 CB ASP A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 20 CG ASP A 703 12.536 -7.415 -0.116 1.00 0.00 C +ATOM 21 OD1 ASP A 703 13.647 -7.695 -0.621 1.00 0.00 O +ATOM 22 OD2 ASP A 703 11.446 -7.374 -0.725 1.00 0.00 O1- +ATOM 23 H ASP A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 24 HA ASP A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 25 HB2 ASP A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 26 HB3 ASP A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 27 N ASP A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 28 CA ASP A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 29 C ASP A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 30 O ASP A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 31 OXT ASP A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 32 CB ASP A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 33 CG ASP A 704 8.177 -5.829 5.282 1.00 0.00 C +ATOM 34 OD1 ASP A 704 8.045 -7.029 4.949 1.00 0.00 O +ATOM 35 OD2 ASP A 704 7.325 -5.137 5.876 1.00 0.00 O1- +ATOM 36 H ASP A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 37 HA ASP A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 38 HB2 ASP A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 39 HB3 ASP A 704 9.685 -4.401 5.661 1.00 0.00 H +CONECT 29 31 +CONECT 31 29 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/CYS_3.mae b/test/PDB/BondsRestoring/CYS_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/CYS_3.mae @@ -0,0 +1,333 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + CYS3 + Structure + 0 + 322 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[36] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 C A 75 -0.50000 -0.50000 "CYS " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 C A 38 -0.30000 -0.30000 "CYS " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 C A 10 0.25000 0.25000 "CYS " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 C A 10 0.50000 0.50000 "CYS " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 C A 38 -0.50000 -0.50000 "CYS " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 C A 10 0.14000 0.14000 "CYS " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 C A 10 0.50000 0.50000 "CYS " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 C A 75 -0.50000 -0.50000 "CYS " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 C A 38 -0.50000 -0.50000 "CYS " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 C A 10 0.04000 0.04000 "CYS " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 C A 10 0.70000 0.70000 "CYS " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 C A 75 -0.80000 -0.80000 "CYS " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "CYS " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 C A 21 0.00000 0.00000 "CYS " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 C A 21 0.00000 0.00000 "CYS " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 C A 21 0.00000 0.00000 "CYS " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 C A 21 0.00000 0.00000 "CYS " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 C A 21 0.00000 0.00000 "CYS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 C A 21 0.00000 0.00000 "CYS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 C A 21 0.00000 0.00000 "CYS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 C A 21 0.00000 0.00000 "CYS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 C A 2 0.00000 0.00000 "CYS " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 49 17.314649 -4.244893 -0.191546 702 C A 13 0.00000 0.00000 "CYS " " SG " " " 16 0 3 1 E1E11E "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 41 18.268112 -5.735544 1.407209 702 C A 21 0.00000 0.00000 "CYS " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 41 16.766766 -6.385140 0.706405 702 C A 21 0.00000 0.00000 "CYS " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 41 18.006565 -4.725323 -1.228529 702 C A 21 0.00000 0.00000 "CYS " " HG " " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 3 12.517151 -7.038987 1.367573 703 C A 2 0.00000 0.00000 "CYS " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 49 12.551928 -7.393360 -0.413950 703 C A 13 0.00000 0.00000 "CYS " " SG " " " 16 0 3 1 E1E11E "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 13.321876 -7.608217 1.832863 703 C A 21 0.00000 0.00000 "CYS " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 11.558150 -7.384223 1.753877 703 C A 21 0.00000 0.00000 "CYS " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 12.394125 -8.705315 -0.610848 703 C A 21 0.00000 0.00000 "CYS " " HG " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 3 9.479205 -5.131189 4.878849 704 C A 2 0.00000 0.00000 "CYS " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 49 7.896614 -5.930747 5.274739 704 C A 13 0.00000 0.00000 "CYS " " SG " " " 16 0 3 1 E1E11E "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 10.250063 -5.901734 4.890567 704 C A 21 0.00000 0.00000 "CYS " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 41 9.684506 -4.400672 5.661343 704 C A 21 0.00000 0.00000 "CYS " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 41 7.979650 -6.514942 6.473371 704 C A 21 0.00000 0.00000 "CYS " " HG " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[35] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 27 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 32 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 24 1 3 3 + 26 22 25 1 3 3 + 27 23 26 1 3 3 + 28 27 28 1 3 3 + 29 27 29 1 3 3 + 30 27 30 1 3 3 + 31 28 31 1 3 3 + 32 32 33 1 3 3 + 33 32 34 1 3 3 + 34 32 35 1 3 3 + 35 33 36 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/CYS_3.pdb b/test/PDB/BondsRestoring/CYS_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/CYS_3.pdb @@ -0,0 +1,62 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N CYS A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA CYS A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C CYS A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O CYS A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB CYS A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 SG CYS A 702 17.315 -4.245 -0.192 1.00 0.00 S +ATOM 7 H1 CYS A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 8 H2 CYS A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 9 H3 CYS A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 10 HA CYS A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 11 HB2 CYS A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 12 HB3 CYS A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 13 HG CYS A 702 18.007 -4.725 -1.229 1.00 0.00 H +ATOM 14 N CYS A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 15 CA CYS A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 16 C CYS A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 17 O CYS A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 18 CB CYS A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 19 SG CYS A 703 12.552 -7.393 -0.414 1.00 0.00 S +ATOM 20 H CYS A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 21 HA CYS A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 22 HB2 CYS A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 23 HB3 CYS A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 24 HG CYS A 703 12.394 -8.705 -0.611 1.00 0.00 H +ATOM 25 N CYS A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 26 CA CYS A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 27 C CYS A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 28 O CYS A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 29 OXT CYS A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 30 CB CYS A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 31 SG CYS A 704 7.897 -5.931 5.275 1.00 0.00 S +ATOM 32 H CYS A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 33 HA CYS A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 34 HB2 CYS A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 35 HB3 CYS A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 36 HG CYS A 704 7.980 -6.515 6.473 1.00 0.00 H +CONECT 27 29 +CONECT 29 27 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/GLN_3.mae b/test/PDB/BondsRestoring/GLN_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLN_3.mae @@ -0,0 +1,369 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + GLN3 + Structure + 0 + 328 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[54] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 Q A 75 -0.50000 -0.50000 "GLN " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 Q A 38 -0.30000 -0.30000 "GLN " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 Q A 10 0.25000 0.25000 "GLN " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 Q A 10 0.50000 0.50000 "GLN " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 Q A 38 -0.50000 -0.50000 "GLN " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 Q A 10 0.14000 0.14000 "GLN " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 Q A 10 0.50000 0.50000 "GLN " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 Q A 75 -0.50000 -0.50000 "GLN " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 Q A 38 -0.50000 -0.50000 "GLN " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 Q A 10 0.04000 0.04000 "GLN " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 Q A 10 0.70000 0.70000 "GLN " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 Q A 75 -0.80000 -0.80000 "GLN " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "GLN " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 Q A 21 0.00000 0.00000 "GLN " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 Q A 21 0.00000 0.00000 "GLN " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 Q A 21 0.00000 0.00000 "GLN " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 Q A 21 0.00000 0.00000 "GLN " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 Q A 21 0.00000 0.00000 "GLN " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 Q A 21 0.00000 0.00000 "GLN " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 Q A 21 0.00000 0.00000 "GLN " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 Q A 21 0.00000 0.00000 "GLN " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 Q A 2 0.00000 0.00000 "GLN " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 3 17.372214 -4.521017 -0.058922 702 Q A 2 0.00000 0.00000 "GLN " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 2 18.158556 -5.056062 -1.246814 702 Q A 2 0.00000 0.00000 "GLN " " CD " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 15 17.602433 -5.662962 -2.155820 702 Q A 70 0.00000 0.00000 "GLN " " OE1" " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 25 19.470657 -4.843176 -1.249781 702 Q A 43 0.00000 0.00000 "GLN " " NE2" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 18.268113 -5.735543 1.407208 702 Q A 21 0.00000 0.00000 "GLN " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.766766 -6.385139 0.706406 702 Q A 21 0.00000 0.00000 "GLN " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 16.379592 -4.265151 -0.429509 702 Q A 21 0.00000 0.00000 "GLN " " HG2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 17.880734 -3.615292 0.271489 702 Q A 21 0.00000 0.00000 "GLN " " HG3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 43 20.035084 -5.179433 -2.016888 702 Q A 21 0.00000 0.00000 "GLN " "HE22" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 43 19.903190 -4.345164 -0.484929 702 Q A 21 0.00000 0.00000 "GLN " "HE21" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 3 12.517151 -7.038987 1.367573 703 Q A 2 0.00000 0.00000 "GLN " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 3 12.529539 -7.462793 -0.110923 703 Q A 2 0.00000 0.00000 "GLN " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 2 12.350972 -8.955143 -0.349034 703 Q A 2 0.00000 0.00000 "GLN " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 15 11.236943 -9.446758 -0.494452 703 Q A 70 0.00000 0.00000 "GLN " " OE1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 25 13.452241 -9.698728 -0.384073 703 Q A 43 0.00000 0.00000 "GLN " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 41 13.321876 -7.608218 1.832862 703 Q A 21 0.00000 0.00000 "GLN " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 41 11.558151 -7.384222 1.753876 703 Q A 21 0.00000 0.00000 "GLN " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 41 11.718911 -6.961618 -0.639891 703 Q A 21 0.00000 0.00000 "GLN " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 41 13.482688 -7.185248 -0.561009 703 Q A 21 0.00000 0.00000 "GLN " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 43 13.384548 -10.694426 -0.539327 703 Q A 21 0.00000 0.00000 "GLN " "HE22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 43 14.356699 -9.268021 -0.255442 703 Q A 21 0.00000 0.00000 "GLN " "HE21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 3 9.479205 -5.131189 4.878849 704 Q A 2 0.00000 0.00000 "GLN " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 3 8.192091 -5.845276 5.325094 704 Q A 2 0.00000 0.00000 "GLN " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 2 8.273489 -6.515290 6.688966 704 Q A 2 0.00000 0.00000 "GLN " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 15 7.974800 -5.910447 7.713096 704 Q A 70 0.00000 0.00000 "GLN " " OE1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 25 8.688774 -7.777645 6.719602 704 Q A 43 0.00000 0.00000 "GLN " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 41 10.250063 -5.901735 4.890567 704 Q A 21 0.00000 0.00000 "GLN " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 9.684506 -4.400672 5.661342 704 Q A 21 0.00000 0.00000 "GLN " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 41 7.375863 -5.124797 5.377846 704 Q A 21 0.00000 0.00000 "GLN " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 41 7.941249 -6.625757 4.606742 704 Q A 21 0.00000 0.00000 "GLN " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 43 8.759280 -8.264813 7.601529 704 Q A 21 0.00000 0.00000 "GLN " "HE22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 43 8.933810 -8.249638 5.860952 704 Q A 21 0.00000 0.00000 "GLN " "HE21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[53] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 33 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 44 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 27 1 3 3 + 26 22 28 1 3 3 + 27 23 24 1 3 3 + 28 23 29 1 3 3 + 29 23 30 1 3 3 + 30 24 25 2 3 3 + 31 24 26 1 3 3 + 32 26 31 1 3 3 + 33 26 32 1 3 3 + 34 33 34 1 3 3 + 35 33 38 1 3 3 + 36 33 39 1 3 3 + 37 34 35 1 3 3 + 38 34 40 1 3 3 + 39 34 41 1 3 3 + 40 35 36 2 3 3 + 41 35 37 1 3 3 + 42 37 42 1 3 3 + 43 37 43 1 3 3 + 44 44 45 1 3 3 + 45 44 49 1 3 3 + 46 44 50 1 3 3 + 47 45 46 1 3 3 + 48 45 51 1 3 3 + 49 45 52 1 3 3 + 50 46 47 2 3 3 + 51 46 48 1 3 3 + 52 48 53 1 3 3 + 53 48 54 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/GLN_3.pdb b/test/PDB/BondsRestoring/GLN_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLN_3.pdb @@ -0,0 +1,80 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N GLN A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA GLN A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C GLN A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O GLN A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB GLN A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG GLN A 702 17.372 -4.521 -0.059 1.00 0.00 C +ATOM 7 CD GLN A 702 18.159 -5.056 -1.247 1.00 0.00 C +ATOM 8 OE1 GLN A 702 17.602 -5.663 -2.156 1.00 0.00 O +ATOM 9 NE2 GLN A 702 19.471 -4.843 -1.250 1.00 0.00 N +ATOM 10 H1 GLN A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 11 H2 GLN A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 GLN A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA GLN A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 HB2 GLN A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 15 HB3 GLN A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 16 HG2 GLN A 702 16.380 -4.265 -0.430 1.00 0.00 H +ATOM 17 HG3 GLN A 702 17.881 -3.615 0.271 1.00 0.00 H +ATOM 18 HE22 GLN A 702 20.035 -5.179 -2.017 1.00 0.00 H +ATOM 19 HE21 GLN A 702 19.903 -4.345 -0.485 1.00 0.00 H +ATOM 20 N GLN A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 21 CA GLN A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 22 C GLN A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 23 O GLN A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 24 CB GLN A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 25 CG GLN A 703 12.530 -7.463 -0.111 1.00 0.00 C +ATOM 26 CD GLN A 703 12.351 -8.955 -0.349 1.00 0.00 C +ATOM 27 OE1 GLN A 703 11.237 -9.447 -0.494 1.00 0.00 O +ATOM 28 NE2 GLN A 703 13.452 -9.699 -0.384 1.00 0.00 N +ATOM 29 H GLN A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 30 HA GLN A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 31 HB2 GLN A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 32 HB3 GLN A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 33 HG2 GLN A 703 11.719 -6.962 -0.640 1.00 0.00 H +ATOM 34 HG3 GLN A 703 13.483 -7.185 -0.561 1.00 0.00 H +ATOM 35 HE22 GLN A 703 13.385 -10.694 -0.539 1.00 0.00 H +ATOM 36 HE21 GLN A 703 14.357 -9.268 -0.255 1.00 0.00 H +ATOM 37 N GLN A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 38 CA GLN A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 39 C GLN A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 40 O GLN A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 41 OXT GLN A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 42 CB GLN A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 43 CG GLN A 704 8.192 -5.845 5.325 1.00 0.00 C +ATOM 44 CD GLN A 704 8.273 -6.515 6.689 1.00 0.00 C +ATOM 45 OE1 GLN A 704 7.975 -5.910 7.713 1.00 0.00 O +ATOM 46 NE2 GLN A 704 8.689 -7.778 6.720 1.00 0.00 N +ATOM 47 H GLN A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 48 HA GLN A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 49 HB2 GLN A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 50 HB3 GLN A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 51 HG2 GLN A 704 7.376 -5.125 5.378 1.00 0.00 H +ATOM 52 HG3 GLN A 704 7.941 -6.626 4.607 1.00 0.00 H +ATOM 53 HE22 GLN A 704 8.759 -8.265 7.602 1.00 0.00 H +ATOM 54 HE21 GLN A 704 8.934 -8.250 5.861 1.00 0.00 H +CONECT 39 41 +CONECT 41 39 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/GLU_3.mae b/test/PDB/BondsRestoring/GLU_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLU_3.mae @@ -0,0 +1,357 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + GLU3 + Structure + 0 + 288 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[48] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 E A 75 -0.50000 -0.50000 "GLU " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 E A 38 -0.30000 -0.30000 "GLU " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 E A 10 0.25000 0.25000 "GLU " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 E A 10 0.50000 0.50000 "GLU " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 E A 38 -0.50000 -0.50000 "GLU " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 E A 10 0.14000 0.14000 "GLU " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 E A 10 0.50000 0.50000 "GLU " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 E A 75 -0.50000 -0.50000 "GLU " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 E A 38 -0.50000 -0.50000 "GLU " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 E A 10 0.04000 0.04000 "GLU " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 E A 10 0.70000 0.70000 "GLU " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 E A 75 -0.80000 -0.80000 "GLU " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "GLU " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 E A 21 0.00000 0.00000 "GLU " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 E A 21 0.00000 0.00000 "GLU " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 E A 21 0.00000 0.00000 "GLU " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 E A 21 0.00000 0.00000 "GLU " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 E A 21 0.00000 0.00000 "GLU " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 E A 21 0.00000 0.00000 "GLU " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 E A 21 0.00000 0.00000 "GLU " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 E A 21 0.00000 0.00000 "GLU " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 E A 2 0.00000 0.00000 "GLU " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 3 17.355561 -4.500674 -0.042102 702 E A 2 0.00000 0.00000 "GLU " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 2 18.559272 -3.563578 -0.014857 702 E A 2 0.00000 0.00000 "GLU " " CD " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 15 19.608442 -3.944148 -0.581195 702 E A 70 0.00000 0.00000 "GLU " " OE1" " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 18 18.404932 -2.472608 0.572686 702 E A 70 0.00000 0.00000 "GLU " " OE2" " " 8 -1 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 18.268112 -5.735544 1.407208 702 E A 21 0.00000 0.00000 "GLU " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.766766 -6.385140 0.706406 702 E A 21 0.00000 0.00000 "GLU " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 17.421946 -5.046596 -0.983198 702 E A 21 0.00000 0.00000 "GLU " " HG2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 16.475472 -3.857771 -0.056903 702 E A 21 0.00000 0.00000 "GLU " " HG3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 3 12.517151 -7.038987 1.367573 703 E A 2 0.00000 0.00000 "GLU " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 3 12.533681 -7.432693 -0.118059 703 E A 2 0.00000 0.00000 "GLU " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 2 13.896934 -7.777997 -0.709767 703 E A 2 0.00000 0.00000 "GLU " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 15 14.270942 -8.971185 -0.657303 703 E A 70 0.00000 0.00000 "GLU " " OE1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 18 14.543088 -6.835000 -1.212244 703 E A 70 0.00000 0.00000 "GLU " " OE2" " " 8 -1 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 41 13.321876 -7.608218 1.832862 703 E A 21 0.00000 0.00000 "GLU " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 41 11.558151 -7.384222 1.753877 703 E A 21 0.00000 0.00000 "GLU " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 41 11.909972 -8.313965 -0.267885 703 E A 21 0.00000 0.00000 "GLU " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 41 12.146948 -6.608369 -0.717247 703 E A 21 0.00000 0.00000 "GLU " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 3 9.479205 -5.131189 4.878849 704 E A 2 0.00000 0.00000 "GLU " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 3 8.179365 -5.836200 5.298081 704 E A 2 0.00000 0.00000 "GLU " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 2 8.043380 -7.299960 4.889760 704 E A 2 0.00000 0.00000 "GLU " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 15 8.465267 -8.169542 5.684852 704 E A 70 0.00000 0.00000 "GLU " " OE1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 18 7.511023 -7.524138 3.782700 704 E A 70 0.00000 0.00000 "GLU " " OE2" " " 8 -1 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 41 10.250062 -5.901735 4.890567 704 E A 21 0.00000 0.00000 "GLU " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 41 9.684507 -4.400671 5.661342 704 E A 21 0.00000 0.00000 "GLU " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 41 8.089817 -5.818447 6.384251 704 E A 21 0.00000 0.00000 "GLU " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 41 7.326916 -5.321064 4.855287 704 E A 21 0.00000 0.00000 "GLU " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[47] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 31 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 40 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 27 1 3 3 + 26 22 28 1 3 3 + 27 23 24 1 3 3 + 28 23 29 1 3 3 + 29 23 30 1 3 3 + 30 24 25 2 3 3 + 31 24 26 1 3 3 + 32 31 32 1 3 3 + 33 31 36 1 3 3 + 34 31 37 1 3 3 + 35 32 33 1 3 3 + 36 32 38 1 3 3 + 37 32 39 1 3 3 + 38 33 34 2 3 3 + 39 33 35 1 3 3 + 40 40 41 1 3 3 + 41 40 45 1 3 3 + 42 40 46 1 3 3 + 43 41 42 1 3 3 + 44 41 47 1 3 3 + 45 41 48 1 3 3 + 46 42 43 2 3 3 + 47 42 44 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/GLU_3.pdb b/test/PDB/BondsRestoring/GLU_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLU_3.pdb @@ -0,0 +1,74 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N GLU A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA GLU A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C GLU A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O GLU A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB GLU A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG GLU A 702 17.356 -4.501 -0.042 1.00 0.00 C +ATOM 7 CD GLU A 702 18.559 -3.564 -0.015 1.00 0.00 C +ATOM 8 OE1 GLU A 702 19.608 -3.944 -0.581 1.00 0.00 O +ATOM 9 OE2 GLU A 702 18.405 -2.473 0.573 1.00 0.00 O1- +ATOM 10 H1 GLU A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 11 H2 GLU A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 GLU A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA GLU A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 HB2 GLU A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 15 HB3 GLU A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 16 HG2 GLU A 702 17.422 -5.047 -0.983 1.00 0.00 H +ATOM 17 HG3 GLU A 702 16.475 -3.858 -0.057 1.00 0.00 H +ATOM 18 N GLU A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 19 CA GLU A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 20 C GLU A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 21 O GLU A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 22 CB GLU A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 23 CG GLU A 703 12.534 -7.433 -0.118 1.00 0.00 C +ATOM 24 CD GLU A 703 13.897 -7.778 -0.710 1.00 0.00 C +ATOM 25 OE1 GLU A 703 14.271 -8.971 -0.657 1.00 0.00 O +ATOM 26 OE2 GLU A 703 14.543 -6.835 -1.212 1.00 0.00 O1- +ATOM 27 H GLU A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 28 HA GLU A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 29 HB2 GLU A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 30 HB3 GLU A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 31 HG2 GLU A 703 11.910 -8.314 -0.268 1.00 0.00 H +ATOM 32 HG3 GLU A 703 12.147 -6.608 -0.717 1.00 0.00 H +ATOM 33 N GLU A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 34 CA GLU A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 35 C GLU A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 36 O GLU A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 37 OXT GLU A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 38 CB GLU A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 39 CG GLU A 704 8.179 -5.836 5.298 1.00 0.00 C +ATOM 40 CD GLU A 704 8.043 -7.300 4.890 1.00 0.00 C +ATOM 41 OE1 GLU A 704 8.465 -8.170 5.685 1.00 0.00 O +ATOM 42 OE2 GLU A 704 7.511 -7.524 3.783 1.00 0.00 O1- +ATOM 43 H GLU A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 44 HA GLU A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 45 HB2 GLU A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 46 HB3 GLU A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 47 HG2 GLU A 704 8.090 -5.818 6.384 1.00 0.00 H +ATOM 48 HG3 GLU A 704 7.327 -5.321 4.855 1.00 0.00 H +CONECT 35 37 +CONECT 37 35 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/GLY_3.mae b/test/PDB/BondsRestoring/GLY_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLY_3.mae @@ -0,0 +1,310 @@ + +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + GLY3 + Structure + 0 + 336 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[24] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 G A 75 -0.50000 -0.50000 "GLY " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 G A 38 -0.30000 -0.30000 "GLY " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 G A 10 0.25000 0.25000 "GLY " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 G A 10 0.50000 0.50000 "GLY " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 G A 38 -0.50000 -0.50000 "GLY " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 G A 10 0.14000 0.14000 "GLY " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 G A 10 0.50000 0.50000 "GLY " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 G A 75 -0.50000 -0.50000 "GLY " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 G A 38 -0.50000 -0.50000 "GLY " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 G A 10 0.04000 0.04000 "GLY " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 G A 10 0.70000 0.70000 "GLY " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 G A 75 -0.80000 -0.80000 "GLY " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "GLY " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 G A 21 0.00000 0.00000 "GLY " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 G A 21 0.00000 0.00000 "GLY " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 G A 21 0.00000 0.00000 "GLY " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 G A 21 0.00000 0.00000 "GLY " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 G A 21 0.00000 0.00000 "GLY " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 G A 21 0.00000 0.00000 "GLY " " HA2" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 41 9.478038 -4.932379 4.490817 704 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 41 12.566848 -6.615529 1.458730 703 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 41 17.021772 -5.364475 1.473666 702 G A 21 0.00000 0.00000 "GLY " " HA3" " g1" 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[23] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 24 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 23 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 22 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/GLY_3.pdb b/test/PDB/BondsRestoring/GLY_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/GLY_3.pdb @@ -0,0 +1,50 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N GLY A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA GLY A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C GLY A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O GLY A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 H1 GLY A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 6 H2 GLY A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 7 H3 GLY A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 8 HA2 GLY A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 9 HA3 GLY A 702 17.022 -5.364 1.474 1.00 0.00 H +ATOM 10 N GLY A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 11 CA GLY A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 12 C GLY A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 13 O GLY A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 14 H GLY A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 15 HA2 GLY A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 16 HA3 GLY A 703 12.567 -6.616 1.459 1.00 0.00 H +ATOM 17 N GLY A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 18 CA GLY A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 19 C GLY A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 20 O GLY A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 21 OXT GLY A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 22 H GLY A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 23 HA2 GLY A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 24 HA3 GLY A 704 9.478 -4.932 4.491 1.00 0.00 H +CONECT 19 21 +CONECT 21 19 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/HID_3.mae b/test/PDB/BondsRestoring/HID_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HID_3.mae @@ -0,0 +1,372 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + HID3 + Structure + 0 + 350 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 349 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[54] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 H A 75 -0.50000 -0.50000 "HIS " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 H A 38 -0.30000 -0.30000 "HIS " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 H A 10 0.25000 0.25000 "HIS " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 H A 10 0.50000 0.50000 "HIS " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 H A 38 -0.50000 -0.50000 "HIS " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 H A 10 0.14000 0.14000 "HIS " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 H A 10 0.50000 0.50000 "HIS " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 H A 75 -0.50000 -0.50000 "HIS " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 H A 38 -0.50000 -0.50000 "HIS " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 H A 10 0.04000 0.04000 "HIS " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 H A 10 0.70000 0.70000 "HIS " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 H A 75 -0.80000 -0.80000 "HIS " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "HIS " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 16.749240 -4.913557 4.375329 702 P A 21 0.00000 0.00000 "HIS " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 44 17.400988 -6.265442 3.692004 702 H A 21 0.00000 0.00000 "HIS " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 45 <> <> + 16 41 16.297161 -3.959271 2.261460 702 H A 21 0.00000 0.00000 "HIS " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 41 12.295224 -5.033197 0.816483 703 H A 21 0.00000 0.00000 "HIS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 41 8.544335 -4.749933 3.048741 704 H A 21 0.00000 0.00000 "HIS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 3 17.243256 -5.497465 1.122448 702 H A 10 0.00000 0.00000 "HIS " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 -1 <> <> + 20 2 18.168374 -6.677107 1.314537 702 H A 10 0.00000 0.00000 "HIS " " CG " " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 24 <> <> + 21 25 18.887996 -6.853335 2.425813 702 H A 38 0.00000 0.00000 "HIS " " ND1" " " 7 0 3 1 2F2FFF "" 0 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 19 <> <> + 22 2 18.466372 -7.737469 0.492648 702 H A 10 0.00000 0.00000 "HIS " " CD2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 23 <> <> + 23 2 19.608771 -7.979442 2.301752 702 H A 10 0.00000 0.00000 "HIS " " CE1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 21 <> <> + 24 25 19.387400 -8.563522 1.125046 702 H A 38 0.00000 0.00000 "HIS " " NE2" " " 7 0 3 1 2F2FFF "" 0 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 22 <> <> + 25 41 16.543057 -5.793099 0.341153 702 H A 21 0.00000 0.00000 "HIS " " HB2" " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 -1 <> <> + 26 41 17.870748 -4.683928 0.758426 702 H A 21 0.00000 0.00000 "HIS " " HB3" " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 -1 <> <> + 27 43 18.824825 -6.184259 3.179767 702 H A 21 0.00000 0.00000 "HIS " " HD1" " " 1 0 3 1 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 20 <> <> + 28 41 17.997583 -7.817503 -0.477008 702 H A 21 0.00000 0.00000 "HIS " " HD2" " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 -1 <> <> + 29 41 20.259019 -8.295527 3.104041 702 H A 21 0.00000 0.00000 "HIS " " HE1" " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 -1 <> <> + 30 44 18.144507 -4.805632 3.502489 702 H A 21 0.00000 0.00000 "HIS " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 31 3 12.517150 -7.038987 1.367574 703 H A 10 0.00000 0.00000 "HIS " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 -1 <> <> + 32 2 13.585023 -7.971931 1.890603 703 H A 10 0.00000 0.00000 "HIS " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 24 <> <> + 33 25 14.878421 -7.640125 1.920156 703 H A 38 0.00000 0.00000 "HIS " " ND1" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 19 <> <> + 34 2 13.503639 -9.243687 2.405078 703 H A 10 0.00000 0.00000 "HIS " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 23 <> <> + 35 2 15.577746 -8.665889 2.431798 703 H A 10 0.00000 0.00000 "HIS " " CE1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 21 <> <> + 36 25 14.776932 -9.683143 2.745936 703 H A 38 0.00000 0.00000 "HIS " " NE2" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 22 <> <> + 37 41 11.578134 -7.394693 1.791629 703 H A 21 0.00000 0.00000 "HIS " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 -1 <> <> + 38 41 12.503364 -7.179327 0.286734 703 H A 21 0.00000 0.00000 "HIS " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 -1 <> <> + 39 43 15.175207 -6.734472 1.585773 703 H A 21 0.00000 0.00000 "HIS " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 20 <> <> + 40 41 12.544218 -9.732827 2.486652 703 H A 21 0.00000 0.00000 "HIS " " HD2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 -1 <> <> + 41 41 16.649662 -8.588655 2.538711 703 H A 21 0.00000 0.00000 "HIS " " HE1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 -1 <> <> + 42 43 14.257990 -4.277618 1.266790 703 H A 21 0.00000 0.00000 "HIS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 43 3 9.479205 -5.131188 4.878850 704 H A 10 0.00000 0.00000 "HIS " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 -1 <> <> + 44 2 10.825091 -5.569557 5.408682 704 H A 10 0.00000 0.00000 "HIS " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 24 <> <> + 45 25 11.783424 -6.061459 4.619078 704 H A 38 0.00000 0.00000 "HIS " " ND1" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 19 <> <> + 46 2 11.339385 -5.572386 6.683109 704 H A 10 0.00000 0.00000 "HIS " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 23 <> <> + 47 2 12.854136 -6.361410 5.371828 704 H A 10 0.00000 0.00000 "HIS " " CE1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 21 <> <> + 48 25 12.632143 -6.080889 6.655112 704 H A 38 0.00000 0.00000 "HIS " " NE2" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 22 <> <> + 49 41 9.067296 -4.460238 5.632678 704 H A 21 0.00000 0.00000 "HIS " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 41 8.871803 -6.034752 4.826561 704 H A 21 0.00000 0.00000 "HIS " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 43 11.623006 -6.150941 3.625922 704 H A 21 0.00000 0.00000 "HIS " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 20 <> <> + 52 41 10.741987 -5.211527 7.507304 704 H A 21 0.00000 0.00000 "HIS " " HD2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 52 -1 <> <> + 53 41 13.739663 -6.773789 4.911193 704 H A 21 0.00000 0.00000 "HIS " " HE1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 53 -1 <> <> + 54 43 10.166444 -5.079505 1.687341 704 H A 21 0.00000 0.00000 "HIS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + ::: + } + m_bond[56] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 15 1 3 3 + 4 2 30 1 3 3 + 5 2 14 1 3 3 + 6 3 4 1 3 3 + 7 3 16 1 3 3 + 8 3 19 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 42 1 3 3 + 12 6 7 1 3 3 + 13 6 17 1 3 3 + 14 6 31 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 54 1 3 3 + 19 10 11 1 3 3 + 20 10 18 1 3 3 + 21 10 43 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 19 20 1 3 3 + 25 19 25 1 3 3 + 26 19 26 1 3 3 + 27 20 21 1 3 3 + 28 20 22 2 3 3 + 29 21 23 1 3 3 + 30 21 27 1 3 3 + 31 22 24 1 3 3 + 32 22 28 1 3 3 + 33 23 24 2 3 3 + 34 23 29 1 3 3 + 35 31 32 1 3 3 + 36 31 37 1 3 3 + 37 31 38 1 3 3 + 38 32 33 1 3 3 + 39 32 34 2 3 3 + 40 33 35 1 3 3 + 41 33 39 1 3 3 + 42 34 36 1 3 3 + 43 34 40 1 3 3 + 44 35 36 2 3 3 + 45 35 41 1 3 3 + 46 43 44 1 3 3 + 47 43 49 1 3 3 + 48 43 50 1 3 3 + 49 44 45 1 3 3 + 50 44 46 2 3 3 + 51 45 47 1 3 3 + 52 45 51 1 3 3 + 53 46 48 1 3 3 + 54 46 52 1 3 3 + 55 47 48 2 3 3 + 56 47 53 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/HID_3.pdb b/test/PDB/BondsRestoring/HID_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HID_3.pdb @@ -0,0 +1,80 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N HIS A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA HIS A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C HIS A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O HIS A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB HIS A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG HIS A 702 18.168 -6.677 1.315 1.00 0.00 C +ATOM 7 ND1 HIS A 702 18.888 -6.853 2.426 1.00 0.00 N +ATOM 8 CD2 HIS A 702 18.466 -7.737 0.493 1.00 0.00 C +ATOM 9 CE1 HIS A 702 19.609 -7.979 2.302 1.00 0.00 C +ATOM 10 NE2 HIS A 702 19.387 -8.564 1.125 1.00 0.00 N +ATOM 11 H2 HIS A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 HIS A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA HIS A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 HB2 HIS A 702 16.543 -5.793 0.341 1.00 0.00 H +ATOM 15 HB3 HIS A 702 17.871 -4.684 0.758 1.00 0.00 H +ATOM 16 HD1 HIS A 702 18.825 -6.184 3.180 1.00 0.00 H +ATOM 17 HD2 HIS A 702 17.998 -7.818 -0.477 1.00 0.00 H +ATOM 18 HE1 HIS A 702 20.259 -8.296 3.104 1.00 0.00 H +ATOM 19 H1 HIS A 702 18.145 -4.806 3.502 1.00 0.00 H +ATOM 20 N HIS A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 21 CA HIS A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 22 C HIS A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 23 O HIS A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 24 CB HIS A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 25 CG HIS A 703 13.585 -7.972 1.891 1.00 0.00 C +ATOM 26 ND1 HIS A 703 14.878 -7.640 1.920 1.00 0.00 N +ATOM 27 CD2 HIS A 703 13.504 -9.244 2.405 1.00 0.00 C +ATOM 28 CE1 HIS A 703 15.578 -8.666 2.432 1.00 0.00 C +ATOM 29 NE2 HIS A 703 14.777 -9.683 2.746 1.00 0.00 N +ATOM 30 HA HIS A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 31 HB2 HIS A 703 11.578 -7.395 1.792 1.00 0.00 H +ATOM 32 HB3 HIS A 703 12.503 -7.179 0.287 1.00 0.00 H +ATOM 33 HD1 HIS A 703 15.175 -6.734 1.586 1.00 0.00 H +ATOM 34 HD2 HIS A 703 12.544 -9.733 2.487 1.00 0.00 H +ATOM 35 HE1 HIS A 703 16.650 -8.589 2.539 1.00 0.00 H +ATOM 36 H HIS A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 37 N HIS A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 38 CA HIS A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 39 C HIS A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 40 O HIS A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 41 OXT HIS A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 42 CB HIS A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 43 CG HIS A 704 10.825 -5.570 5.409 1.00 0.00 C +ATOM 44 ND1 HIS A 704 11.783 -6.061 4.619 1.00 0.00 N +ATOM 45 CD2 HIS A 704 11.339 -5.572 6.683 1.00 0.00 C +ATOM 46 CE1 HIS A 704 12.854 -6.361 5.372 1.00 0.00 C +ATOM 47 NE2 HIS A 704 12.632 -6.081 6.655 1.00 0.00 N +ATOM 48 HA HIS A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 49 HB2 HIS A 704 9.067 -4.460 5.633 1.00 0.00 H +ATOM 50 HB3 HIS A 704 8.872 -6.035 4.827 1.00 0.00 H +ATOM 51 HD1 HIS A 704 11.623 -6.151 3.626 1.00 0.00 H +ATOM 52 HD2 HIS A 704 10.742 -5.212 7.507 1.00 0.00 H +ATOM 53 HE1 HIS A 704 13.740 -6.774 4.911 1.00 0.00 H +ATOM 54 H HIS A 704 10.166 -5.080 1.687 1.00 0.00 H +CONECT 39 41 +CONECT 41 39 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/HIE_3.mae b/test/PDB/BondsRestoring/HIE_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HIE_3.mae @@ -0,0 +1,372 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_m_stars + s_m_entry_id + s_m_entry_name + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + i_m_ct_format + ::: + HIE3 + 0 + 52 + Structure + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 349 + 1 + 1 + 1 + 1 + 1 + 1 + "/home/shehovtsov/ownCloud/SchResults/ChemNext/Hedge.prj/Untitled Folder/fixed_tripeptides" + HID_3.mae + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + 2 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[54] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 H A 75 -0.50000 -0.50000 "HIE " " O " " " 8 0 3 1 FF5757 "O1" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 H A 38 -0.30000 -0.30000 "HIE " " N " " " 7 1 3 1 2F2FFF "N2" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 H A 10 0.25000 0.25000 "HIE " " CA " " " 6 0 3 1 1EE11E "C3" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 H A 10 0.50000 0.50000 "HIE " " C " " " 6 0 3 1 1EE11E "C4" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 H A 38 -0.50000 -0.50000 "HIE " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 H A 10 0.14000 0.14000 "HIE " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 H A 10 0.50000 0.50000 "HIE " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 H A 75 -0.50000 -0.50000 "HIE " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 H A 38 -0.50000 -0.50000 "HIE " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 H A 10 0.04000 0.04000 "HIE " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 H A 10 0.70000 0.70000 "HIE " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 H A 75 -0.80000 -0.80000 "HIE " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 H A 75 -0.80000 -0.80000 "HIE " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 16.749240 -4.913557 4.375329 702 H A 21 0.00000 0.00000 "HIE " " H2 " " " 1 0 3 1 FFFFFF "H14" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 44 17.400988 -6.265442 3.692004 702 H A 21 0.00000 0.00000 "HIE " " H3 " " " 1 0 3 1 FFFFFF "H15" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 45 <> <> + 16 41 16.297161 -3.959271 2.261460 702 H A 21 0.00000 0.00000 "HIE " " HA " " " 1 0 3 0 FFFFFF "H16" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 41 12.295224 -5.033197 0.816483 703 H A 21 0.00000 0.00000 "HIE " " HA " " " 1 0 3 0 FFFFFF "H17" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 41 8.544335 -4.749933 3.048741 704 H A 21 0.00000 0.00000 "HIE " " HA " " " 1 0 3 0 FFFFFF "H18" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 44 18.144507 -4.805632 3.502489 702 H A 21 0.00000 0.00000 "HIE " " H3 " " " 1 0 3 1 FFFFFF "H30" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 20 43 14.257990 -4.277618 1.266790 703 H A 21 0.00000 0.00000 "HIE " " H " " " 1 0 3 1 FFFFFF "H42" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 21 43 10.166444 -5.079505 1.687341 704 H A 21 0.00000 0.00000 "HIE " " H " " " 1 0 3 1 FFFFFF "H54" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 H A 2 0.00000 0.00000 "HIE " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 2 18.168374 -6.677107 1.314537 702 H A 2 0.00000 0.00000 "HIE " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 25 18.887996 -6.853335 2.425813 702 H A 43 0.00000 0.00000 "HIE " " ND1" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 2 18.466373 -7.737468 0.492647 702 H A 2 0.00000 0.00000 "HIE " " CD2" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 2 19.608771 -7.979442 2.301752 702 H A 2 0.00000 0.00000 "HIE " " CE1" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 25 19.387400 -8.563521 1.125046 702 H A 43 0.00000 0.00000 "HIE " " NE2" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.543057 -5.793099 0.341153 702 H A 21 0.00000 0.00000 "HIE " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 17.870748 -4.683928 0.758426 702 H A 21 0.00000 0.00000 "HIE " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 17.997584 -7.817502 -0.477008 702 H A 21 0.00000 0.00000 "HIE " " HD2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 20.259018 -8.295527 3.104042 702 H A 21 0.00000 0.00000 "HIE " " HE1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 43 19.722647 -9.395107 0.660100 702 H A 21 0.00000 0.00000 "HIE " " HE2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 3 12.517150 -7.038987 1.367574 703 H A 2 0.00000 0.00000 "HIE " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 2 13.585023 -7.971931 1.890603 703 H A 2 0.00000 0.00000 "HIE " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 25 14.878421 -7.640125 1.920156 703 H A 43 0.00000 0.00000 "HIE " " ND1" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 2 13.503638 -9.243687 2.405079 703 H A 2 0.00000 0.00000 "HIE " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 2 15.577746 -8.665890 2.431798 703 H A 2 0.00000 0.00000 "HIE " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 25 14.776932 -9.683143 2.745938 703 H A 43 0.00000 0.00000 "HIE " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 41 11.578134 -7.394693 1.791628 703 H A 21 0.00000 0.00000 "HIE " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 41 12.503364 -7.179327 0.286734 703 H A 21 0.00000 0.00000 "HIE " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 41 12.544217 -9.732826 2.486654 703 H A 21 0.00000 0.00000 "HIE " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 41 16.649662 -8.588656 2.538711 703 H A 21 0.00000 0.00000 "HIE " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 43 14.904758 -10.604831 3.138687 703 H A 21 0.00000 0.00000 "HIE " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 3 9.479205 -5.131188 4.878850 704 H A 2 0.00000 0.00000 "HIE " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 2 10.825091 -5.569557 5.408682 704 H A 2 0.00000 0.00000 "HIE " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 25 11.783424 -6.061459 4.619078 704 H A 43 0.00000 0.00000 "HIE " " ND1" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 2 11.339385 -5.572387 6.683109 704 H A 2 0.00000 0.00000 "HIE " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 2 12.854136 -6.361410 5.371828 704 H A 2 0.00000 0.00000 "HIE " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 25 12.632143 -6.080890 6.655112 704 H A 43 0.00000 0.00000 "HIE " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 9.067296 -4.460238 5.632678 704 H A 21 0.00000 0.00000 "HIE " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 41 8.871803 -6.034752 4.826561 704 H A 21 0.00000 0.00000 "HIE " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 41 10.741987 -5.211528 7.507304 704 H A 21 0.00000 0.00000 "HIE " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 41 13.739663 -6.773789 4.911193 704 H A 21 0.00000 0.00000 "HIE " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 43 13.162885 -6.158595 7.510902 704 H A 21 0.00000 0.00000 "HIE " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[56] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 15 1 3 3 + 4 2 19 1 3 3 + 5 2 14 1 3 3 + 6 3 4 1 3 3 + 7 3 16 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 20 1 3 3 + 12 6 7 1 3 3 + 13 6 17 1 3 3 + 14 6 33 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 21 1 3 3 + 19 10 11 1 3 3 + 20 10 18 1 3 3 + 21 10 44 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 28 1 3 3 + 26 22 29 1 3 3 + 27 23 24 1 3 3 + 28 23 25 2 3 3 + 29 24 26 2 3 3 + 30 25 27 1 3 3 + 31 25 30 1 3 3 + 32 26 27 1 3 3 + 33 26 31 1 3 3 + 34 27 32 1 3 3 + 35 33 34 1 3 3 + 36 33 39 1 3 3 + 37 33 40 1 3 3 + 38 34 35 1 3 3 + 39 34 36 2 3 3 + 40 35 37 2 3 3 + 41 36 38 1 3 3 + 42 36 41 1 3 3 + 43 37 38 1 3 3 + 44 37 42 1 3 3 + 45 38 43 1 3 3 + 46 44 45 1 3 3 + 47 44 50 1 3 3 + 48 44 51 1 3 3 + 49 45 46 1 3 3 + 50 45 47 2 3 3 + 51 46 48 2 3 3 + 52 47 49 1 3 3 + 53 47 52 1 3 3 + 54 48 49 1 3 3 + 55 48 53 1 3 3 + 56 49 54 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/HIE_3.pdb b/test/PDB/BondsRestoring/HIE_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HIE_3.pdb @@ -0,0 +1,80 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N HIS A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA HIS A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C HIS A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O HIS A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB HIS A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG HIS A 702 18.168 -6.677 1.315 1.00 0.00 C +ATOM 7 ND1 HIS A 702 18.888 -6.853 2.426 1.00 0.00 N +ATOM 8 CD2 HIS A 702 18.466 -7.737 0.493 1.00 0.00 C +ATOM 9 CE1 HIS A 702 19.609 -7.979 2.302 1.00 0.00 C +ATOM 10 NE2 HIS A 702 19.387 -8.564 1.125 1.00 0.00 N +ATOM 11 H2 HIS A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 HIS A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA HIS A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 H1 HIS A 702 18.145 -4.806 3.502 1.00 0.00 H +ATOM 15 HB2 HIS A 702 16.543 -5.793 0.341 1.00 0.00 H +ATOM 16 HB3 HIS A 702 17.871 -4.684 0.758 1.00 0.00 H +ATOM 17 HD2 HIS A 702 17.998 -7.818 -0.477 1.00 0.00 H +ATOM 18 HE1 HIS A 702 20.259 -8.296 3.104 1.00 0.00 H +ATOM 19 HE2 HIS A 702 19.723 -9.395 0.660 1.00 0.00 H +ATOM 20 N HIS A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 21 CA HIS A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 22 C HIS A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 23 O HIS A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 24 CB HIS A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 25 CG HIS A 703 13.585 -7.972 1.891 1.00 0.00 C +ATOM 26 ND1 HIS A 703 14.878 -7.640 1.920 1.00 0.00 N +ATOM 27 CD2 HIS A 703 13.504 -9.244 2.405 1.00 0.00 C +ATOM 28 CE1 HIS A 703 15.578 -8.666 2.432 1.00 0.00 C +ATOM 29 NE2 HIS A 703 14.777 -9.683 2.746 1.00 0.00 N +ATOM 30 HA HIS A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 31 H HIS A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 32 HB2 HIS A 703 11.578 -7.395 1.792 1.00 0.00 H +ATOM 33 HB3 HIS A 703 12.503 -7.179 0.287 1.00 0.00 H +ATOM 34 HD2 HIS A 703 12.544 -9.733 2.487 1.00 0.00 H +ATOM 35 HE1 HIS A 703 16.650 -8.589 2.539 1.00 0.00 H +ATOM 36 HE2 HIS A 703 14.905 -10.605 3.139 1.00 0.00 H +ATOM 37 N HIS A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 38 CA HIS A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 39 C HIS A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 40 O HIS A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 41 OXT HIS A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 42 CB HIS A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 43 CG HIS A 704 10.825 -5.570 5.409 1.00 0.00 C +ATOM 44 ND1 HIS A 704 11.783 -6.061 4.619 1.00 0.00 N +ATOM 45 CD2 HIS A 704 11.339 -5.572 6.683 1.00 0.00 C +ATOM 46 CE1 HIS A 704 12.854 -6.361 5.372 1.00 0.00 C +ATOM 47 NE2 HIS A 704 12.632 -6.081 6.655 1.00 0.00 N +ATOM 48 HA HIS A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 49 H HIS A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 50 HB2 HIS A 704 9.067 -4.460 5.633 1.00 0.00 H +ATOM 51 HB3 HIS A 704 8.872 -6.035 4.827 1.00 0.00 H +ATOM 52 HD2 HIS A 704 10.742 -5.212 7.507 1.00 0.00 H +ATOM 53 HE1 HIS A 704 13.740 -6.774 4.911 1.00 0.00 H +ATOM 54 HE2 HIS A 704 13.163 -6.159 7.511 1.00 0.00 H +CONECT 39 41 +CONECT 41 39 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/HIP_3.mae b/test/PDB/BondsRestoring/HIP_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HIP_3.mae @@ -0,0 +1,378 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_m_stars + s_m_entry_id + s_m_entry_name + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + i_m_ct_format + ::: + HIP3 + 0 + 52 + Structure + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 349 + 1 + 1 + 1 + 1 + 1 + 1 + "/home/shehovtsov/ownCloud/SchResults/ChemNext/Hedge.prj/Untitled Folder/fixed_tripeptides" + HID_3.mae + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + 2 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[57] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 H A 75 -0.50000 -0.50000 "HIP " " O " " " 8 0 3 1 FF5757 "O1" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 H A 38 -0.30000 -0.30000 "HIP " " N " " " 7 1 3 1 2F2FFF "N2" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 H A 10 0.25000 0.25000 "HIP " " CA " " " 6 0 3 1 1EE11E "C3" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 H A 10 0.50000 0.50000 "HIP " " C " " " 6 0 3 1 1EE11E "C4" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 H A 38 -0.50000 -0.50000 "HIP " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 H A 10 0.14000 0.14000 "HIP " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 H A 10 0.50000 0.50000 "HIP " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 H A 75 -0.50000 -0.50000 "HIP " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 H A 38 -0.50000 -0.50000 "HIP " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 H A 10 0.04000 0.04000 "HIP " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 H A 10 0.70000 0.70000 "HIP " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 H A 75 -0.80000 -0.80000 "HIP " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 H A 75 -0.80000 -0.80000 "HIP " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 16.749240 -4.913557 4.375329 702 H A 21 0.00000 0.00000 "HIP " " H2 " " " 1 0 3 1 FFFFFF "H14" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 44 17.400988 -6.265442 3.692004 702 H A 21 0.00000 0.00000 "HIP " " H3 " " " 1 0 3 1 FFFFFF "H15" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 45 <> <> + 16 41 16.297161 -3.959271 2.261460 702 H A 21 0.00000 0.00000 "HIP " " HA " " " 1 0 3 0 FFFFFF "H16" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 41 12.295224 -5.033197 0.816483 703 H A 21 0.00000 0.00000 "HIP " " HA " " " 1 0 3 0 FFFFFF "H17" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 41 8.544335 -4.749933 3.048741 704 H A 21 0.00000 0.00000 "HIP " " HA " " " 1 0 3 0 FFFFFF "H18" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 44 18.144507 -4.805632 3.502489 702 H A 21 0.00000 0.00000 "HIP " " H3 " " " 1 0 3 1 FFFFFF "H30" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 20 43 14.257990 -4.277618 1.266790 703 H A 21 0.00000 0.00000 "HIP " " H " " " 1 0 3 1 FFFFFF "H42" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 21 43 10.166444 -5.079505 1.687341 704 H A 21 0.00000 0.00000 "HIP " " H " " " 1 0 3 1 FFFFFF "H54" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 H A 2 0.00000 0.00000 "HIP " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 2 18.168374 -6.677107 1.314537 702 H A 2 0.00000 0.00000 "HIP " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 31 18.887996 -6.853335 2.425813 702 H A 43 0.00000 0.00000 "HIP " " ND1" " " 7 1 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 2 18.466373 -7.737468 0.492647 702 H A 2 0.00000 0.00000 "HIP " " CD2" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 2 19.608771 -7.979442 2.301752 702 H A 2 0.00000 0.00000 "HIP " " CE1" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 25 19.387400 -8.563521 1.125046 702 H A 43 0.00000 0.00000 "HIP " " NE2" " " 7 0 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.543057 -5.793099 0.341153 702 H A 21 0.00000 0.00000 "HIP " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 17.870748 -4.683928 0.758426 702 H A 21 0.00000 0.00000 "HIP " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 44 18.824825 -6.184259 3.179767 702 H A 21 0.00000 0.00000 "HIP " " HD1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 17.997584 -7.817502 -0.477008 702 H A 21 0.00000 0.00000 "HIP " " HD2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 20.259018 -8.295527 3.104042 702 H A 21 0.00000 0.00000 "HIP " " HE1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 43 19.722647 -9.395107 0.660100 702 H A 21 0.00000 0.00000 "HIP " " HE2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 3 12.517150 -7.038987 1.367574 703 H A 2 0.00000 0.00000 "HIP " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 2 13.585023 -7.971931 1.890603 703 H A 2 0.00000 0.00000 "HIP " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 31 14.878421 -7.640125 1.920156 703 H A 43 0.00000 0.00000 "HIP " " ND1" " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 2 13.503638 -9.243687 2.405079 703 H A 2 0.00000 0.00000 "HIP " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 2 15.577746 -8.665890 2.431798 703 H A 2 0.00000 0.00000 "HIP " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 25 14.776932 -9.683143 2.745938 703 H A 43 0.00000 0.00000 "HIP " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 41 11.578134 -7.394693 1.791628 703 H A 21 0.00000 0.00000 "HIP " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 41 12.503364 -7.179327 0.286734 703 H A 21 0.00000 0.00000 "HIP " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 44 15.175207 -6.734473 1.585773 703 H A 21 0.00000 0.00000 "HIP " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 41 12.544217 -9.732826 2.486654 703 H A 21 0.00000 0.00000 "HIP " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 41 16.649662 -8.588656 2.538711 703 H A 21 0.00000 0.00000 "HIP " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 43 14.904758 -10.604831 3.138687 703 H A 21 0.00000 0.00000 "HIP " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 3 9.479205 -5.131188 4.878850 704 H A 2 0.00000 0.00000 "HIP " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 2 10.825091 -5.569557 5.408682 704 H A 2 0.00000 0.00000 "HIP " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 31 11.783424 -6.061459 4.619078 704 H A 43 0.00000 0.00000 "HIP " " ND1" " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 2 11.339385 -5.572387 6.683109 704 H A 2 0.00000 0.00000 "HIP " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 2 12.854136 -6.361410 5.371828 704 H A 2 0.00000 0.00000 "HIP " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 25 12.632143 -6.080890 6.655112 704 H A 43 0.00000 0.00000 "HIP " " NE2" " " 7 0 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 41 9.067296 -4.460238 5.632678 704 H A 21 0.00000 0.00000 "HIP " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 41 8.871803 -6.034752 4.826561 704 H A 21 0.00000 0.00000 "HIP " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 44 11.623006 -6.150941 3.625922 704 H A 21 0.00000 0.00000 "HIP " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 55 41 10.741987 -5.211528 7.507304 704 H A 21 0.00000 0.00000 "HIP " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 56 41 13.739663 -6.773789 4.911193 704 H A 21 0.00000 0.00000 "HIP " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 57 43 13.162885 -6.158595 7.510902 704 H A 21 0.00000 0.00000 "HIP " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[59] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 15 1 3 3 + 4 2 19 1 3 3 + 5 2 14 1 3 3 + 6 3 4 1 3 3 + 7 3 16 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 20 1 3 3 + 12 6 7 1 3 3 + 13 6 17 1 3 3 + 14 6 34 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 21 1 3 3 + 19 10 11 1 3 3 + 20 10 18 1 3 3 + 21 10 46 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 28 1 3 3 + 26 22 29 1 3 3 + 27 23 24 1 3 3 + 28 23 25 2 3 3 + 29 24 26 2 3 3 + 30 24 30 1 3 3 + 31 25 27 1 3 3 + 32 25 31 1 3 3 + 33 26 27 1 3 3 + 34 26 32 1 3 3 + 35 27 33 1 3 3 + 36 34 35 1 3 3 + 37 34 40 1 3 3 + 38 34 41 1 3 3 + 39 35 36 1 3 3 + 40 35 37 2 3 3 + 41 36 38 2 3 3 + 42 36 42 1 3 3 + 43 37 39 1 3 3 + 44 37 43 1 3 3 + 45 38 39 1 3 3 + 46 38 44 1 3 3 + 47 39 45 1 3 3 + 48 46 47 1 3 3 + 49 46 52 1 3 3 + 50 46 53 1 3 3 + 51 47 48 1 3 3 + 52 47 49 2 3 3 + 53 48 50 2 3 3 + 54 48 54 1 3 3 + 55 49 51 1 3 3 + 56 49 55 1 3 3 + 57 50 51 1 3 3 + 58 50 56 1 3 3 + 59 51 57 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/HIP_3.pdb b/test/PDB/BondsRestoring/HIP_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/HIP_3.pdb @@ -0,0 +1,83 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N HIS A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA HIS A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C HIS A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O HIS A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB HIS A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG HIS A 702 18.168 -6.677 1.315 1.00 0.00 C +ATOM 7 ND1 HIS A 702 18.888 -6.853 2.426 1.00 0.00 N1+ +ATOM 8 CD2 HIS A 702 18.466 -7.737 0.493 1.00 0.00 C +ATOM 9 CE1 HIS A 702 19.609 -7.979 2.302 1.00 0.00 C +ATOM 10 NE2 HIS A 702 19.387 -8.564 1.125 1.00 0.00 N +ATOM 11 H2 HIS A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 HIS A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA HIS A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 H1 HIS A 702 18.145 -4.806 3.502 1.00 0.00 H +ATOM 15 HB2 HIS A 702 16.543 -5.793 0.341 1.00 0.00 H +ATOM 16 HB3 HIS A 702 17.871 -4.684 0.758 1.00 0.00 H +ATOM 17 HD1 HIS A 702 18.825 -6.184 3.180 1.00 0.00 H +ATOM 18 HD2 HIS A 702 17.998 -7.818 -0.477 1.00 0.00 H +ATOM 19 HE1 HIS A 702 20.259 -8.296 3.104 1.00 0.00 H +ATOM 20 HE2 HIS A 702 19.723 -9.395 0.660 1.00 0.00 H +ATOM 21 N HIS A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 22 CA HIS A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 23 C HIS A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 24 O HIS A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 25 CB HIS A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 26 CG HIS A 703 13.585 -7.972 1.891 1.00 0.00 C +ATOM 27 ND1 HIS A 703 14.878 -7.640 1.920 1.00 0.00 N1+ +ATOM 28 CD2 HIS A 703 13.504 -9.244 2.405 1.00 0.00 C +ATOM 29 CE1 HIS A 703 15.578 -8.666 2.432 1.00 0.00 C +ATOM 30 NE2 HIS A 703 14.777 -9.683 2.746 1.00 0.00 N +ATOM 31 HA HIS A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 32 H HIS A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 33 HB2 HIS A 703 11.578 -7.395 1.792 1.00 0.00 H +ATOM 34 HB3 HIS A 703 12.503 -7.179 0.287 1.00 0.00 H +ATOM 35 HD1 HIS A 703 15.175 -6.734 1.586 1.00 0.00 H +ATOM 36 HD2 HIS A 703 12.544 -9.733 2.487 1.00 0.00 H +ATOM 37 HE1 HIS A 703 16.650 -8.589 2.539 1.00 0.00 H +ATOM 38 HE2 HIS A 703 14.905 -10.605 3.139 1.00 0.00 H +ATOM 39 N HIS A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 40 CA HIS A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 41 C HIS A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 42 O HIS A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 43 OXT HIS A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 44 CB HIS A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 45 CG HIS A 704 10.825 -5.570 5.409 1.00 0.00 C +ATOM 46 ND1 HIS A 704 11.783 -6.061 4.619 1.00 0.00 N1+ +ATOM 47 CD2 HIS A 704 11.339 -5.572 6.683 1.00 0.00 C +ATOM 48 CE1 HIS A 704 12.854 -6.361 5.372 1.00 0.00 C +ATOM 49 NE2 HIS A 704 12.632 -6.081 6.655 1.00 0.00 N +ATOM 50 HA HIS A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 51 H HIS A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 52 HB2 HIS A 704 9.067 -4.460 5.633 1.00 0.00 H +ATOM 53 HB3 HIS A 704 8.872 -6.035 4.827 1.00 0.00 H +ATOM 54 HD1 HIS A 704 11.623 -6.151 3.626 1.00 0.00 H +ATOM 55 HD2 HIS A 704 10.742 -5.212 7.507 1.00 0.00 H +ATOM 56 HE1 HIS A 704 13.740 -6.774 4.911 1.00 0.00 H +ATOM 57 HE2 HIS A 704 13.163 -6.159 7.511 1.00 0.00 H +CONECT 41 43 +CONECT 43 41 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/ILE_3.mae b/test/PDB/BondsRestoring/ILE_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ILE_3.mae @@ -0,0 +1,381 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + ILE3 + Structure + 0 + 276 + ala3 + -879.015869140625 + 2.49404549598694 + 22.6306381225586 + 10.0223264694214 + 0.0365297868847847 + 11.4202756881714 + -448.666320800781 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 275 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -476.953399658203 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[60] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 I A 75 -0.50000 -0.50000 "ILE " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 I A 38 -0.30000 -0.30000 "ILE " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 I A 10 0.25000 0.25000 "ILE " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 I A 10 0.50000 0.50000 "ILE " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 I A 38 -0.50000 -0.50000 "ILE " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 I A 10 0.14000 0.14000 "ILE " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 I A 10 0.50000 0.50000 "ILE " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 I A 75 -0.50000 -0.50000 "ILE " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 I A 38 -0.50000 -0.50000 "ILE " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 I A 10 0.04000 0.04000 "ILE " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 I A 10 0.70000 0.70000 "ILE " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 I A 75 -0.80000 -0.80000 "ILE " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 I A 75 -0.80000 -0.80000 "ILE " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 3 17.243256 -5.497465 1.122448 702 I A 10 0.00000 0.00000 "ILE " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 3 17.277433 -4.403533 0.035229 702 I A 10 0.00000 0.00000 "ILE " " CG1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 -1 <> <> + 16 3 16.670080 -6.816202 0.573552 702 I A 10 0.00000 0.00000 "ILE " " CG2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 3 18.022825 -4.705263 -1.274762 702 I A 10 0.00000 0.00000 "ILE " " CD1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 3 12.517151 -7.038987 1.367573 703 I A 10 0.00000 0.00000 "ILE " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 3 12.553180 -7.291769 -0.153842 703 I A 10 0.00000 0.00000 "ILE " " CG1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 -1 <> <> + 20 3 11.226869 -7.592864 1.997875 703 I A 10 0.00000 0.00000 "ILE " " CG2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 -1 <> <> + 21 3 12.394892 -8.736790 -0.653428 703 I A 10 0.00000 0.00000 "ILE " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 -1 <> <> + 22 3 9.479205 -5.131189 4.878849 704 I A 10 0.00000 0.00000 "ILE " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 -1 <> <> + 23 3 8.117574 -5.794587 5.171705 704 I A 10 0.00000 0.00000 "ILE " " CG1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 -1 <> <> + 24 3 9.880262 -4.155191 5.999326 704 I A 10 0.00000 0.00000 "ILE " " CG2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 -1 <> <> + 25 3 7.947198 -6.545310 6.502162 704 I A 10 0.00000 0.00000 "ILE " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 -1 <> <> + 26 44 18.144641 -4.805768 3.503240 702 I A 21 0.00000 0.00000 "ILE " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 45 <> <> + 27 44 16.749240 -4.913557 4.375329 702 I A 21 0.00000 0.00000 "ILE " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 -1 <> <> + 28 44 17.400988 -6.265442 3.692004 702 I A 21 0.00000 0.00000 "ILE " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 -1 <> <> + 29 41 16.297161 -3.959271 2.261460 702 I A 21 0.00000 0.00000 "ILE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 -1 <> <> + 30 43 14.257990 -4.277618 1.266790 703 I A 21 0.00000 0.00000 "ILE " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 31 41 12.295224 -5.033197 0.816483 703 I A 21 0.00000 0.00000 "ILE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 -1 <> <> + 32 43 10.166444 -5.079505 1.687341 704 I A 21 0.00000 0.00000 "ILE " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 -1 <> <> + 33 41 8.544335 -4.749933 3.048741 704 I A 21 0.00000 0.00000 "ILE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 -1 <> <> + 34 41 18.270860 -5.687500 1.432313 702 I A 21 0.00000 0.00000 "ILE " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 -1 <> <> + 35 41 17.672281 -3.483762 0.466758 702 I A 21 0.00000 0.00000 "ILE " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 -1 <> <> + 36 41 16.256869 -4.099113 -0.196886 702 I A 21 0.00000 0.00000 "ILE " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 -1 <> <> + 37 41 17.241306 -7.124694 -0.302024 702 I A 21 0.00000 0.00000 "ILE " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 -1 <> <> + 38 41 16.735636 -7.588390 1.340055 702 I A 21 0.00000 0.00000 "ILE " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 -1 <> <> + 39 41 15.626799 -6.670775 0.293345 702 I A 21 0.00000 0.00000 "ILE " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 -1 <> <> + 40 41 17.958206 -3.842125 -1.937270 702 I A 21 0.00000 0.00000 "ILE " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 -1 <> <> + 41 41 19.069469 -4.918045 -1.057139 702 I A 21 0.00000 0.00000 "ILE " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 -1 <> <> + 42 41 17.570123 -5.569886 -1.760137 702 I A 21 0.00000 0.00000 "ILE " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 43 41 13.357296 -7.573244 1.811224 703 I A 21 0.00000 0.00000 "ILE " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 -1 <> <> + 44 41 13.471311 -6.871011 -0.563839 703 I A 21 0.00000 0.00000 "ILE " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 -1 <> <> + 45 41 11.805862 -6.662992 -0.637841 703 I A 21 0.00000 0.00000 "ILE " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 46 41 11.128132 -8.650770 1.754593 703 I A 21 0.00000 0.00000 "ILE " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 47 41 11.269714 -7.471960 3.080301 703 I A 21 0.00000 0.00000 "ILE " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 48 41 10.367690 -7.048674 1.605743 703 I A 21 0.00000 0.00000 "ILE " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 49 41 12.441320 -8.752450 -1.742326 703 I A 21 0.00000 0.00000 "ILE " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 41 13.197581 -9.352211 -0.247169 703 I A 21 0.00000 0.00000 "ILE " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 41 11.433370 -9.131857 -0.325559 703 I A 21 0.00000 0.00000 "ILE " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 52 41 10.230347 -5.920263 4.843513 704 I A 21 0.00000 0.00000 "ILE " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 52 -1 <> <> + 53 41 7.862144 -6.463076 4.349526 704 I A 21 0.00000 0.00000 "ILE " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 53 -1 <> <> + 54 41 7.329468 -5.047176 5.080247 704 I A 21 0.00000 0.00000 "ILE " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 55 41 9.874888 -4.677512 6.956014 704 I A 21 0.00000 0.00000 "ILE " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 55 -1 <> <> + 56 41 10.879855 -3.767219 5.803386 704 I A 21 0.00000 0.00000 "ILE " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 56 -1 <> <> + 57 41 9.170474 -3.328661 6.033224 704 I A 21 0.00000 0.00000 "ILE " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 57 -1 <> <> + 58 41 6.939081 -6.955456 6.562002 704 I A 21 0.00000 0.00000 "ILE " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 58 -1 <> <> + 59 41 8.672894 -7.356723 6.557612 704 I A 21 0.00000 0.00000 "ILE " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 59 -1 <> <> + 60 41 8.108630 -5.856860 7.331666 704 I A 21 0.00000 0.00000 "ILE " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 60 -1 <> <> + ::: + } + m_bond[59] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 26 1 3 3 + 4 2 27 1 3 3 + 5 2 28 1 3 3 + 6 3 4 1 3 3 + 7 3 14 1 3 3 + 8 3 29 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 30 1 3 3 + 12 6 7 1 3 3 + 13 6 18 1 3 3 + 14 6 31 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 32 1 3 3 + 19 10 11 1 3 3 + 20 10 22 1 3 3 + 21 10 33 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 14 15 1 3 3 + 25 14 16 1 3 3 + 26 14 34 1 3 3 + 27 15 17 1 3 3 + 28 15 35 1 3 3 + 29 15 36 1 3 3 + 30 16 37 1 3 3 + 31 16 38 1 3 3 + 32 16 39 1 3 3 + 33 17 40 1 3 3 + 34 17 41 1 3 3 + 35 17 42 1 3 3 + 36 18 19 1 3 3 + 37 18 20 1 3 3 + 38 18 43 1 3 3 + 39 19 21 1 3 3 + 40 19 44 1 3 3 + 41 19 45 1 3 3 + 42 20 46 1 3 3 + 43 20 47 1 3 3 + 44 20 48 1 3 3 + 45 21 49 1 3 3 + 46 21 50 1 3 3 + 47 21 51 1 3 3 + 48 22 23 1 3 3 + 49 22 24 1 3 3 + 50 22 52 1 3 3 + 51 23 25 1 3 3 + 52 23 53 1 3 3 + 53 23 54 1 3 3 + 54 24 55 1 3 3 + 55 24 56 1 3 3 + 56 24 57 1 3 3 + 57 25 58 1 3 3 + 58 25 59 1 3 3 + 59 25 60 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/ILE_3.pdb b/test/PDB/BondsRestoring/ILE_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/ILE_3.pdb @@ -0,0 +1,84 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N ILE A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA ILE A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C ILE A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O ILE A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB ILE A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG1 ILE A 702 17.277 -4.404 0.035 1.00 0.00 C +ATOM 7 CG2 ILE A 702 16.670 -6.816 0.574 1.00 0.00 C +ATOM 8 CD1 ILE A 702 18.023 -4.705 -1.275 1.00 0.00 C +ATOM 9 H1 ILE A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 10 H2 ILE A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 11 H3 ILE A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 12 HA ILE A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 13 HB ILE A 702 18.271 -5.688 1.432 1.00 0.00 H +ATOM 14 HG13 ILE A 702 17.672 -3.484 0.467 1.00 0.00 H +ATOM 15 HG12 ILE A 702 16.257 -4.099 -0.197 1.00 0.00 H +ATOM 16 HG21 ILE A 702 17.241 -7.125 -0.302 1.00 0.00 H +ATOM 17 HG22 ILE A 702 16.736 -7.588 1.340 1.00 0.00 H +ATOM 18 HG23 ILE A 702 15.627 -6.671 0.293 1.00 0.00 H +ATOM 19 HD11 ILE A 702 17.958 -3.842 -1.937 1.00 0.00 H +ATOM 20 HD12 ILE A 702 19.069 -4.918 -1.057 1.00 0.00 H +ATOM 21 HD13 ILE A 702 17.570 -5.570 -1.760 1.00 0.00 H +ATOM 22 N ILE A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 23 CA ILE A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 24 C ILE A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 25 O ILE A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 26 CB ILE A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 27 CG1 ILE A 703 12.553 -7.292 -0.154 1.00 0.00 C +ATOM 28 CG2 ILE A 703 11.227 -7.593 1.998 1.00 0.00 C +ATOM 29 CD1 ILE A 703 12.395 -8.737 -0.653 1.00 0.00 C +ATOM 30 H ILE A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 31 HA ILE A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 32 HB ILE A 703 13.357 -7.573 1.811 1.00 0.00 H +ATOM 33 HG13 ILE A 703 13.471 -6.871 -0.564 1.00 0.00 H +ATOM 34 HG12 ILE A 703 11.806 -6.663 -0.638 1.00 0.00 H +ATOM 35 HG21 ILE A 703 11.128 -8.651 1.755 1.00 0.00 H +ATOM 36 HG22 ILE A 703 11.270 -7.472 3.080 1.00 0.00 H +ATOM 37 HG23 ILE A 703 10.368 -7.049 1.606 1.00 0.00 H +ATOM 38 HD11 ILE A 703 12.441 -8.752 -1.742 1.00 0.00 H +ATOM 39 HD12 ILE A 703 13.198 -9.352 -0.247 1.00 0.00 H +ATOM 40 HD13 ILE A 703 11.433 -9.132 -0.326 1.00 0.00 H +ATOM 41 N ILE A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 42 CA ILE A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 43 C ILE A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 44 O ILE A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 45 OXT ILE A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 46 CB ILE A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 47 CG1 ILE A 704 8.118 -5.795 5.172 1.00 0.00 C +ATOM 48 CG2 ILE A 704 9.880 -4.155 5.999 1.00 0.00 C +ATOM 49 CD1 ILE A 704 7.947 -6.545 6.502 1.00 0.00 C +ATOM 50 H ILE A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 51 HA ILE A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 52 HB ILE A 704 10.230 -5.920 4.844 1.00 0.00 H +ATOM 53 HG13 ILE A 704 7.862 -6.463 4.350 1.00 0.00 H +ATOM 54 HG12 ILE A 704 7.329 -5.047 5.080 1.00 0.00 H +ATOM 55 HG21 ILE A 704 9.875 -4.678 6.956 1.00 0.00 H +ATOM 56 HG22 ILE A 704 10.880 -3.767 5.803 1.00 0.00 H +ATOM 57 HG23 ILE A 704 9.170 -3.329 6.033 1.00 0.00 H +ATOM 58 HD11 ILE A 704 6.939 -6.955 6.562 1.00 0.00 H +ATOM 59 HD12 ILE A 704 8.673 -7.357 6.558 1.00 0.00 H +ATOM 60 HD13 ILE A 704 8.109 -5.857 7.332 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/LEU_3.mae b/test/PDB/BondsRestoring/LEU_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/LEU_3.mae @@ -0,0 +1,381 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + LEU3 + Structure + 0 + 279 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 278 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[60] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 L A 75 -0.50000 -0.50000 "LEU " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 L A 38 -0.30000 -0.30000 "LEU " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 L A 10 0.25000 0.25000 "LEU " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 L A 10 0.50000 0.50000 "LEU " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 L A 38 -0.50000 -0.50000 "LEU " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 L A 10 0.14000 0.14000 "LEU " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 L A 10 0.50000 0.50000 "LEU " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 L A 75 -0.50000 -0.50000 "LEU " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 L A 38 -0.50000 -0.50000 "LEU " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 L A 10 0.04000 0.04000 "LEU " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 L A 10 0.70000 0.70000 "LEU " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 L A 75 -0.80000 -0.80000 "LEU " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "LEU " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 3 17.243256 -5.497465 1.122448 702 L A 10 0.00000 0.00000 "LEU " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 3 17.426195 -4.585071 -0.115194 702 L A 10 0.00000 0.00000 "LEU " " CG " " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 -1 <> <> + 16 3 18.237225 -5.262159 -1.217563 702 L A 10 0.00000 0.00000 "LEU " " CD1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 3 16.071583 -4.125428 -0.653929 702 L A 10 0.00000 0.00000 "LEU " " CD2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 3 12.517151 -7.038987 1.367573 703 L A 10 0.00000 0.00000 "LEU " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 3 12.516185 -7.560679 -0.090345 703 L A 10 0.00000 0.00000 "LEU " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 -1 <> <> + 20 3 12.330136 -9.074492 -0.162373 703 L A 10 0.00000 0.00000 "LEU " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 -1 <> <> + 21 3 11.445587 -6.850673 -0.918714 703 L A 10 0.00000 0.00000 "LEU " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 -1 <> <> + 22 3 9.479205 -5.131189 4.878849 704 L A 10 0.00000 0.00000 "LEU " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 -1 <> <> + 23 3 8.231039 -5.875766 5.413053 704 L A 10 0.00000 0.00000 "LEU " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 -1 <> <> + 24 3 8.471686 -6.494628 6.788020 704 L A 10 0.00000 0.00000 "LEU " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 -1 <> <> + 25 3 7.019828 -4.944092 5.450935 704 L A 10 0.00000 0.00000 "LEU " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 -1 <> <> + 26 44 18.144641 -4.805768 3.503240 702 L A 21 0.00000 0.00000 "LEU " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 45 <> <> + 27 44 16.749240 -4.913557 4.375329 702 L A 21 0.00000 0.00000 "LEU " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 -1 <> <> + 28 44 17.400988 -6.265442 3.692004 702 L A 21 0.00000 0.00000 "LEU " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 -1 <> <> + 29 41 16.297161 -3.959271 2.261460 702 L A 21 0.00000 0.00000 "LEU " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 -1 <> <> + 30 43 14.257990 -4.277618 1.266790 703 L A 21 0.00000 0.00000 "LEU " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 31 41 12.295224 -5.033197 0.816483 703 L A 21 0.00000 0.00000 "LEU " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 -1 <> <> + 32 43 10.166444 -5.079505 1.687341 704 L A 21 0.00000 0.00000 "LEU " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 -1 <> <> + 33 41 8.544335 -4.749933 3.048741 704 L A 21 0.00000 0.00000 "LEU " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 -1 <> <> + 34 41 18.221537 -5.858104 1.440263 702 L A 21 0.00000 0.00000 "LEU " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 -1 <> <> + 35 41 16.840005 -6.455860 0.795388 702 L A 21 0.00000 0.00000 "LEU " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 -1 <> <> + 36 41 17.974680 -3.698801 0.203851 702 L A 21 0.00000 0.00000 "LEU " " HG " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 -1 <> <> + 37 41 18.338452 -4.583088 -2.064153 702 L A 21 0.00000 0.00000 "LEU " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 -1 <> <> + 38 41 19.226202 -5.517572 -0.837051 702 L A 21 0.00000 0.00000 "LEU " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 -1 <> <> + 39 41 17.726808 -6.169850 -1.539542 702 L A 21 0.00000 0.00000 "LEU " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 -1 <> <> + 40 41 16.223808 -3.485644 -1.523184 702 L A 21 0.00000 0.00000 "LEU " "HD21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 -1 <> <> + 41 41 15.480713 -4.994798 -0.942319 702 L A 21 0.00000 0.00000 "LEU " "HD22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 -1 <> <> + 42 41 15.542892 -3.567608 0.119002 702 L A 21 0.00000 0.00000 "LEU " "HD23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 43 41 13.245033 -7.609861 1.944106 703 L A 21 0.00000 0.00000 "LEU " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 -1 <> <> + 44 41 11.622061 -7.403741 1.871426 703 L A 21 0.00000 0.00000 "LEU " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 -1 <> <> + 45 41 13.485918 -7.324141 -0.528257 703 L A 21 0.00000 0.00000 "LEU " " HG " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 46 41 12.336307 -9.392642 -1.204890 703 L A 21 0.00000 0.00000 "LEU " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 47 41 13.142659 -9.566774 0.372010 703 L A 21 0.00000 0.00000 "LEU " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 48 41 11.378440 -9.346251 0.294269 703 L A 21 0.00000 0.00000 "LEU " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 49 41 11.462621 -7.232592 -1.939473 703 L A 21 0.00000 0.00000 "LEU " "HD21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 41 10.464953 -7.033353 -0.479301 703 L A 21 0.00000 0.00000 "LEU " "HD22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 41 11.644669 -5.779057 -0.928912 703 L A 21 0.00000 0.00000 "LEU " "HD23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 52 41 10.335874 -5.803485 4.926149 704 L A 21 0.00000 0.00000 "LEU " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 52 -1 <> <> + 53 41 9.815453 -4.422212 5.635413 704 L A 21 0.00000 0.00000 "LEU " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 53 -1 <> <> + 54 41 8.005371 -6.685653 4.719326 704 L A 21 0.00000 0.00000 "LEU " " HG " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 55 41 7.568003 -7.005580 7.120263 704 L A 21 0.00000 0.00000 "LEU " "HD11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 55 -1 <> <> + 56 41 9.291392 -7.210441 6.726428 704 L A 21 0.00000 0.00000 "LEU " "HD12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 56 -1 <> <> + 57 41 8.727696 -5.710272 7.500301 704 L A 21 0.00000 0.00000 "LEU " "HD13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 57 -1 <> <> + 58 41 6.154236 -5.487829 5.829353 704 L A 21 0.00000 0.00000 "LEU " "HD21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 58 -1 <> <> + 59 41 7.231578 -4.098463 6.105284 704 L A 21 0.00000 0.00000 "LEU " "HD22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 59 -1 <> <> + 60 41 6.808740 -4.580672 4.445217 704 L A 21 0.00000 0.00000 "LEU " "HD23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 60 -1 <> <> + ::: + } + m_bond[59] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 26 1 3 3 + 4 2 27 1 3 3 + 5 2 28 1 3 3 + 6 3 4 1 3 3 + 7 3 14 1 3 3 + 8 3 29 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 30 1 3 3 + 12 6 7 1 3 3 + 13 6 18 1 3 3 + 14 6 31 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 32 1 3 3 + 19 10 11 1 3 3 + 20 10 22 1 3 3 + 21 10 33 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 14 15 1 3 3 + 25 14 34 1 3 3 + 26 14 35 1 3 3 + 27 15 16 1 3 3 + 28 15 17 1 3 3 + 29 15 36 1 3 3 + 30 16 37 1 3 3 + 31 16 38 1 3 3 + 32 16 39 1 3 3 + 33 17 40 1 3 3 + 34 17 41 1 3 3 + 35 17 42 1 3 3 + 36 18 19 1 3 3 + 37 18 43 1 3 3 + 38 18 44 1 3 3 + 39 19 20 1 3 3 + 40 19 21 1 3 3 + 41 19 45 1 3 3 + 42 20 46 1 3 3 + 43 20 47 1 3 3 + 44 20 48 1 3 3 + 45 21 49 1 3 3 + 46 21 50 1 3 3 + 47 21 51 1 3 3 + 48 22 23 1 3 3 + 49 22 52 1 3 3 + 50 22 53 1 3 3 + 51 23 24 1 3 3 + 52 23 25 1 3 3 + 53 23 54 1 3 3 + 54 24 55 1 3 3 + 55 24 56 1 3 3 + 56 24 57 1 3 3 + 57 25 58 1 3 3 + 58 25 59 1 3 3 + 59 25 60 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/LEU_3.pdb b/test/PDB/BondsRestoring/LEU_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/LEU_3.pdb @@ -0,0 +1,84 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N LEU A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA LEU A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C LEU A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O LEU A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB LEU A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG LEU A 702 17.426 -4.585 -0.115 1.00 0.00 C +ATOM 7 CD1 LEU A 702 18.237 -5.262 -1.218 1.00 0.00 C +ATOM 8 CD2 LEU A 702 16.072 -4.125 -0.654 1.00 0.00 C +ATOM 9 H1 LEU A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 10 H2 LEU A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 11 H3 LEU A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 12 HA LEU A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 13 HB2 LEU A 702 18.222 -5.858 1.440 1.00 0.00 H +ATOM 14 HB3 LEU A 702 16.840 -6.456 0.795 1.00 0.00 H +ATOM 15 HG LEU A 702 17.975 -3.699 0.204 1.00 0.00 H +ATOM 16 HD11 LEU A 702 18.338 -4.583 -2.064 1.00 0.00 H +ATOM 17 HD12 LEU A 702 19.226 -5.518 -0.837 1.00 0.00 H +ATOM 18 HD13 LEU A 702 17.727 -6.170 -1.540 1.00 0.00 H +ATOM 19 HD21 LEU A 702 16.224 -3.486 -1.523 1.00 0.00 H +ATOM 20 HD22 LEU A 702 15.481 -4.995 -0.942 1.00 0.00 H +ATOM 21 HD23 LEU A 702 15.543 -3.568 0.119 1.00 0.00 H +ATOM 22 N LEU A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 23 CA LEU A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 24 C LEU A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 25 O LEU A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 26 CB LEU A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 27 CG LEU A 703 12.516 -7.561 -0.090 1.00 0.00 C +ATOM 28 CD1 LEU A 703 12.330 -9.074 -0.162 1.00 0.00 C +ATOM 29 CD2 LEU A 703 11.446 -6.851 -0.919 1.00 0.00 C +ATOM 30 H LEU A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 31 HA LEU A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 32 HB2 LEU A 703 13.245 -7.610 1.944 1.00 0.00 H +ATOM 33 HB3 LEU A 703 11.622 -7.404 1.871 1.00 0.00 H +ATOM 34 HG LEU A 703 13.486 -7.324 -0.528 1.00 0.00 H +ATOM 35 HD11 LEU A 703 12.336 -9.393 -1.205 1.00 0.00 H +ATOM 36 HD12 LEU A 703 13.143 -9.567 0.372 1.00 0.00 H +ATOM 37 HD13 LEU A 703 11.378 -9.346 0.294 1.00 0.00 H +ATOM 38 HD21 LEU A 703 11.463 -7.233 -1.939 1.00 0.00 H +ATOM 39 HD22 LEU A 703 10.465 -7.033 -0.479 1.00 0.00 H +ATOM 40 HD23 LEU A 703 11.645 -5.779 -0.929 1.00 0.00 H +ATOM 41 N LEU A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 42 CA LEU A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 43 C LEU A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 44 O LEU A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 45 OXT LEU A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 46 CB LEU A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 47 CG LEU A 704 8.231 -5.876 5.413 1.00 0.00 C +ATOM 48 CD1 LEU A 704 8.472 -6.495 6.788 1.00 0.00 C +ATOM 49 CD2 LEU A 704 7.020 -4.944 5.451 1.00 0.00 C +ATOM 50 H LEU A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 51 HA LEU A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 52 HB2 LEU A 704 10.336 -5.803 4.926 1.00 0.00 H +ATOM 53 HB3 LEU A 704 9.815 -4.422 5.635 1.00 0.00 H +ATOM 54 HG LEU A 704 8.005 -6.686 4.719 1.00 0.00 H +ATOM 55 HD11 LEU A 704 7.568 -7.006 7.120 1.00 0.00 H +ATOM 56 HD12 LEU A 704 9.291 -7.210 6.726 1.00 0.00 H +ATOM 57 HD13 LEU A 704 8.728 -5.710 7.500 1.00 0.00 H +ATOM 58 HD21 LEU A 704 6.154 -5.488 5.829 1.00 0.00 H +ATOM 59 HD22 LEU A 704 7.232 -4.098 6.105 1.00 0.00 H +ATOM 60 HD23 LEU A 704 6.809 -4.581 4.445 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/LYS_3.mae b/test/PDB/BondsRestoring/LYS_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/LYS_3.mae @@ -0,0 +1,399 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + LYS3 + Structure + 0 + 316 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[69] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 K A 75 -0.50000 -0.50000 "LYS " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 K A 38 -0.30000 -0.30000 "LYS " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 K A 10 0.25000 0.25000 "LYS " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 K A 10 0.50000 0.50000 "LYS " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 K A 38 -0.50000 -0.50000 "LYS " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 K A 10 0.14000 0.14000 "LYS " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 K A 10 0.50000 0.50000 "LYS " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 K A 75 -0.50000 -0.50000 "LYS " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 K A 38 -0.50000 -0.50000 "LYS " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 K A 10 0.04000 0.04000 "LYS " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 K A 10 0.70000 0.70000 "LYS " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 K A 75 -0.80000 -0.80000 "LYS " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "LYS " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 K A 21 0.00000 0.00000 "LYS " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 K A 21 0.00000 0.00000 "LYS " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 K A 21 0.00000 0.00000 "LYS " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 K A 21 0.00000 0.00000 "LYS " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 K A 21 0.00000 0.00000 "LYS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 K A 21 0.00000 0.00000 "LYS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 K A 21 0.00000 0.00000 "LYS " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 K A 21 0.00000 0.00000 "LYS " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 9.479205 -5.131189 4.878849 704 K A 2 0.00000 0.00000 "LYS " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 3 8.147191 -5.807200 5.217996 704 K A 2 0.00000 0.00000 "LYS " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 3 8.038360 -7.265173 4.754215 704 K A 2 0.00000 0.00000 "LYS " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 3 8.515608 -8.312277 5.769509 704 K A 2 0.00000 0.00000 "LYS " " CE " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 32 9.955689 -8.604918 5.661972 704 K A 43 0.00000 0.00000 "LYS " " NZ " " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 10.250063 -5.901735 4.890567 704 K A 21 0.00000 0.00000 "LYS " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 9.684506 -4.400671 5.661342 704 K A 21 0.00000 0.00000 "LYS " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 8.003722 -5.806862 6.298513 704 K A 21 0.00000 0.00000 "LYS " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 7.331277 -5.262014 4.743489 704 K A 21 0.00000 0.00000 "LYS " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 6.997078 -7.500055 4.533622 704 K A 21 0.00000 0.00000 "LYS " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 8.640363 -7.407401 3.856739 704 K A 21 0.00000 0.00000 "LYS " " HD3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 41 8.326284 -7.951529 6.780507 704 K A 21 0.00000 0.00000 "LYS " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 7.975893 -9.245811 5.610379 704 K A 21 0.00000 0.00000 "LYS " " HE3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 44 10.211407 -9.297376 6.351328 704 K A 21 0.00000 0.00000 "LYS " " HZ1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 44 10.159760 -8.958774 4.738262 704 K A 21 0.00000 0.00000 "LYS " " HZ2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 44 10.484435 -7.759486 5.822510 704 K A 21 0.00000 0.00000 "LYS " " HZ3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 3 12.517151 -7.038987 1.367573 703 K A 2 0.00000 0.00000 "LYS " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 3 12.545661 -7.343732 -0.133291 703 K A 2 0.00000 0.00000 "LYS " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 3 13.940999 -7.646039 -0.693883 703 K A 2 0.00000 0.00000 "LYS " " CD " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 3 14.352411 -9.124155 -0.663438 703 K A 2 0.00000 0.00000 "LYS " " CE " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 32 15.004050 -9.515191 0.598900 703 K A 43 0.00000 0.00000 "LYS " " NZ " " " 7 1 3 1 5757FF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 41 13.321876 -7.608217 1.832862 703 K A 21 0.00000 0.00000 "LYS " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 41 11.558151 -7.384222 1.753877 703 K A 21 0.00000 0.00000 "LYS " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 41 11.925585 -8.216190 -0.339258 703 K A 21 0.00000 0.00000 "LYS " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 41 12.161013 -6.486594 -0.685975 703 K A 21 0.00000 0.00000 "LYS " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 41 13.989918 -7.332566 -1.736687 703 K A 21 0.00000 0.00000 "LYS " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 41 14.690251 -7.104271 -0.116639 703 K A 21 0.00000 0.00000 "LYS " " HD3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 41 13.468861 -9.750379 -0.787059 703 K A 21 0.00000 0.00000 "LYS " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 15.054380 -9.323206 -1.473202 703 K A 21 0.00000 0.00000 "LYS " " HE3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 44 15.251523 -10.493691 0.561566 703 K A 21 0.00000 0.00000 "LYS " " HZ1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 44 15.838544 -8.962241 0.732936 703 K A 21 0.00000 0.00000 "LYS " " HZ2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 44 14.369394 -9.358063 1.368720 703 K A 21 0.00000 0.00000 "LYS " " HZ3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 3 17.243256 -5.497465 1.122448 702 K A 2 0.00000 0.00000 "LYS " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 55 3 17.306733 -4.445236 0.011116 702 K A 2 0.00000 0.00000 "LYS " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 56 3 18.510879 -3.499299 0.099747 702 K A 2 0.00000 0.00000 "LYS " " CD " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 57 3 19.767328 -3.967574 -0.646625 702 K A 2 0.00000 0.00000 "LYS " " CE " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 58 32 20.642412 -4.820569 0.176579 702 K A 43 0.00000 0.00000 "LYS " " NZ " " " 7 1 3 1 5757FF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 59 41 18.268112 -5.735544 1.407209 702 K A 21 0.00000 0.00000 "LYS " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 60 41 16.766766 -6.385139 0.706406 702 K A 21 0.00000 0.00000 "LYS " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 61 41 17.364631 -4.941971 -0.957390 702 K A 21 0.00000 0.00000 "LYS " " HG2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 62 41 16.412117 -3.823573 0.047123 702 K A 21 0.00000 0.00000 "LYS " " HG3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 63 41 18.243923 -2.530035 -0.321396 702 K A 21 0.00000 0.00000 "LYS " " HD2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 64 41 18.799390 -3.374374 1.143421 702 K A 21 0.00000 0.00000 "LYS " " HD3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 65 41 19.475417 -4.543625 -1.524721 702 K A 21 0.00000 0.00000 "LYS " " HE2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 66 41 20.349548 -3.100519 -0.958611 702 K A 21 0.00000 0.00000 "LYS " " HE3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 67 44 21.449297 -5.097147 -0.364293 702 K A 21 0.00000 0.00000 "LYS " " HZ1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 68 44 20.944304 -4.306452 0.991836 702 K A 21 0.00000 0.00000 "LYS " " HZ2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 69 44 20.134330 -5.643642 0.467275 702 K A 21 0.00000 0.00000 "LYS " " HZ3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[68] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 54 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 38 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 22 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 27 1 3 3 + 26 22 28 1 3 3 + 27 23 24 1 3 3 + 28 23 29 1 3 3 + 29 23 30 1 3 3 + 30 24 25 1 3 3 + 31 24 31 1 3 3 + 32 24 32 1 3 3 + 33 25 26 1 3 3 + 34 25 33 1 3 3 + 35 25 34 1 3 3 + 36 26 35 1 3 3 + 37 26 36 1 3 3 + 38 26 37 1 3 3 + 39 38 39 1 3 3 + 40 38 43 1 3 3 + 41 38 44 1 3 3 + 42 39 40 1 3 3 + 43 39 45 1 3 3 + 44 39 46 1 3 3 + 45 40 41 1 3 3 + 46 40 47 1 3 3 + 47 40 48 1 3 3 + 48 41 42 1 3 3 + 49 41 49 1 3 3 + 50 41 50 1 3 3 + 51 42 51 1 3 3 + 52 42 52 1 3 3 + 53 42 53 1 3 3 + 54 54 55 1 3 3 + 55 54 59 1 3 3 + 56 54 60 1 3 3 + 57 55 56 1 3 3 + 58 55 61 1 3 3 + 59 55 62 1 3 3 + 60 56 57 1 3 3 + 61 56 63 1 3 3 + 62 56 64 1 3 3 + 63 57 58 1 3 3 + 64 57 65 1 3 3 + 65 57 66 1 3 3 + 66 58 67 1 3 3 + 67 58 68 1 3 3 + 68 58 69 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/LYS_3.pdb b/test/PDB/BondsRestoring/LYS_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/LYS_3.pdb @@ -0,0 +1,93 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N LYS A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA LYS A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C LYS A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O LYS A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB LYS A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG LYS A 702 17.307 -4.445 0.011 1.00 0.00 C +ATOM 7 CD LYS A 702 18.511 -3.499 0.100 1.00 0.00 C +ATOM 8 CE LYS A 702 19.767 -3.968 -0.647 1.00 0.00 C +ATOM 9 NZ LYS A 702 20.642 -4.821 0.177 1.00 0.00 N1+ +ATOM 10 H1 LYS A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 11 H2 LYS A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 12 H3 LYS A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 13 HA LYS A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 14 HB2 LYS A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 15 HB3 LYS A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 16 HG2 LYS A 702 17.365 -4.942 -0.957 1.00 0.00 H +ATOM 17 HG3 LYS A 702 16.412 -3.824 0.047 1.00 0.00 H +ATOM 18 HD2 LYS A 702 18.244 -2.530 -0.321 1.00 0.00 H +ATOM 19 HD3 LYS A 702 18.799 -3.374 1.143 1.00 0.00 H +ATOM 20 HE2 LYS A 702 19.475 -4.544 -1.525 1.00 0.00 H +ATOM 21 HE3 LYS A 702 20.350 -3.101 -0.959 1.00 0.00 H +ATOM 22 HZ1 LYS A 702 21.449 -5.097 -0.364 1.00 0.00 H +ATOM 23 HZ2 LYS A 702 20.944 -4.306 0.992 1.00 0.00 H +ATOM 24 HZ3 LYS A 702 20.134 -5.644 0.467 1.00 0.00 H +ATOM 25 N LYS A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 26 CA LYS A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 27 C LYS A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 28 O LYS A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 29 CB LYS A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 30 CG LYS A 703 12.546 -7.344 -0.133 1.00 0.00 C +ATOM 31 CD LYS A 703 13.941 -7.646 -0.694 1.00 0.00 C +ATOM 32 CE LYS A 703 14.352 -9.124 -0.663 1.00 0.00 C +ATOM 33 NZ LYS A 703 15.004 -9.515 0.599 1.00 0.00 N1+ +ATOM 34 H LYS A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 35 HA LYS A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 36 HB2 LYS A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 37 HB3 LYS A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 38 HG2 LYS A 703 11.926 -8.216 -0.339 1.00 0.00 H +ATOM 39 HG3 LYS A 703 12.161 -6.487 -0.686 1.00 0.00 H +ATOM 40 HD2 LYS A 703 13.990 -7.333 -1.737 1.00 0.00 H +ATOM 41 HD3 LYS A 703 14.690 -7.104 -0.117 1.00 0.00 H +ATOM 42 HE2 LYS A 703 13.469 -9.750 -0.787 1.00 0.00 H +ATOM 43 HE3 LYS A 703 15.054 -9.323 -1.473 1.00 0.00 H +ATOM 44 HZ1 LYS A 703 15.252 -10.494 0.562 1.00 0.00 H +ATOM 45 HZ2 LYS A 703 15.839 -8.962 0.733 1.00 0.00 H +ATOM 46 HZ3 LYS A 703 14.369 -9.358 1.369 1.00 0.00 H +ATOM 47 N LYS A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 48 CA LYS A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 49 C LYS A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 50 O LYS A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 51 OXT LYS A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 52 CB LYS A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 53 CG LYS A 704 8.147 -5.807 5.218 1.00 0.00 C +ATOM 54 CD LYS A 704 8.038 -7.265 4.754 1.00 0.00 C +ATOM 55 CE LYS A 704 8.516 -8.312 5.770 1.00 0.00 C +ATOM 56 NZ LYS A 704 9.956 -8.605 5.662 1.00 0.00 N1+ +ATOM 57 H LYS A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 58 HA LYS A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 59 HB2 LYS A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 60 HB3 LYS A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 61 HG2 LYS A 704 8.004 -5.807 6.299 1.00 0.00 H +ATOM 62 HG3 LYS A 704 7.331 -5.262 4.743 1.00 0.00 H +ATOM 63 HD2 LYS A 704 6.997 -7.500 4.534 1.00 0.00 H +ATOM 64 HD3 LYS A 704 8.640 -7.407 3.857 1.00 0.00 H +ATOM 65 HE2 LYS A 704 8.326 -7.952 6.781 1.00 0.00 H +ATOM 66 HE3 LYS A 704 7.976 -9.246 5.610 1.00 0.00 H +ATOM 67 HZ1 LYS A 704 10.211 -9.297 6.351 1.00 0.00 H +ATOM 68 HZ2 LYS A 704 10.160 -8.959 4.738 1.00 0.00 H +ATOM 69 HZ3 LYS A 704 10.484 -7.759 5.823 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/MET_3.mae b/test/PDB/BondsRestoring/MET_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/MET_3.mae @@ -0,0 +1,369 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + MET3 + Structure + 0 + 324 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[54] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 M A 75 -0.50000 -0.50000 "MET " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 M A 38 -0.30000 -0.30000 "MET " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 M A 10 0.25000 0.25000 "MET " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 M A 10 0.50000 0.50000 "MET " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 M A 38 -0.50000 -0.50000 "MET " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 M A 10 0.14000 0.14000 "MET " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 M A 10 0.50000 0.50000 "MET " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 M A 75 -0.50000 -0.50000 "MET " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 M A 38 -0.50000 -0.50000 "MET " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 M A 10 0.04000 0.04000 "MET " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 M A 10 0.70000 0.70000 "MET " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 M A 75 -0.80000 -0.80000 "MET " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 M A 75 -0.80000 -0.80000 "MET " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 M A 21 0.00000 0.00000 "MET " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 M A 21 0.00000 0.00000 "MET " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 M A 21 0.00000 0.00000 "MET " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 M A 21 0.00000 0.00000 "MET " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 M A 21 0.00000 0.00000 "MET " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 M A 21 0.00000 0.00000 "MET " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 M A 21 0.00000 0.00000 "MET " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 M A 21 0.00000 0.00000 "MET " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 M A 2 0.00000 0.00000 "MET " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 3 17.374669 -4.524314 -0.061126 702 M A 2 0.00000 0.00000 "MET " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 49 18.292565 -5.064197 -1.526250 702 M A 13 0.00000 0.00000 "MET " " SD " " " 16 0 3 1 E1E11E "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 3 18.118578 -3.572067 -2.536891 702 M A 2 0.00000 0.00000 "MET " " CE " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 41 18.268112 -5.735544 1.407209 702 M A 21 0.00000 0.00000 "MET " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 16.766765 -6.385140 0.706406 702 M A 21 0.00000 0.00000 "MET " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.382764 -4.268213 -0.433463 702 M A 21 0.00000 0.00000 "MET " " HG2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 17.883907 -3.618355 0.267533 702 M A 21 0.00000 0.00000 "MET " " HG3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 18.626584 -3.717095 -3.490304 702 M A 21 0.00000 0.00000 "MET " " HE1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 17.061555 -3.374685 -2.715334 702 M A 21 0.00000 0.00000 "MET " " HE2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 18.562702 -2.724846 -2.014329 702 M A 21 0.00000 0.00000 "MET " " HE3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 3 12.517151 -7.038987 1.367573 703 M A 2 0.00000 0.00000 "MET " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 3 12.528917 -7.467180 -0.109468 703 M A 2 0.00000 0.00000 "MET " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 49 12.323791 -9.223450 -0.501948 703 M A 13 0.00000 0.00000 "MET " " SD " " " 16 0 3 1 E1E11E "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 3 12.417118 -9.124367 -2.307381 703 M A 2 0.00000 0.00000 "MET " " CE " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 41 13.321876 -7.608217 1.832862 703 M A 21 0.00000 0.00000 "MET " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 41 11.558150 -7.384222 1.753877 703 M A 21 0.00000 0.00000 "MET " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 41 11.718154 -6.967487 -0.639629 703 M A 21 0.00000 0.00000 "MET " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 41 13.481931 -7.191117 -0.560748 703 M A 21 0.00000 0.00000 "MET " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 41 12.309616 -10.122237 -2.732584 703 M A 21 0.00000 0.00000 "MET " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 41 11.617115 -8.483746 -2.678460 703 M A 21 0.00000 0.00000 "MET " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 41 13.380890 -8.707381 -2.599559 703 M A 21 0.00000 0.00000 "MET " " HE3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 3 9.479205 -5.131189 4.878849 704 M A 2 0.00000 0.00000 "MET " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 3 8.194332 -5.846445 5.329014 704 M A 2 0.00000 0.00000 "MET " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 49 8.185873 -6.676627 6.938773 704 M A 13 0.00000 0.00000 "MET " " SD " " " 16 0 3 1 E1E11E "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 3 6.489152 -7.308327 6.924273 704 M A 2 0.00000 0.00000 "MET " " CE " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 41 10.250063 -5.901735 4.890567 704 M A 21 0.00000 0.00000 "MET " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 41 9.684506 -4.400671 5.661342 704 M A 21 0.00000 0.00000 "MET " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 7.377296 -5.126986 5.383159 704 M A 21 0.00000 0.00000 "MET " " HG2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 41 7.942681 -6.627947 4.612057 704 M A 21 0.00000 0.00000 "MET " " HG3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 41 6.296566 -7.855091 7.847343 704 M A 21 0.00000 0.00000 "MET " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 41 5.791283 -6.474888 6.843915 704 M A 21 0.00000 0.00000 "MET " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 41 6.356688 -7.975842 6.072816 704 M A 21 0.00000 0.00000 "MET " " HE3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[53] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 33 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 44 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 26 1 3 3 + 26 22 27 1 3 3 + 27 23 24 1 3 3 + 28 23 28 1 3 3 + 29 23 29 1 3 3 + 30 24 25 1 3 3 + 31 25 30 1 3 3 + 32 25 31 1 3 3 + 33 25 32 1 3 3 + 34 33 34 1 3 3 + 35 33 37 1 3 3 + 36 33 38 1 3 3 + 37 34 35 1 3 3 + 38 34 39 1 3 3 + 39 34 40 1 3 3 + 40 35 36 1 3 3 + 41 36 41 1 3 3 + 42 36 42 1 3 3 + 43 36 43 1 3 3 + 44 44 45 1 3 3 + 45 44 48 1 3 3 + 46 44 49 1 3 3 + 47 45 46 1 3 3 + 48 45 50 1 3 3 + 49 45 51 1 3 3 + 50 46 47 1 3 3 + 51 47 52 1 3 3 + 52 47 53 1 3 3 + 53 47 54 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/MET_3.pdb b/test/PDB/BondsRestoring/MET_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/MET_3.pdb @@ -0,0 +1,78 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N MET A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA MET A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C MET A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O MET A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB MET A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG MET A 702 17.375 -4.524 -0.061 1.00 0.00 C +ATOM 7 SD MET A 702 18.293 -5.064 -1.526 1.00 0.00 S +ATOM 8 CE MET A 702 18.119 -3.572 -2.537 1.00 0.00 C +ATOM 9 H1 MET A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 10 H2 MET A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 11 H3 MET A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 12 HA MET A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 13 HB2 MET A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 14 HB3 MET A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 15 HG2 MET A 702 16.383 -4.268 -0.433 1.00 0.00 H +ATOM 16 HG3 MET A 702 17.884 -3.618 0.268 1.00 0.00 H +ATOM 17 HE1 MET A 702 18.627 -3.717 -3.490 1.00 0.00 H +ATOM 18 HE2 MET A 702 17.062 -3.375 -2.715 1.00 0.00 H +ATOM 19 HE3 MET A 702 18.563 -2.725 -2.014 1.00 0.00 H +ATOM 20 N MET A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 21 CA MET A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 22 C MET A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 23 O MET A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 24 CB MET A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 25 CG MET A 703 12.529 -7.467 -0.109 1.00 0.00 C +ATOM 26 SD MET A 703 12.324 -9.223 -0.502 1.00 0.00 S +ATOM 27 CE MET A 703 12.417 -9.124 -2.307 1.00 0.00 C +ATOM 28 H MET A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 29 HA MET A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 30 HB2 MET A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 31 HB3 MET A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 32 HG2 MET A 703 11.718 -6.967 -0.640 1.00 0.00 H +ATOM 33 HG3 MET A 703 13.482 -7.191 -0.561 1.00 0.00 H +ATOM 34 HE1 MET A 703 12.310 -10.122 -2.733 1.00 0.00 H +ATOM 35 HE2 MET A 703 11.617 -8.484 -2.678 1.00 0.00 H +ATOM 36 HE3 MET A 703 13.381 -8.707 -2.600 1.00 0.00 H +ATOM 37 N MET A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 38 CA MET A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 39 C MET A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 40 O MET A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 41 OXT MET A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 42 CB MET A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 43 CG MET A 704 8.194 -5.846 5.329 1.00 0.00 C +ATOM 44 SD MET A 704 8.186 -6.677 6.939 1.00 0.00 S +ATOM 45 CE MET A 704 6.489 -7.308 6.924 1.00 0.00 C +ATOM 46 H MET A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 47 HA MET A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 48 HB2 MET A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 49 HB3 MET A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 50 HG2 MET A 704 7.377 -5.127 5.383 1.00 0.00 H +ATOM 51 HG3 MET A 704 7.943 -6.628 4.612 1.00 0.00 H +ATOM 52 HE1 MET A 704 6.297 -7.855 7.847 1.00 0.00 H +ATOM 53 HE2 MET A 704 5.791 -6.475 6.844 1.00 0.00 H +ATOM 54 HE3 MET A 704 6.357 -7.976 6.073 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/PHE_3.mae b/test/PDB/BondsRestoring/PHE_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/PHE_3.mae @@ -0,0 +1,390 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + PHE3 + Structure + 0 + 285 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 284 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[63] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 F A 75 -0.50000 -0.50000 "PHE " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 F A 38 -0.30000 -0.30000 "PHE " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 F A 10 0.25000 0.25000 "PHE " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 F A 10 0.50000 0.50000 "PHE " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 F A 38 -0.50000 -0.50000 "PHE " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 F A 10 0.14000 0.14000 "PHE " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 F A 10 0.50000 0.50000 "PHE " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 F A 75 -0.50000 -0.50000 "PHE " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 F A 38 -0.50000 -0.50000 "PHE " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 F A 10 0.04000 0.04000 "PHE " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 F A 10 0.70000 0.70000 "PHE " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 F A 75 -0.80000 -0.80000 "PHE " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 F A 75 -0.80000 -0.80000 "PHE " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 3 17.243256 -5.497465 1.122448 702 F A 10 0.00000 0.00000 "PHE " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 2 17.336997 -4.495472 -0.007153 702 F A 10 0.00000 0.00000 "PHE " " CG " " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 62 <> <> + 16 2 18.409324 -3.586714 -0.049743 702 F A 10 0.00000 0.00000 "PHE " " CD1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 63 <> <> + 17 2 16.355192 -4.471225 -1.012504 702 F A 10 0.00000 0.00000 "PHE " " CD2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 67 <> <> + 18 2 18.502813 -2.658476 -1.100923 702 F A 10 0.00000 0.00000 "PHE " " CE1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 64 <> <> + 19 2 16.448489 -3.542058 -2.063994 702 F A 10 0.00000 0.00000 "PHE " " CE2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 66 <> <> + 20 2 17.522649 -2.635423 -2.107647 702 F A 10 0.00000 0.00000 "PHE " " CZ " " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 65 <> <> + 21 3 12.517151 -7.038987 1.367573 703 F A 10 0.00000 0.00000 "PHE " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 -1 <> <> + 22 2 12.537613 -7.396200 -0.102378 703 F A 10 0.00000 0.00000 "PHE " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 62 <> <> + 23 2 13.755726 -7.715170 -0.728476 703 F A 10 0.00000 0.00000 "PHE " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 63 <> <> + 24 2 11.342787 -7.409403 -0.842292 703 F A 10 0.00000 0.00000 "PHE " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 67 <> <> + 25 2 13.777641 -8.053350 -2.092478 703 F A 10 0.00000 0.00000 "PHE " " CE1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 64 <> <> + 26 2 11.364840 -7.747263 -2.207229 703 F A 10 0.00000 0.00000 "PHE " " CE2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 66 <> <> + 27 2 12.582905 -8.068989 -2.832144 703 F A 10 0.00000 0.00000 "PHE " " CZ " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 65 <> <> + 28 3 9.479205 -5.131189 4.878849 704 F A 10 0.00000 0.00000 "PHE " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 -1 <> <> + 29 2 8.186531 -5.816160 5.264314 704 F A 10 0.00000 0.00000 "PHE " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 62 <> <> + 30 2 7.975944 -7.161864 4.914635 704 F A 10 0.00000 0.00000 "PHE " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 63 <> <> + 31 2 7.196960 -5.110534 5.970076 704 F A 10 0.00000 0.00000 "PHE " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 67 <> <> + 32 2 6.778743 -7.803118 5.276365 704 F A 10 0.00000 0.00000 "PHE " " CE1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 64 <> <> + 33 2 5.998840 -5.752056 6.331525 704 F A 10 0.00000 0.00000 "PHE " " CE2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 66 <> <> + 34 2 5.789998 -7.098679 5.984105 704 F A 10 0.00000 0.00000 "PHE " " CZ " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 65 <> <> + 35 44 18.144641 -4.805768 3.503240 702 F A 21 0.00000 0.00000 "PHE " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 45 <> <> + 36 44 16.749240 -4.913557 4.375329 702 F A 21 0.00000 0.00000 "PHE " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 -1 <> <> + 37 44 17.400988 -6.265442 3.692004 702 F A 21 0.00000 0.00000 "PHE " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 -1 <> <> + 38 41 16.297161 -3.959271 2.261460 702 F A 21 0.00000 0.00000 "PHE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 -1 <> <> + 39 43 14.257990 -4.277618 1.266790 703 F A 21 0.00000 0.00000 "PHE " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 -1 <> <> + 40 41 12.295224 -5.033197 0.816483 703 F A 21 0.00000 0.00000 "PHE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 -1 <> <> + 41 43 10.166444 -5.079505 1.687341 704 F A 21 0.00000 0.00000 "PHE " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 -1 <> <> + 42 41 8.544335 -4.749933 3.048741 704 F A 21 0.00000 0.00000 "PHE " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 43 41 18.247472 -5.797122 1.422209 702 F A 21 0.00000 0.00000 "PHE " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 -1 <> <> + 44 41 16.803463 -6.421910 0.748170 702 F A 21 0.00000 0.00000 "PHE " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 -1 <> <> + 45 41 19.161214 -3.601993 0.725388 702 F A 21 0.00000 0.00000 "PHE " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 46 41 15.529183 -5.166123 -0.977497 702 F A 21 0.00000 0.00000 "PHE " " HD2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 47 41 19.328098 -1.962678 -1.135106 702 F A 21 0.00000 0.00000 "PHE " " HE1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 48 41 15.695293 -3.524827 -2.837814 702 F A 21 0.00000 0.00000 "PHE " " HE2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 49 41 17.594295 -1.921468 -2.914824 702 F A 21 0.00000 0.00000 "PHE " " HZ " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 41 13.284657 -7.611829 1.888040 703 F A 21 0.00000 0.00000 "PHE " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 41 11.588289 -7.396389 1.812072 703 F A 21 0.00000 0.00000 "PHE " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 52 41 14.674610 -7.700299 -0.161175 703 F A 21 0.00000 0.00000 "PHE " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 52 -1 <> <> + 53 41 10.407812 -7.160097 -0.362637 703 F A 21 0.00000 0.00000 "PHE " " HD2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 53 -1 <> <> + 54 41 14.712845 -8.301281 -2.572399 703 F A 21 0.00000 0.00000 "PHE " " HE1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 55 41 10.446439 -7.759626 -2.775373 703 F A 21 0.00000 0.00000 "PHE " " HE2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 55 -1 <> <> + 56 41 12.600166 -8.328074 -3.880465 703 F A 21 0.00000 0.00000 "PHE " " HZ " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 56 -1 <> <> + 57 41 10.293503 -5.855097 4.910077 704 F A 21 0.00000 0.00000 "PHE " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 57 -1 <> <> + 58 41 9.749547 -4.411360 5.651417 704 F A 21 0.00000 0.00000 "PHE " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 58 -1 <> <> + 59 41 8.734243 -7.702789 4.368025 704 F A 21 0.00000 0.00000 "PHE " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 59 -1 <> <> + 60 41 7.356692 -4.075731 6.234781 704 F A 21 0.00000 0.00000 "PHE " " HD2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 60 -1 <> <> + 61 41 6.618496 -8.837519 5.010401 704 F A 21 0.00000 0.00000 "PHE " " HE1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 61 -1 <> <> + 62 41 5.239281 -5.210569 6.875825 704 F A 21 0.00000 0.00000 "PHE " " HE2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 62 -1 <> <> + 63 41 4.869784 -7.591452 6.261197 704 F A 21 0.00000 0.00000 "PHE " " HZ " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 63 -1 <> <> + ::: + } + m_bond[65] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 35 1 3 3 + 4 2 36 1 3 3 + 5 2 37 1 3 3 + 6 3 4 1 3 3 + 7 3 14 1 3 3 + 8 3 38 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 39 1 3 3 + 12 6 7 1 3 3 + 13 6 21 1 3 3 + 14 6 40 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 41 1 3 3 + 19 10 11 1 3 3 + 20 10 28 1 3 3 + 21 10 42 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 14 15 1 3 3 + 25 14 43 1 3 3 + 26 14 44 1 3 3 + 27 15 16 2 3 3 + 28 15 17 1 3 3 + 29 16 18 1 3 3 + 30 16 45 1 3 3 + 31 17 19 2 3 3 + 32 17 46 1 3 3 + 33 18 20 2 3 3 + 34 18 47 1 3 3 + 35 19 20 1 3 3 + 36 19 48 1 3 3 + 37 20 49 1 3 3 + 38 21 22 1 3 3 + 39 21 50 1 3 3 + 40 21 51 1 3 3 + 41 22 23 2 3 3 + 42 22 24 1 3 3 + 43 23 25 1 3 3 + 44 23 52 1 3 3 + 45 24 26 2 3 3 + 46 24 53 1 3 3 + 47 25 27 2 3 3 + 48 25 54 1 3 3 + 49 26 27 1 3 3 + 50 26 55 1 3 3 + 51 27 56 1 3 3 + 52 28 29 1 3 3 + 53 28 57 1 3 3 + 54 28 58 1 3 3 + 55 29 30 2 3 3 + 56 29 31 1 3 3 + 57 30 32 1 3 3 + 58 30 59 1 3 3 + 59 31 33 2 3 3 + 60 31 60 1 3 3 + 61 32 34 2 3 3 + 62 32 61 1 3 3 + 63 33 34 1 3 3 + 64 33 62 1 3 3 + 65 34 63 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/PHE_3.pdb b/test/PDB/BondsRestoring/PHE_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/PHE_3.pdb @@ -0,0 +1,87 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N PHE A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA PHE A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C PHE A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O PHE A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB PHE A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG PHE A 702 17.337 -4.495 -0.007 1.00 0.00 C +ATOM 7 CD1 PHE A 702 18.409 -3.587 -0.050 1.00 0.00 C +ATOM 8 CD2 PHE A 702 16.355 -4.471 -1.013 1.00 0.00 C +ATOM 9 CE1 PHE A 702 18.503 -2.658 -1.101 1.00 0.00 C +ATOM 10 CE2 PHE A 702 16.448 -3.542 -2.064 1.00 0.00 C +ATOM 11 CZ PHE A 702 17.523 -2.635 -2.108 1.00 0.00 C +ATOM 12 H1 PHE A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 13 H2 PHE A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 14 H3 PHE A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 15 HA PHE A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 16 HB2 PHE A 702 18.247 -5.797 1.422 1.00 0.00 H +ATOM 17 HB3 PHE A 702 16.803 -6.422 0.748 1.00 0.00 H +ATOM 18 HD1 PHE A 702 19.161 -3.602 0.725 1.00 0.00 H +ATOM 19 HD2 PHE A 702 15.529 -5.166 -0.977 1.00 0.00 H +ATOM 20 HE1 PHE A 702 19.328 -1.963 -1.135 1.00 0.00 H +ATOM 21 HE2 PHE A 702 15.695 -3.525 -2.838 1.00 0.00 H +ATOM 22 HZ PHE A 702 17.594 -1.921 -2.915 1.00 0.00 H +ATOM 23 N PHE A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 24 CA PHE A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 25 C PHE A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 26 O PHE A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 27 CB PHE A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 28 CG PHE A 703 12.538 -7.396 -0.102 1.00 0.00 C +ATOM 29 CD1 PHE A 703 13.756 -7.715 -0.728 1.00 0.00 C +ATOM 30 CD2 PHE A 703 11.343 -7.409 -0.842 1.00 0.00 C +ATOM 31 CE1 PHE A 703 13.778 -8.053 -2.092 1.00 0.00 C +ATOM 32 CE2 PHE A 703 11.365 -7.747 -2.207 1.00 0.00 C +ATOM 33 CZ PHE A 703 12.583 -8.069 -2.832 1.00 0.00 C +ATOM 34 H PHE A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 35 HA PHE A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 36 HB2 PHE A 703 13.285 -7.612 1.888 1.00 0.00 H +ATOM 37 HB3 PHE A 703 11.588 -7.396 1.812 1.00 0.00 H +ATOM 38 HD1 PHE A 703 14.675 -7.700 -0.161 1.00 0.00 H +ATOM 39 HD2 PHE A 703 10.408 -7.160 -0.363 1.00 0.00 H +ATOM 40 HE1 PHE A 703 14.713 -8.301 -2.572 1.00 0.00 H +ATOM 41 HE2 PHE A 703 10.446 -7.760 -2.775 1.00 0.00 H +ATOM 42 HZ PHE A 703 12.600 -8.328 -3.880 1.00 0.00 H +ATOM 43 N PHE A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 44 CA PHE A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 45 C PHE A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 46 O PHE A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 47 OXT PHE A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 48 CB PHE A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 49 CG PHE A 704 8.187 -5.816 5.264 1.00 0.00 C +ATOM 50 CD1 PHE A 704 7.976 -7.162 4.915 1.00 0.00 C +ATOM 51 CD2 PHE A 704 7.197 -5.111 5.970 1.00 0.00 C +ATOM 52 CE1 PHE A 704 6.779 -7.803 5.276 1.00 0.00 C +ATOM 53 CE2 PHE A 704 5.999 -5.752 6.332 1.00 0.00 C +ATOM 54 CZ PHE A 704 5.790 -7.099 5.984 1.00 0.00 C +ATOM 55 H PHE A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 56 HA PHE A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 57 HB2 PHE A 704 10.294 -5.855 4.910 1.00 0.00 H +ATOM 58 HB3 PHE A 704 9.750 -4.411 5.651 1.00 0.00 H +ATOM 59 HD1 PHE A 704 8.734 -7.703 4.368 1.00 0.00 H +ATOM 60 HD2 PHE A 704 7.357 -4.076 6.235 1.00 0.00 H +ATOM 61 HE1 PHE A 704 6.618 -8.838 5.010 1.00 0.00 H +ATOM 62 HE2 PHE A 704 5.239 -5.211 6.876 1.00 0.00 H +ATOM 63 HZ PHE A 704 4.870 -7.591 6.261 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/PRO_3.mae b/test/PDB/BondsRestoring/PRO_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/PRO_3.mae @@ -0,0 +1,342 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + i_m_stars + s_m_entry_id + s_m_entry_name + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + i_m_ct_format + ::: + PRO3 + 0 + 67 + Structure + mmod_mini_1 + -467.678161621094 + 9.04596614837646 + 73.5888290405273 + 78.2311325073242 + 0.1353909522295 + 3.32707834243774 + -169.624328613281 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 338 + 1 + 1 + 1 + 1 + 1 + 1 + "/home/shehovtsov/ownCloud/SchResults/ChemNext/Hedge.prj/Untitled Folder/fixed_tripeptides" + PRO_3.mae + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.0456567071378231 + 1 + -462.382202148438 + 2 + m_depend[20] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 10 i_mmod_Serial_Number-OPLS-2005 + 20 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[45] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.210929 -3.765886 1.198079 702 P A 75 -0.50000 -0.50000 "PRO " " O " " " 8 0 3 1 FF5757 O1 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 16.310341 -5.455861 3.516660 702 P A 38 -0.20000 -0.20000 "PRO " " N " " " 7 1 3 1 2F2FFF N2 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 2 8 15 1 3 2 44 <> <> + 3 3 16.110447 -4.726615 2.247753 702 P A 10 0.23000 0.23000 "PRO " " CA " " " 6 0 3 1 1EE11E C3 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 14.683147 -4.811199 1.653671 702 P A 10 0.50000 0.50000 "PRO " " C " " " 6 0 3 1 1EE11E C4 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 13.970602 -5.972382 1.614343 703 P A 38 -0.14000 -0.14000 "PRO " " N " " c1" 7 0 3 1 2F2FFF N12 -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 0 12 <> <> <> 5 -1 <> <> + 6 3 12.598643 -6.029618 1.072286 703 P A 10 0.01000 0.01000 "PRO " " CA " " g0" 6 0 3 1 1EE11E C13 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.529383 -5.157319 1.786565 703 P A 10 0.50000 0.50000 "PRO " " C " " n1" 6 0 3 1 1EE11E C14 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 10.875603 -4.383017 1.080768 703 P A 75 -0.50000 -0.50000 "PRO " " O " " " 8 0 3 1 FF5757 O15 -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 11.318151 -5.225869 3.124640 704 P A 38 -0.14000 -0.14000 "PRO " " N " " c1" 7 0 3 1 2F2FFF N22 -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 0 22 <> <> <> 9 -1 <> <> + 10 3 10.385287 -4.325248 3.820657 704 P A 10 -0.09000 -0.09000 "PRO " " CA " " g0" 6 0 3 1 1EE11E C23 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 10.966095 -2.906473 3.979684 704 P A 10 0.70000 0.70000 "PRO " " C " " n1" 6 0 3 1 1EE11E C24 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 10.181992 -1.939370 3.897361 704 P A 75 -0.80000 -0.80000 "PRO " " O " " " 8 0 3 1 FF5757 O25 -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 12.185819 -2.760067 4.205008 704 P A 75 -0.80000 -0.80000 "PRO " " OXT" " n2" 8 -1 3 1 FF5757 O27 -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 16.235857 -4.811269 4.288040 702 P A 21 0.31000 0.31000 "PRO " " H2 " " " 1 0 3 1 FFFFFF H14 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 14 45 <> <> + 15 44 15.602165 -6.163119 3.619790 702 P A 21 0.31000 0.31000 "PRO " " H3 " " " 1 0 3 1 FFFFFF H15 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 15 -1 <> <> + 16 41 16.322765 -3.678201 2.464467 702 P A 21 0.06000 0.06000 "PRO " " HA " " " 1 0 3 0 FFFFFF H16 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 16 -1 <> <> + 17 41 12.658690 -5.651391 0.049207 703 P A 21 0.06000 0.06000 "PRO " " HA " " " 1 0 3 0 FFFFFF H17 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 17 -1 <> <> + 18 41 9.445451 -4.257685 3.267804 704 P A 21 0.06000 0.06000 "PRO " " HA " " " 1 0 3 0 FFFFFF H18 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 18 -1 <> <> + 19 3 17.643915 -6.093232 3.483425 702 P A 10 0.17000 0.17000 "PRO " " CD " " " 6 0 3 1 1EE11E C19 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 19 -1 <> <> + 20 3 17.182077 -5.241570 1.271836 702 P A 10 -0.12000 -0.12000 "PRO " " CB " " g1" 6 0 3 1 1EE11E C20 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 20 -1 <> <> + 21 3 18.331465 -5.648566 2.187070 702 P A 10 -0.12000 -0.12000 "PRO " " CG " " " 6 0 3 1 1EE11E C21 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 21 -1 <> <> + 22 41 18.232153 -5.832449 4.364261 702 P A 21 0.06000 0.06000 "PRO " " HD3" " " 1 0 3 0 FFFFFF H22 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 22 -1 <> <> + 23 41 17.512798 -7.176205 3.488741 702 P A 21 0.06000 0.06000 "PRO " " HD2" " " 1 0 3 0 FFFFFF H23 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 23 -1 <> <> + 24 41 16.834421 -6.106230 0.706810 702 P A 21 0.06000 0.06000 "PRO " " HB2" " " 1 0 3 0 FFFFFF H24 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 24 -1 <> <> + 25 41 17.478699 -4.481381 0.548189 702 P A 21 0.06000 0.06000 "PRO " " HB3" " " 1 0 3 0 FFFFFF H25 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 25 -1 <> <> + 26 41 18.961946 -4.781230 2.389053 702 P A 21 0.06000 0.06000 "PRO " " HG3" " " 1 0 3 0 FFFFFF H26 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 26 -1 <> <> + 27 41 18.966560 -6.424391 1.757809 702 P A 21 0.06000 0.06000 "PRO " " HG2" " " 1 0 3 0 FFFFFF H27 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 27 -1 <> <> + 28 3 14.437929 -7.318130 1.982113 703 P A 10 -0.05000 -0.05000 "PRO " " CD " " " 6 0 3 1 1EE11E C28 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 28 -1 <> <> + 29 3 12.217418 -7.515512 0.969283 703 P A 10 -0.12000 -0.12000 "PRO " " CB " " g1" 6 0 3 1 1EE11E C29 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 29 -1 <> <> + 30 3 13.278926 -8.289501 1.740579 703 P A 10 -0.12000 -0.12000 "PRO " " CG " " " 6 0 3 1 1EE11E C30 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 30 -1 <> <> + 31 41 15.284907 -7.604328 1.357767 703 P A 21 0.06000 0.06000 "PRO " " HD3" " " 1 0 3 0 FFFFFF H31 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 31 -1 <> <> + 32 41 14.746715 -7.396274 3.022882 703 P A 21 0.06000 0.06000 "PRO " " HD2" " " 1 0 3 1 FFFFFF H32 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 32 -1 <> <> + 33 41 11.212627 -7.729223 1.338132 703 P A 21 0.06000 0.06000 "PRO " " HB2" " " 1 0 3 0 FFFFFF H33 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 33 -1 <> <> + 34 41 12.234673 -7.820741 -0.077972 703 P A 21 0.06000 0.06000 "PRO " " HB3" " " 1 0 3 0 FFFFFF H34 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 34 -1 <> <> + 35 41 13.603318 -9.178906 1.198066 703 P A 21 0.06000 0.06000 "PRO " " HG3" " " 1 0 3 0 FFFFFF H35 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 35 -1 <> <> + 36 41 12.877048 -8.638723 2.691859 703 P A 21 0.06000 0.06000 "PRO " " HG2" " " 1 0 3 0 FFFFFF H36 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 36 -1 <> <> + 37 3 11.889497 -6.195341 4.065084 704 P A 10 -0.05000 -0.05000 "PRO " " CD " " " 6 0 3 1 1EE11E C37 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 37 -1 <> <> + 38 3 10.118724 -4.998956 5.177012 704 P A 10 -0.12000 -0.12000 "PRO " " CB " " g1" 6 0 3 1 1EE11E C38 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 38 -1 <> <> + 39 3 11.370956 -5.814010 5.453440 704 P A 10 -0.12000 -0.12000 "PRO " " CG " " " 6 0 3 1 1EE11E C39 -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 2 <> <> <> <> 39 -1 <> <> + 40 41 11.536514 -7.192785 3.804970 704 P A 21 0.06000 0.06000 "PRO " " HD3" " " 1 0 3 0 FFFFFF H40 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 40 -1 <> <> + 41 41 12.976584 -6.194108 4.061871 704 P A 21 0.06000 0.06000 "PRO " " HD2" " " 1 0 3 1 FFFFFF H41 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 41 -1 <> <> + 42 41 9.895600 -4.290298 5.976543 704 P A 21 0.06000 0.06000 "PRO " " HB2" " " 1 0 3 0 FFFFFF H42 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 42 -1 <> <> + 43 41 9.260262 -5.665815 5.087229 704 P A 21 0.06000 0.06000 "PRO " " HB3" " " 1 0 3 0 FFFFFF H43 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 43 -1 <> <> + 44 41 11.184384 -6.680324 6.089682 704 P A 21 0.06000 0.06000 "PRO " " HG3" " " 1 0 3 0 FFFFFF H44 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 44 -1 <> <> + 45 41 12.106841 -5.186680 5.959328 704 P A 21 0.06000 0.06000 "PRO " " HG2" " " 1 0 3 0 FFFFFF H45 -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 <> <> <> <> 45 -1 <> <> + ::: + } + m_bond[47] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 19 1 1 1 + 6 3 4 1 3 3 + 7 3 16 1 3 3 + 8 3 20 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 28 1 1 1 + 12 6 7 1 3 3 + 13 6 17 1 3 3 + 14 6 29 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 37 1 1 1 + 19 10 11 1 3 3 + 20 10 18 1 3 3 + 21 10 38 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 19 21 1 3 3 + 25 19 22 1 3 3 + 26 19 23 1 3 3 + 27 20 21 1 3 3 + 28 20 24 1 3 3 + 29 20 25 1 3 3 + 30 21 26 1 3 3 + 31 21 27 1 3 3 + 32 28 30 1 3 3 + 33 28 31 1 3 3 + 34 28 32 1 3 3 + 35 29 30 1 3 3 + 36 29 33 1 3 3 + 37 29 34 1 3 3 + 38 30 35 1 3 3 + 39 30 36 1 3 3 + 40 37 39 1 3 3 + 41 37 40 1 3 3 + 42 37 41 1 3 3 + 43 38 39 1 3 3 + 44 38 42 1 3 3 + 45 38 43 1 3 3 + 46 39 44 1 3 3 + 47 39 45 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/PRO_3.pdb b/test/PDB/BondsRestoring/PRO_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/PRO_3.pdb @@ -0,0 +1,69 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N PRO A 702 16.310 -5.456 3.517 1.00 39.05 N1+ +ATOM 2 CA PRO A 702 16.110 -4.727 2.248 1.00 38.59 C +ATOM 3 C PRO A 702 14.683 -4.811 1.654 1.00 38.18 C +ATOM 4 O PRO A 702 14.211 -3.766 1.198 1.00 38.22 O +ATOM 5 CD PRO A 702 17.644 -6.093 3.483 1.00 0.00 C +ATOM 6 CB PRO A 702 17.182 -5.242 1.272 1.00 0.00 C +ATOM 7 CG PRO A 702 18.331 -5.649 2.187 1.00 0.00 C +ATOM 8 H2 PRO A 702 16.236 -4.811 4.288 1.00 0.00 H +ATOM 9 H3 PRO A 702 15.602 -6.163 3.620 1.00 0.00 H +ATOM 10 HA PRO A 702 16.323 -3.678 2.464 1.00 0.00 H +ATOM 11 HD3 PRO A 702 18.232 -5.832 4.364 1.00 0.00 H +ATOM 12 HD2 PRO A 702 17.513 -7.176 3.489 1.00 0.00 H +ATOM 13 HB2 PRO A 702 16.834 -6.106 0.707 1.00 0.00 H +ATOM 14 HB3 PRO A 702 17.479 -4.481 0.548 1.00 0.00 H +ATOM 15 HG3 PRO A 702 18.962 -4.781 2.389 1.00 0.00 H +ATOM 16 HG2 PRO A 702 18.967 -6.424 1.758 1.00 0.00 H +ATOM 17 N PRO A 703 13.971 -5.972 1.614 1.00 0.00 N +ATOM 18 CA PRO A 703 12.599 -6.030 1.072 1.00 0.00 C +ATOM 19 C PRO A 703 11.529 -5.157 1.787 1.00 0.00 C +ATOM 20 O PRO A 703 10.876 -4.383 1.081 1.00 0.00 O +ATOM 21 CD PRO A 703 14.438 -7.318 1.982 1.00 0.00 C +ATOM 22 CB PRO A 703 12.217 -7.516 0.969 1.00 0.00 C +ATOM 23 CG PRO A 703 13.279 -8.290 1.741 1.00 0.00 C +ATOM 24 HA PRO A 703 12.659 -5.651 0.049 1.00 0.00 H +ATOM 25 HD3 PRO A 703 15.285 -7.604 1.358 1.00 0.00 H +ATOM 26 HD2 PRO A 703 14.747 -7.396 3.023 1.00 0.00 H +ATOM 27 HB2 PRO A 703 11.213 -7.729 1.338 1.00 0.00 H +ATOM 28 HB3 PRO A 703 12.235 -7.821 -0.078 1.00 0.00 H +ATOM 29 HG3 PRO A 703 13.603 -9.179 1.198 1.00 0.00 H +ATOM 30 HG2 PRO A 703 12.877 -8.639 2.692 1.00 0.00 H +ATOM 31 N PRO A 704 11.318 -5.226 3.125 1.00 0.00 N +ATOM 32 CA PRO A 704 10.385 -4.325 3.821 1.00 0.00 C +ATOM 33 C PRO A 704 10.966 -2.906 3.980 1.00 0.00 C +ATOM 34 O PRO A 704 10.182 -1.939 3.897 1.00 0.00 O +ATOM 35 OXT PRO A 704 12.186 -2.760 4.205 1.00 0.00 O1- +ATOM 36 CD PRO A 704 11.889 -6.195 4.065 1.00 0.00 C +ATOM 37 CB PRO A 704 10.119 -4.999 5.177 1.00 0.00 C +ATOM 38 CG PRO A 704 11.371 -5.814 5.453 1.00 0.00 C +ATOM 39 HA PRO A 704 9.445 -4.258 3.268 1.00 0.00 H +ATOM 40 HD3 PRO A 704 11.537 -7.193 3.805 1.00 0.00 H +ATOM 41 HD2 PRO A 704 12.977 -6.194 4.062 1.00 0.00 H +ATOM 42 HB2 PRO A 704 9.896 -4.290 5.977 1.00 0.00 H +ATOM 43 HB3 PRO A 704 9.260 -5.666 5.087 1.00 0.00 H +ATOM 44 HG3 PRO A 704 11.184 -6.680 6.090 1.00 0.00 H +ATOM 45 HG2 PRO A 704 12.107 -5.187 5.959 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/SER_3.mae b/test/PDB/BondsRestoring/SER_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/SER_3.mae @@ -0,0 +1,333 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + SER3 + Structure + 0 + 318 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[36] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 S A 75 -0.50000 -0.50000 "SER " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 S A 38 -0.30000 -0.30000 "SER " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 S A 10 0.25000 0.25000 "SER " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 S A 10 0.50000 0.50000 "SER " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 S A 38 -0.50000 -0.50000 "SER " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 S A 10 0.14000 0.14000 "SER " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 S A 10 0.50000 0.50000 "SER " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 S A 75 -0.50000 -0.50000 "SER " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 S A 38 -0.50000 -0.50000 "SER " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 S A 10 0.04000 0.04000 "SER " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 S A 10 0.70000 0.70000 "SER " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 S A 75 -0.80000 -0.80000 "SER " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 X A 75 -0.80000 -0.80000 "SER " "OXT " " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 S A 21 0.00000 0.00000 "SER " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 S A 21 0.00000 0.00000 "SER " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 S A 21 0.00000 0.00000 "SER " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 S A 21 0.00000 0.00000 "SER " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 S A 21 0.00000 0.00000 "SER " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 S A 21 0.00000 0.00000 "SER " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 S A 21 0.00000 0.00000 "SER " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 S A 21 0.00000 0.00000 "SER " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 S A 2 0.00000 0.00000 "SER " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 16 17.256617 -4.461087 0.133173 702 S A 70 0.00000 0.00000 "SER " " OG " " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 41 18.268112 -5.735544 1.407209 702 S A 21 0.00000 0.00000 "SER " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 41 16.766766 -6.385140 0.706405 702 S A 21 0.00000 0.00000 "SER " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 42 17.745428 -4.759722 -0.637205 702 S A 21 0.00000 0.00000 "SER " " HG " " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 3 12.517151 -7.038987 1.367573 703 S A 2 0.00000 0.00000 "SER " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 16 12.555105 -7.240188 -0.050525 703 S A 70 0.00000 0.00000 "SER " " OG " " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 13.321876 -7.608217 1.832862 703 S A 21 0.00000 0.00000 "SER " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 11.558150 -7.384222 1.753877 703 S A 21 0.00000 0.00000 "SER " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 42 12.445222 -8.173887 -0.244769 703 S A 21 0.00000 0.00000 "SER " " HG " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 3 9.479205 -5.131189 4.878849 704 S A 2 0.00000 0.00000 "SER " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 16 8.203067 -5.736131 5.120590 704 S A 70 0.00000 0.00000 "SER " " OG " " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 10.250063 -5.901734 4.890567 704 S A 21 0.00000 0.00000 "SER " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 41 9.684506 -4.400671 5.661342 704 S A 21 0.00000 0.00000 "SER " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 42 8.211908 -6.171988 5.975898 704 S A 21 0.00000 0.00000 "SER " " HG " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[35] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 27 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 32 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 24 1 3 3 + 26 22 25 1 3 3 + 27 23 26 1 3 3 + 28 27 28 1 3 3 + 29 27 29 1 3 3 + 30 27 30 1 3 3 + 31 28 31 1 3 3 + 32 32 33 1 3 3 + 33 32 34 1 3 3 + 34 32 35 1 3 3 + 35 33 36 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/SER_3.pdb b/test/PDB/BondsRestoring/SER_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/SER_3.pdb @@ -0,0 +1,62 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N SER A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA SER A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C SER A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O SER A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB SER A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 OG SER A 702 17.257 -4.461 0.133 1.00 0.00 O +ATOM 7 H1 SER A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 8 H2 SER A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 9 H3 SER A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 10 HA SER A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 11 HB2 SER A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 12 HB3 SER A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 13 HG SER A 702 17.745 -4.760 -0.637 1.00 0.00 H +ATOM 14 N SER A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 15 CA SER A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 16 C SER A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 17 O SER A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 18 CB SER A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 19 OG SER A 703 12.555 -7.240 -0.051 1.00 0.00 O +ATOM 20 H SER A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 21 HA SER A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 22 HB2 SER A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 23 HB3 SER A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 24 HG SER A 703 12.445 -8.174 -0.245 1.00 0.00 H +ATOM 25 N SER A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 26 CA SER A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 27 C SER A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 28 O SER A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 29 OXT SER A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 30 CB SER A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 31 OG SER A 704 8.203 -5.736 5.121 1.00 0.00 O +ATOM 32 H SER A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 33 HA SER A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 34 HB2 SER A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 35 HB3 SER A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 36 HG SER A 704 8.212 -6.172 5.976 1.00 0.00 H +CONECT 27 29 +CONECT 29 27 +ENDMDL +END diff --git a/test/PDB/BondsRestoring/THR_3.mae b/test/PDB/BondsRestoring/THR_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/THR_3.mae @@ -0,0 +1,351 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + THR3 + Structure + 0 + 320 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[45] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 T A 75 -0.50000 -0.50000 "THR " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 T A 38 -0.30000 -0.30000 "THR " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 T A 10 0.25000 0.25000 "THR " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 T A 10 0.50000 0.50000 "THR " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 T A 38 -0.50000 -0.50000 "THR " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 T A 10 0.14000 0.14000 "THR " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 T A 10 0.50000 0.50000 "THR " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 T A 75 -0.50000 -0.50000 "THR " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 T A 38 -0.50000 -0.50000 "THR " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 T A 10 0.04000 0.04000 "THR " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 T A 10 0.70000 0.70000 "THR " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 T A 75 -0.80000 -0.80000 "THR " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 T A 75 -0.80000 -0.80000 "THR " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 T A 21 0.00000 0.00000 "THR " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 T A 21 0.00000 0.00000 "THR " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 T A 21 0.00000 0.00000 "THR " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 T A 21 0.00000 0.00000 "THR " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 T A 21 0.00000 0.00000 "THR " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 T A 21 0.00000 0.00000 "THR " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 T A 21 0.00000 0.00000 "THR " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 T A 21 0.00000 0.00000 "THR " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 T A 2 0.00000 0.00000 "THR " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 16 17.244935 -4.449344 0.147315 702 T A 70 0.00000 0.00000 "THR " " OG1" " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 3 16.666120 -6.766120 0.482716 702 T A 2 0.00000 0.00000 "THR " " CG2" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 41 18.261293 -5.758438 1.411577 702 T A 21 0.00000 0.00000 "THR " " HB " " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 42 17.731206 -4.735154 -0.629509 702 T A 21 0.00000 0.00000 "THR " " HG1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 41 17.265281 -7.040743 -0.385437 702 T A 21 0.00000 0.00000 "THR " "HG21" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 41 16.683900 -7.579706 1.207880 702 T A 21 0.00000 0.00000 "THR " "HG22" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 41 15.638389 -6.580904 0.170363 702 T A 21 0.00000 0.00000 "THR " "HG23" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 3 12.517151 -7.038987 1.367573 703 T A 2 0.00000 0.00000 "THR " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 16 12.557912 -7.218648 -0.052112 703 T A 70 0.00000 0.00000 "THR " " OG1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 3 11.205755 -7.627346 1.902270 703 T A 2 0.00000 0.00000 "THR " " CG2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 41 13.308147 -7.610881 1.852716 703 T A 21 0.00000 0.00000 "THR " " HB " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 42 12.449043 -8.149392 -0.260594 703 T A 21 0.00000 0.00000 "THR " " HG1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 41 11.147268 -8.683707 1.640008 703 T A 21 0.00000 0.00000 "THR " "HG21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 41 11.174397 -7.520436 2.986561 703 T A 21 0.00000 0.00000 "THR " "HG22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 41 10.362184 -7.096672 1.460824 703 T A 21 0.00000 0.00000 "THR " "HG23" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 3 9.479205 -5.131189 4.878849 704 T A 2 0.00000 0.00000 "THR " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 16 8.197227 -5.728330 5.101113 704 T A 70 0.00000 0.00000 "THR " " OG1" " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 3 9.793236 -4.187232 6.045964 704 T A 2 0.00000 0.00000 "THR " " CG2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 41 10.265929 -5.885353 4.898913 704 T A 21 0.00000 0.00000 "THR " " HB " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 42 8.192248 -6.168322 5.954332 704 T A 21 0.00000 0.00000 "THR " " HG1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 41 9.779679 -4.747505 6.980850 704 T A 21 0.00000 0.00000 "THR " "HG21" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 41 10.779396 -3.745880 5.901751 704 T A 21 0.00000 0.00000 "THR " "HG22" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 41 9.044152 -3.396429 6.086011 704 T A 21 0.00000 0.00000 "THR " "HG23" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[44] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 30 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 38 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 24 1 3 3 + 26 22 25 1 3 3 + 27 23 26 1 3 3 + 28 24 27 1 3 3 + 29 24 28 1 3 3 + 30 24 29 1 3 3 + 31 30 31 1 3 3 + 32 30 32 1 3 3 + 33 30 33 1 3 3 + 34 31 34 1 3 3 + 35 32 35 1 3 3 + 36 32 36 1 3 3 + 37 32 37 1 3 3 + 38 38 39 1 3 3 + 39 38 40 1 3 3 + 40 38 41 1 3 3 + 41 39 42 1 3 3 + 42 40 43 1 3 3 + 43 40 44 1 3 3 + 44 40 45 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/THR_3.pdb b/test/PDB/BondsRestoring/THR_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/THR_3.pdb @@ -0,0 +1,69 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N THR A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA THR A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C THR A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O THR A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB THR A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 OG1 THR A 702 17.245 -4.449 0.147 1.00 0.00 O +ATOM 7 CG2 THR A 702 16.666 -6.766 0.483 1.00 0.00 C +ATOM 8 H1 THR A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 9 H2 THR A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 10 H3 THR A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 11 HA THR A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 12 HB THR A 702 18.261 -5.758 1.412 1.00 0.00 H +ATOM 13 HG1 THR A 702 17.731 -4.735 -0.630 1.00 0.00 H +ATOM 14 HG21 THR A 702 17.265 -7.041 -0.385 1.00 0.00 H +ATOM 15 HG22 THR A 702 16.684 -7.580 1.208 1.00 0.00 H +ATOM 16 HG23 THR A 702 15.638 -6.581 0.170 1.00 0.00 H +ATOM 17 N THR A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 18 CA THR A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 19 C THR A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 20 O THR A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 21 CB THR A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 22 OG1 THR A 703 12.558 -7.219 -0.052 1.00 0.00 O +ATOM 23 CG2 THR A 703 11.206 -7.627 1.902 1.00 0.00 C +ATOM 24 H THR A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 25 HA THR A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 26 HB THR A 703 13.308 -7.611 1.853 1.00 0.00 H +ATOM 27 HG1 THR A 703 12.449 -8.149 -0.261 1.00 0.00 H +ATOM 28 HG21 THR A 703 11.147 -8.684 1.640 1.00 0.00 H +ATOM 29 HG22 THR A 703 11.174 -7.520 2.987 1.00 0.00 H +ATOM 30 HG23 THR A 703 10.362 -7.097 1.461 1.00 0.00 H +ATOM 31 N THR A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 32 CA THR A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 33 C THR A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 34 O THR A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 35 OXT THR A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 36 CB THR A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 37 OG1 THR A 704 8.197 -5.728 5.101 1.00 0.00 O +ATOM 38 CG2 THR A 704 9.793 -4.187 6.046 1.00 0.00 C +ATOM 39 H THR A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 40 HA THR A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 41 HB THR A 704 10.266 -5.885 4.899 1.00 0.00 H +ATOM 42 HG1 THR A 704 8.192 -6.168 5.954 1.00 0.00 H +ATOM 43 HG21 THR A 704 9.780 -4.748 6.981 1.00 0.00 H +ATOM 44 HG22 THR A 704 10.779 -3.746 5.902 1.00 0.00 H +ATOM 45 HG23 THR A 704 9.044 -3.396 6.086 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/TRP_3.mae b/test/PDB/BondsRestoring/TRP_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/TRP_3.mae @@ -0,0 +1,417 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + TRP3 + Structure + 0 + 288 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[75] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 W A 75 -0.50000 -0.50000 "TRP " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 W A 38 -0.30000 -0.30000 "TRP " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 W A 10 0.25000 0.25000 "TRP " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 W A 10 0.50000 0.50000 "TRP " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 W A 38 -0.50000 -0.50000 "TRP " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 W A 10 0.14000 0.14000 "TRP " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 W A 10 0.50000 0.50000 "TRP " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 W A 75 -0.50000 -0.50000 "TRP " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 W A 38 -0.50000 -0.50000 "TRP " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 W A 10 0.04000 0.04000 "TRP " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 W A 10 0.70000 0.70000 "TRP " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 W A 75 -0.80000 -0.80000 "TRP " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 W A 75 -0.80000 -0.80000 "TRP " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 3 17.243256 -5.497465 1.122448 702 W A 10 0.00000 0.00000 "TRP " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 2 17.359177 -4.534178 -0.018792 702 W A 10 0.00000 0.00000 "TRP " " CG " " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 36 <> <> + 16 2 18.351154 -3.628888 -0.179269 702 W A 10 0.00000 0.00000 "TRP " " CD1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 35 <> <> + 17 2 16.465383 -4.368155 -1.161062 702 W A 10 0.00000 0.00000 "TRP " " CD2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 37 <> <> + 18 25 18.126907 -2.911346 -1.338458 702 W A 38 0.00000 0.00000 "TRP " " NE1" " " 7 0 3 1 2F2FFF "" 0 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 33 <> <> + 19 2 16.978500 -3.323588 -1.981437 702 W A 10 0.00000 0.00000 "TRP " " CE2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 38 <> <> + 20 2 15.278665 -4.993973 -1.590999 702 W A 10 0.00000 0.00000 "TRP " " CE3" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 67 <> <> + 21 2 16.341573 -2.914482 -3.162849 702 W A 10 0.00000 0.00000 "TRP " " CZ2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 64 <> <> + 22 2 14.627505 -4.593065 -2.771949 702 W A 10 0.00000 0.00000 "TRP " " CZ3" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 66 <> <> + 23 2 15.155517 -3.554485 -3.558040 702 W A 10 0.00000 0.00000 "TRP " " CH2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 65 <> <> + 24 3 12.517151 -7.038987 1.367573 703 W A 10 0.00000 0.00000 "TRP " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 -1 <> <> + 25 2 12.531641 -7.434336 -0.077168 703 W A 10 0.00000 0.00000 "TRP " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 36 <> <> + 26 2 13.633402 -7.779629 -0.781593 703 W A 10 0.00000 0.00000 "TRP " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 35 <> <> + 27 2 11.407314 -7.530785 -1.003342 703 W A 10 0.00000 0.00000 "TRP " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 37 <> <> + 28 25 13.266741 -8.075822 -2.080324 703 W A 38 0.00000 0.00000 "TRP " " NE1" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 33 <> <> + 29 2 11.908108 -7.937030 -2.272828 703 W A 10 0.00000 0.00000 "TRP " " CE2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 38 <> <> + 30 2 10.017760 -7.322059 -0.901530 703 W A 10 0.00000 0.00000 "TRP " " CE3" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 67 <> <> + 31 2 11.074130 -8.117631 -3.386670 703 W A 10 0.00000 0.00000 "TRP " " CZ2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 64 <> <> + 32 2 9.169335 -7.496838 -2.010136 703 W A 10 0.00000 0.00000 "TRP " " CZ3" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 66 <> <> + 33 2 9.694274 -7.893044 -3.252248 703 W A 10 0.00000 0.00000 "TRP " " CH2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 65 <> <> + 34 3 9.479205 -5.131189 4.878849 704 W A 10 0.00000 0.00000 "TRP " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 -1 <> <> + 35 2 8.217671 -5.821656 5.297865 704 W A 10 0.00000 0.00000 "TRP " " CG " " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 36 <> <> + 36 2 7.910689 -7.113059 5.038325 704 W A 10 0.00000 0.00000 "TRP " " CD1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 35 <> <> + 37 2 7.090098 -5.276071 6.047618 704 W A 10 0.00000 0.00000 "TRP " " CD2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 37 <> <> + 38 25 6.668306 -7.399502 5.570593 704 W A 38 0.00000 0.00000 "TRP " " NE1" " " 7 0 3 1 2F2FFF "" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 33 <> <> + 39 2 6.116822 -6.303947 6.201329 704 W A 10 0.00000 0.00000 "TRP " " CE2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 38 <> <> + 40 2 6.791133 -4.022592 6.617008 704 W A 10 0.00000 0.00000 "TRP " " CE3" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 67 <> <> + 41 2 4.904840 -6.096004 6.877079 704 W A 10 0.00000 0.00000 "TRP " " CZ2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 64 <> <> + 42 2 5.579112 -3.798420 7.295340 704 W A 10 0.00000 0.00000 "TRP " " CZ3" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 66 <> <> + 43 2 4.635218 -4.831588 7.425774 704 W A 10 0.00000 0.00000 "TRP " " CH2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 65 <> <> + 44 44 18.144641 -4.805768 3.503240 702 W A 21 0.00000 0.00000 "TRP " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 45 44 16.749240 -4.913557 4.375329 702 W A 21 0.00000 0.00000 "TRP " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 46 44 17.400988 -6.265442 3.692004 702 W A 21 0.00000 0.00000 "TRP " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 47 41 16.297161 -3.959271 2.261460 702 W A 21 0.00000 0.00000 "TRP " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 48 43 14.257990 -4.277618 1.266790 703 W A 21 0.00000 0.00000 "TRP " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 49 41 12.295224 -5.033197 0.816483 703 W A 21 0.00000 0.00000 "TRP " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 43 10.166444 -5.079505 1.687341 704 W A 21 0.00000 0.00000 "TRP " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 41 8.544335 -4.749933 3.048741 704 W A 21 0.00000 0.00000 "TRP " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 52 41 18.240916 -5.813939 1.426783 702 W A 21 0.00000 0.00000 "TRP " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 52 -1 <> <> + 53 41 16.813556 -6.431523 0.760516 702 W A 21 0.00000 0.00000 "TRP " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 53 -1 <> <> + 54 41 19.146188 -3.564211 0.548836 702 W A 21 0.00000 0.00000 "TRP " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 54 -1 <> <> + 55 43 18.772520 -2.186017 -1.616274 702 W A 21 0.00000 0.00000 "TRP " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 55 34 <> <> + 56 41 14.851469 -5.798312 -1.010532 702 W A 21 0.00000 0.00000 "TRP " " HE3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 56 -1 <> <> + 57 41 16.764042 -2.116701 -3.755695 702 W A 21 0.00000 0.00000 "TRP " " HZ2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 57 -1 <> <> + 58 41 13.716086 -5.084152 -3.079439 702 W A 21 0.00000 0.00000 "TRP " " HZ3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 58 -1 <> <> + 59 41 14.652392 -3.248144 -4.463259 702 W A 21 0.00000 0.00000 "TRP " " HH2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 59 -1 <> <> + 60 41 13.274004 -7.611926 1.903311 703 W A 21 0.00000 0.00000 "TRP " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 60 -1 <> <> + 61 41 11.597196 -7.398969 1.828219 703 W A 21 0.00000 0.00000 "TRP " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 61 -1 <> <> + 62 41 14.600700 -7.788166 -0.301320 703 W A 21 0.00000 0.00000 "TRP " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 62 -1 <> <> + 63 43 13.967847 -8.353802 -2.752096 703 W A 21 0.00000 0.00000 "TRP " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 63 34 <> <> + 64 41 9.584430 -7.021841 0.041070 703 W A 21 0.00000 0.00000 "TRP " " HE3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 64 -1 <> <> + 65 41 11.495250 -8.425620 -4.332291 703 W A 21 0.00000 0.00000 "TRP " " HZ2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 65 -1 <> <> + 66 41 8.107603 -7.326397 -1.909756 703 W A 21 0.00000 0.00000 "TRP " " HZ3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 66 -1 <> <> + 67 41 9.040438 -8.024889 -4.101669 703 W A 21 0.00000 0.00000 "TRP " " HH2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 67 -1 <> <> + 68 41 10.305227 -5.841462 4.914910 704 W A 21 0.00000 0.00000 "TRP " " HB2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 68 -1 <> <> + 69 41 9.767543 -4.414371 5.647701 704 W A 21 0.00000 0.00000 "TRP " " HB3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 69 -1 <> <> + 70 41 8.604729 -7.733582 4.490915 704 W A 21 0.00000 0.00000 "TRP " " HD1" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 70 -1 <> <> + 71 43 6.276551 -8.324874 5.469030 704 W A 21 0.00000 0.00000 "TRP " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 71 34 <> <> + 72 41 7.498829 -3.210672 6.537307 704 W A 21 0.00000 0.00000 "TRP " " HE3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 72 -1 <> <> + 73 41 4.193086 -6.902945 6.970098 704 W A 21 0.00000 0.00000 "TRP " " HZ2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 73 -1 <> <> + 74 41 5.369339 -2.827701 7.719720 704 W A 21 0.00000 0.00000 "TRP " " HZ3" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 74 -1 <> <> + 75 41 3.705138 -4.655779 7.945814 704 W A 21 0.00000 0.00000 "TRP " " HH2" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 75 -1 <> <> + ::: + } + m_bond[80] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 44 1 3 3 + 4 2 45 1 3 3 + 5 2 46 1 3 3 + 6 3 4 1 3 3 + 7 3 14 1 3 3 + 8 3 47 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 48 1 3 3 + 12 6 7 1 3 3 + 13 6 24 1 3 3 + 14 6 49 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 50 1 3 3 + 19 10 11 1 3 3 + 20 10 34 1 3 3 + 21 10 51 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 14 15 1 3 3 + 25 14 52 1 3 3 + 26 14 53 1 3 3 + 27 15 16 2 3 3 + 28 15 17 1 3 3 + 29 16 18 1 3 3 + 30 16 54 1 3 3 + 31 17 19 2 3 3 + 32 17 20 1 3 3 + 33 18 19 1 3 3 + 34 18 55 1 3 3 + 35 19 21 1 3 3 + 36 20 22 2 3 3 + 37 20 56 1 3 3 + 38 21 23 2 3 3 + 39 21 57 1 3 3 + 40 22 23 1 3 3 + 41 22 58 1 3 3 + 42 23 59 1 3 3 + 43 24 25 1 3 3 + 44 24 60 1 3 3 + 45 24 61 1 3 3 + 46 25 26 2 3 3 + 47 25 27 1 3 3 + 48 26 28 1 3 3 + 49 26 62 1 3 3 + 50 27 29 2 3 3 + 51 27 30 1 3 3 + 52 28 29 1 3 3 + 53 28 63 1 3 3 + 54 29 31 1 3 3 + 55 30 32 2 3 3 + 56 30 64 1 3 3 + 57 31 33 2 3 3 + 58 31 65 1 3 3 + 59 32 33 1 3 3 + 60 32 66 1 3 3 + 61 33 67 1 3 3 + 62 34 35 1 3 3 + 63 34 68 1 3 3 + 64 34 69 1 3 3 + 65 35 36 2 3 3 + 66 35 37 1 3 3 + 67 36 38 1 3 3 + 68 36 70 1 3 3 + 69 37 39 2 3 3 + 70 37 40 1 3 3 + 71 38 39 1 3 3 + 72 38 71 1 3 3 + 73 39 41 1 3 3 + 74 40 42 2 3 3 + 75 40 72 1 3 3 + 76 41 43 2 3 3 + 77 41 73 1 3 3 + 78 42 43 1 3 3 + 79 42 74 1 3 3 + 80 43 75 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/TRP_3.pdb b/test/PDB/BondsRestoring/TRP_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/TRP_3.pdb @@ -0,0 +1,99 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N TRP A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA TRP A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C TRP A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O TRP A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB TRP A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG TRP A 702 17.359 -4.534 -0.019 1.00 0.00 C +ATOM 7 CD1 TRP A 702 18.351 -3.629 -0.179 1.00 0.00 C +ATOM 8 CD2 TRP A 702 16.465 -4.368 -1.161 1.00 0.00 C +ATOM 9 NE1 TRP A 702 18.127 -2.911 -1.338 1.00 0.00 N +ATOM 10 CE2 TRP A 702 16.979 -3.324 -1.981 1.00 0.00 C +ATOM 11 CE3 TRP A 702 15.279 -4.994 -1.591 1.00 0.00 C +ATOM 12 CZ2 TRP A 702 16.342 -2.914 -3.163 1.00 0.00 C +ATOM 13 CZ3 TRP A 702 14.628 -4.593 -2.772 1.00 0.00 C +ATOM 14 CH2 TRP A 702 15.156 -3.554 -3.558 1.00 0.00 C +ATOM 15 H1 TRP A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 16 H2 TRP A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 17 H3 TRP A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 18 HA TRP A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 19 HB2 TRP A 702 18.241 -5.814 1.427 1.00 0.00 H +ATOM 20 HB3 TRP A 702 16.814 -6.432 0.761 1.00 0.00 H +ATOM 21 HD1 TRP A 702 19.146 -3.564 0.549 1.00 0.00 H +ATOM 22 HE1 TRP A 702 18.773 -2.186 -1.616 1.00 0.00 H +ATOM 23 HE3 TRP A 702 14.851 -5.798 -1.011 1.00 0.00 H +ATOM 24 HZ2 TRP A 702 16.764 -2.117 -3.756 1.00 0.00 H +ATOM 25 HZ3 TRP A 702 13.716 -5.084 -3.079 1.00 0.00 H +ATOM 26 HH2 TRP A 702 14.652 -3.248 -4.463 1.00 0.00 H +ATOM 27 N TRP A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 28 CA TRP A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 29 C TRP A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 30 O TRP A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 31 CB TRP A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 32 CG TRP A 703 12.532 -7.434 -0.077 1.00 0.00 C +ATOM 33 CD1 TRP A 703 13.633 -7.780 -0.782 1.00 0.00 C +ATOM 34 CD2 TRP A 703 11.407 -7.531 -1.003 1.00 0.00 C +ATOM 35 NE1 TRP A 703 13.267 -8.076 -2.080 1.00 0.00 N +ATOM 36 CE2 TRP A 703 11.908 -7.937 -2.273 1.00 0.00 C +ATOM 37 CE3 TRP A 703 10.018 -7.322 -0.902 1.00 0.00 C +ATOM 38 CZ2 TRP A 703 11.074 -8.118 -3.387 1.00 0.00 C +ATOM 39 CZ3 TRP A 703 9.169 -7.497 -2.010 1.00 0.00 C +ATOM 40 CH2 TRP A 703 9.694 -7.893 -3.252 1.00 0.00 C +ATOM 41 H TRP A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 42 HA TRP A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 43 HB2 TRP A 703 13.274 -7.612 1.903 1.00 0.00 H +ATOM 44 HB3 TRP A 703 11.597 -7.399 1.828 1.00 0.00 H +ATOM 45 HD1 TRP A 703 14.601 -7.788 -0.301 1.00 0.00 H +ATOM 46 HE1 TRP A 703 13.968 -8.354 -2.752 1.00 0.00 H +ATOM 47 HE3 TRP A 703 9.584 -7.022 0.041 1.00 0.00 H +ATOM 48 HZ2 TRP A 703 11.495 -8.426 -4.332 1.00 0.00 H +ATOM 49 HZ3 TRP A 703 8.108 -7.326 -1.910 1.00 0.00 H +ATOM 50 HH2 TRP A 703 9.040 -8.025 -4.102 1.00 0.00 H +ATOM 51 N TRP A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 52 CA TRP A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 53 C TRP A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 54 O TRP A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 55 OXT TRP A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 56 CB TRP A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 57 CG TRP A 704 8.218 -5.822 5.298 1.00 0.00 C +ATOM 58 CD1 TRP A 704 7.911 -7.113 5.038 1.00 0.00 C +ATOM 59 CD2 TRP A 704 7.090 -5.276 6.048 1.00 0.00 C +ATOM 60 NE1 TRP A 704 6.668 -7.400 5.571 1.00 0.00 N +ATOM 61 CE2 TRP A 704 6.117 -6.304 6.201 1.00 0.00 C +ATOM 62 CE3 TRP A 704 6.791 -4.023 6.617 1.00 0.00 C +ATOM 63 CZ2 TRP A 704 4.905 -6.096 6.877 1.00 0.00 C +ATOM 64 CZ3 TRP A 704 5.579 -3.798 7.295 1.00 0.00 C +ATOM 65 CH2 TRP A 704 4.635 -4.832 7.426 1.00 0.00 C +ATOM 66 H TRP A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 67 HA TRP A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 68 HB2 TRP A 704 10.305 -5.841 4.915 1.00 0.00 H +ATOM 69 HB3 TRP A 704 9.768 -4.414 5.648 1.00 0.00 H +ATOM 70 HD1 TRP A 704 8.605 -7.734 4.491 1.00 0.00 H +ATOM 71 HE1 TRP A 704 6.277 -8.325 5.469 1.00 0.00 H +ATOM 72 HE3 TRP A 704 7.499 -3.211 6.537 1.00 0.00 H +ATOM 73 HZ2 TRP A 704 4.193 -6.903 6.970 1.00 0.00 H +ATOM 74 HZ3 TRP A 704 5.369 -2.828 7.720 1.00 0.00 H +ATOM 75 HH2 TRP A 704 3.705 -4.656 7.946 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/TYR_3.mae b/test/PDB/BondsRestoring/TYR_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/TYR_3.mae @@ -0,0 +1,396 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + TYR3 + Structure + 0 + 288 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 287 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[66] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 Y A 75 -0.50000 -0.50000 "TYR " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 Y A 38 -0.30000 -0.30000 "TYR " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 Y A 10 0.25000 0.25000 "TYR " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 Y A 10 0.50000 0.50000 "TYR " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 Y A 38 -0.50000 -0.50000 "TYR " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 Y A 10 0.14000 0.14000 "TYR " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 Y A 10 0.50000 0.50000 "TYR " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 Y A 75 -0.50000 -0.50000 "TYR " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 Y A 38 -0.50000 -0.50000 "TYR " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 Y A 10 0.04000 0.04000 "TYR " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 Y A 10 0.70000 0.70000 "TYR " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 Y A 75 -0.80000 -0.80000 "TYR " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 Y A 75 -0.80000 -0.80000 "TYR " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 44 18.144641 -4.805768 3.503240 702 Y A 21 0.00000 0.00000 "TYR " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 45 <> <> + 15 44 16.749240 -4.913557 4.375329 702 Y A 21 0.00000 0.00000 "TYR " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 16 44 17.400988 -6.265442 3.692004 702 Y A 21 0.00000 0.00000 "TYR " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 17 41 16.297161 -3.959271 2.261460 702 Y A 21 0.00000 0.00000 "TYR " " HA " " " 1 0 3 0 FFFFFF "" 0 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 18 43 14.257990 -4.277618 1.266790 703 Y A 21 0.00000 0.00000 "TYR " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 19 41 12.295224 -5.033197 0.816483 703 Y A 21 0.00000 0.00000 "TYR " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 20 43 10.166444 -5.079505 1.687341 704 Y A 21 0.00000 0.00000 "TYR " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 21 41 8.544335 -4.749933 3.048741 704 Y A 21 0.00000 0.00000 "TYR " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + 22 3 17.243256 -5.497465 1.122448 702 Y A 2 0.00000 0.00000 "TYR " " CB " " g1" 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 23 2 17.361293 -4.522931 -0.033751 702 Y A 2 0.00000 0.00000 "TYR " " CG " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 24 2 18.444062 -3.626674 -0.089750 702 Y A 2 0.00000 0.00000 "TYR " " CD1" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 25 2 16.381135 -4.496577 -1.041298 702 Y A 2 0.00000 0.00000 "TYR " " CD2" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 26 2 18.555426 -2.719407 -1.157761 702 Y A 2 0.00000 0.00000 "TYR " " CE1" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 27 2 16.492035 -3.591243 -2.110741 702 Y A 2 0.00000 0.00000 "TYR " " CE2" " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 28 2 17.581389 -2.703316 -2.170894 702 Y A 2 0.00000 0.00000 "TYR " " CZ " " " 6 0 3 1 A0A0A0 "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 29 16 17.693815 -1.824283 -3.208778 702 Y A 70 0.00000 0.00000 "TYR " " OH " " " 8 0 3 1 FF2F2F "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 30 41 18.268112 -5.735543 1.407208 702 Y A 21 0.00000 0.00000 "TYR " " HB2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 31 41 16.766766 -6.385140 0.706406 702 Y A 21 0.00000 0.00000 "TYR " " HB3" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 32 41 19.192358 -3.634493 0.688962 702 Y A 21 0.00000 0.00000 "TYR " " HD1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 33 41 15.540485 -5.172991 -0.994691 702 Y A 21 0.00000 0.00000 "TYR " " HD2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 34 41 19.389519 -2.034631 -1.199851 702 Y A 21 0.00000 0.00000 "TYR " " HE1" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 35 41 15.740780 -3.577235 -2.886511 702 Y A 21 0.00000 0.00000 "TYR " " HE2" " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 36 42 16.953930 -1.941077 -3.809221 702 Y A 21 0.00000 0.00000 "TYR " " HH " " " 1 0 3 1 FFFFFF "" 0 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 37 3 12.517151 -7.038987 1.367573 703 Y A 2 0.00000 0.00000 "TYR " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 38 2 12.531657 -7.440488 -0.094970 703 Y A 2 0.00000 0.00000 "TYR " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 39 2 13.745997 -7.780064 -0.718562 703 Y A 2 0.00000 0.00000 "TYR " " CD1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 40 2 11.338064 -7.455245 -0.837718 703 Y A 2 0.00000 0.00000 "TYR " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 41 2 13.764413 -8.149395 -2.074821 703 Y A 2 0.00000 0.00000 "TYR " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 42 2 11.354595 -7.826031 -2.193403 703 Y A 2 0.00000 0.00000 "TYR " " CE2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 43 2 12.568293 -8.176026 -2.812407 703 Y A 2 0.00000 0.00000 "TYR " " CZ " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 44 16 12.588202 -8.538738 -4.127924 703 Y A 70 0.00000 0.00000 "TYR " " OH " " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 45 41 13.321876 -7.608218 1.832861 703 Y A 21 0.00000 0.00000 "TYR " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 46 41 11.558150 -7.384222 1.753877 703 Y A 21 0.00000 0.00000 "TYR " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 47 41 14.667157 -7.757415 -0.155223 703 Y A 21 0.00000 0.00000 "TYR " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 48 41 10.405568 -7.181271 -0.366775 703 Y A 21 0.00000 0.00000 "TYR " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 49 41 14.697752 -8.412723 -2.550151 703 Y A 21 0.00000 0.00000 "TYR " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 50 41 10.435327 -7.842260 -2.760045 703 Y A 21 0.00000 0.00000 "TYR " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 51 42 11.696927 -8.505392 -4.483055 703 Y A 21 0.00000 0.00000 "TYR " " HH " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 52 3 9.479205 -5.131189 4.878849 704 Y A 2 0.00000 0.00000 "TYR " " CB " " g1" 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 53 2 8.202386 -5.830663 5.304190 704 Y A 2 0.00000 0.00000 "TYR " " CG " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 54 2 7.998042 -7.182624 4.973667 704 Y A 2 0.00000 0.00000 "TYR " " CD1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 55 2 7.210824 -5.127743 6.010776 704 Y A 2 0.00000 0.00000 "TYR " " CD2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 56 2 6.814545 -7.833785 5.362904 704 Y A 2 0.00000 0.00000 "TYR " " CE1" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 57 2 6.027737 -5.777911 6.402215 704 Y A 2 0.00000 0.00000 "TYR " " CE2" " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 58 2 5.829987 -7.132940 6.080474 704 Y A 2 0.00000 0.00000 "TYR " " CZ " " " 6 0 3 1 A0A0A0 "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 59 16 4.683598 -7.768385 6.460666 704 Y A 70 0.00000 0.00000 "TYR " " OH " " " 8 0 3 1 FF2F2F "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 60 41 10.250062 -5.901735 4.890567 704 Y A 21 0.00000 0.00000 "TYR " " HB2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 61 41 9.684507 -4.400671 5.661342 704 Y A 21 0.00000 0.00000 "TYR " " HB3" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 62 41 8.751362 -7.722882 4.419564 704 Y A 21 0.00000 0.00000 "TYR " " HD1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 63 41 7.357205 -4.085725 6.254026 704 Y A 21 0.00000 0.00000 "TYR " " HD2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 64 41 6.661756 -8.872716 5.110558 704 Y A 21 0.00000 0.00000 "TYR " " HE1" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 65 41 5.270280 -5.237125 6.950128 704 Y A 21 0.00000 0.00000 "TYR " " HE2" " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + 66 42 4.120270 -7.154798 6.937921 704 Y A 21 0.00000 0.00000 "TYR " " HH " " " 1 0 3 1 FFFFFF "" -1 "" 1 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> + ::: + } + m_bond[68] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 14 1 3 3 + 4 2 15 1 3 3 + 5 2 16 1 3 3 + 6 3 4 1 3 3 + 7 3 17 1 3 3 + 8 3 22 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 18 1 3 3 + 12 6 7 1 3 3 + 13 6 19 1 3 3 + 14 6 37 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 20 1 3 3 + 19 10 11 1 3 3 + 20 10 21 1 3 3 + 21 10 52 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 22 23 1 3 3 + 25 22 30 1 3 3 + 26 22 31 1 3 3 + 27 23 24 2 3 3 + 28 23 25 1 3 3 + 29 24 26 1 3 3 + 30 24 32 1 3 3 + 31 25 27 2 3 3 + 32 25 33 1 3 3 + 33 26 28 2 3 3 + 34 26 34 1 3 3 + 35 27 28 1 3 3 + 36 27 35 1 3 3 + 37 28 29 1 3 3 + 38 29 36 1 3 3 + 39 37 38 1 3 3 + 40 37 45 1 3 3 + 41 37 46 1 3 3 + 42 38 39 2 3 3 + 43 38 40 1 3 3 + 44 39 41 1 3 3 + 45 39 47 1 3 3 + 46 40 42 2 3 3 + 47 40 48 1 3 3 + 48 41 43 2 3 3 + 49 41 49 1 3 3 + 50 42 43 1 3 3 + 51 42 50 1 3 3 + 52 43 44 1 3 3 + 53 44 51 1 3 3 + 54 52 53 1 3 3 + 55 52 60 1 3 3 + 56 52 61 1 3 3 + 57 53 54 2 3 3 + 58 53 55 1 3 3 + 59 54 56 1 3 3 + 60 54 62 1 3 3 + 61 55 57 2 3 3 + 62 55 63 1 3 3 + 63 56 58 2 3 3 + 64 56 64 1 3 3 + 65 57 58 1 3 3 + 66 57 65 1 3 3 + 67 58 59 1 3 3 + 68 59 66 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/TYR_3.pdb b/test/PDB/BondsRestoring/TYR_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/TYR_3.pdb @@ -0,0 +1,90 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N TYR A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA TYR A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C TYR A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O TYR A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB TYR A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG TYR A 702 17.361 -4.523 -0.034 1.00 0.00 C +ATOM 7 CD1 TYR A 702 18.444 -3.627 -0.090 1.00 0.00 C +ATOM 8 CD2 TYR A 702 16.381 -4.497 -1.041 1.00 0.00 C +ATOM 9 CE1 TYR A 702 18.555 -2.719 -1.158 1.00 0.00 C +ATOM 10 CE2 TYR A 702 16.492 -3.591 -2.111 1.00 0.00 C +ATOM 11 CZ TYR A 702 17.581 -2.703 -2.171 1.00 0.00 C +ATOM 12 OH TYR A 702 17.694 -1.824 -3.209 1.00 0.00 O +ATOM 13 H1 TYR A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 14 H2 TYR A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 15 H3 TYR A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 16 HA TYR A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 17 HB2 TYR A 702 18.268 -5.736 1.407 1.00 0.00 H +ATOM 18 HB3 TYR A 702 16.767 -6.385 0.706 1.00 0.00 H +ATOM 19 HD1 TYR A 702 19.192 -3.634 0.689 1.00 0.00 H +ATOM 20 HD2 TYR A 702 15.540 -5.173 -0.995 1.00 0.00 H +ATOM 21 HE1 TYR A 702 19.390 -2.035 -1.200 1.00 0.00 H +ATOM 22 HE2 TYR A 702 15.741 -3.577 -2.887 1.00 0.00 H +ATOM 23 HH TYR A 702 16.954 -1.941 -3.809 1.00 0.00 H +ATOM 24 N TYR A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 25 CA TYR A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 26 C TYR A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 27 O TYR A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 28 CB TYR A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 29 CG TYR A 703 12.532 -7.440 -0.095 1.00 0.00 C +ATOM 30 CD1 TYR A 703 13.746 -7.780 -0.719 1.00 0.00 C +ATOM 31 CD2 TYR A 703 11.338 -7.455 -0.838 1.00 0.00 C +ATOM 32 CE1 TYR A 703 13.764 -8.149 -2.075 1.00 0.00 C +ATOM 33 CE2 TYR A 703 11.355 -7.826 -2.193 1.00 0.00 C +ATOM 34 CZ TYR A 703 12.568 -8.176 -2.812 1.00 0.00 C +ATOM 35 OH TYR A 703 12.588 -8.539 -4.128 1.00 0.00 O +ATOM 36 H TYR A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 37 HA TYR A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 38 HB2 TYR A 703 13.322 -7.608 1.833 1.00 0.00 H +ATOM 39 HB3 TYR A 703 11.558 -7.384 1.754 1.00 0.00 H +ATOM 40 HD1 TYR A 703 14.667 -7.757 -0.155 1.00 0.00 H +ATOM 41 HD2 TYR A 703 10.406 -7.181 -0.367 1.00 0.00 H +ATOM 42 HE1 TYR A 703 14.698 -8.413 -2.550 1.00 0.00 H +ATOM 43 HE2 TYR A 703 10.435 -7.842 -2.760 1.00 0.00 H +ATOM 44 HH TYR A 703 11.697 -8.505 -4.483 1.00 0.00 H +ATOM 45 N TYR A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 46 CA TYR A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 47 C TYR A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 48 O TYR A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 49 OXT TYR A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 50 CB TYR A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 51 CG TYR A 704 8.202 -5.831 5.304 1.00 0.00 C +ATOM 52 CD1 TYR A 704 7.998 -7.183 4.974 1.00 0.00 C +ATOM 53 CD2 TYR A 704 7.211 -5.128 6.011 1.00 0.00 C +ATOM 54 CE1 TYR A 704 6.815 -7.834 5.363 1.00 0.00 C +ATOM 55 CE2 TYR A 704 6.028 -5.778 6.402 1.00 0.00 C +ATOM 56 CZ TYR A 704 5.830 -7.133 6.080 1.00 0.00 C +ATOM 57 OH TYR A 704 4.684 -7.768 6.461 1.00 0.00 O +ATOM 58 H TYR A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 59 HA TYR A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 60 HB2 TYR A 704 10.250 -5.902 4.891 1.00 0.00 H +ATOM 61 HB3 TYR A 704 9.685 -4.401 5.661 1.00 0.00 H +ATOM 62 HD1 TYR A 704 8.751 -7.723 4.420 1.00 0.00 H +ATOM 63 HD2 TYR A 704 7.357 -4.086 6.254 1.00 0.00 H +ATOM 64 HE1 TYR A 704 6.662 -8.873 5.111 1.00 0.00 H +ATOM 65 HE2 TYR A 704 5.270 -5.237 6.950 1.00 0.00 H +ATOM 66 HH TYR A 704 4.120 -7.155 6.938 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/BondsRestoring/VAL_3.mae b/test/PDB/BondsRestoring/VAL_3.mae new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/VAL_3.mae @@ -0,0 +1,363 @@ +{ + s_m_m2io_version + ::: + 2.0.0 +} + +f_m_ct { + s_m_title + s_m_entry_name + i_m_stars + s_m_entry_id + s_m_job_name + r_mmod_Potential_Energy-OPLS-2005 + r_mmod_Stretch_Energy-OPLS-2005 + r_mmod_Bend_Energy-OPLS-2005 + r_mmod_Torsional_Energy-OPLS-2005 + r_mmod_Improper_Torsional_Energy-OPLS-2005 + r_mmod_Van_der_Waal_Energy-OPLS-2005 + r_mmod_Electrostatic_Energy-OPLS-2005 + s_pdb_PDB_TITLE + s_pdb_PDB_ID + r_pdb_PDB_CRYST1_a + r_pdb_PDB_CRYST1_b + r_pdb_PDB_CRYST1_c + r_pdb_PDB_CRYST1_alpha + r_pdb_PDB_CRYST1_beta + r_pdb_PDB_CRYST1_gamma + s_pdb_PDB_CRYST1_Space_Group + i_pdb_PDB_CRYST1_z + s_pdb_PDB_CLASSIFICATION + s_pdb_PDB_DEPOSITION_DATE + s_pdb_PDB_format_version + r_pdb_PDB_R + r_pdb_PDB_Rfree + r_pdb_PDB_RESOLUTION + s_pdb_PDB_EXPDTA + r_pdb_PDB_EXPDTA_TEMPERATURE + r_pdb_PDB_EXPDTA_PH + s_pdb_PDB_REMARK_350_Biomolecule_1_Chains + s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1 + s_pdb_PDB_REMARK_350_Biomolecule_2_Chains + s_pdb_PDB_REMARK_350_Biomolecule_2_Transformation_1 + s_ppw_entry_id_backup + b_ppw_prepared + b_ppw_assigned_bond_orders + b_ppw_added_hydrogens + b_ppw_treated_metals + b_ppw_created_disulfur + b_ppw_deleted_far_waters + s_m_Source_Path + s_m_Source_File + i_m_Source_File_Index + s_st_Chirality_1 + b_psp_distorted_structure + i_psp_model_num + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_vdW + r_psp_Prime_Solv_GB + r_psp_Prime_Lipo + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_i_target_temperature + b_ppw_ran_impref + b_ppw_ran_protassign + i_m_source_file_index + i_lp_mmshare_version + r_epik_Ionization_Penalty + r_epik_Ionization_Penalty_Charging + r_epik_Ionization_Penalty_Neutral + r_epik_State_Penalty + i_epik_Tot_Q + s_st_Chirality_2 + s_st_Chirality_3 + b_mmod_Minimization_Converged-OPLS-2005 + r_mmod_RMS_Derivative-OPLS-2005 + i_mmod_Times_Found-OPLS-2005 + r_mmod_Relative_Potential_Energy-OPLS-2005 + b_mmod_Chiralities_Consistent-OPLS-2005 + i_mmod_Conformation-OPLS-2005 + i_mmod_Serial_Number-OPLS-2005 + r_mmod_Solvation_Energy-OPLS-2005 + ::: + VAL3 + Structure + 0 + 282 + ILE3 + -384.701110839844 + 3.21672987937927 + 47.5902709960938 + 105.539138793945 + 0.0302495043724775 + 241.22998046875 + -343.904479980469 + "CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN COMPEX WITH HKI-272" + 2JIV + 56.087 + 98.989 + 73.326 + 90 + 109.94 + 90 + "P 1 21 1" + 4 + TRANSFERASE + 02-JUL-07 + 3.30 + 0.250999987125397 + 0.284000009298325 + 3.5 + "X-RAY DIFFRACTION" + 100 + 7.5 + A + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + B + "1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000" + 281 + 1 + 1 + 1 + 1 + 1 + 1 + /home/shehovtsov/ownCloud/SchResults/ChemNext/OPLSCrack.prj + 2jiv.pdb + 1 + 4_S_3_5_2_22 + 0 + 0 + -15228.2951610052 + 8844.27158380025 + 50916082887.1437 + -4025.5362735107 + -3537.76289714321 + 50916068618.8497 + -130.726704687813 + -13.8491664174113 + -176.395432431619 + 298 + 1 + 1 + 1 + 32018 + 0.1225 + 0.1222 + 0.0002 + 0.1115 + 0 + 7_S_6_8_10_24 + 12_S_11_13_15_29 + 1 + 0.00200419803149998 + 1 + 0 + 1 + 1 + 1 + -438.402984619141 + m_depend[24] { + # First column is dependency index # + i_m_depend_dependency + s_m_depend_property + ::: + 1 30 s_m_job_name + 2 20 r_mmod_Potential_Energy-OPLS-2005 + 3 20 r_mmod_Stretch_Energy-OPLS-2005 + 4 20 r_mmod_Bend_Energy-OPLS-2005 + 5 20 r_mmod_Torsional_Energy-OPLS-2005 + 6 20 r_mmod_Improper_Torsional_Energy-OPLS-2005 + 7 20 r_mmod_Van_der_Waal_Energy-OPLS-2005 + 8 20 r_mmod_Electrostatic_Energy-OPLS-2005 + 9 10 s_st_Chirality_1 + 10 10 r_epik_Ionization_Penalty + 11 10 r_epik_Ionization_Penalty_Charging + 12 10 r_epik_Ionization_Penalty_Neutral + 13 10 r_epik_State_Penalty + 14 10 i_epik_Tot_Q + 15 10 s_st_Chirality_2 + 16 10 s_st_Chirality_3 + 17 20 b_mmod_Minimization_Converged-OPLS-2005 + 18 20 r_mmod_RMS_Derivative-OPLS-2005 + 19 20 i_mmod_Times_Found-OPLS-2005 + 20 20 r_mmod_Relative_Potential_Energy-OPLS-2005 + 21 20 b_mmod_Chiralities_Consistent-OPLS-2005 + 22 20 i_mmod_Conformation-OPLS-2005 + 23 10 i_mmod_Serial_Number-OPLS-2005 + 24 20 r_mmod_Solvation_Energy-OPLS-2005 + ::: + } + m_atom[51] { + # First column is atom index # + i_m_mmod_type + r_m_x_coord + r_m_y_coord + r_m_z_coord + i_m_residue_number + s_m_mmod_res + s_m_chain_name + i_m_color + r_m_charge1 + r_m_charge2 + s_m_pdb_residue_name + s_m_pdb_atom_name + s_m_grow_name + i_m_atomic_number + i_m_formal_charge + i_m_representation + i_m_visibility + s_m_color_rgb + s_m_atom_name + i_m_secondary_structure + s_m_label_format + i_m_label_color + s_m_label_user_text + r_m_pdb_occupancy + r_m_pdb_tfactor + r_psp_Prime_Coulomb + r_psp_Prime_Covalent + r_psp_Prime_Energy + r_psp_Prime_Hbond + r_psp_Prime_Lipo + r_psp_Prime_Packing + r_psp_Prime_SelfCont + r_psp_Prime_Solv_GB + r_psp_Prime_Solv_SA + r_psp_Prime_vdW + r_psp_atom_born_radius + r_psp_atom_partial_charge + r_psp_atom_sgb_radius + r_psp_atom_vdw_radius + r_psp_ffld_partial_charge + r_psp_solvent_exposed_surface_area + i_i_constraint + i_i_internal_atom_index + i_m_Hcount + i_pa_atomindex + i_pdb_PDB_serial + i_pdb_seqres_chain + i_pdb_seqres_index + i_zob_match_atom_index + i_zob_match_atom_type + r_epik_H2O_pKa + r_epik_H2O_pKa_uncertainty + ::: + 1 15 14.990554 -6.772408 3.076800 702 V A 75 -0.50000 -0.50000 "VAL " " O " " " 8 0 3 1 FF5757 "" 0 "" 75 "" 1 38.22 -52.863 0.002 -4.166 -0.053 0 0 0 43.242 0 5.505 4.286 -0.5 1.678 1.48 -0.5 2.293 0 6 0 6 18 1 3 1 -1 <> <> + 2 32 17.252295 -5.273120 3.576736 702 V A 38 -0.30000 -0.30000 "VAL " " N " " " 7 1 3 1 2F2FFF "" 0 "" 38 "" 1 39.05 -44.236 0.556 -8.041 -0.03 0 0 0 35.782 0 -0.114 4.721 -0.5 1.92 1.625 -0.5 0 0 8 3 8 15 1 3 2 44 <> <> + 3 3 16.468061 -5.032000 2.351712 702 V A 10 0.25000 0.25000 "VAL " " CA " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.59 11.935 0.574 3.991 0 -1.399 0 0 -6.836 0 -0.283 4.771 0.14 1.975 1.75 0.14 0 0 9 1 9 16 1 3 3 -1 <> <> + 4 2 15.106278 -5.729636 2.433057 702 V A 10 0.50000 0.50000 "VAL " " C " " " 6 0 3 1 1EE11E "" 0 "" 10 "" 1 38.18 40.757 0.733 3.047 0 0 0 0 -46.947 0 8.503 5.367 0.5 2.112 1.875 0.5 0 0 10 0 10 17 1 3 4 -1 <> <> + 5 25 14.093802 -5.132405 1.779119 703 V A 38 -0.50000 -0.50000 "VAL " " N " " c1" 7 0 3 1 2F2FFF "N12" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 12 1 12 <> <> <> 5 -1 <> <> + 6 3 12.691092 -5.556884 1.686621 703 V A 10 0.14000 0.14000 "VAL " " CA " " g0" 6 0 3 1 1EE11E "C13" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 13 1 13 <> <> <> 6 -1 <> <> + 7 2 11.838035 -5.066554 2.867123 703 V A 10 0.50000 0.50000 "VAL " " C " " n1" 6 0 3 1 1EE11E "C14" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 14 0 14 <> <> <> 7 -1 <> <> + 8 15 12.356370 -4.855328 3.963740 703 V A 75 -0.50000 -0.50000 "VAL " " O " " " 8 0 3 1 FF5757 "O15" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 15 0 15 <> <> <> 8 -1 -1.677 0.746 + 9 25 10.529949 -4.890188 2.610446 704 V A 38 -0.50000 -0.50000 "VAL " " N " " c1" 7 0 3 1 2F2FFF "N22" -1 "" 38 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 22 1 22 <> <> <> 9 -1 <> <> + 10 3 9.475121 -4.435355 3.520735 704 V A 10 0.04000 0.04000 "VAL " " CA " " g0" 6 0 3 1 1EE11E "C23" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 23 1 23 <> <> <> 10 -1 <> <> + 11 2 9.393844 -2.904178 3.567672 704 V A 10 0.70000 0.70000 "VAL " " C " " n1" 6 0 3 1 1EE11E "C24" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 24 0 24 <> <> <> 11 -1 <> <> + 12 15 8.706856 -2.346088 2.683930 704 V A 75 -0.80000 -0.80000 "VAL " " O " " " 8 0 3 1 FF5757 "O25" -1 "" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 25 0 25 <> <> <> 12 -1 <> <> + 13 18 10.030686 -2.315400 4.468878 704 V A 75 -0.80000 -0.80000 "VAL " " OXT" " n2" 8 -1 3 1 FF5757 "O27" -1 "%UT" 75 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 0 32 0 27 <> <> <> 13 -1 3.647 0.775 + 14 3 17.243256 -5.497465 1.122448 702 V A 10 0.00000 0.00000 "VAL " " CB " " g1" 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 14 -1 <> <> + 15 3 17.245081 -4.377440 0.080352 702 V A 10 0.00000 0.00000 "VAL " " CG1" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 15 -1 <> <> + 16 3 18.695067 -5.867053 1.456485 702 V A 10 0.00000 0.00000 "VAL " " CG2" " " 6 0 3 1 1EE11E "" 0 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 16 -1 <> <> + 17 3 12.517151 -7.038987 1.367573 703 V A 10 0.00000 0.00000 "VAL " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 17 -1 <> <> + 18 3 12.560701 -7.231035 -0.149544 703 V A 10 0.00000 0.00000 "VAL " " CG1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 18 -1 <> <> + 19 3 13.611029 -7.903815 2.009003 703 V A 10 0.00000 0.00000 "VAL " " CG2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 19 -1 <> <> + 20 3 9.479205 -5.131189 4.878849 704 V A 10 0.00000 0.00000 "VAL " " CB " " g1" 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 20 -1 <> <> + 21 3 8.109257 -5.769332 5.116419 704 V A 10 0.00000 0.00000 "VAL " " CG1" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 21 -1 <> <> + 22 3 10.556794 -6.220373 4.970560 704 V A 10 0.00000 0.00000 "VAL " " CG2" " " 6 0 3 1 1EE11E "" -1 "" 10 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 22 -1 <> <> + 23 44 18.144641 -4.805768 3.503240 702 V A 21 0.00000 0.00000 "VAL " " H1 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 23 45 <> <> + 24 44 16.749240 -4.913557 4.375329 702 V A 21 0.00000 0.00000 "VAL " " H2 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 24 -1 <> <> + 25 44 17.400988 -6.265442 3.692004 702 V A 21 0.00000 0.00000 "VAL " " H3 " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 25 -1 <> <> + 26 41 16.297161 -3.959271 2.261460 702 V A 21 0.00000 0.00000 "VAL " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 26 -1 <> <> + 27 43 14.257990 -4.277618 1.266790 703 V A 21 0.00000 0.00000 "VAL " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 27 -1 <> <> + 28 41 12.295224 -5.033197 0.816483 703 V A 21 0.00000 0.00000 "VAL " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 28 -1 <> <> + 29 43 10.166444 -5.079505 1.687341 704 V A 21 0.00000 0.00000 "VAL " " H " " " 1 0 3 1 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 29 -1 <> <> + 30 41 8.544335 -4.749933 3.048741 704 V A 21 0.00000 0.00000 "VAL " " HA " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 30 -1 <> <> + 31 41 16.745054 -6.370552 0.701006 702 V A 21 0.00000 0.00000 "VAL " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 31 -1 <> <> + 32 41 16.218049 -4.106693 -0.164600 702 V A 21 0.00000 0.00000 "VAL " "HG11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 32 -1 <> <> + 33 41 17.763659 -3.507127 0.482509 702 V A 21 0.00000 0.00000 "VAL " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 33 -1 <> <> + 34 41 17.754836 -4.719361 -0.820392 702 V A 21 0.00000 0.00000 "VAL " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 34 -1 <> <> + 35 41 18.705776 -6.665063 2.198890 702 V A 21 0.00000 0.00000 "VAL " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 35 -1 <> <> + 36 41 19.201529 -6.205581 0.552608 702 V A 21 0.00000 0.00000 "VAL " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 36 -1 <> <> + 37 41 19.210351 -4.993347 1.855509 702 V A 21 0.00000 0.00000 "VAL " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 37 -1 <> <> + 38 41 11.545755 -7.367669 1.736974 703 V A 21 0.00000 0.00000 "VAL " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 38 -1 <> <> + 39 41 11.787226 -6.620828 -0.615894 703 V A 21 0.00000 0.00000 "VAL " "HG11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 39 -1 <> <> + 40 41 13.537734 -6.928879 -0.526648 703 V A 21 0.00000 0.00000 "VAL " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 40 -1 <> <> + 41 41 12.388217 -8.280426 -0.388557 703 V A 21 0.00000 0.00000 "VAL " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 41 -1 <> <> + 42 41 13.589164 -7.774656 3.091103 703 V A 21 0.00000 0.00000 "VAL " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 42 -1 <> <> + 43 41 13.436160 -8.951679 1.765076 703 V A 21 0.00000 0.00000 "VAL " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 43 -1 <> <> + 44 41 14.585677 -7.600131 1.626985 703 V A 21 0.00000 0.00000 "VAL " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 44 -1 <> <> + 45 41 9.661660 -4.388240 5.655275 704 V A 21 0.00000 0.00000 "VAL " " HB " " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 45 -1 <> <> + 46 41 7.335579 -5.004110 5.053511 704 V A 21 0.00000 0.00000 "VAL " "HG11" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 46 -1 <> <> + 47 41 7.927180 -6.532435 4.359701 704 V A 21 0.00000 0.00000 "VAL " "HG12" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 47 -1 <> <> + 48 41 8.087551 -6.226768 6.105550 704 V A 21 0.00000 0.00000 "VAL " "HG13" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 48 -1 <> <> + 49 41 11.538045 -5.776448 4.802700 704 V A 21 0.00000 0.00000 "VAL " "HG21" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 49 -1 <> <> + 50 41 10.529518 -6.676789 5.960025 704 V A 21 0.00000 0.00000 "VAL " "HG22" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 50 -1 <> <> + 51 41 10.369146 -6.982457 4.214176 704 V A 21 0.00000 0.00000 "VAL " "HG23" " " 1 0 3 0 FFFFFF "" -1 "" 21 "" <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> 51 -1 <> <> + ::: + } + m_bond[50] { + # First column is bond index # + i_m_from + i_m_to + i_m_order + i_m_from_rep + i_m_to_rep + ::: + 1 1 4 2 3 3 + 2 2 3 1 3 3 + 3 2 23 1 3 3 + 4 2 24 1 3 3 + 5 2 25 1 3 3 + 6 3 4 1 3 3 + 7 3 14 1 3 3 + 8 3 26 1 3 3 + 9 4 5 1 3 3 + 10 5 6 1 3 3 + 11 5 27 1 3 3 + 12 6 7 1 3 3 + 13 6 17 1 3 3 + 14 6 28 1 3 3 + 15 7 8 2 3 3 + 16 7 9 1 3 3 + 17 9 10 1 3 3 + 18 9 29 1 3 3 + 19 10 11 1 3 3 + 20 10 20 1 3 3 + 21 10 30 1 3 3 + 22 11 12 2 3 3 + 23 11 13 1 3 3 + 24 14 15 1 3 3 + 25 14 16 1 3 3 + 26 14 31 1 3 3 + 27 15 32 1 3 3 + 28 15 33 1 3 3 + 29 15 34 1 3 3 + 30 16 35 1 3 3 + 31 16 36 1 3 3 + 32 16 37 1 3 3 + 33 17 18 1 3 3 + 34 17 19 1 3 3 + 35 17 38 1 3 3 + 36 18 39 1 3 3 + 37 18 40 1 3 3 + 38 18 41 1 3 3 + 39 19 42 1 3 3 + 40 19 43 1 3 3 + 41 19 44 1 3 3 + 42 20 21 1 3 3 + 43 20 22 1 3 3 + 44 20 45 1 3 3 + 45 21 46 1 3 3 + 46 21 47 1 3 3 + 47 21 48 1 3 3 + 48 22 49 1 3 3 + 49 22 50 1 3 3 + 50 22 51 1 3 3 + ::: + } +} + diff --git a/test/PDB/BondsRestoring/VAL_3.pdb b/test/PDB/BondsRestoring/VAL_3.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/BondsRestoring/VAL_3.pdb @@ -0,0 +1,75 @@ +HEADER TRANSFERASE 02-JUL-07 2JIV +REMARK 4 2JIV COMPLIES WITH FORMAT V. 3.30, +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF EGFR KINASE DOMAIN T790M MUTATION IN +TITLE 2 COMPEX WITH HKI-272 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 3.50 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 7.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +CRYST1 56.087 98.989 73.326 90.00 109.94 90.00 P 1 21 1 4 +MODEL 1 +ATOM 1 N VAL A 702 17.252 -5.273 3.577 1.00 39.05 N1+ +ATOM 2 CA VAL A 702 16.468 -5.032 2.352 1.00 38.59 C +ATOM 3 C VAL A 702 15.106 -5.730 2.433 1.00 38.18 C +ATOM 4 O VAL A 702 14.991 -6.772 3.077 1.00 38.22 O +ATOM 5 CB VAL A 702 17.243 -5.497 1.122 1.00 0.00 C +ATOM 6 CG1 VAL A 702 17.245 -4.377 0.080 1.00 0.00 C +ATOM 7 CG2 VAL A 702 18.695 -5.867 1.456 1.00 0.00 C +ATOM 8 H1 VAL A 702 18.145 -4.806 3.503 1.00 0.00 H +ATOM 9 H2 VAL A 702 16.749 -4.914 4.375 1.00 0.00 H +ATOM 10 H3 VAL A 702 17.401 -6.265 3.692 1.00 0.00 H +ATOM 11 HA VAL A 702 16.297 -3.959 2.261 1.00 0.00 H +ATOM 12 HB VAL A 702 16.745 -6.371 0.701 1.00 0.00 H +ATOM 13 HG11 VAL A 702 16.218 -4.107 -0.165 1.00 0.00 H +ATOM 14 HG12 VAL A 702 17.764 -3.507 0.483 1.00 0.00 H +ATOM 15 HG13 VAL A 702 17.755 -4.719 -0.820 1.00 0.00 H +ATOM 16 HG21 VAL A 702 18.706 -6.665 2.199 1.00 0.00 H +ATOM 17 HG22 VAL A 702 19.202 -6.206 0.553 1.00 0.00 H +ATOM 18 HG23 VAL A 702 19.210 -4.993 1.856 1.00 0.00 H +ATOM 19 N VAL A 703 14.094 -5.132 1.779 1.00 0.00 N +ATOM 20 CA VAL A 703 12.691 -5.557 1.687 1.00 0.00 C +ATOM 21 C VAL A 703 11.838 -5.067 2.867 1.00 0.00 C +ATOM 22 O VAL A 703 12.356 -4.855 3.964 1.00 0.00 O +ATOM 23 CB VAL A 703 12.517 -7.039 1.368 1.00 0.00 C +ATOM 24 CG1 VAL A 703 12.561 -7.231 -0.150 1.00 0.00 C +ATOM 25 CG2 VAL A 703 13.611 -7.904 2.009 1.00 0.00 C +ATOM 26 H VAL A 703 14.258 -4.278 1.267 1.00 0.00 H +ATOM 27 HA VAL A 703 12.295 -5.033 0.816 1.00 0.00 H +ATOM 28 HB VAL A 703 11.546 -7.368 1.737 1.00 0.00 H +ATOM 29 HG11 VAL A 703 11.787 -6.621 -0.616 1.00 0.00 H +ATOM 30 HG12 VAL A 703 13.538 -6.929 -0.527 1.00 0.00 H +ATOM 31 HG13 VAL A 703 12.388 -8.280 -0.389 1.00 0.00 H +ATOM 32 HG21 VAL A 703 13.589 -7.775 3.091 1.00 0.00 H +ATOM 33 HG22 VAL A 703 13.436 -8.952 1.765 1.00 0.00 H +ATOM 34 HG23 VAL A 703 14.586 -7.600 1.627 1.00 0.00 H +ATOM 35 N VAL A 704 10.530 -4.890 2.610 1.00 0.00 N +ATOM 36 CA VAL A 704 9.475 -4.435 3.521 1.00 0.00 C +ATOM 37 C VAL A 704 9.394 -2.904 3.568 1.00 0.00 C +ATOM 38 O VAL A 704 8.707 -2.346 2.684 1.00 0.00 O +ATOM 39 OXT VAL A 704 10.031 -2.315 4.469 1.00 0.00 O1- +ATOM 40 CB VAL A 704 9.479 -5.131 4.879 1.00 0.00 C +ATOM 41 CG1 VAL A 704 8.109 -5.769 5.116 1.00 0.00 C +ATOM 42 CG2 VAL A 704 10.557 -6.220 4.971 1.00 0.00 C +ATOM 43 H VAL A 704 10.166 -5.080 1.687 1.00 0.00 H +ATOM 44 HA VAL A 704 8.544 -4.750 3.049 1.00 0.00 H +ATOM 45 HB VAL A 704 9.662 -4.388 5.655 1.00 0.00 H +ATOM 46 HG11 VAL A 704 7.336 -5.004 5.054 1.00 0.00 H +ATOM 47 HG12 VAL A 704 7.927 -6.532 4.360 1.00 0.00 H +ATOM 48 HG13 VAL A 704 8.088 -6.227 6.106 1.00 0.00 H +ATOM 49 HG21 VAL A 704 11.538 -5.776 4.803 1.00 0.00 H +ATOM 50 HG22 VAL A 704 10.530 -6.677 5.960 1.00 0.00 H +ATOM 51 HG23 VAL A 704 10.369 -6.982 4.214 1.00 0.00 H +ENDMDL +END diff --git a/test/PDB/Writer/big_file.pdb b/test/PDB/Writer/big_file.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/Writer/big_file.pdb @@ -0,0 +1,12961 @@ +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +ATOM 10 H2 ASP A 1 2.453 -85.542 44.045 1.00 15.00 H +ATOM 11 H3 ASP A 1 1.443 -86.304 45.196 1.00 15.00 H +ATOM 12 N ILE A 2 0.340 -83.582 47.459 1.00 34.73 N +ATOM 13 CA ILE A 2 -0.861 -83.420 48.270 1.00 29.53 C +ATOM 14 C ILE A 2 -1.148 -81.947 48.106 1.00 33.02 C +ATOM 15 O ILE A 2 -0.359 -81.109 48.565 1.00 32.44 O +ATOM 16 CB ILE A 2 -0.578 -83.674 49.774 1.00 30.90 C +ATOM 17 CG1 ILE A 2 -0.020 -85.082 49.986 1.00 32.30 C +ATOM 18 CG2 ILE A 2 -1.839 -83.460 50.599 1.00 19.63 C +ATOM 19 CD1 ILE A 2 0.364 -85.361 51.400 1.00 26.28 C +ATOM 20 H ILE A 2 1.152 -83.139 47.791 1.00 15.00 H +ATOM 21 N VAL A 3 -2.201 -81.617 47.370 1.00 31.53 N +ATOM 22 CA VAL A 3 -2.524 -80.212 47.174 1.00 29.66 C +ATOM 23 C VAL A 3 -3.429 -79.776 48.311 1.00 21.71 C +ATOM 24 O VAL A 3 -4.307 -80.528 48.738 1.00 18.92 O +ATOM 25 CB VAL A 3 -3.181 -79.934 45.777 1.00 32.87 C +ATOM 26 CG1 VAL A 3 -2.164 -80.165 44.639 1.00 28.08 C +ATOM 27 CG2 VAL A 3 -4.406 -80.814 45.576 1.00 39.50 C +ATOM 28 H VAL A 3 -2.776 -82.301 46.990 1.00 15.00 H +ATOM 29 N LEU A 4 -3.112 -78.628 48.893 1.00 12.01 N +ATOM 30 CA LEU A 4 -3.913 -78.072 49.981 1.00 20.96 C +ATOM 31 C LEU A 4 -4.945 -77.089 49.367 1.00 24.70 C +ATOM 32 O LEU A 4 -4.708 -76.532 48.298 1.00 37.20 O +ATOM 33 CB LEU A 4 -2.989 -77.368 50.994 1.00 11.02 C +ATOM 34 CG LEU A 4 -2.251 -78.202 52.058 1.00 2.00 C +ATOM 35 CD1 LEU A 4 -3.103 -78.316 53.293 1.00 12.70 C +ATOM 36 CD2 LEU A 4 -1.905 -79.573 51.573 1.00 2.00 C +ATOM 37 H LEU A 4 -2.335 -78.126 48.581 1.00 15.00 H +ATOM 38 N THR A 5 -6.093 -76.897 50.006 1.00 23.98 N +ATOM 39 CA THR A 5 -7.110 -75.985 49.474 1.00 22.00 C +ATOM 40 C THR A 5 -7.629 -75.019 50.531 1.00 13.21 C +ATOM 41 O THR A 5 -8.547 -75.325 51.303 1.00 16.32 O +ATOM 42 CB THR A 5 -8.306 -76.753 48.847 1.00 30.75 C +ATOM 43 OG1 THR A 5 -7.847 -77.569 47.755 1.00 32.33 O +ATOM 44 CG2 THR A 5 -9.358 -75.770 48.331 1.00 34.90 C +ATOM 45 H THR A 5 -6.253 -77.369 50.841 1.00 15.00 H +ATOM 46 HG1 THR A 5 -7.060 -78.062 48.003 1.00 15.00 H +ATOM 47 N GLN A 6 -6.999 -73.861 50.584 1.00 3.50 N +ATOM 48 CA GLN A 6 -7.379 -72.842 51.537 1.00 2.33 C +ATOM 49 C GLN A 6 -8.592 -72.109 50.980 1.00 12.13 C +ATOM 50 O GLN A 6 -8.693 -71.856 49.772 1.00 13.43 O +ATOM 51 CB GLN A 6 -6.206 -71.904 51.749 1.00 2.00 C +ATOM 52 CG GLN A 6 -6.370 -70.922 52.860 1.00 2.81 C +ATOM 53 CD GLN A 6 -5.075 -70.206 53.169 1.00 11.76 C +ATOM 54 OE1 GLN A 6 -5.041 -69.284 53.982 1.00 25.94 O +ATOM 55 NE2 GLN A 6 -3.995 -70.632 52.534 1.00 6.77 N +ATOM 56 H GLN A 6 -6.288 -73.656 49.948 1.00 15.00 H +ATOM 57 HE21 GLN A 6 -3.211 -70.079 52.682 1.00 15.00 H +ATOM 58 HE22 GLN A 6 -3.989 -71.398 51.924 1.00 15.00 H +ATOM 59 N SER A 7 -9.535 -71.814 51.859 1.00 22.62 N +ATOM 60 CA SER A 7 -10.771 -71.152 51.476 1.00 33.10 C +ATOM 61 C SER A 7 -11.142 -70.215 52.605 1.00 34.30 C +ATOM 62 O SER A 7 -10.922 -70.530 53.768 1.00 46.15 O +ATOM 63 CB SER A 7 -11.890 -72.190 51.295 1.00 36.50 C +ATOM 64 OG SER A 7 -11.405 -73.387 50.697 1.00 38.28 O +ATOM 65 H SER A 7 -9.388 -72.039 52.803 1.00 15.00 H +ATOM 66 HG SER A 7 -10.897 -73.162 49.907 1.00 15.00 H +ATOM 67 N PRO A 8 -11.712 -69.052 52.285 1.00 41.03 N +ATOM 68 CA PRO A 8 -12.014 -68.592 50.934 1.00 47.80 C +ATOM 69 C PRO A 8 -10.702 -68.106 50.346 1.00 52.91 C +ATOM 70 O PRO A 8 -9.641 -68.615 50.707 1.00 63.02 O +ATOM 71 CB PRO A 8 -12.958 -67.430 51.199 1.00 43.94 C +ATOM 72 CG PRO A 8 -12.339 -66.821 52.384 1.00 40.95 C +ATOM 73 CD PRO A 8 -12.045 -68.006 53.266 1.00 44.42 C +ATOM 74 N SER A 9 -10.764 -67.113 49.466 1.00 47.05 N +ATOM 75 CA SER A 9 -9.551 -66.586 48.873 1.00 32.92 C +ATOM 76 C SER A 9 -9.272 -65.181 49.419 1.00 33.70 C +ATOM 77 O SER A 9 -8.125 -64.714 49.428 1.00 36.12 O +ATOM 78 CB SER A 9 -9.671 -66.621 47.355 1.00 36.51 C +ATOM 79 OG SER A 9 -10.193 -67.879 46.940 1.00 27.22 O +ATOM 80 H SER A 9 -11.619 -66.743 49.172 1.00 15.00 H +ATOM 81 HG SER A 9 -9.588 -68.569 47.246 1.00 15.00 H +ATOM 82 N SER A 10 -10.313 -64.535 49.935 1.00 29.09 N +ATOM 83 CA SER A 10 -10.179 -63.201 50.522 1.00 35.83 C +ATOM 84 C SER A 10 -11.367 -62.982 51.432 1.00 33.35 C +ATOM 85 O SER A 10 -12.439 -63.551 51.197 1.00 30.79 O +ATOM 86 CB SER A 10 -10.156 -62.108 49.442 1.00 50.37 C +ATOM 87 OG SER A 10 -11.360 -62.074 48.677 1.00 63.86 O +ATOM 88 H SER A 10 -11.210 -64.918 49.942 1.00 15.00 H +ATOM 89 HG SER A 10 -12.131 -61.983 49.247 1.00 15.00 H +ATOM 90 N LEU A 11 -11.190 -62.163 52.459 1.00 30.28 N +ATOM 91 CA LEU A 11 -12.273 -61.884 53.386 1.00 38.64 C +ATOM 92 C LEU A 11 -12.178 -60.500 53.976 1.00 42.96 C +ATOM 93 O LEU A 11 -11.085 -59.960 54.135 1.00 41.96 O +ATOM 94 CB LEU A 11 -12.305 -62.908 54.526 1.00 49.34 C +ATOM 95 CG LEU A 11 -12.904 -64.276 54.204 1.00 58.79 C +ATOM 96 CD1 LEU A 11 -13.023 -65.106 55.457 1.00 57.90 C +ATOM 97 CD2 LEU A 11 -14.271 -64.106 53.550 1.00 68.51 C +ATOM 98 H LEU A 11 -10.319 -61.737 52.623 1.00 15.00 H +ATOM 99 N SER A 12 -13.337 -59.940 54.302 1.00 47.46 N +ATOM 100 CA SER A 12 -13.426 -58.624 54.907 1.00 51.49 C +ATOM 101 C SER A 12 -14.330 -58.761 56.109 1.00 53.03 C +ATOM 102 O SER A 12 -15.319 -59.488 56.057 1.00 57.83 O +ATOM 103 CB SER A 12 -14.023 -57.620 53.926 1.00 52.56 C +ATOM 104 OG SER A 12 -15.237 -58.101 53.381 1.00 55.59 O +ATOM 105 H SER A 12 -14.188 -60.403 54.151 1.00 15.00 H +ATOM 106 HG SER A 12 -15.885 -58.238 54.084 1.00 15.00 H +ATOM 107 N ALA A 13 -13.977 -58.091 57.195 1.00 55.58 N +ATOM 108 CA ALA A 13 -14.773 -58.129 58.413 1.00 61.84 C +ATOM 109 C ALA A 13 -14.382 -56.948 59.289 1.00 66.09 C +ATOM 110 O ALA A 13 -13.322 -56.343 59.099 1.00 66.86 O +ATOM 111 CB ALA A 13 -14.558 -59.444 59.155 1.00 67.28 C +ATOM 112 H ALA A 13 -13.144 -57.565 57.207 1.00 15.00 H +ATOM 113 N SER A 14 -15.254 -56.601 60.225 1.00 67.67 N +ATOM 114 CA SER A 14 -15.005 -55.478 61.108 1.00 75.39 C +ATOM 115 C SER A 14 -14.017 -55.839 62.196 1.00 79.30 C +ATOM 116 O SER A 14 -13.782 -57.019 62.463 1.00 78.00 O +ATOM 117 CB SER A 14 -16.316 -55.026 61.747 1.00 80.07 C +ATOM 118 OG SER A 14 -17.345 -54.942 60.777 1.00 89.05 O +ATOM 119 H SER A 14 -16.089 -57.092 60.338 1.00 15.00 H +ATOM 120 HG SER A 14 -18.137 -54.590 61.195 1.00 15.00 H +ATOM 121 N LEU A 15 -13.453 -54.815 62.830 1.00 87.37 N +ATOM 122 CA LEU A 15 -12.507 -55.005 63.925 1.00 93.89 C +ATOM 123 C LEU A 15 -13.216 -55.790 65.027 1.00 96.25 C +ATOM 124 O LEU A 15 -14.446 -55.754 65.133 1.00 98.36 O +ATOM 125 CB LEU A 15 -12.052 -53.651 64.492 1.00 96.10 C +ATOM 126 CG LEU A 15 -11.130 -52.713 63.702 1.00 99.06 C +ATOM 127 CD1 LEU A 15 -9.756 -53.352 63.527 1.00 98.25 C +ATOM 128 CD2 LEU A 15 -11.750 -52.341 62.359 1.00100.82 C +ATOM 129 H LEU A 15 -13.695 -53.912 62.553 1.00 15.00 H +ATOM 130 N GLY A 16 -12.450 -56.525 65.822 1.00 96.27 N +ATOM 131 CA GLY A 16 -13.047 -57.288 66.902 1.00 97.32 C +ATOM 132 C GLY A 16 -13.767 -58.556 66.483 1.00 94.26 C +ATOM 133 O GLY A 16 -13.989 -59.450 67.307 1.00 98.69 O +ATOM 134 H GLY A 16 -11.481 -56.536 65.675 1.00 15.00 H +ATOM 135 N ASP A 17 -14.134 -58.654 65.213 1.00 86.29 N +ATOM 136 CA ASP A 17 -14.821 -59.840 64.743 1.00 80.26 C +ATOM 137 C ASP A 17 -13.947 -61.074 64.928 1.00 73.90 C +ATOM 138 O ASP A 17 -12.738 -60.983 65.166 1.00 69.19 O +ATOM 139 CB ASP A 17 -15.216 -59.697 63.266 1.00 85.07 C +ATOM 140 CG ASP A 17 -16.475 -58.862 63.066 1.00 86.57 C +ATOM 141 OD1 ASP A 17 -16.553 -57.746 63.625 1.00 87.67 O +ATOM 142 OD2 ASP A 17 -17.386 -59.326 62.343 1.00 82.75 O +ATOM 143 H ASP A 17 -13.964 -57.943 64.564 1.00 15.00 H +ATOM 144 N THR A 18 -14.597 -62.222 64.907 1.00 71.11 N +ATOM 145 CA THR A 18 -13.921 -63.492 65.023 1.00 70.85 C +ATOM 146 C THR A 18 -14.146 -64.060 63.625 1.00 69.47 C +ATOM 147 O THR A 18 -15.277 -64.047 63.131 1.00 67.00 O +ATOM 148 CB THR A 18 -14.603 -64.385 66.080 1.00 71.58 C +ATOM 149 OG1 THR A 18 -14.998 -63.584 67.204 1.00 77.36 O +ATOM 150 CG2 THR A 18 -13.644 -65.452 66.564 1.00 71.51 C +ATOM 151 H THR A 18 -15.569 -62.252 64.794 1.00 15.00 H +ATOM 152 HG1 THR A 18 -14.240 -63.105 67.545 1.00 15.00 H +ATOM 153 N ILE A 19 -13.080 -64.505 62.967 1.00 65.94 N +ATOM 154 CA ILE A 19 -13.192 -65.039 61.610 1.00 57.36 C +ATOM 155 C ILE A 19 -12.465 -66.373 61.439 1.00 56.68 C +ATOM 156 O ILE A 19 -11.428 -66.603 62.061 1.00 63.97 O +ATOM 157 CB ILE A 19 -12.678 -64.006 60.588 1.00 51.11 C +ATOM 158 CG1 ILE A 19 -12.634 -64.606 59.183 1.00 58.46 C +ATOM 159 CG2 ILE A 19 -11.325 -63.473 61.012 1.00 39.69 C +ATOM 160 CD1 ILE A 19 -12.039 -63.668 58.140 1.00 60.47 C +ATOM 161 H ILE A 19 -12.200 -64.508 63.406 1.00 15.00 H +ATOM 162 N THR A 20 -13.005 -67.242 60.588 1.00 51.73 N +ATOM 163 CA THR A 20 -12.414 -68.555 60.368 1.00 52.56 C +ATOM 164 C THR A 20 -11.964 -68.861 58.947 1.00 47.40 C +ATOM 165 O THR A 20 -12.775 -68.928 58.016 1.00 42.12 O +ATOM 166 CB THR A 20 -13.378 -69.672 60.790 1.00 61.86 C +ATOM 167 OG1 THR A 20 -14.640 -69.485 60.135 1.00 76.40 O +ATOM 168 CG2 THR A 20 -13.573 -69.668 62.297 1.00 72.27 C +ATOM 169 H THR A 20 -13.827 -67.042 60.098 1.00 15.00 H +ATOM 170 HG1 THR A 20 -14.477 -69.538 59.181 1.00 15.00 H +ATOM 171 N ILE A 21 -10.670 -69.123 58.812 1.00 42.36 N +ATOM 172 CA ILE A 21 -10.068 -69.462 57.531 1.00 33.60 C +ATOM 173 C ILE A 21 -9.930 -70.975 57.569 1.00 31.74 C +ATOM 174 O ILE A 21 -9.765 -71.538 58.650 1.00 46.74 O +ATOM 175 CB ILE A 21 -8.651 -68.853 57.421 1.00 33.69 C +ATOM 176 CG1 ILE A 21 -8.685 -67.359 57.750 1.00 33.39 C +ATOM 177 CG2 ILE A 21 -8.083 -69.067 56.019 1.00 43.71 C +ATOM 178 CD1 ILE A 21 -7.335 -66.697 57.683 1.00 34.91 C +ATOM 179 H ILE A 21 -10.108 -69.149 59.617 1.00 15.00 H +ATOM 180 N THR A 22 -10.006 -71.652 56.430 1.00 17.93 N +ATOM 181 CA THR A 22 -9.855 -73.098 56.465 1.00 17.98 C +ATOM 182 C THR A 22 -8.953 -73.676 55.375 1.00 24.83 C +ATOM 183 O THR A 22 -8.711 -73.040 54.357 1.00 34.99 O +ATOM 184 CB THR A 22 -11.212 -73.815 56.427 1.00 9.57 C +ATOM 185 OG1 THR A 22 -11.494 -74.240 55.085 1.00 13.81 O +ATOM 186 CG2 THR A 22 -12.318 -72.899 56.933 1.00 12.95 C +ATOM 187 H THR A 22 -10.155 -71.196 55.573 1.00 15.00 H +ATOM 188 HG1 THR A 22 -11.521 -73.445 54.535 1.00 15.00 H +ATOM 189 N CYS A 23 -8.458 -74.888 55.599 1.00 23.89 N +ATOM 190 CA CYS A 23 -7.613 -75.563 54.636 1.00 21.85 C +ATOM 191 C CYS A 23 -8.061 -76.998 54.551 1.00 23.49 C +ATOM 192 O CYS A 23 -8.602 -77.546 55.517 1.00 26.33 O +ATOM 193 CB CYS A 23 -6.146 -75.500 55.049 1.00 20.82 C +ATOM 194 SG CYS A 23 -5.203 -74.368 53.988 1.00 47.90 S +ATOM 195 H CYS A 23 -8.678 -75.365 56.422 1.00 15.00 H +ATOM 196 N HIS A 24 -7.887 -77.598 53.382 1.00 13.92 N +ATOM 197 CA HIS A 24 -8.274 -78.981 53.190 1.00 18.39 C +ATOM 198 C HIS A 24 -7.192 -79.649 52.437 1.00 25.60 C +ATOM 199 O HIS A 24 -6.487 -79.000 51.672 1.00 34.98 O +ATOM 200 CB HIS A 24 -9.571 -79.099 52.419 1.00 30.78 C +ATOM 201 CG HIS A 24 -10.757 -78.704 53.225 1.00 48.47 C +ATOM 202 ND1 HIS A 24 -11.046 -77.388 53.515 1.00 60.24 N +ATOM 203 CD2 HIS A 24 -11.666 -79.450 53.895 1.00 46.91 C +ATOM 204 CE1 HIS A 24 -12.079 -77.338 54.336 1.00 59.35 C +ATOM 205 NE2 HIS A 24 -12.472 -78.576 54.583 1.00 57.89 N +ATOM 206 H HIS A 24 -7.472 -77.117 52.636 1.00 15.00 H +ATOM 207 HD1 HIS A 24 -10.585 -76.584 53.177 1.00 15.00 H +ATOM 208 HE2 HIS A 24 -13.206 -78.820 55.188 1.00 15.00 H +ATOM 209 N ALA A 25 -7.076 -80.954 52.610 1.00 22.93 N +ATOM 210 CA ALA A 25 -6.024 -81.655 51.933 1.00 21.43 C +ATOM 211 C ALA A 25 -6.538 -82.856 51.205 1.00 20.63 C +ATOM 212 O ALA A 25 -7.522 -83.474 51.622 1.00 18.66 O +ATOM 213 CB ALA A 25 -4.937 -82.053 52.929 1.00 22.29 C +ATOM 214 H ALA A 25 -7.671 -81.470 53.194 1.00 15.00 H +ATOM 215 N SER A 26 -5.891 -83.141 50.078 1.00 24.66 N +ATOM 216 CA SER A 26 -6.230 -84.300 49.274 1.00 28.89 C +ATOM 217 C SER A 26 -6.040 -85.518 50.175 1.00 34.22 C +ATOM 218 O SER A 26 -7.014 -86.054 50.707 1.00 43.29 O +ATOM 219 CB SER A 26 -5.336 -84.396 48.021 1.00 20.41 C +ATOM 220 OG SER A 26 -4.158 -83.603 48.110 1.00 24.14 O +ATOM 221 H SER A 26 -5.156 -82.562 49.780 1.00 15.00 H +ATOM 222 HG SER A 26 -3.780 -83.679 47.229 1.00 15.00 H +ATOM 223 N GLN A 27 -4.781 -85.875 50.432 1.00 24.53 N +ATOM 224 CA GLN A 27 -4.451 -87.020 51.273 1.00 22.32 C +ATOM 225 C GLN A 27 -4.407 -86.612 52.744 1.00 17.38 C +ATOM 226 O GLN A 27 -4.266 -85.438 53.047 1.00 17.95 O +ATOM 227 CB GLN A 27 -3.092 -87.605 50.847 1.00 32.47 C +ATOM 228 CG GLN A 27 -3.030 -88.069 49.389 1.00 43.77 C +ATOM 229 CD GLN A 27 -1.743 -88.800 49.045 1.00 56.57 C +ATOM 230 OE1 GLN A 27 -1.115 -89.411 49.906 1.00 70.06 O +ATOM 231 NE2 GLN A 27 -1.354 -88.754 47.777 1.00 61.56 N +ATOM 232 H GLN A 27 -4.057 -85.313 50.093 1.00 15.00 H +ATOM 233 HE21 GLN A 27 -0.529 -89.236 47.576 1.00 15.00 H +ATOM 234 HE22 GLN A 27 -1.893 -88.264 47.128 1.00 15.00 H +ATOM 235 N ASN A 28 -4.498 -87.586 53.647 1.00 25.54 N +ATOM 236 CA ASN A 28 -4.451 -87.331 55.094 1.00 23.92 C +ATOM 237 C ASN A 28 -3.065 -86.831 55.473 1.00 18.34 C +ATOM 238 O ASN A 28 -2.074 -87.371 54.980 1.00 27.20 O +ATOM 239 CB ASN A 28 -4.752 -88.622 55.863 1.00 32.79 C +ATOM 240 CG ASN A 28 -4.794 -88.413 57.365 1.00 40.83 C +ATOM 241 OD1 ASN A 28 -4.756 -87.286 57.848 1.00 45.43 O +ATOM 242 ND2 ASN A 28 -4.889 -89.503 58.110 1.00 43.92 N +ATOM 243 H ASN A 28 -4.578 -88.501 53.329 1.00 15.00 H +ATOM 244 HD21 ASN A 28 -4.870 -89.373 59.085 1.00 15.00 H +ATOM 245 HD22 ASN A 28 -4.949 -90.379 57.685 1.00 15.00 H +ATOM 246 N ILE A 29 -2.995 -85.799 56.320 1.00 12.18 N +ATOM 247 CA ILE A 29 -1.718 -85.208 56.766 1.00 4.22 C +ATOM 248 C ILE A 29 -1.615 -85.178 58.291 1.00 11.80 C +ATOM 249 O ILE A 29 -0.825 -84.423 58.881 1.00 2.00 O +ATOM 250 CB ILE A 29 -1.502 -83.780 56.230 1.00 8.13 C +ATOM 251 CG1 ILE A 29 -2.653 -82.873 56.637 1.00 5.39 C +ATOM 252 CG2 ILE A 29 -1.406 -83.787 54.722 1.00 9.57 C +ATOM 253 CD1 ILE A 29 -2.399 -81.437 56.302 1.00 16.95 C +ATOM 254 H ILE A 29 -3.842 -85.436 56.659 1.00 15.00 H +ATOM 255 N ASN A 30 -2.464 -85.990 58.912 1.00 9.43 N +ATOM 256 CA ASN A 30 -2.500 -86.160 60.343 1.00 2.00 C +ATOM 257 C ASN A 30 -2.693 -84.876 61.101 1.00 4.70 C +ATOM 258 O ASN A 30 -3.816 -84.497 61.406 1.00 15.28 O +ATOM 259 CB ASN A 30 -1.229 -86.854 60.810 1.00 2.00 C +ATOM 260 CG ASN A 30 -0.875 -88.043 59.944 1.00 19.93 C +ATOM 261 OD1 ASN A 30 -1.680 -88.977 59.774 1.00 6.22 O +ATOM 262 ND2 ASN A 30 0.316 -87.996 59.344 1.00 4.30 N +ATOM 263 H ASN A 30 -3.108 -86.502 58.381 1.00 15.00 H +ATOM 264 HD21 ASN A 30 0.519 -88.826 58.854 1.00 15.00 H +ATOM 265 HD22 ASN A 30 0.922 -87.248 59.408 1.00 15.00 H +ATOM 266 N VAL A 31 -1.607 -84.187 61.397 1.00 2.00 N +ATOM 267 CA VAL A 31 -1.722 -82.968 62.169 1.00 5.19 C +ATOM 268 C VAL A 31 -0.587 -82.029 61.789 1.00 7.67 C +ATOM 269 O VAL A 31 -0.402 -80.951 62.371 1.00 14.29 O +ATOM 270 CB VAL A 31 -1.751 -83.318 63.682 1.00 15.87 C +ATOM 271 CG1 VAL A 31 -0.617 -84.264 64.026 1.00 14.06 C +ATOM 272 CG2 VAL A 31 -1.703 -82.069 64.551 1.00 23.78 C +ATOM 273 H VAL A 31 -0.731 -84.473 61.066 1.00 15.00 H +ATOM 274 N TRP A 32 0.094 -82.407 60.716 1.00 4.96 N +ATOM 275 CA TRP A 32 1.213 -81.650 60.179 1.00 11.06 C +ATOM 276 C TRP A 32 0.772 -80.454 59.331 1.00 13.07 C +ATOM 277 O TRP A 32 0.838 -80.498 58.110 1.00 22.83 O +ATOM 278 CB TRP A 32 2.072 -82.605 59.367 1.00 13.28 C +ATOM 279 CG TRP A 32 2.322 -83.829 60.163 1.00 28.81 C +ATOM 280 CD1 TRP A 32 1.882 -85.105 59.894 1.00 38.70 C +ATOM 281 CD2 TRP A 32 2.962 -83.888 61.436 1.00 27.19 C +ATOM 282 NE1 TRP A 32 2.203 -85.945 60.934 1.00 30.70 N +ATOM 283 CE2 TRP A 32 2.866 -85.223 61.894 1.00 28.19 C +ATOM 284 CE3 TRP A 32 3.601 -82.939 62.245 1.00 26.51 C +ATOM 285 CZ2 TRP A 32 3.387 -85.628 63.124 1.00 24.20 C +ATOM 286 CZ3 TRP A 32 4.121 -83.346 63.472 1.00 28.88 C +ATOM 287 CH2 TRP A 32 4.011 -84.677 63.897 1.00 18.16 C +ATOM 288 H TRP A 32 -0.184 -83.194 60.215 1.00 15.00 H +ATOM 289 HE1 TRP A 32 2.061 -86.921 60.997 1.00 15.00 H +ATOM 290 N LEU A 33 0.301 -79.400 59.982 1.00 8.66 N +ATOM 291 CA LEU A 33 -0.135 -78.217 59.268 1.00 12.67 C +ATOM 292 C LEU A 33 0.356 -76.962 59.948 1.00 16.79 C +ATOM 293 O LEU A 33 0.165 -76.775 61.145 1.00 23.94 O +ATOM 294 CB LEU A 33 -1.654 -78.146 59.184 1.00 15.21 C +ATOM 295 CG LEU A 33 -2.049 -76.982 58.268 1.00 26.09 C +ATOM 296 CD1 LEU A 33 -2.170 -77.457 56.820 1.00 28.52 C +ATOM 297 CD2 LEU A 33 -3.336 -76.374 58.722 1.00 23.52 C +ATOM 298 H LEU A 33 0.235 -79.414 60.959 1.00 15.00 H +ATOM 299 N SER A 34 0.940 -76.074 59.169 1.00 17.00 N +ATOM 300 CA SER A 34 1.445 -74.833 59.704 1.00 14.45 C +ATOM 301 C SER A 34 0.549 -73.705 59.216 1.00 10.46 C +ATOM 302 O SER A 34 -0.340 -73.929 58.404 1.00 14.03 O +ATOM 303 CB SER A 34 2.873 -74.679 59.221 1.00 17.41 C +ATOM 304 OG SER A 34 3.457 -75.978 59.178 1.00 24.14 O +ATOM 305 H SER A 34 1.082 -76.264 58.221 1.00 15.00 H +ATOM 306 HG SER A 34 4.374 -75.987 58.879 1.00 15.00 H +ATOM 307 N TRP A 35 0.722 -72.515 59.767 1.00 11.62 N +ATOM 308 CA TRP A 35 -0.072 -71.362 59.368 1.00 12.41 C +ATOM 309 C TRP A 35 0.844 -70.173 59.430 1.00 19.66 C +ATOM 310 O TRP A 35 1.414 -69.890 60.482 1.00 13.71 O +ATOM 311 CB TRP A 35 -1.241 -71.131 60.311 1.00 5.35 C +ATOM 312 CG TRP A 35 -2.338 -72.114 60.168 1.00 14.36 C +ATOM 313 CD1 TRP A 35 -2.507 -73.264 60.886 1.00 27.64 C +ATOM 314 CD2 TRP A 35 -3.449 -72.039 59.272 1.00 14.99 C +ATOM 315 NE1 TRP A 35 -3.664 -73.909 60.498 1.00 23.14 N +ATOM 316 CE2 TRP A 35 -4.258 -73.181 59.505 1.00 19.94 C +ATOM 317 CE3 TRP A 35 -3.837 -71.131 58.292 1.00 8.41 C +ATOM 318 CZ2 TRP A 35 -5.427 -73.430 58.792 1.00 16.65 C +ATOM 319 CZ3 TRP A 35 -4.999 -71.382 57.583 1.00 13.84 C +ATOM 320 CH2 TRP A 35 -5.780 -72.523 57.836 1.00 17.88 C +ATOM 321 H TRP A 35 1.387 -72.421 60.480 1.00 15.00 H +ATOM 322 HE1 TRP A 35 -3.986 -74.746 60.900 1.00 15.00 H +ATOM 323 N TYR A 36 0.986 -69.492 58.297 1.00 28.04 N +ATOM 324 CA TYR A 36 1.855 -68.332 58.178 1.00 19.77 C +ATOM 325 C TYR A 36 1.091 -67.040 57.932 1.00 17.53 C +ATOM 326 O TYR A 36 -0.007 -67.041 57.375 1.00 16.40 O +ATOM 327 CB TYR A 36 2.860 -68.566 57.051 1.00 17.40 C +ATOM 328 CG TYR A 36 3.725 -69.789 57.252 1.00 2.00 C +ATOM 329 CD1 TYR A 36 4.826 -69.751 58.085 1.00 10.28 C +ATOM 330 CD2 TYR A 36 3.417 -70.984 56.639 1.00 12.49 C +ATOM 331 CE1 TYR A 36 5.596 -70.877 58.307 1.00 17.76 C +ATOM 332 CE2 TYR A 36 4.181 -72.119 56.856 1.00 14.59 C +ATOM 333 CZ TYR A 36 5.264 -72.055 57.694 1.00 17.27 C +ATOM 334 OH TYR A 36 5.987 -73.184 57.955 1.00 27.83 O +ATOM 335 H TYR A 36 0.464 -69.758 57.511 1.00 15.00 H +ATOM 336 HH TYR A 36 5.679 -73.881 57.365 1.00 15.00 H +ATOM 337 N GLN A 37 1.685 -65.936 58.351 1.00 20.79 N +ATOM 338 CA GLN A 37 1.079 -64.632 58.173 1.00 25.35 C +ATOM 339 C GLN A 37 2.048 -63.714 57.442 1.00 30.90 C +ATOM 340 O GLN A 37 3.170 -63.487 57.906 1.00 31.22 O +ATOM 341 CB GLN A 37 0.721 -64.031 59.529 1.00 34.61 C +ATOM 342 CG GLN A 37 0.464 -62.539 59.480 1.00 39.01 C +ATOM 343 CD GLN A 37 -0.121 -62.007 60.757 1.00 44.38 C +ATOM 344 OE1 GLN A 37 -1.326 -62.100 60.983 1.00 47.37 O +ATOM 345 NE2 GLN A 37 0.728 -61.452 61.611 1.00 40.15 N +ATOM 346 H GLN A 37 2.566 -65.996 58.785 1.00 15.00 H +ATOM 347 HE21 GLN A 37 0.331 -61.076 62.425 1.00 15.00 H +ATOM 348 HE22 GLN A 37 1.679 -61.426 61.399 1.00 15.00 H +ATOM 349 N GLN A 38 1.595 -63.164 56.317 1.00 37.07 N +ATOM 350 CA GLN A 38 2.409 -62.261 55.490 1.00 40.95 C +ATOM 351 C GLN A 38 1.721 -60.898 55.308 1.00 42.58 C +ATOM 352 O GLN A 38 0.811 -60.744 54.474 1.00 37.02 O +ATOM 353 CB GLN A 38 2.667 -62.917 54.120 1.00 34.19 C +ATOM 354 CG GLN A 38 3.637 -62.194 53.187 1.00 27.78 C +ATOM 355 CD GLN A 38 3.835 -62.944 51.858 1.00 33.44 C +ATOM 356 OE1 GLN A 38 2.900 -63.539 51.332 1.00 26.01 O +ATOM 357 NE2 GLN A 38 5.054 -62.912 51.319 1.00 18.72 N +ATOM 358 H GLN A 38 0.689 -63.387 56.021 1.00 15.00 H +ATOM 359 HE21 GLN A 38 5.245 -63.358 50.474 1.00 15.00 H +ATOM 360 HE22 GLN A 38 5.735 -62.402 51.806 1.00 15.00 H +ATOM 361 N LYS A 39 2.093 -59.933 56.146 1.00 43.59 N +ATOM 362 CA LYS A 39 1.515 -58.601 56.044 1.00 50.51 C +ATOM 363 C LYS A 39 2.183 -57.938 54.857 1.00 55.36 C +ATOM 364 O LYS A 39 3.404 -57.979 54.736 1.00 60.97 O +ATOM 365 CB LYS A 39 1.725 -57.798 57.333 1.00 51.40 C +ATOM 366 CG LYS A 39 0.628 -58.047 58.379 1.00 59.54 C +ATOM 367 CD LYS A 39 0.754 -57.189 59.639 1.00 66.03 C +ATOM 368 CE LYS A 39 1.947 -57.603 60.493 1.00 69.79 C +ATOM 369 NZ LYS A 39 1.959 -56.932 61.821 1.00 65.71 N +ATOM 370 H LYS A 39 2.787 -60.105 56.816 1.00 15.00 H +ATOM 371 HZ1 LYS A 39 1.983 -55.900 61.694 1.00 15.00 H +ATOM 372 HZ2 LYS A 39 1.099 -57.194 62.342 1.00 15.00 H +ATOM 373 HZ3 LYS A 39 2.797 -57.234 62.357 1.00 15.00 H +ATOM 374 N PRO A 40 1.385 -57.360 53.940 1.00 60.74 N +ATOM 375 CA PRO A 40 1.833 -56.677 52.720 1.00 59.47 C +ATOM 376 C PRO A 40 3.205 -56.023 52.807 1.00 60.14 C +ATOM 377 O PRO A 40 3.392 -54.998 53.470 1.00 51.98 O +ATOM 378 CB PRO A 40 0.723 -55.670 52.481 1.00 56.91 C +ATOM 379 CG PRO A 40 -0.484 -56.484 52.824 1.00 67.17 C +ATOM 380 CD PRO A 40 -0.069 -57.188 54.117 1.00 63.88 C +ATOM 381 N GLY A 41 4.166 -56.650 52.139 1.00 61.51 N +ATOM 382 CA GLY A 41 5.520 -56.148 52.146 1.00 67.83 C +ATOM 383 C GLY A 41 6.445 -57.040 52.951 1.00 76.18 C +ATOM 384 O GLY A 41 7.279 -57.736 52.375 1.00 85.74 O +ATOM 385 H GLY A 41 3.983 -57.488 51.669 1.00 15.00 H +ATOM 386 N ASN A 42 6.269 -57.052 54.272 1.00 78.03 N +ATOM 387 CA ASN A 42 7.106 -57.842 55.184 1.00 79.25 C +ATOM 388 C ASN A 42 7.113 -59.341 54.827 1.00 79.32 C +ATOM 389 O ASN A 42 6.305 -59.799 54.010 1.00 80.01 O +ATOM 390 CB ASN A 42 6.630 -57.629 56.635 1.00 83.81 C +ATOM 391 CG ASN A 42 7.707 -57.948 57.681 1.00 87.77 C +ATOM 392 OD1 ASN A 42 8.884 -58.098 57.358 1.00 87.44 O +ATOM 393 ND2 ASN A 42 7.299 -58.029 58.945 1.00 89.94 N +ATOM 394 H ASN A 42 5.504 -56.553 54.621 1.00 15.00 H +ATOM 395 HD21 ASN A 42 7.983 -58.229 59.615 1.00 15.00 H +ATOM 396 HD22 ASN A 42 6.351 -57.892 59.147 1.00 15.00 H +ATOM 397 N ILE A 43 8.041 -60.090 55.423 1.00 75.47 N +ATOM 398 CA ILE A 43 8.168 -61.533 55.184 1.00 68.20 C +ATOM 399 C ILE A 43 7.149 -62.347 55.991 1.00 61.12 C +ATOM 400 O ILE A 43 6.487 -61.823 56.896 1.00 61.07 O +ATOM 401 CB ILE A 43 9.597 -62.048 55.526 1.00 69.58 C +ATOM 402 CG1 ILE A 43 9.891 -61.892 57.022 1.00 77.71 C +ATOM 403 CG2 ILE A 43 10.630 -61.299 54.713 1.00 72.55 C +ATOM 404 CD1 ILE A 43 11.259 -62.403 57.440 1.00 82.80 C +ATOM 405 H ILE A 43 8.664 -59.657 56.043 1.00 15.00 H +ATOM 406 N PRO A 44 6.958 -63.626 55.630 1.00 52.14 N +ATOM 407 CA PRO A 44 5.997 -64.415 56.392 1.00 46.70 C +ATOM 408 C PRO A 44 6.605 -64.878 57.710 1.00 43.50 C +ATOM 409 O PRO A 44 7.800 -65.192 57.803 1.00 36.95 O +ATOM 410 CB PRO A 44 5.706 -65.583 55.456 1.00 41.80 C +ATOM 411 CG PRO A 44 7.001 -65.794 54.782 1.00 33.83 C +ATOM 412 CD PRO A 44 7.428 -64.381 54.455 1.00 47.49 C +ATOM 413 N LYS A 45 5.792 -64.838 58.747 1.00 38.67 N +ATOM 414 CA LYS A 45 6.237 -65.274 60.045 1.00 39.49 C +ATOM 415 C LYS A 45 5.381 -66.474 60.371 1.00 31.15 C +ATOM 416 O LYS A 45 4.231 -66.566 59.928 1.00 31.20 O +ATOM 417 CB LYS A 45 6.040 -64.172 61.088 1.00 56.28 C +ATOM 418 CG LYS A 45 6.955 -62.949 60.926 1.00 71.33 C +ATOM 419 CD LYS A 45 8.436 -63.332 60.997 1.00 86.23 C +ATOM 420 CE LYS A 45 9.370 -62.111 60.985 1.00 88.59 C +ATOM 421 NZ LYS A 45 9.348 -61.342 62.264 1.00 94.94 N +ATOM 422 H LYS A 45 4.875 -64.508 58.640 1.00 15.00 H +ATOM 423 HZ1 LYS A 45 9.645 -61.961 63.046 1.00 15.00 H +ATOM 424 HZ2 LYS A 45 9.997 -60.533 62.194 1.00 15.00 H +ATOM 425 HZ3 LYS A 45 8.383 -60.999 62.441 1.00 15.00 H +ATOM 426 N LEU A 46 5.970 -67.421 61.090 1.00 30.02 N +ATOM 427 CA LEU A 46 5.271 -68.632 61.488 1.00 27.83 C +ATOM 428 C LEU A 46 4.271 -68.301 62.596 1.00 24.21 C +ATOM 429 O LEU A 46 4.635 -67.719 63.614 1.00 22.00 O +ATOM 430 CB LEU A 46 6.271 -69.672 61.988 1.00 23.07 C +ATOM 431 CG LEU A 46 5.850 -71.135 61.856 1.00 23.59 C +ATOM 432 CD1 LEU A 46 6.880 -71.987 62.542 1.00 27.80 C +ATOM 433 CD2 LEU A 46 4.489 -71.397 62.453 1.00 18.88 C +ATOM 434 H LEU A 46 6.898 -67.296 61.376 1.00 15.00 H +ATOM 435 N LEU A 47 3.026 -68.722 62.408 1.00 25.15 N +ATOM 436 CA LEU A 47 1.964 -68.470 63.372 1.00 26.85 C +ATOM 437 C LEU A 47 1.588 -69.706 64.187 1.00 27.58 C +ATOM 438 O LEU A 47 1.436 -69.633 65.411 1.00 26.78 O +ATOM 439 CB LEU A 47 0.729 -67.973 62.631 1.00 30.67 C +ATOM 440 CG LEU A 47 0.089 -66.675 63.102 1.00 30.61 C +ATOM 441 CD1 LEU A 47 1.143 -65.579 63.239 1.00 28.39 C +ATOM 442 CD2 LEU A 47 -0.984 -66.289 62.100 1.00 36.83 C +ATOM 443 H LEU A 47 2.813 -69.203 61.584 1.00 15.00 H +ATOM 444 N ILE A 48 1.434 -70.839 63.509 1.00 22.47 N +ATOM 445 CA ILE A 48 1.050 -72.075 64.171 1.00 12.99 C +ATOM 446 C ILE A 48 1.621 -73.287 63.488 1.00 16.31 C +ATOM 447 O ILE A 48 1.694 -73.346 62.260 1.00 26.76 O +ATOM 448 CB ILE A 48 -0.466 -72.203 64.183 1.00 14.53 C +ATOM 449 CG1 ILE A 48 -1.037 -71.273 65.243 1.00 17.76 C +ATOM 450 CG2 ILE A 48 -0.902 -73.651 64.376 1.00 4.00 C +ATOM 451 CD1 ILE A 48 -2.529 -71.155 65.187 1.00 39.53 C +ATOM 452 H ILE A 48 1.576 -70.848 62.541 1.00 15.00 H +ATOM 453 N TYR A 49 2.044 -74.248 64.293 1.00 20.34 N +ATOM 454 CA TYR A 49 2.580 -75.491 63.772 1.00 24.75 C +ATOM 455 C TYR A 49 1.790 -76.576 64.445 1.00 19.76 C +ATOM 456 O TYR A 49 0.962 -76.277 65.314 1.00 15.40 O +ATOM 457 CB TYR A 49 4.075 -75.636 64.063 1.00 28.22 C +ATOM 458 CG TYR A 49 4.500 -75.495 65.512 1.00 50.56 C +ATOM 459 CD1 TYR A 49 4.157 -74.370 66.263 1.00 59.22 C +ATOM 460 CD2 TYR A 49 5.306 -76.464 66.115 1.00 59.48 C +ATOM 461 CE1 TYR A 49 4.613 -74.211 67.579 1.00 67.28 C +ATOM 462 CE2 TYR A 49 5.766 -76.314 67.429 1.00 64.19 C +ATOM 463 CZ TYR A 49 5.417 -75.187 68.155 1.00 66.87 C +ATOM 464 OH TYR A 49 5.870 -75.035 69.449 1.00 70.24 O +ATOM 465 H TYR A 49 1.931 -74.149 65.256 1.00 15.00 H +ATOM 466 HH TYR A 49 6.171 -75.882 69.790 1.00 15.00 H +ATOM 467 N LYS A 50 1.974 -77.812 63.981 1.00 17.31 N +ATOM 468 CA LYS A 50 1.289 -78.969 64.554 1.00 13.13 C +ATOM 469 C LYS A 50 -0.158 -78.583 64.844 1.00 14.71 C +ATOM 470 O LYS A 50 -0.560 -78.456 66.001 1.00 14.40 O +ATOM 471 CB LYS A 50 2.003 -79.382 65.849 1.00 28.43 C +ATOM 472 CG LYS A 50 2.336 -80.870 65.970 1.00 43.07 C +ATOM 473 CD LYS A 50 3.278 -81.173 67.153 1.00 47.11 C +ATOM 474 CE LYS A 50 2.725 -80.683 68.501 1.00 54.60 C +ATOM 475 NZ LYS A 50 1.433 -81.322 68.924 1.00 58.24 N +ATOM 476 H LYS A 50 2.584 -77.933 63.226 1.00 15.00 H +ATOM 477 HZ1 LYS A 50 0.720 -81.214 68.173 1.00 15.00 H +ATOM 478 HZ2 LYS A 50 1.584 -82.324 69.122 1.00 15.00 H +ATOM 479 HZ3 LYS A 50 1.093 -80.854 69.787 1.00 15.00 H +ATOM 480 N ALA A 51 -0.852 -78.213 63.775 1.00 14.46 N +ATOM 481 CA ALA A 51 -2.254 -77.805 63.774 1.00 7.70 C +ATOM 482 C ALA A 51 -2.729 -76.777 64.793 1.00 16.34 C +ATOM 483 O ALA A 51 -3.383 -75.804 64.426 1.00 21.55 O +ATOM 484 CB ALA A 51 -3.146 -79.007 63.793 1.00 4.79 C +ATOM 485 H ALA A 51 -0.383 -78.171 62.915 1.00 15.00 H +ATOM 486 N SER A 52 -2.466 -77.001 66.070 1.00 19.26 N +ATOM 487 CA SER A 52 -2.909 -76.063 67.082 1.00 24.74 C +ATOM 488 C SER A 52 -1.780 -75.343 67.784 1.00 28.75 C +ATOM 489 O SER A 52 -1.967 -74.247 68.313 1.00 36.67 O +ATOM 490 CB SER A 52 -3.769 -76.790 68.106 1.00 27.84 C +ATOM 491 OG SER A 52 -3.152 -78.007 68.493 1.00 55.80 O +ATOM 492 H SER A 52 -2.093 -77.818 66.398 1.00 15.00 H +ATOM 493 HG SER A 52 -3.240 -78.613 67.753 1.00 15.00 H +ATOM 494 N ASN A 53 -0.594 -75.929 67.756 1.00 33.83 N +ATOM 495 CA ASN A 53 0.527 -75.316 68.441 1.00 38.31 C +ATOM 496 C ASN A 53 0.840 -73.900 68.026 1.00 35.87 C +ATOM 497 O ASN A 53 1.284 -73.657 66.907 1.00 45.52 O +ATOM 498 CB ASN A 53 1.768 -76.178 68.309 1.00 41.04 C +ATOM 499 CG ASN A 53 1.850 -77.209 69.385 1.00 50.49 C +ATOM 500 OD1 ASN A 53 2.791 -77.212 70.172 1.00 59.60 O +ATOM 501 ND2 ASN A 53 0.847 -78.079 69.458 1.00 51.04 N +ATOM 502 H ASN A 53 -0.451 -76.729 67.206 1.00 15.00 H +ATOM 503 HD21 ASN A 53 0.907 -78.745 70.172 1.00 15.00 H +ATOM 504 HD22 ASN A 53 0.108 -78.022 68.819 1.00 15.00 H +ATOM 505 N LEU A 54 0.583 -72.962 68.926 1.00 28.77 N +ATOM 506 CA LEU A 54 0.881 -71.566 68.651 1.00 36.53 C +ATOM 507 C LEU A 54 2.374 -71.334 68.757 1.00 36.99 C +ATOM 508 O LEU A 54 3.032 -71.903 69.625 1.00 40.51 O +ATOM 509 CB LEU A 54 0.173 -70.641 69.640 1.00 33.91 C +ATOM 510 CG LEU A 54 -1.188 -70.128 69.188 1.00 38.06 C +ATOM 511 CD1 LEU A 54 -2.160 -71.286 69.070 1.00 33.77 C +ATOM 512 CD2 LEU A 54 -1.691 -69.093 70.174 1.00 46.53 C +ATOM 513 H LEU A 54 0.195 -73.211 69.785 1.00 15.00 H +ATOM 514 N HIS A 55 2.904 -70.490 67.879 1.00 43.90 N +ATOM 515 CA HIS A 55 4.327 -70.167 67.887 1.00 45.12 C +ATOM 516 C HIS A 55 4.546 -69.004 68.847 1.00 46.50 C +ATOM 517 O HIS A 55 3.590 -68.343 69.268 1.00 49.13 O +ATOM 518 CB HIS A 55 4.779 -69.766 66.483 1.00 49.71 C +ATOM 519 CG HIS A 55 6.263 -69.640 66.332 1.00 53.28 C +ATOM 520 ND1 HIS A 55 7.124 -70.700 66.516 1.00 57.90 N +ATOM 521 CD2 HIS A 55 7.036 -68.589 65.968 1.00 55.18 C +ATOM 522 CE1 HIS A 55 8.363 -70.310 66.269 1.00 60.02 C +ATOM 523 NE2 HIS A 55 8.336 -69.033 65.935 1.00 60.52 N +ATOM 524 H HIS A 55 2.311 -70.042 67.236 1.00 15.00 H +ATOM 525 HD1 HIS A 55 6.877 -71.618 66.778 1.00 15.00 H +ATOM 526 HE2 HIS A 55 9.112 -68.480 65.677 1.00 15.00 H +ATOM 527 N THR A 56 5.803 -68.758 69.195 1.00 43.73 N +ATOM 528 CA THR A 56 6.147 -67.669 70.097 1.00 44.10 C +ATOM 529 C THR A 56 5.513 -66.372 69.585 1.00 44.46 C +ATOM 530 O THR A 56 5.251 -66.232 68.392 1.00 52.08 O +ATOM 531 CB THR A 56 7.673 -67.489 70.167 1.00 40.96 C +ATOM 532 OG1 THR A 56 8.319 -68.766 70.057 1.00 45.89 O +ATOM 533 CG2 THR A 56 8.059 -66.871 71.483 1.00 48.50 C +ATOM 534 H THR A 56 6.543 -69.322 68.910 1.00 15.00 H +ATOM 535 HG1 THR A 56 9.248 -68.648 70.294 1.00 15.00 H +ATOM 536 N GLY A 57 5.217 -65.450 70.488 1.00 40.02 N +ATOM 537 CA GLY A 57 4.628 -64.189 70.074 1.00 37.98 C +ATOM 538 C GLY A 57 3.124 -64.210 69.863 1.00 39.22 C +ATOM 539 O GLY A 57 2.384 -63.467 70.517 1.00 38.91 O +ATOM 540 H GLY A 57 5.359 -65.622 71.437 1.00 15.00 H +ATOM 541 N VAL A 58 2.672 -65.050 68.943 1.00 38.80 N +ATOM 542 CA VAL A 58 1.251 -65.172 68.620 1.00 47.47 C +ATOM 543 C VAL A 58 0.281 -64.920 69.788 1.00 43.84 C +ATOM 544 O VAL A 58 0.063 -65.793 70.627 1.00 41.60 O +ATOM 545 CB VAL A 58 0.954 -66.570 68.013 1.00 54.56 C +ATOM 546 CG1 VAL A 58 -0.535 -66.729 67.734 1.00 54.18 C +ATOM 547 CG2 VAL A 58 1.766 -66.772 66.737 1.00 54.56 C +ATOM 548 H VAL A 58 3.313 -65.627 68.476 1.00 15.00 H +ATOM 549 N PRO A 59 -0.295 -63.710 69.865 1.00 43.30 N +ATOM 550 CA PRO A 59 -1.230 -63.422 70.950 1.00 51.26 C +ATOM 551 C PRO A 59 -2.348 -64.458 70.937 1.00 55.80 C +ATOM 552 O PRO A 59 -2.801 -64.875 69.872 1.00 60.30 O +ATOM 553 CB PRO A 59 -1.740 -62.030 70.590 1.00 55.36 C +ATOM 554 CG PRO A 59 -0.544 -61.405 69.942 1.00 52.02 C +ATOM 555 CD PRO A 59 -0.080 -62.515 69.033 1.00 48.29 C +ATOM 556 N SER A 60 -2.792 -64.850 72.126 1.00 63.52 N +ATOM 557 CA SER A 60 -3.838 -65.857 72.307 1.00 68.74 C +ATOM 558 C SER A 60 -4.988 -65.846 71.301 1.00 71.84 C +ATOM 559 O SER A 60 -5.539 -66.902 70.982 1.00 75.32 O +ATOM 560 CB SER A 60 -4.414 -65.770 73.728 1.00 68.51 C +ATOM 561 OG SER A 60 -4.986 -64.493 73.980 1.00 67.08 O +ATOM 562 H SER A 60 -2.413 -64.445 72.930 1.00 15.00 H +ATOM 563 HG SER A 60 -5.467 -64.511 74.816 1.00 15.00 H +ATOM 564 N ARG A 61 -5.349 -64.660 70.811 1.00 71.13 N +ATOM 565 CA ARG A 61 -6.457 -64.507 69.860 1.00 67.93 C +ATOM 566 C ARG A 61 -6.401 -65.327 68.561 1.00 64.97 C +ATOM 567 O ARG A 61 -7.368 -65.337 67.791 1.00 64.63 O +ATOM 568 CB ARG A 61 -6.699 -63.024 69.564 1.00 65.96 C +ATOM 569 CG ARG A 61 -5.434 -62.229 69.368 1.00 62.66 C +ATOM 570 CD ARG A 61 -5.694 -60.748 69.372 1.00 51.51 C +ATOM 571 NE ARG A 61 -4.426 -60.038 69.327 1.00 54.81 N +ATOM 572 CZ ARG A 61 -3.776 -59.745 68.208 1.00 52.07 C +ATOM 573 NH1 ARG A 61 -4.284 -60.094 67.036 1.00 50.07 N +ATOM 574 NH2 ARG A 61 -2.607 -59.121 68.266 1.00 49.70 N +ATOM 575 H ARG A 61 -4.846 -63.884 71.120 1.00 15.00 H +ATOM 576 HE ARG A 61 -4.022 -59.758 70.176 1.00 15.00 H +ATOM 577 HH11 ARG A 61 -5.155 -60.580 66.982 1.00 15.00 H +ATOM 578 HH12 ARG A 61 -3.787 -59.873 66.197 1.00 15.00 H +ATOM 579 HH21 ARG A 61 -2.221 -58.877 69.156 1.00 15.00 H +ATOM 580 HH22 ARG A 61 -2.114 -58.899 67.425 1.00 15.00 H +ATOM 581 N PHE A 62 -5.273 -65.987 68.310 1.00 59.88 N +ATOM 582 CA PHE A 62 -5.113 -66.827 67.128 1.00 52.79 C +ATOM 583 C PHE A 62 -5.309 -68.253 67.599 1.00 46.90 C +ATOM 584 O PHE A 62 -4.755 -68.651 68.619 1.00 45.63 O +ATOM 585 CB PHE A 62 -3.718 -66.665 66.534 1.00 52.75 C +ATOM 586 CG PHE A 62 -3.519 -65.374 65.795 1.00 54.24 C +ATOM 587 CD1 PHE A 62 -3.166 -64.215 66.476 1.00 53.68 C +ATOM 588 CD2 PHE A 62 -3.677 -65.321 64.414 1.00 50.90 C +ATOM 589 CE1 PHE A 62 -2.971 -63.021 65.791 1.00 57.87 C +ATOM 590 CE2 PHE A 62 -3.485 -64.136 63.721 1.00 52.84 C +ATOM 591 CZ PHE A 62 -3.131 -62.982 64.408 1.00 57.34 C +ATOM 592 H PHE A 62 -4.527 -65.960 68.943 1.00 15.00 H +ATOM 593 N SER A 63 -6.077 -69.034 66.858 1.00 44.73 N +ATOM 594 CA SER A 63 -6.336 -70.398 67.276 1.00 42.06 C +ATOM 595 C SER A 63 -6.380 -71.371 66.114 1.00 37.72 C +ATOM 596 O SER A 63 -7.212 -71.253 65.219 1.00 42.55 O +ATOM 597 CB SER A 63 -7.662 -70.448 68.035 1.00 51.70 C +ATOM 598 OG SER A 63 -7.887 -69.241 68.753 1.00 59.76 O +ATOM 599 H SER A 63 -6.523 -68.688 66.062 1.00 15.00 H +ATOM 600 HG SER A 63 -7.119 -69.040 69.307 1.00 15.00 H +ATOM 601 N GLY A 64 -5.460 -72.321 66.114 1.00 34.72 N +ATOM 602 CA GLY A 64 -5.435 -73.312 65.057 1.00 26.18 C +ATOM 603 C GLY A 64 -6.176 -74.539 65.531 1.00 20.04 C +ATOM 604 O GLY A 64 -6.315 -74.759 66.732 1.00 23.92 O +ATOM 605 H GLY A 64 -4.804 -72.391 66.837 1.00 15.00 H +ATOM 606 N SER A 65 -6.641 -75.355 64.603 1.00 19.79 N +ATOM 607 CA SER A 65 -7.368 -76.543 64.983 1.00 15.88 C +ATOM 608 C SER A 65 -7.567 -77.431 63.785 1.00 17.50 C +ATOM 609 O SER A 65 -7.224 -77.053 62.657 1.00 33.94 O +ATOM 610 CB SER A 65 -8.722 -76.152 65.555 1.00 10.64 C +ATOM 611 OG SER A 65 -9.457 -77.310 65.891 1.00 34.60 O +ATOM 612 H SER A 65 -6.513 -75.162 63.649 1.00 15.00 H +ATOM 613 HG SER A 65 -10.302 -77.023 66.254 1.00 15.00 H +ATOM 614 N GLY A 66 -8.147 -78.600 64.034 1.00 14.60 N +ATOM 615 CA GLY A 66 -8.409 -79.551 62.972 1.00 14.27 C +ATOM 616 C GLY A 66 -7.536 -80.781 63.073 1.00 13.36 C +ATOM 617 O GLY A 66 -6.709 -80.878 63.994 1.00 11.71 O +ATOM 618 H GLY A 66 -8.398 -78.827 64.955 1.00 15.00 H +ATOM 619 N SER A 67 -7.735 -81.713 62.136 1.00 16.40 N +ATOM 620 CA SER A 67 -6.983 -82.970 62.053 1.00 14.28 C +ATOM 621 C SER A 67 -7.382 -83.834 60.847 1.00 19.22 C +ATOM 622 O SER A 67 -8.565 -83.912 60.464 1.00 16.21 O +ATOM 623 CB SER A 67 -7.152 -83.794 63.339 1.00 26.19 C +ATOM 624 OG SER A 67 -8.497 -83.790 63.808 1.00 35.94 O +ATOM 625 H SER A 67 -8.435 -81.574 61.467 1.00 15.00 H +ATOM 626 HG SER A 67 -8.518 -84.316 64.612 1.00 15.00 H +ATOM 627 N GLY A 68 -6.386 -84.453 60.226 1.00 12.10 N +ATOM 628 CA GLY A 68 -6.665 -85.331 59.112 1.00 10.57 C +ATOM 629 C GLY A 68 -6.592 -84.671 57.765 1.00 24.81 C +ATOM 630 O GLY A 68 -5.585 -84.809 57.076 1.00 32.53 O +ATOM 631 H GLY A 68 -5.467 -84.313 60.524 1.00 15.00 H +ATOM 632 N THR A 69 -7.666 -83.995 57.362 1.00 30.76 N +ATOM 633 CA THR A 69 -7.690 -83.326 56.060 1.00 29.23 C +ATOM 634 C THR A 69 -8.197 -81.891 56.105 1.00 23.04 C +ATOM 635 O THR A 69 -7.874 -81.084 55.232 1.00 28.39 O +ATOM 636 CB THR A 69 -8.480 -84.137 55.000 1.00 32.73 C +ATOM 637 OG1 THR A 69 -9.769 -84.481 55.518 1.00 26.95 O +ATOM 638 CG2 THR A 69 -7.715 -85.420 54.615 1.00 19.19 C +ATOM 639 H THR A 69 -8.456 -83.966 57.939 1.00 15.00 H +ATOM 640 HG1 THR A 69 -10.210 -84.967 54.812 1.00 15.00 H +ATOM 641 N GLY A 70 -8.962 -81.559 57.131 1.00 15.99 N +ATOM 642 CA GLY A 70 -9.459 -80.204 57.232 1.00 18.71 C +ATOM 643 C GLY A 70 -8.887 -79.530 58.453 1.00 19.65 C +ATOM 644 O GLY A 70 -8.876 -80.119 59.523 1.00 28.58 O +ATOM 645 H GLY A 70 -9.179 -82.188 57.847 1.00 15.00 H +ATOM 646 N PHE A 71 -8.368 -78.323 58.299 1.00 18.36 N +ATOM 647 CA PHE A 71 -7.819 -77.599 59.431 1.00 15.42 C +ATOM 648 C PHE A 71 -8.357 -76.222 59.332 1.00 16.70 C +ATOM 649 O PHE A 71 -8.716 -75.783 58.245 1.00 26.29 O +ATOM 650 CB PHE A 71 -6.314 -77.525 59.337 1.00 16.70 C +ATOM 651 CG PHE A 71 -5.676 -78.846 59.257 1.00 24.15 C +ATOM 652 CD1 PHE A 71 -5.730 -79.575 58.080 1.00 28.07 C +ATOM 653 CD2 PHE A 71 -5.093 -79.410 60.379 1.00 23.77 C +ATOM 654 CE1 PHE A 71 -5.221 -80.861 58.022 1.00 33.76 C +ATOM 655 CE2 PHE A 71 -4.580 -80.690 60.334 1.00 22.09 C +ATOM 656 CZ PHE A 71 -4.645 -81.423 59.151 1.00 27.15 C +ATOM 657 H PHE A 71 -8.359 -77.891 57.421 1.00 15.00 H +ATOM 658 N THR A 72 -8.404 -75.520 60.448 1.00 14.71 N +ATOM 659 CA THR A 72 -8.908 -74.168 60.408 1.00 20.42 C +ATOM 660 C THR A 72 -8.105 -73.293 61.333 1.00 25.34 C +ATOM 661 O THR A 72 -7.556 -73.772 62.331 1.00 32.65 O +ATOM 662 CB THR A 72 -10.388 -74.094 60.816 1.00 31.21 C +ATOM 663 OG1 THR A 72 -10.503 -74.184 62.241 1.00 37.98 O +ATOM 664 CG2 THR A 72 -11.191 -75.235 60.174 1.00 39.67 C +ATOM 665 H THR A 72 -8.060 -75.875 61.295 1.00 15.00 H +ATOM 666 HG1 THR A 72 -9.963 -74.914 62.543 1.00 15.00 H +ATOM 667 N LEU A 73 -7.958 -72.036 60.936 1.00 22.60 N +ATOM 668 CA LEU A 73 -7.256 -71.036 61.719 1.00 20.62 C +ATOM 669 C LEU A 73 -8.378 -70.114 62.129 1.00 26.17 C +ATOM 670 O LEU A 73 -9.333 -69.930 61.368 1.00 35.56 O +ATOM 671 CB LEU A 73 -6.250 -70.279 60.854 1.00 17.94 C +ATOM 672 CG LEU A 73 -5.844 -68.854 61.259 1.00 21.93 C +ATOM 673 CD1 LEU A 73 -5.438 -68.742 62.719 1.00 18.21 C +ATOM 674 CD2 LEU A 73 -4.712 -68.402 60.368 1.00 25.76 C +ATOM 675 H LEU A 73 -8.383 -71.748 60.102 1.00 15.00 H +ATOM 676 N THR A 74 -8.301 -69.565 63.331 1.00 23.89 N +ATOM 677 CA THR A 74 -9.347 -68.670 63.787 1.00 29.64 C +ATOM 678 C THR A 74 -8.811 -67.512 64.592 1.00 29.58 C +ATOM 679 O THR A 74 -8.067 -67.703 65.560 1.00 22.64 O +ATOM 680 CB THR A 74 -10.457 -69.415 64.576 1.00 38.92 C +ATOM 681 OG1 THR A 74 -11.127 -68.496 65.446 1.00 46.31 O +ATOM 682 CG2 THR A 74 -9.900 -70.593 65.379 1.00 42.72 C +ATOM 683 H THR A 74 -7.575 -69.783 63.947 1.00 15.00 H +ATOM 684 HG1 THR A 74 -11.692 -68.977 66.052 1.00 15.00 H +ATOM 685 N ILE A 75 -9.162 -66.307 64.150 1.00 28.54 N +ATOM 686 CA ILE A 75 -8.717 -65.095 64.816 1.00 36.03 C +ATOM 687 C ILE A 75 -9.896 -64.445 65.529 1.00 42.21 C +ATOM 688 O ILE A 75 -10.989 -64.307 64.964 1.00 42.59 O +ATOM 689 CB ILE A 75 -8.104 -64.055 63.824 1.00 32.77 C +ATOM 690 CG1 ILE A 75 -7.181 -64.735 62.804 1.00 30.42 C +ATOM 691 CG2 ILE A 75 -7.327 -62.989 64.597 1.00 22.24 C +ATOM 692 CD1 ILE A 75 -7.814 -64.934 61.426 1.00 20.12 C +ATOM 693 H ILE A 75 -9.783 -66.243 63.394 1.00 15.00 H +ATOM 694 N SER A 76 -9.665 -64.065 66.776 1.00 45.31 N +ATOM 695 CA SER A 76 -10.671 -63.417 67.597 1.00 56.10 C +ATOM 696 C SER A 76 -10.262 -61.957 67.712 1.00 63.40 C +ATOM 697 O SER A 76 -9.073 -61.639 67.608 1.00 66.50 O +ATOM 698 CB SER A 76 -10.682 -64.045 68.995 1.00 57.18 C +ATOM 699 OG SER A 76 -10.900 -65.443 68.933 1.00 66.58 O +ATOM 700 H SER A 76 -8.769 -64.208 67.147 1.00 15.00 H +ATOM 701 HG SER A 76 -10.170 -65.875 68.466 1.00 15.00 H +ATOM 702 N SER A 77 -11.237 -61.079 67.931 1.00 67.29 N +ATOM 703 CA SER A 77 -10.986 -59.648 68.084 1.00 72.08 C +ATOM 704 C SER A 77 -9.914 -59.097 67.143 1.00 73.35 C +ATOM 705 O SER A 77 -8.862 -58.610 67.581 1.00 75.63 O +ATOM 706 CB SER A 77 -10.657 -59.304 69.545 1.00 70.44 C +ATOM 707 OG SER A 77 -11.801 -59.438 70.375 1.00 72.77 O +ATOM 708 H SER A 77 -12.168 -61.368 67.988 1.00 15.00 H +ATOM 709 HG SER A 77 -11.563 -59.196 71.276 1.00 15.00 H +ATOM 710 N LEU A 78 -10.203 -59.171 65.848 1.00 67.06 N +ATOM 711 CA LEU A 78 -9.293 -58.689 64.832 1.00 65.26 C +ATOM 712 C LEU A 78 -8.586 -57.408 65.223 1.00 70.55 C +ATOM 713 O LEU A 78 -9.217 -56.368 65.413 1.00 68.99 O +ATOM 714 CB LEU A 78 -10.037 -58.471 63.524 1.00 63.40 C +ATOM 715 CG LEU A 78 -10.258 -59.727 62.696 1.00 66.07 C +ATOM 716 CD1 LEU A 78 -10.975 -59.373 61.405 1.00 63.28 C +ATOM 717 CD2 LEU A 78 -8.907 -60.366 62.402 1.00 71.63 C +ATOM 718 H LEU A 78 -11.050 -59.588 65.582 1.00 15.00 H +ATOM 719 N GLN A 79 -7.283 -57.521 65.429 1.00 79.10 N +ATOM 720 CA GLN A 79 -6.454 -56.380 65.773 1.00 87.80 C +ATOM 721 C GLN A 79 -5.720 -55.976 64.494 1.00 93.30 C +ATOM 722 O GLN A 79 -5.050 -56.802 63.879 1.00 98.01 O +ATOM 723 CB GLN A 79 -5.464 -56.764 66.868 1.00 86.32 C +ATOM 724 CG GLN A 79 -6.107 -56.960 68.219 1.00 91.21 C +ATOM 725 CD GLN A 79 -6.846 -55.722 68.678 1.00 96.15 C +ATOM 726 OE1 GLN A 79 -6.240 -54.678 68.923 1.00 91.50 O +ATOM 727 NE2 GLN A 79 -8.164 -55.823 68.776 1.00 99.82 N +ATOM 728 H GLN A 79 -6.868 -58.399 65.373 1.00 15.00 H +ATOM 729 HE21 GLN A 79 -8.665 -55.041 69.077 1.00 15.00 H +ATOM 730 HE22 GLN A 79 -8.552 -56.692 68.531 1.00 15.00 H +ATOM 731 N PRO A 80 -5.813 -54.693 64.098 1.00 93.55 N +ATOM 732 CA PRO A 80 -5.190 -54.122 62.900 1.00 88.84 C +ATOM 733 C PRO A 80 -4.007 -54.890 62.308 1.00 86.80 C +ATOM 734 O PRO A 80 -3.999 -55.193 61.113 1.00 91.12 O +ATOM 735 CB PRO A 80 -4.800 -52.732 63.375 1.00 92.12 C +ATOM 736 CG PRO A 80 -6.002 -52.351 64.173 1.00 90.96 C +ATOM 737 CD PRO A 80 -6.313 -53.614 64.973 1.00 95.32 C +ATOM 738 N GLU A 81 -3.046 -55.259 63.151 1.00 80.78 N +ATOM 739 CA GLU A 81 -1.859 -55.996 62.704 1.00 78.49 C +ATOM 740 C GLU A 81 -2.109 -57.462 62.348 1.00 72.29 C +ATOM 741 O GLU A 81 -1.247 -58.319 62.546 1.00 74.52 O +ATOM 742 CB GLU A 81 -0.713 -55.900 63.723 1.00 84.91 C +ATOM 743 CG GLU A 81 -1.025 -55.163 65.018 1.00 96.23 C +ATOM 744 CD GLU A 81 -2.150 -55.801 65.806 1.00102.10 C +ATOM 745 OE1 GLU A 81 -2.204 -57.048 65.886 1.00108.35 O +ATOM 746 OE2 GLU A 81 -2.996 -55.043 66.325 1.00104.66 O +ATOM 747 H GLU A 81 -3.216 -55.014 64.070 1.00 15.00 H +ATOM 748 N ASP A 82 -3.304 -57.749 61.857 1.00 64.99 N +ATOM 749 CA ASP A 82 -3.658 -59.092 61.444 1.00 63.04 C +ATOM 750 C ASP A 82 -3.785 -59.049 59.936 1.00 63.19 C +ATOM 751 O ASP A 82 -3.518 -60.036 59.249 1.00 67.82 O +ATOM 752 CB ASP A 82 -4.994 -59.518 62.059 1.00 64.94 C +ATOM 753 CG ASP A 82 -4.947 -59.603 63.577 1.00 68.09 C +ATOM 754 OD1 ASP A 82 -3.857 -59.426 64.167 1.00 68.43 O +ATOM 755 OD2 ASP A 82 -6.014 -59.834 64.183 1.00 67.76 O +ATOM 756 H ASP A 82 -3.987 -57.067 61.768 1.00 15.00 H +ATOM 757 N ILE A 83 -4.154 -57.881 59.417 1.00 57.46 N +ATOM 758 CA ILE A 83 -4.322 -57.709 57.982 1.00 49.92 C +ATOM 759 C ILE A 83 -3.075 -58.178 57.260 1.00 40.58 C +ATOM 760 O ILE A 83 -2.026 -57.533 57.308 1.00 41.28 O +ATOM 761 CB ILE A 83 -4.613 -56.261 57.623 1.00 55.14 C +ATOM 762 CG1 ILE A 83 -5.732 -55.747 58.517 1.00 61.70 C +ATOM 763 CG2 ILE A 83 -5.023 -56.158 56.155 1.00 61.86 C +ATOM 764 CD1 ILE A 83 -6.917 -56.695 58.602 1.00 69.01 C +ATOM 765 H ILE A 83 -4.249 -57.108 60.006 1.00 15.00 H +ATOM 766 N ALA A 84 -3.202 -59.334 56.628 1.00 24.36 N +ATOM 767 CA ALA A 84 -2.116 -59.949 55.904 1.00 28.88 C +ATOM 768 C ALA A 84 -2.730 -61.024 55.052 1.00 33.23 C +ATOM 769 O ALA A 84 -3.938 -61.038 54.820 1.00 39.77 O +ATOM 770 CB ALA A 84 -1.161 -60.579 56.877 1.00 32.22 C +ATOM 771 H ALA A 84 -4.054 -59.813 56.658 1.00 15.00 H +ATOM 772 N THR A 85 -1.893 -61.918 54.563 1.00 32.59 N +ATOM 773 CA THR A 85 -2.382 -63.019 53.771 1.00 35.85 C +ATOM 774 C THR A 85 -1.929 -64.227 54.564 1.00 42.89 C +ATOM 775 O THR A 85 -0.824 -64.234 55.119 1.00 48.12 O +ATOM 776 CB THR A 85 -1.758 -63.033 52.381 1.00 36.11 C +ATOM 777 OG1 THR A 85 -1.742 -61.700 51.853 1.00 41.59 O +ATOM 778 CG2 THR A 85 -2.564 -63.924 51.459 1.00 34.88 C +ATOM 779 H THR A 85 -0.927 -61.864 54.714 1.00 15.00 H +ATOM 780 HG1 THR A 85 -1.049 -61.216 52.311 1.00 15.00 H +ATOM 781 N TYR A 86 -2.820 -65.197 54.716 1.00 42.21 N +ATOM 782 CA TYR A 86 -2.506 -66.397 55.464 1.00 30.72 C +ATOM 783 C TYR A 86 -2.404 -67.560 54.518 1.00 32.67 C +ATOM 784 O TYR A 86 -3.084 -67.604 53.486 1.00 35.50 O +ATOM 785 CB TYR A 86 -3.575 -66.657 56.516 1.00 23.53 C +ATOM 786 CG TYR A 86 -3.703 -65.515 57.498 1.00 23.71 C +ATOM 787 CD1 TYR A 86 -2.896 -65.452 58.644 1.00 29.79 C +ATOM 788 CD2 TYR A 86 -4.608 -64.487 57.276 1.00 19.49 C +ATOM 789 CE1 TYR A 86 -2.995 -64.386 59.544 1.00 18.28 C +ATOM 790 CE2 TYR A 86 -4.716 -63.418 58.167 1.00 28.72 C +ATOM 791 CZ TYR A 86 -3.911 -63.378 59.295 1.00 28.53 C +ATOM 792 OH TYR A 86 -4.049 -62.336 60.171 1.00 34.82 O +ATOM 793 H TYR A 86 -3.706 -65.128 54.315 1.00 15.00 H +ATOM 794 HH TYR A 86 -3.258 -62.285 60.726 1.00 15.00 H +ATOM 795 N TYR A 87 -1.479 -68.455 54.829 1.00 27.40 N +ATOM 796 CA TYR A 87 -1.263 -69.638 54.024 1.00 16.57 C +ATOM 797 C TYR A 87 -1.089 -70.796 54.988 1.00 15.21 C +ATOM 798 O TYR A 87 -0.518 -70.621 56.070 1.00 12.54 O +ATOM 799 CB TYR A 87 0.032 -69.528 53.213 1.00 20.61 C +ATOM 800 CG TYR A 87 0.232 -68.264 52.408 1.00 11.03 C +ATOM 801 CD1 TYR A 87 0.563 -67.060 53.023 1.00 4.21 C +ATOM 802 CD2 TYR A 87 0.142 -68.291 51.025 1.00 14.12 C +ATOM 803 CE1 TYR A 87 0.801 -65.921 52.276 1.00 16.09 C +ATOM 804 CE2 TYR A 87 0.370 -67.164 50.262 1.00 12.55 C +ATOM 805 CZ TYR A 87 0.700 -65.983 50.887 1.00 25.05 C +ATOM 806 OH TYR A 87 0.929 -64.873 50.110 1.00 38.53 O +ATOM 807 H TYR A 87 -0.933 -68.313 55.635 1.00 15.00 H +ATOM 808 HH TYR A 87 0.897 -65.120 49.177 1.00 15.00 H +ATOM 809 N CYS A 88 -1.625 -71.955 54.624 1.00 8.24 N +ATOM 810 CA CYS A 88 -1.457 -73.133 55.437 1.00 6.20 C +ATOM 811 C CYS A 88 -0.497 -73.962 54.630 1.00 12.96 C +ATOM 812 O CYS A 88 -0.307 -73.694 53.441 1.00 16.07 O +ATOM 813 CB CYS A 88 -2.753 -73.898 55.597 1.00 16.12 C +ATOM 814 SG CYS A 88 -3.253 -74.904 54.165 1.00 16.33 S +ATOM 815 H CYS A 88 -2.124 -72.034 53.790 1.00 15.00 H +ATOM 816 N GLN A 89 0.156 -74.923 55.273 1.00 16.27 N +ATOM 817 CA GLN A 89 1.086 -75.795 54.559 1.00 19.37 C +ATOM 818 C GLN A 89 1.223 -77.122 55.274 1.00 17.61 C +ATOM 819 O GLN A 89 1.429 -77.175 56.484 1.00 25.02 O +ATOM 820 CB GLN A 89 2.459 -75.148 54.391 1.00 15.90 C +ATOM 821 CG GLN A 89 3.227 -75.023 55.672 1.00 19.57 C +ATOM 822 CD GLN A 89 4.577 -75.722 55.623 1.00 24.18 C +ATOM 823 OE1 GLN A 89 5.560 -75.201 56.145 1.00 18.95 O +ATOM 824 NE2 GLN A 89 4.631 -76.905 55.009 1.00 9.13 N +ATOM 825 H GLN A 89 0.008 -75.061 56.235 1.00 15.00 H +ATOM 826 HE21 GLN A 89 5.498 -77.352 55.008 1.00 15.00 H +ATOM 827 HE22 GLN A 89 3.838 -77.314 54.602 1.00 15.00 H +ATOM 828 N GLN A 90 1.016 -78.191 54.524 1.00 21.79 N +ATOM 829 CA GLN A 90 1.123 -79.528 55.060 1.00 16.15 C +ATOM 830 C GLN A 90 2.595 -79.832 55.220 1.00 11.09 C +ATOM 831 O GLN A 90 3.438 -79.288 54.514 1.00 22.62 O +ATOM 832 CB GLN A 90 0.467 -80.552 54.114 1.00 6.38 C +ATOM 833 CG GLN A 90 1.144 -80.716 52.749 1.00 7.17 C +ATOM 834 CD GLN A 90 2.268 -81.739 52.745 1.00 11.89 C +ATOM 835 OE1 GLN A 90 2.706 -82.191 53.798 1.00 21.59 O +ATOM 836 NE2 GLN A 90 2.734 -82.115 51.556 1.00 10.40 N +ATOM 837 H GLN A 90 0.828 -78.071 53.568 1.00 15.00 H +ATOM 838 HE21 GLN A 90 3.490 -82.739 51.507 1.00 15.00 H +ATOM 839 HE22 GLN A 90 2.322 -81.713 50.765 1.00 15.00 H +ATOM 840 N GLY A 91 2.902 -80.696 56.164 1.00 17.10 N +ATOM 841 CA GLY A 91 4.275 -81.081 56.376 1.00 17.32 C +ATOM 842 C GLY A 91 4.310 -82.571 56.597 1.00 10.83 C +ATOM 843 O GLY A 91 5.195 -83.056 57.271 1.00 13.68 O +ATOM 844 H GLY A 91 2.199 -81.053 56.745 1.00 15.00 H +ATOM 845 N GLN A 92 3.319 -83.292 56.078 1.00 8.78 N +ATOM 846 CA GLN A 92 3.271 -84.746 56.236 1.00 16.18 C +ATOM 847 C GLN A 92 4.269 -85.412 55.326 1.00 7.20 C +ATOM 848 O GLN A 92 4.976 -86.312 55.743 1.00 24.93 O +ATOM 849 CB GLN A 92 1.878 -85.313 55.937 1.00 19.88 C +ATOM 850 CG GLN A 92 1.382 -86.397 56.921 1.00 23.45 C +ATOM 851 CD GLN A 92 1.955 -87.805 56.709 1.00 22.47 C +ATOM 852 OE1 GLN A 92 1.474 -88.769 57.301 1.00 16.93 O +ATOM 853 NE2 GLN A 92 2.939 -87.935 55.842 1.00 24.73 N +ATOM 854 H GLN A 92 2.637 -82.818 55.567 1.00 15.00 H +ATOM 855 HE21 GLN A 92 3.301 -88.843 55.831 1.00 15.00 H +ATOM 856 HE22 GLN A 92 3.299 -87.256 55.284 1.00 15.00 H +ATOM 857 N SER A 93 4.307 -85.002 54.071 1.00 12.39 N +ATOM 858 CA SER A 93 5.232 -85.620 53.142 1.00 22.43 C +ATOM 859 C SER A 93 5.782 -84.644 52.118 1.00 22.79 C +ATOM 860 O SER A 93 5.369 -83.490 52.066 1.00 21.22 O +ATOM 861 CB SER A 93 4.560 -86.795 52.438 1.00 18.42 C +ATOM 862 OG SER A 93 5.516 -87.538 51.702 1.00 40.54 O +ATOM 863 H SER A 93 3.779 -84.235 53.758 1.00 15.00 H +ATOM 864 HG SER A 93 5.071 -88.222 51.189 1.00 15.00 H +ATOM 865 N TYR A 94 6.739 -85.122 51.329 1.00 28.60 N +ATOM 866 CA TYR A 94 7.374 -84.322 50.295 1.00 32.68 C +ATOM 867 C TYR A 94 6.676 -84.488 48.962 1.00 41.18 C +ATOM 868 O TYR A 94 6.202 -85.577 48.633 1.00 51.50 O +ATOM 869 CB TYR A 94 8.830 -84.718 50.147 1.00 23.33 C +ATOM 870 CG TYR A 94 9.717 -84.105 51.187 1.00 19.01 C +ATOM 871 CD1 TYR A 94 10.294 -82.864 50.980 1.00 26.64 C +ATOM 872 CD2 TYR A 94 9.986 -84.760 52.378 1.00 33.84 C +ATOM 873 CE1 TYR A 94 11.123 -82.275 51.939 1.00 31.35 C +ATOM 874 CE2 TYR A 94 10.821 -84.183 53.347 1.00 40.88 C +ATOM 875 CZ TYR A 94 11.383 -82.935 53.120 1.00 29.62 C +ATOM 876 OH TYR A 94 12.179 -82.340 54.075 1.00 28.38 O +ATOM 877 H TYR A 94 6.967 -86.073 51.406 1.00 15.00 H +ATOM 878 HH TYR A 94 12.249 -82.967 54.804 1.00 15.00 H +ATOM 879 N PRO A 95 6.584 -83.402 48.178 1.00 43.53 N +ATOM 880 CA PRO A 95 7.101 -82.069 48.509 1.00 38.96 C +ATOM 881 C PRO A 95 6.214 -81.269 49.452 1.00 35.17 C +ATOM 882 O PRO A 95 5.020 -81.541 49.607 1.00 36.57 O +ATOM 883 CB PRO A 95 7.171 -81.392 47.146 1.00 45.86 C +ATOM 884 CG PRO A 95 6.003 -81.984 46.425 1.00 43.30 C +ATOM 885 CD PRO A 95 6.124 -83.449 46.778 1.00 47.17 C +ATOM 886 N LEU A 96 6.813 -80.271 50.079 1.00 28.08 N +ATOM 887 CA LEU A 96 6.085 -79.410 50.984 1.00 29.94 C +ATOM 888 C LEU A 96 5.278 -78.471 50.119 1.00 30.92 C +ATOM 889 O LEU A 96 5.825 -77.771 49.263 1.00 35.73 O +ATOM 890 CB LEU A 96 7.060 -78.622 51.836 1.00 35.50 C +ATOM 891 CG LEU A 96 7.758 -79.490 52.868 1.00 33.89 C +ATOM 892 CD1 LEU A 96 8.962 -78.764 53.418 1.00 46.07 C +ATOM 893 CD2 LEU A 96 6.756 -79.813 53.970 1.00 47.38 C +ATOM 894 H LEU A 96 7.757 -80.085 49.916 1.00 15.00 H +ATOM 895 N THR A 97 3.977 -78.452 50.339 1.00 22.99 N +ATOM 896 CA THR A 97 3.111 -77.615 49.547 1.00 17.97 C +ATOM 897 C THR A 97 2.330 -76.672 50.416 1.00 15.31 C +ATOM 898 O THR A 97 2.052 -76.988 51.570 1.00 18.56 O +ATOM 899 CB THR A 97 2.137 -78.478 48.811 1.00 22.17 C +ATOM 900 OG1 THR A 97 1.461 -79.310 49.763 1.00 28.94 O +ATOM 901 CG2 THR A 97 2.870 -79.354 47.810 1.00 16.60 C +ATOM 902 H THR A 97 3.549 -79.006 51.024 1.00 15.00 H +ATOM 903 HG1 THR A 97 0.790 -79.835 49.313 1.00 15.00 H +ATOM 904 N PHE A 98 1.988 -75.508 49.871 1.00 16.39 N +ATOM 905 CA PHE A 98 1.210 -74.516 50.612 1.00 7.61 C +ATOM 906 C PHE A 98 -0.173 -74.487 50.032 1.00 5.44 C +ATOM 907 O PHE A 98 -0.406 -75.067 48.983 1.00 16.70 O +ATOM 908 CB PHE A 98 1.851 -73.150 50.527 1.00 2.88 C +ATOM 909 CG PHE A 98 3.258 -73.120 51.035 1.00 4.12 C +ATOM 910 CD1 PHE A 98 4.261 -73.831 50.376 1.00 8.84 C +ATOM 911 CD2 PHE A 98 3.591 -72.365 52.142 1.00 2.00 C +ATOM 912 CE1 PHE A 98 5.571 -73.782 50.809 1.00 2.00 C +ATOM 913 CE2 PHE A 98 4.904 -72.310 52.589 1.00 2.00 C +ATOM 914 CZ PHE A 98 5.897 -73.019 51.921 1.00 4.42 C +ATOM 915 H PHE A 98 2.227 -75.318 48.940 1.00 15.00 H +ATOM 916 N GLY A 99 -1.093 -73.784 50.662 1.00 11.57 N +ATOM 917 CA GLY A 99 -2.437 -73.813 50.137 1.00 22.02 C +ATOM 918 C GLY A 99 -2.928 -72.530 49.542 1.00 39.07 C +ATOM 919 O GLY A 99 -3.943 -72.010 50.002 1.00 45.73 O +ATOM 920 H GLY A 99 -0.865 -73.275 51.472 1.00 15.00 H +ATOM 921 N GLY A 100 -2.280 -72.057 48.480 1.00 42.73 N +ATOM 922 CA GLY A 100 -2.702 -70.802 47.881 1.00 42.64 C +ATOM 923 C GLY A 100 -2.560 -69.801 49.005 1.00 44.18 C +ATOM 924 O GLY A 100 -1.521 -69.807 49.660 1.00 55.31 O +ATOM 925 H GLY A 100 -1.507 -72.549 48.138 1.00 15.00 H +ATOM 926 N GLY A 101 -3.609 -69.036 49.300 1.00 29.04 N +ATOM 927 CA GLY A 101 -3.558 -68.076 50.392 1.00 17.23 C +ATOM 928 C GLY A 101 -4.950 -67.540 50.665 1.00 20.01 C +ATOM 929 O GLY A 101 -5.900 -67.936 49.997 1.00 24.45 O +ATOM 930 H GLY A 101 -4.463 -69.109 48.823 1.00 15.00 H +ATOM 931 N THR A 102 -5.112 -66.753 51.716 1.00 17.67 N +ATOM 932 CA THR A 102 -6.404 -66.138 51.987 1.00 25.79 C +ATOM 933 C THR A 102 -6.012 -64.754 52.436 1.00 40.70 C +ATOM 934 O THR A 102 -5.232 -64.614 53.392 1.00 39.54 O +ATOM 935 CB THR A 102 -7.228 -66.874 53.083 1.00 31.61 C +ATOM 936 OG1 THR A 102 -8.425 -67.406 52.496 1.00 23.51 O +ATOM 937 CG2 THR A 102 -7.638 -65.927 54.214 1.00 24.59 C +ATOM 938 H THR A 102 -4.382 -66.604 52.351 1.00 15.00 H +ATOM 939 HG1 THR A 102 -8.155 -68.036 51.808 1.00 15.00 H +ATOM 940 N LYS A 103 -6.439 -63.741 51.682 1.00 49.06 N +ATOM 941 CA LYS A 103 -6.097 -62.374 52.043 1.00 52.38 C +ATOM 942 C LYS A 103 -7.169 -61.730 52.897 1.00 51.85 C +ATOM 943 O LYS A 103 -8.368 -61.921 52.671 1.00 47.14 O +ATOM 944 CB LYS A 103 -5.770 -61.509 50.823 1.00 54.41 C +ATOM 945 CG LYS A 103 -4.902 -60.314 51.213 1.00 58.78 C +ATOM 946 CD LYS A 103 -4.306 -59.562 50.037 1.00 58.80 C +ATOM 947 CE LYS A 103 -3.125 -58.702 50.497 1.00 58.97 C +ATOM 948 NZ LYS A 103 -3.426 -57.868 51.706 1.00 55.39 N +ATOM 949 H LYS A 103 -7.003 -63.917 50.897 1.00 15.00 H +ATOM 950 HZ1 LYS A 103 -3.722 -58.477 52.497 1.00 15.00 H +ATOM 951 HZ2 LYS A 103 -2.572 -57.345 51.985 1.00 15.00 H +ATOM 952 HZ3 LYS A 103 -4.186 -57.195 51.482 1.00 15.00 H +ATOM 953 N LEU A 104 -6.709 -60.973 53.885 1.00 51.70 N +ATOM 954 CA LEU A 104 -7.571 -60.291 54.835 1.00 53.91 C +ATOM 955 C LEU A 104 -7.782 -58.817 54.466 1.00 57.30 C +ATOM 956 O LEU A 104 -6.824 -58.090 54.174 1.00 62.22 O +ATOM 957 CB LEU A 104 -6.950 -60.408 56.230 1.00 52.77 C +ATOM 958 CG LEU A 104 -7.855 -60.390 57.460 1.00 46.52 C +ATOM 959 CD1 LEU A 104 -8.817 -61.552 57.387 1.00 34.93 C +ATOM 960 CD2 LEU A 104 -7.013 -60.466 58.726 1.00 48.61 C +ATOM 961 H LEU A 104 -5.740 -60.842 53.972 1.00 15.00 H +ATOM 962 N GLU A 105 -9.034 -58.378 54.557 1.00 59.42 N +ATOM 963 CA GLU A 105 -9.449 -57.016 54.238 1.00 59.48 C +ATOM 964 C GLU A 105 -10.287 -56.482 55.398 1.00 57.33 C +ATOM 965 O GLU A 105 -11.137 -57.196 55.926 1.00 55.03 O +ATOM 966 CB GLU A 105 -10.296 -57.057 52.957 1.00 68.38 C +ATOM 967 CG GLU A 105 -11.167 -55.834 52.667 1.00 77.73 C +ATOM 968 CD GLU A 105 -12.215 -56.097 51.580 1.00 84.10 C +ATOM 969 OE1 GLU A 105 -12.045 -57.042 50.773 1.00 87.99 O +ATOM 970 OE2 GLU A 105 -13.223 -55.359 51.541 1.00 85.31 O +ATOM 971 H GLU A 105 -9.729 -58.975 54.892 1.00 15.00 H +ATOM 972 N ILE A 106 -10.031 -55.247 55.820 1.00 59.39 N +ATOM 973 CA ILE A 106 -10.801 -54.634 56.907 1.00 53.43 C +ATOM 974 C ILE A 106 -12.044 -53.994 56.299 1.00 54.67 C +ATOM 975 O ILE A 106 -12.002 -53.516 55.166 1.00 57.91 O +ATOM 976 CB ILE A 106 -10.035 -53.501 57.585 1.00 48.67 C +ATOM 977 CG1 ILE A 106 -8.628 -53.956 57.945 1.00 50.30 C +ATOM 978 CG2 ILE A 106 -10.785 -53.046 58.825 1.00 51.11 C +ATOM 979 CD1 ILE A 106 -7.750 -52.852 58.488 1.00 59.63 C +ATOM 980 H ILE A 106 -9.337 -54.736 55.353 1.00 15.00 H +ATOM 981 N LYS A 107 -13.142 -53.973 57.044 1.00 53.17 N +ATOM 982 CA LYS A 107 -14.375 -53.366 56.557 1.00 47.06 C +ATOM 983 C LYS A 107 -14.412 -51.960 57.136 1.00 51.10 C +ATOM 984 O LYS A 107 -14.008 -51.753 58.287 1.00 48.71 O +ATOM 985 CB LYS A 107 -15.580 -54.159 57.045 1.00 42.91 C +ATOM 986 CG LYS A 107 -16.725 -54.246 56.064 1.00 49.60 C +ATOM 987 CD LYS A 107 -16.370 -55.121 54.875 1.00 56.63 C +ATOM 988 CE LYS A 107 -17.599 -55.441 54.025 1.00 66.09 C +ATOM 989 NZ LYS A 107 -18.275 -54.230 53.457 1.00 75.66 N +ATOM 990 H LYS A 107 -13.119 -54.340 57.956 1.00 15.00 H +ATOM 991 HZ1 LYS A 107 -18.571 -53.604 54.235 1.00 15.00 H +ATOM 992 HZ2 LYS A 107 -17.631 -53.717 52.825 1.00 15.00 H +ATOM 993 HZ3 LYS A 107 -19.115 -54.533 52.923 1.00 15.00 H +ATOM 994 N ARG A 108 -14.886 -51.004 56.336 1.00 58.26 N +ATOM 995 CA ARG A 108 -14.979 -49.593 56.731 1.00 60.32 C +ATOM 996 C ARG A 108 -16.212 -48.941 56.090 1.00 60.75 C +ATOM 997 O ARG A 108 -16.796 -49.493 55.154 1.00 62.74 O +ATOM 998 CB ARG A 108 -13.726 -48.843 56.238 1.00 64.39 C +ATOM 999 CG ARG A 108 -13.737 -47.340 56.508 1.00 72.41 C +ATOM 1000 CD ARG A 108 -13.060 -46.521 55.401 1.00 72.76 C +ATOM 1001 NE ARG A 108 -13.662 -45.187 55.300 1.00 74.51 N +ATOM 1002 CZ ARG A 108 -13.047 -44.040 55.584 1.00 75.99 C +ATOM 1003 NH1 ARG A 108 -11.779 -44.026 55.970 1.00 75.86 N +ATOM 1004 NH2 ARG A 108 -13.701 -42.891 55.464 1.00 77.23 N +ATOM 1005 H ARG A 108 -15.225 -51.226 55.439 1.00 15.00 H +ATOM 1006 HE ARG A 108 -14.594 -45.132 55.007 1.00 15.00 H +ATOM 1007 HH11 ARG A 108 -11.269 -44.881 56.051 1.00 15.00 H +ATOM 1008 HH12 ARG A 108 -11.332 -43.156 56.180 1.00 15.00 H +ATOM 1009 HH21 ARG A 108 -14.655 -42.895 55.162 1.00 15.00 H +ATOM 1010 HH22 ARG A 108 -13.247 -42.028 55.677 1.00 15.00 H +ATOM 1011 N ALA A 109 -16.608 -47.773 56.596 1.00 60.86 N +ATOM 1012 CA ALA A 109 -17.746 -47.040 56.038 1.00 56.87 C +ATOM 1013 C ALA A 109 -17.383 -46.679 54.609 1.00 58.22 C +ATOM 1014 O ALA A 109 -16.216 -46.440 54.304 1.00 67.48 O +ATOM 1015 CB ALA A 109 -18.013 -45.772 56.838 1.00 51.32 C +ATOM 1016 H ALA A 109 -16.116 -47.383 57.341 1.00 15.00 H +ATOM 1017 N ASP A 110 -18.372 -46.647 53.732 1.00 55.72 N +ATOM 1018 CA ASP A 110 -18.118 -46.321 52.334 1.00 55.15 C +ATOM 1019 C ASP A 110 -17.520 -44.910 52.197 1.00 51.39 C +ATOM 1020 O ASP A 110 -17.714 -44.053 53.074 1.00 46.59 O +ATOM 1021 CB ASP A 110 -19.416 -46.445 51.539 1.00 63.52 C +ATOM 1022 CG ASP A 110 -20.197 -47.701 51.895 1.00 69.46 C +ATOM 1023 OD1 ASP A 110 -19.738 -48.816 51.549 1.00 68.46 O +ATOM 1024 OD2 ASP A 110 -21.263 -47.564 52.539 1.00 73.36 O +ATOM 1025 H ASP A 110 -19.278 -46.826 54.036 1.00 15.00 H +ATOM 1026 N ALA A 111 -16.753 -44.685 51.131 1.00 40.83 N +ATOM 1027 CA ALA A 111 -16.145 -43.375 50.903 1.00 33.53 C +ATOM 1028 C ALA A 111 -16.113 -43.040 49.434 1.00 37.05 C +ATOM 1029 O ALA A 111 -15.896 -43.911 48.586 1.00 42.03 O +ATOM 1030 CB ALA A 111 -14.758 -43.303 51.477 1.00 30.77 C +ATOM 1031 H ALA A 111 -16.600 -45.407 50.482 1.00 15.00 H +ATOM 1032 N ALA A 112 -16.312 -41.758 49.147 1.00 38.93 N +ATOM 1033 CA ALA A 112 -16.350 -41.262 47.783 1.00 31.53 C +ATOM 1034 C ALA A 112 -14.979 -40.988 47.182 1.00 23.55 C +ATOM 1035 O ALA A 112 -14.190 -40.196 47.711 1.00 24.90 O +ATOM 1036 CB ALA A 112 -17.217 -40.019 47.710 1.00 41.35 C +ATOM 1037 H ALA A 112 -16.408 -41.123 49.882 1.00 15.00 H +ATOM 1038 N PRO A 113 -14.687 -41.643 46.056 1.00 10.78 N +ATOM 1039 CA PRO A 113 -13.427 -41.507 45.331 1.00 12.72 C +ATOM 1040 C PRO A 113 -13.207 -40.119 44.800 1.00 16.04 C +ATOM 1041 O PRO A 113 -14.087 -39.550 44.166 1.00 34.51 O +ATOM 1042 CB PRO A 113 -13.587 -42.483 44.161 1.00 6.60 C +ATOM 1043 CG PRO A 113 -15.043 -42.557 43.968 1.00 8.60 C +ATOM 1044 CD PRO A 113 -15.559 -42.619 45.389 1.00 8.66 C +ATOM 1045 N THR A 114 -12.028 -39.573 45.062 1.00 19.05 N +ATOM 1046 CA THR A 114 -11.651 -38.256 44.560 1.00 17.46 C +ATOM 1047 C THR A 114 -11.001 -38.511 43.203 1.00 18.62 C +ATOM 1048 O THR A 114 -9.924 -39.099 43.133 1.00 25.16 O +ATOM 1049 CB THR A 114 -10.627 -37.616 45.500 1.00 21.45 C +ATOM 1050 OG1 THR A 114 -11.325 -36.934 46.547 1.00 17.07 O +ATOM 1051 CG2 THR A 114 -9.674 -36.666 44.753 1.00 22.60 C +ATOM 1052 H THR A 114 -11.398 -40.101 45.596 1.00 15.00 H +ATOM 1053 HG1 THR A 114 -11.907 -37.566 46.987 1.00 15.00 H +ATOM 1054 N VAL A 115 -11.659 -38.121 42.120 1.00 19.10 N +ATOM 1055 CA VAL A 115 -11.079 -38.376 40.806 1.00 14.33 C +ATOM 1056 C VAL A 115 -10.355 -37.174 40.234 1.00 11.60 C +ATOM 1057 O VAL A 115 -10.643 -36.025 40.589 1.00 19.99 O +ATOM 1058 CB VAL A 115 -12.125 -38.824 39.827 1.00 6.84 C +ATOM 1059 CG1 VAL A 115 -13.084 -37.709 39.584 1.00 18.26 C +ATOM 1060 CG2 VAL A 115 -11.471 -39.256 38.541 1.00 23.31 C +ATOM 1061 H VAL A 115 -12.505 -37.640 42.203 1.00 15.00 H +ATOM 1062 N SER A 116 -9.415 -37.429 39.342 1.00 2.00 N +ATOM 1063 CA SER A 116 -8.678 -36.340 38.752 1.00 15.95 C +ATOM 1064 C SER A 116 -8.124 -36.779 37.431 1.00 23.27 C +ATOM 1065 O SER A 116 -7.492 -37.841 37.333 1.00 20.98 O +ATOM 1066 CB SER A 116 -7.544 -35.917 39.671 1.00 20.92 C +ATOM 1067 OG SER A 116 -8.039 -35.737 40.985 1.00 43.89 O +ATOM 1068 H SER A 116 -9.163 -38.349 39.125 1.00 15.00 H +ATOM 1069 HG SER A 116 -8.845 -35.206 40.968 1.00 15.00 H +ATOM 1070 N ILE A 117 -8.383 -35.968 36.409 1.00 23.45 N +ATOM 1071 CA ILE A 117 -7.918 -36.283 35.071 1.00 19.62 C +ATOM 1072 C ILE A 117 -6.674 -35.465 34.760 1.00 21.36 C +ATOM 1073 O ILE A 117 -6.503 -34.345 35.257 1.00 26.04 O +ATOM 1074 CB ILE A 117 -9.028 -36.038 34.038 1.00 14.80 C +ATOM 1075 CG1 ILE A 117 -8.642 -36.649 32.694 1.00 2.00 C +ATOM 1076 CG2 ILE A 117 -9.347 -34.544 33.942 1.00 16.58 C +ATOM 1077 CD1 ILE A 117 -9.736 -37.465 32.097 1.00 2.00 C +ATOM 1078 H ILE A 117 -8.849 -35.125 36.555 1.00 15.00 H +ATOM 1079 N PHE A 118 -5.794 -36.055 33.967 1.00 15.65 N +ATOM 1080 CA PHE A 118 -4.555 -35.423 33.599 1.00 16.41 C +ATOM 1081 C PHE A 118 -4.254 -35.586 32.115 1.00 21.15 C +ATOM 1082 O PHE A 118 -4.154 -36.703 31.593 1.00 26.89 O +ATOM 1083 CB PHE A 118 -3.401 -36.012 34.426 1.00 25.11 C +ATOM 1084 CG PHE A 118 -3.399 -35.584 35.865 1.00 14.62 C +ATOM 1085 CD1 PHE A 118 -4.221 -36.207 36.791 1.00 17.68 C +ATOM 1086 CD2 PHE A 118 -2.618 -34.530 36.277 1.00 8.44 C +ATOM 1087 CE1 PHE A 118 -4.269 -35.776 38.104 1.00 19.87 C +ATOM 1088 CE2 PHE A 118 -2.658 -34.091 37.587 1.00 27.22 C +ATOM 1089 CZ PHE A 118 -3.486 -34.712 38.503 1.00 24.20 C +ATOM 1090 H PHE A 118 -5.978 -36.951 33.620 1.00 15.00 H +ATOM 1091 N PRO A 119 -4.217 -34.464 31.395 1.00 21.25 N +ATOM 1092 CA PRO A 119 -3.928 -34.405 29.959 1.00 15.32 C +ATOM 1093 C PRO A 119 -2.472 -34.788 29.806 1.00 9.63 C +ATOM 1094 O PRO A 119 -1.686 -34.586 30.719 1.00 19.45 O +ATOM 1095 CB PRO A 119 -4.096 -32.921 29.648 1.00 21.13 C +ATOM 1096 CG PRO A 119 -5.136 -32.475 30.654 1.00 27.56 C +ATOM 1097 CD PRO A 119 -4.684 -33.163 31.903 1.00 22.04 C +ATOM 1098 N PRO A 120 -2.081 -35.307 28.646 1.00 12.58 N +ATOM 1099 CA PRO A 120 -0.685 -35.701 28.433 1.00 16.67 C +ATOM 1100 C PRO A 120 0.232 -34.532 28.702 1.00 25.40 C +ATOM 1101 O PRO A 120 -0.197 -33.383 28.689 1.00 29.98 O +ATOM 1102 CB PRO A 120 -0.655 -36.076 26.961 1.00 4.55 C +ATOM 1103 CG PRO A 120 -2.016 -36.579 26.716 1.00 15.25 C +ATOM 1104 CD PRO A 120 -2.886 -35.572 27.450 1.00 18.09 C +ATOM 1105 N SER A 121 1.493 -34.823 28.964 1.00 38.49 N +ATOM 1106 CA SER A 121 2.459 -33.775 29.240 1.00 43.60 C +ATOM 1107 C SER A 121 3.053 -33.308 27.930 1.00 42.47 C +ATOM 1108 O SER A 121 3.294 -34.116 27.041 1.00 40.52 O +ATOM 1109 CB SER A 121 3.559 -34.342 30.119 1.00 47.36 C +ATOM 1110 OG SER A 121 3.964 -35.604 29.614 1.00 49.73 O +ATOM 1111 H SER A 121 1.811 -35.745 28.989 1.00 15.00 H +ATOM 1112 HG SER A 121 4.436 -36.007 30.343 1.00 15.00 H +ATOM 1113 N SER A 122 3.307 -32.013 27.813 1.00 45.66 N +ATOM 1114 CA SER A 122 3.901 -31.463 26.604 1.00 50.76 C +ATOM 1115 C SER A 122 5.185 -32.230 26.306 1.00 49.39 C +ATOM 1116 O SER A 122 5.522 -32.509 25.154 1.00 52.37 O +ATOM 1117 CB SER A 122 4.208 -29.982 26.822 1.00 64.21 C +ATOM 1118 OG SER A 122 4.734 -29.764 28.124 1.00 79.06 O +ATOM 1119 H SER A 122 3.105 -31.394 28.548 1.00 15.00 H +ATOM 1120 HG SER A 122 4.955 -28.828 28.225 1.00 15.00 H +ATOM 1121 N GLU A 123 5.865 -32.622 27.373 1.00 47.07 N +ATOM 1122 CA GLU A 123 7.106 -33.360 27.258 1.00 46.00 C +ATOM 1123 C GLU A 123 6.854 -34.688 26.552 1.00 41.59 C +ATOM 1124 O GLU A 123 7.672 -35.121 25.743 1.00 46.94 O +ATOM 1125 CB GLU A 123 7.718 -33.592 28.647 1.00 52.02 C +ATOM 1126 CG GLU A 123 7.714 -32.349 29.556 1.00 62.48 C +ATOM 1127 CD GLU A 123 8.888 -32.298 30.538 1.00 71.96 C +ATOM 1128 OE1 GLU A 123 9.849 -33.086 30.368 1.00 72.92 O +ATOM 1129 OE2 GLU A 123 8.860 -31.453 31.469 1.00 71.74 O +ATOM 1130 H GLU A 123 5.512 -32.379 28.250 1.00 15.00 H +ATOM 1131 N GLN A 124 5.707 -35.311 26.826 1.00 27.44 N +ATOM 1132 CA GLN A 124 5.390 -36.597 26.211 1.00 22.22 C +ATOM 1133 C GLN A 124 4.975 -36.417 24.771 1.00 25.00 C +ATOM 1134 O GLN A 124 5.381 -37.190 23.904 1.00 30.69 O +ATOM 1135 CB GLN A 124 4.284 -37.344 26.969 1.00 22.75 C +ATOM 1136 CG GLN A 124 4.011 -38.761 26.423 1.00 17.72 C +ATOM 1137 CD GLN A 124 2.824 -39.492 27.090 1.00 32.46 C +ATOM 1138 OE1 GLN A 124 2.625 -40.700 26.872 1.00 17.45 O +ATOM 1139 NE2 GLN A 124 2.016 -38.761 27.870 1.00 30.07 N +ATOM 1140 H GLN A 124 5.055 -34.913 27.430 1.00 15.00 H +ATOM 1141 HE21 GLN A 124 1.308 -39.235 28.349 1.00 15.00 H +ATOM 1142 HE22 GLN A 124 2.176 -37.801 27.956 1.00 15.00 H +ATOM 1143 N LEU A 125 4.160 -35.399 24.512 1.00 23.75 N +ATOM 1144 CA LEU A 125 3.691 -35.122 23.157 1.00 18.45 C +ATOM 1145 C LEU A 125 4.903 -34.999 22.235 1.00 28.27 C +ATOM 1146 O LEU A 125 4.995 -35.697 21.232 1.00 31.76 O +ATOM 1147 CB LEU A 125 2.853 -33.846 23.129 1.00 18.25 C +ATOM 1148 CG LEU A 125 1.573 -33.799 23.985 1.00 27.53 C +ATOM 1149 CD1 LEU A 125 1.087 -32.345 24.112 1.00 19.87 C +ATOM 1150 CD2 LEU A 125 0.477 -34.715 23.405 1.00 7.71 C +ATOM 1151 H LEU A 125 3.874 -34.829 25.254 1.00 15.00 H +ATOM 1152 N THR A 126 5.873 -34.184 22.631 1.00 31.11 N +ATOM 1153 CA THR A 126 7.082 -34.016 21.844 1.00 40.79 C +ATOM 1154 C THR A 126 7.639 -35.390 21.469 1.00 42.33 C +ATOM 1155 O THR A 126 8.091 -35.601 20.350 1.00 41.79 O +ATOM 1156 CB THR A 126 8.149 -33.256 22.649 1.00 51.02 C +ATOM 1157 OG1 THR A 126 7.561 -32.093 23.246 1.00 65.57 O +ATOM 1158 CG2 THR A 126 9.297 -32.828 21.745 1.00 54.54 C +ATOM 1159 H THR A 126 5.770 -33.688 23.467 1.00 15.00 H +ATOM 1160 HG1 THR A 126 6.969 -32.346 23.958 1.00 15.00 H +ATOM 1161 N SER A 127 7.546 -36.331 22.400 1.00 50.07 N +ATOM 1162 CA SER A 127 8.048 -37.686 22.199 1.00 58.82 C +ATOM 1163 C SER A 127 7.286 -38.470 21.131 1.00 54.59 C +ATOM 1164 O SER A 127 7.868 -39.313 20.451 1.00 54.23 O +ATOM 1165 CB SER A 127 8.033 -38.453 23.528 1.00 69.87 C +ATOM 1166 OG SER A 127 8.619 -37.689 24.580 1.00 74.45 O +ATOM 1167 H SER A 127 7.134 -36.145 23.270 1.00 15.00 H +ATOM 1168 HG SER A 127 9.519 -37.456 24.343 1.00 15.00 H +ATOM 1169 N GLY A 128 5.983 -38.233 21.020 1.00 52.82 N +ATOM 1170 CA GLY A 128 5.195 -38.933 20.017 1.00 54.25 C +ATOM 1171 C GLY A 128 4.082 -39.842 20.513 1.00 51.96 C +ATOM 1172 O GLY A 128 3.540 -40.653 19.746 1.00 57.95 O +ATOM 1173 H GLY A 128 5.564 -37.571 21.609 1.00 15.00 H +ATOM 1174 N GLY A 129 3.701 -39.682 21.774 1.00 43.84 N +ATOM 1175 CA GLY A 129 2.653 -40.511 22.335 1.00 35.18 C +ATOM 1176 C GLY A 129 1.812 -39.668 23.252 1.00 34.77 C +ATOM 1177 O GLY A 129 2.209 -38.553 23.587 1.00 37.55 O +ATOM 1178 H GLY A 129 4.096 -38.987 22.347 1.00 15.00 H +ATOM 1179 N ALA A 130 0.662 -40.185 23.666 1.00 33.77 N +ATOM 1180 CA ALA A 130 -0.213 -39.425 24.539 1.00 26.95 C +ATOM 1181 C ALA A 130 -0.850 -40.327 25.565 1.00 28.03 C +ATOM 1182 O ALA A 130 -1.455 -41.331 25.224 1.00 29.02 O +ATOM 1183 CB ALA A 130 -1.272 -38.736 23.732 1.00 37.73 C +ATOM 1184 H ALA A 130 0.389 -41.094 23.401 1.00 15.00 H +ATOM 1185 N SER A 131 -0.723 -39.952 26.828 1.00 22.96 N +ATOM 1186 CA SER A 131 -1.284 -40.741 27.887 1.00 7.54 C +ATOM 1187 C SER A 131 -2.120 -39.825 28.760 1.00 11.64 C +ATOM 1188 O SER A 131 -1.639 -38.797 29.237 1.00 14.99 O +ATOM 1189 CB SER A 131 -0.147 -41.389 28.658 1.00 11.87 C +ATOM 1190 OG SER A 131 0.628 -42.217 27.802 1.00 13.91 O +ATOM 1191 H SER A 131 -0.260 -39.125 27.055 1.00 15.00 H +ATOM 1192 HG SER A 131 1.131 -41.699 27.165 1.00 15.00 H +ATOM 1193 N VAL A 132 -3.406 -40.123 28.833 1.00 11.52 N +ATOM 1194 CA VAL A 132 -4.327 -39.352 29.636 1.00 14.17 C +ATOM 1195 C VAL A 132 -4.470 -40.227 30.868 1.00 24.19 C +ATOM 1196 O VAL A 132 -4.794 -41.420 30.764 1.00 29.81 O +ATOM 1197 CB VAL A 132 -5.700 -39.211 28.925 1.00 18.94 C +ATOM 1198 CG1 VAL A 132 -6.543 -38.099 29.558 1.00 2.68 C +ATOM 1199 CG2 VAL A 132 -5.500 -38.963 27.459 1.00 17.89 C +ATOM 1200 H VAL A 132 -3.753 -40.907 28.364 1.00 15.00 H +ATOM 1201 N VAL A 133 -4.195 -39.656 32.030 1.00 29.21 N +ATOM 1202 CA VAL A 133 -4.278 -40.415 33.263 1.00 19.20 C +ATOM 1203 C VAL A 133 -5.379 -39.904 34.145 1.00 19.02 C +ATOM 1204 O VAL A 133 -5.637 -38.703 34.232 1.00 18.47 O +ATOM 1205 CB VAL A 133 -2.958 -40.387 34.025 1.00 17.83 C +ATOM 1206 CG1 VAL A 133 -3.121 -41.049 35.363 1.00 27.65 C +ATOM 1207 CG2 VAL A 133 -1.889 -41.112 33.227 1.00 26.53 C +ATOM 1208 H VAL A 133 -3.955 -38.705 32.056 1.00 15.00 H +ATOM 1209 N CYS A 134 -6.024 -40.834 34.817 1.00 17.97 N +ATOM 1210 CA CYS A 134 -7.100 -40.484 35.692 1.00 21.36 C +ATOM 1211 C CYS A 134 -6.874 -41.173 37.038 1.00 25.95 C +ATOM 1212 O CYS A 134 -6.654 -42.387 37.087 1.00 27.44 O +ATOM 1213 CB CYS A 134 -8.397 -40.915 35.051 1.00 18.78 C +ATOM 1214 SG CYS A 134 -9.810 -40.082 35.808 1.00 38.15 S +ATOM 1215 H CYS A 134 -5.774 -41.777 34.734 1.00 15.00 H +ATOM 1216 N PHE A 135 -6.917 -40.392 38.116 1.00 20.40 N +ATOM 1217 CA PHE A 135 -6.685 -40.892 39.461 1.00 7.91 C +ATOM 1218 C PHE A 135 -7.929 -40.978 40.329 1.00 11.49 C +ATOM 1219 O PHE A 135 -8.451 -39.955 40.773 1.00 23.82 O +ATOM 1220 CB PHE A 135 -5.670 -39.987 40.166 1.00 7.57 C +ATOM 1221 CG PHE A 135 -4.249 -40.145 39.670 1.00 3.01 C +ATOM 1222 CD1 PHE A 135 -3.757 -41.388 39.304 1.00 2.00 C +ATOM 1223 CD2 PHE A 135 -3.410 -39.037 39.570 1.00 2.00 C +ATOM 1224 CE1 PHE A 135 -2.448 -41.532 38.838 1.00 16.48 C +ATOM 1225 CE2 PHE A 135 -2.110 -39.165 39.109 1.00 2.00 C +ATOM 1226 CZ PHE A 135 -1.624 -40.418 38.738 1.00 10.26 C +ATOM 1227 H PHE A 135 -7.114 -39.451 38.008 1.00 15.00 H +ATOM 1228 N LEU A 136 -8.393 -42.188 40.601 1.00 12.12 N +ATOM 1229 CA LEU A 136 -9.567 -42.366 41.466 1.00 21.34 C +ATOM 1230 C LEU A 136 -9.046 -42.672 42.866 1.00 21.95 C +ATOM 1231 O LEU A 136 -9.000 -43.829 43.271 1.00 20.83 O +ATOM 1232 CB LEU A 136 -10.412 -43.562 41.024 1.00 23.64 C +ATOM 1233 CG LEU A 136 -10.996 -43.688 39.624 1.00 24.60 C +ATOM 1234 CD1 LEU A 136 -11.997 -42.583 39.441 1.00 26.21 C +ATOM 1235 CD2 LEU A 136 -9.899 -43.659 38.556 1.00 22.98 C +ATOM 1236 H LEU A 136 -7.920 -42.972 40.257 1.00 15.00 H +ATOM 1237 N ASN A 137 -8.664 -41.647 43.610 1.00 22.65 N +ATOM 1238 CA ASN A 137 -8.114 -41.859 44.947 1.00 21.29 C +ATOM 1239 C ASN A 137 -9.105 -42.156 46.083 1.00 30.51 C +ATOM 1240 O ASN A 137 -10.325 -42.113 45.903 1.00 37.54 O +ATOM 1241 CB ASN A 137 -7.208 -40.685 45.339 1.00 10.85 C +ATOM 1242 CG ASN A 137 -5.941 -40.617 44.508 1.00 20.51 C +ATOM 1243 OD1 ASN A 137 -5.342 -41.644 44.160 1.00 21.05 O +ATOM 1244 ND2 ASN A 137 -5.510 -39.400 44.199 1.00 23.89 N +ATOM 1245 H ASN A 137 -8.780 -40.745 43.236 1.00 15.00 H +ATOM 1246 HD21 ASN A 137 -4.698 -39.290 43.668 1.00 15.00 H +ATOM 1247 HD22 ASN A 137 -6.031 -38.629 44.510 1.00 15.00 H +ATOM 1248 N ASN A 138 -8.525 -42.505 47.235 1.00 26.87 N +ATOM 1249 CA ASN A 138 -9.201 -42.806 48.490 1.00 20.84 C +ATOM 1250 C ASN A 138 -10.674 -43.157 48.437 1.00 29.59 C +ATOM 1251 O ASN A 138 -11.522 -42.277 48.585 1.00 35.16 O +ATOM 1252 CB ASN A 138 -9.040 -41.622 49.433 1.00 29.29 C +ATOM 1253 CG ASN A 138 -7.655 -41.042 49.391 1.00 38.89 C +ATOM 1254 OD1 ASN A 138 -6.671 -41.775 49.311 1.00 43.02 O +ATOM 1255 ND2 ASN A 138 -7.562 -39.718 49.405 1.00 50.32 N +ATOM 1256 H ASN A 138 -7.551 -42.585 47.236 1.00 15.00 H +ATOM 1257 HD21 ASN A 138 -6.676 -39.303 49.399 1.00 15.00 H +ATOM 1258 HD22 ASN A 138 -8.394 -39.197 49.437 1.00 15.00 H +ATOM 1259 N PHE A 139 -10.981 -44.442 48.317 1.00 25.42 N +ATOM 1260 CA PHE A 139 -12.368 -44.868 48.283 1.00 23.56 C +ATOM 1261 C PHE A 139 -12.546 -46.278 48.799 1.00 33.08 C +ATOM 1262 O PHE A 139 -11.583 -47.035 48.913 1.00 43.33 O +ATOM 1263 CB PHE A 139 -12.886 -44.816 46.866 1.00 15.53 C +ATOM 1264 CG PHE A 139 -12.235 -45.795 45.956 1.00 2.00 C +ATOM 1265 CD1 PHE A 139 -11.026 -45.504 45.366 1.00 2.00 C +ATOM 1266 CD2 PHE A 139 -12.848 -46.994 45.663 1.00 3.40 C +ATOM 1267 CE1 PHE A 139 -10.430 -46.402 44.478 1.00 3.17 C +ATOM 1268 CE2 PHE A 139 -12.265 -47.900 44.779 1.00 6.55 C +ATOM 1269 CZ PHE A 139 -11.051 -47.601 44.183 1.00 2.00 C +ATOM 1270 H PHE A 139 -10.275 -45.114 48.206 1.00 15.00 H +ATOM 1271 N TYR A 140 -13.798 -46.629 49.069 1.00 37.14 N +ATOM 1272 CA TYR A 140 -14.176 -47.954 49.555 1.00 43.87 C +ATOM 1273 C TYR A 140 -15.667 -48.116 49.280 1.00 41.42 C +ATOM 1274 O TYR A 140 -16.432 -47.152 49.445 1.00 41.96 O +ATOM 1275 CB TYR A 140 -13.936 -48.083 51.070 1.00 54.44 C +ATOM 1276 CG TYR A 140 -14.412 -49.414 51.609 1.00 60.35 C +ATOM 1277 CD1 TYR A 140 -13.610 -50.545 51.508 1.00 61.41 C +ATOM 1278 CD2 TYR A 140 -15.712 -49.574 52.093 1.00 64.20 C +ATOM 1279 CE1 TYR A 140 -14.085 -51.804 51.853 1.00 65.86 C +ATOM 1280 CE2 TYR A 140 -16.201 -50.835 52.442 1.00 70.17 C +ATOM 1281 CZ TYR A 140 -15.379 -51.947 52.312 1.00 68.81 C +ATOM 1282 OH TYR A 140 -15.849 -53.211 52.593 1.00 70.14 O +ATOM 1283 H TYR A 140 -14.516 -45.965 48.958 1.00 15.00 H +ATOM 1284 HH TYR A 140 -15.154 -53.852 52.426 1.00 15.00 H +ATOM 1285 N PRO A 141 -16.112 -49.322 48.873 1.00 32.85 N +ATOM 1286 CA PRO A 141 -15.380 -50.568 48.638 1.00 37.48 C +ATOM 1287 C PRO A 141 -14.490 -50.527 47.417 1.00 39.63 C +ATOM 1288 O PRO A 141 -14.490 -49.550 46.677 1.00 43.67 O +ATOM 1289 CB PRO A 141 -16.501 -51.588 48.447 1.00 49.05 C +ATOM 1290 CG PRO A 141 -17.629 -51.023 49.253 1.00 45.16 C +ATOM 1291 CD PRO A 141 -17.561 -49.580 48.861 1.00 38.38 C +ATOM 1292 N LYS A 142 -13.768 -51.622 47.204 1.00 42.60 N +ATOM 1293 CA LYS A 142 -12.845 -51.773 46.083 1.00 46.40 C +ATOM 1294 C LYS A 142 -13.599 -51.811 44.762 1.00 44.81 C +ATOM 1295 O LYS A 142 -13.077 -51.403 43.728 1.00 51.97 O +ATOM 1296 CB LYS A 142 -12.030 -53.070 46.246 1.00 50.21 C +ATOM 1297 CG LYS A 142 -10.787 -53.180 45.347 1.00 58.59 C +ATOM 1298 CD LYS A 142 -10.154 -54.578 45.387 1.00 65.63 C +ATOM 1299 CE LYS A 142 -11.045 -55.622 44.711 1.00 67.96 C +ATOM 1300 NZ LYS A 142 -10.467 -56.993 44.766 1.00 72.72 N +ATOM 1301 H LYS A 142 -13.841 -52.371 47.829 1.00 15.00 H +ATOM 1302 HZ1 LYS A 142 -9.533 -56.995 44.311 1.00 15.00 H +ATOM 1303 HZ2 LYS A 142 -10.379 -57.290 45.758 1.00 15.00 H +ATOM 1304 HZ3 LYS A 142 -11.104 -57.642 44.263 1.00 15.00 H +ATOM 1305 N ASP A 143 -14.821 -52.327 44.801 1.00 46.90 N +ATOM 1306 CA ASP A 143 -15.637 -52.437 43.603 1.00 49.95 C +ATOM 1307 C ASP A 143 -15.923 -51.061 43.035 1.00 45.36 C +ATOM 1308 O ASP A 143 -16.538 -50.223 43.700 1.00 44.76 O +ATOM 1309 CB ASP A 143 -16.954 -53.156 43.908 1.00 62.33 C +ATOM 1310 CG ASP A 143 -16.744 -54.527 44.522 1.00 71.36 C +ATOM 1311 OD1 ASP A 143 -16.207 -55.423 43.831 1.00 77.50 O +ATOM 1312 OD2 ASP A 143 -17.116 -54.703 45.703 1.00 75.14 O +ATOM 1313 H ASP A 143 -15.186 -52.627 45.650 1.00 15.00 H +ATOM 1314 N ILE A 144 -15.427 -50.833 41.823 1.00 37.76 N +ATOM 1315 CA ILE A 144 -15.610 -49.581 41.108 1.00 28.82 C +ATOM 1316 C ILE A 144 -15.310 -49.879 39.659 1.00 31.12 C +ATOM 1317 O ILE A 144 -14.544 -50.795 39.359 1.00 31.52 O +ATOM 1318 CB ILE A 144 -14.639 -48.509 41.578 1.00 19.41 C +ATOM 1319 CG1 ILE A 144 -15.090 -47.149 41.051 1.00 19.52 C +ATOM 1320 CG2 ILE A 144 -13.242 -48.830 41.087 1.00 17.11 C +ATOM 1321 CD1 ILE A 144 -14.432 -45.962 41.709 1.00 13.99 C +ATOM 1322 H ILE A 144 -14.893 -51.526 41.379 1.00 15.00 H +ATOM 1323 N ASN A 145 -15.922 -49.125 38.759 1.00 32.85 N +ATOM 1324 CA ASN A 145 -15.689 -49.348 37.352 1.00 35.20 C +ATOM 1325 C ASN A 145 -15.525 -48.027 36.682 1.00 35.75 C +ATOM 1326 O ASN A 145 -16.348 -47.126 36.855 1.00 38.79 O +ATOM 1327 CB ASN A 145 -16.857 -50.082 36.718 1.00 42.66 C +ATOM 1328 CG ASN A 145 -16.418 -50.978 35.598 1.00 50.46 C +ATOM 1329 OD1 ASN A 145 -15.340 -50.795 35.029 1.00 59.54 O +ATOM 1330 ND2 ASN A 145 -17.221 -51.986 35.301 1.00 50.59 N +ATOM 1331 H ASN A 145 -16.540 -48.410 39.035 1.00 15.00 H +ATOM 1332 HD21 ASN A 145 -16.933 -52.570 34.574 1.00 15.00 H +ATOM 1333 HD22 ASN A 145 -18.046 -52.091 35.817 1.00 15.00 H +ATOM 1334 N VAL A 146 -14.431 -47.888 35.959 1.00 34.31 N +ATOM 1335 CA VAL A 146 -14.173 -46.657 35.256 1.00 45.05 C +ATOM 1336 C VAL A 146 -14.174 -46.963 33.775 1.00 50.62 C +ATOM 1337 O VAL A 146 -13.885 -48.088 33.358 1.00 54.00 O +ATOM 1338 CB VAL A 146 -12.835 -46.037 35.661 1.00 43.88 C +ATOM 1339 CG1 VAL A 146 -12.835 -45.734 37.145 1.00 44.21 C +ATOM 1340 CG2 VAL A 146 -11.694 -46.965 35.300 1.00 56.02 C +ATOM 1341 H VAL A 146 -13.828 -48.650 35.826 1.00 15.00 H +ATOM 1342 N LYS A 147 -14.541 -45.966 32.987 1.00 53.34 N +ATOM 1343 CA LYS A 147 -14.588 -46.107 31.545 1.00 54.78 C +ATOM 1344 C LYS A 147 -14.256 -44.766 30.917 1.00 49.34 C +ATOM 1345 O LYS A 147 -14.704 -43.720 31.392 1.00 43.38 O +ATOM 1346 CB LYS A 147 -15.973 -46.598 31.108 1.00 61.36 C +ATOM 1347 CG LYS A 147 -17.140 -45.881 31.778 1.00 65.52 C +ATOM 1348 CD LYS A 147 -18.386 -46.764 31.833 1.00 74.86 C +ATOM 1349 CE LYS A 147 -18.880 -47.161 30.445 1.00 81.40 C +ATOM 1350 NZ LYS A 147 -20.088 -48.038 30.503 1.00 80.70 N +ATOM 1351 H LYS A 147 -14.812 -45.105 33.377 1.00 15.00 H +ATOM 1352 HZ1 LYS A 147 -19.873 -48.905 31.034 1.00 15.00 H +ATOM 1353 HZ2 LYS A 147 -20.856 -47.522 30.976 1.00 15.00 H +ATOM 1354 HZ3 LYS A 147 -20.378 -48.281 29.534 1.00 15.00 H +ATOM 1355 N TRP A 148 -13.377 -44.797 29.925 1.00 47.39 N +ATOM 1356 CA TRP A 148 -12.983 -43.585 29.228 1.00 52.38 C +ATOM 1357 C TRP A 148 -13.954 -43.308 28.094 1.00 55.48 C +ATOM 1358 O TRP A 148 -14.600 -44.226 27.578 1.00 60.19 O +ATOM 1359 CB TRP A 148 -11.571 -43.713 28.674 1.00 51.17 C +ATOM 1360 CG TRP A 148 -10.506 -43.701 29.723 1.00 51.60 C +ATOM 1361 CD1 TRP A 148 -10.007 -44.776 30.401 1.00 44.65 C +ATOM 1362 CD2 TRP A 148 -9.773 -42.561 30.180 1.00 46.70 C +ATOM 1363 NE1 TRP A 148 -9.004 -44.377 31.245 1.00 39.96 N +ATOM 1364 CE2 TRP A 148 -8.836 -43.024 31.132 1.00 43.47 C +ATOM 1365 CE3 TRP A 148 -9.812 -41.195 29.874 1.00 38.94 C +ATOM 1366 CZ2 TRP A 148 -7.943 -42.169 31.783 1.00 43.98 C +ATOM 1367 CZ3 TRP A 148 -8.924 -40.346 30.520 1.00 42.13 C +ATOM 1368 CH2 TRP A 148 -8.001 -40.838 31.466 1.00 44.54 C +ATOM 1369 H TRP A 148 -13.012 -45.655 29.640 1.00 15.00 H +ATOM 1370 HE1 TRP A 148 -8.521 -44.968 31.869 1.00 15.00 H +ATOM 1371 N LYS A 149 -14.069 -42.036 27.736 1.00 51.92 N +ATOM 1372 CA LYS A 149 -14.946 -41.593 26.663 1.00 49.17 C +ATOM 1373 C LYS A 149 -14.206 -40.506 25.914 1.00 50.50 C +ATOM 1374 O LYS A 149 -13.702 -39.578 26.535 1.00 62.21 O +ATOM 1375 CB LYS A 149 -16.237 -41.001 27.229 1.00 40.14 C +ATOM 1376 CG LYS A 149 -17.240 -42.017 27.742 1.00 42.38 C +ATOM 1377 CD LYS A 149 -18.431 -41.318 28.360 1.00 47.79 C +ATOM 1378 CE LYS A 149 -19.632 -42.242 28.485 1.00 56.06 C +ATOM 1379 NZ LYS A 149 -20.857 -41.467 28.881 1.00 64.06 N +ATOM 1380 H LYS A 149 -13.557 -41.350 28.212 1.00 15.00 H +ATOM 1381 HZ1 LYS A 149 -21.056 -40.726 28.180 1.00 15.00 H +ATOM 1382 HZ2 LYS A 149 -21.669 -42.114 28.940 1.00 15.00 H +ATOM 1383 HZ3 LYS A 149 -20.700 -41.030 29.811 1.00 15.00 H +ATOM 1384 N ILE A 150 -14.076 -40.647 24.601 1.00 49.06 N +ATOM 1385 CA ILE A 150 -13.403 -39.632 23.802 1.00 49.64 C +ATOM 1386 C ILE A 150 -14.427 -38.525 23.469 1.00 56.46 C +ATOM 1387 O ILE A 150 -14.995 -37.908 24.377 1.00 60.53 O +ATOM 1388 CB ILE A 150 -12.775 -40.235 22.518 1.00 43.60 C +ATOM 1389 CG1 ILE A 150 -11.832 -41.389 22.867 1.00 41.44 C +ATOM 1390 CG2 ILE A 150 -11.958 -39.201 21.796 1.00 40.75 C +ATOM 1391 CD1 ILE A 150 -10.495 -40.980 23.422 1.00 23.72 C +ATOM 1392 H ILE A 150 -14.445 -41.454 24.184 1.00 15.00 H +ATOM 1393 N ASP A 151 -14.707 -38.290 22.192 1.00 56.78 N +ATOM 1394 CA ASP A 151 -15.651 -37.237 21.846 1.00 62.92 C +ATOM 1395 C ASP A 151 -17.060 -37.679 22.189 1.00 68.17 C +ATOM 1396 O ASP A 151 -17.411 -38.856 22.040 1.00 63.32 O +ATOM 1397 CB ASP A 151 -15.550 -36.849 20.361 1.00 63.73 C +ATOM 1398 CG ASP A 151 -14.251 -36.121 20.023 1.00 58.12 C +ATOM 1399 OD1 ASP A 151 -13.729 -35.369 20.870 1.00 54.90 O +ATOM 1400 OD2 ASP A 151 -13.756 -36.298 18.893 1.00 62.09 O +ATOM 1401 H ASP A 151 -14.370 -38.844 21.472 1.00 15.00 H +ATOM 1402 N GLY A 152 -17.852 -36.733 22.679 1.00 78.33 N +ATOM 1403 CA GLY A 152 -19.220 -37.028 23.049 1.00 92.87 C +ATOM 1404 C GLY A 152 -19.273 -37.983 24.224 1.00102.04 C +ATOM 1405 O GLY A 152 -19.160 -37.561 25.379 1.00105.28 O +ATOM 1406 H GLY A 152 -17.502 -35.835 22.826 1.00 15.00 H +ATOM 1407 N SER A 153 -19.406 -39.274 23.922 1.00107.60 N +ATOM 1408 CA SER A 153 -19.485 -40.321 24.942 1.00114.09 C +ATOM 1409 C SER A 153 -19.114 -41.695 24.357 1.00113.33 C +ATOM 1410 O SER A 153 -19.761 -42.703 24.649 1.00115.43 O +ATOM 1411 CB SER A 153 -20.900 -40.375 25.552 1.00118.28 C +ATOM 1412 OG SER A 153 -21.273 -39.151 26.175 1.00125.61 O +ATOM 1413 H SER A 153 -19.429 -39.530 22.978 1.00 15.00 H +ATOM 1414 HG SER A 153 -20.478 -38.709 26.505 1.00 15.00 H +ATOM 1415 N GLU A 154 -18.064 -41.732 23.543 1.00109.99 N +ATOM 1416 CA GLU A 154 -17.620 -42.976 22.921 1.00107.49 C +ATOM 1417 C GLU A 154 -16.604 -43.702 23.806 1.00103.50 C +ATOM 1418 O GLU A 154 -15.555 -43.149 24.124 1.00107.07 O +ATOM 1419 CB GLU A 154 -17.032 -42.666 21.545 1.00113.30 C +ATOM 1420 CG GLU A 154 -18.001 -41.907 20.645 1.00124.05 C +ATOM 1421 CD GLU A 154 -17.354 -41.381 19.382 1.00131.23 C +ATOM 1422 OE1 GLU A 154 -17.282 -42.135 18.390 1.00135.26 O +ATOM 1423 OE2 GLU A 154 -16.928 -40.207 19.377 1.00136.23 O +ATOM 1424 H GLU A 154 -17.566 -40.905 23.368 1.00 15.00 H +ATOM 1425 N ARG A 155 -16.930 -44.928 24.207 1.00 98.63 N +ATOM 1426 CA ARG A 155 -16.068 -45.733 25.075 1.00 97.26 C +ATOM 1427 C ARG A 155 -14.877 -46.335 24.323 1.00 90.20 C +ATOM 1428 O ARG A 155 -14.950 -46.549 23.112 1.00 86.66 O +ATOM 1429 CB ARG A 155 -16.898 -46.848 25.734 1.00110.06 C +ATOM 1430 CG ARG A 155 -16.306 -47.412 27.026 1.00128.01 C +ATOM 1431 CD ARG A 155 -17.142 -48.562 27.595 1.00140.00 C +ATOM 1432 NE ARG A 155 -16.989 -49.806 26.838 1.00154.89 N +ATOM 1433 CZ ARG A 155 -15.949 -50.632 26.943 1.00162.51 C +ATOM 1434 NH1 ARG A 155 -14.952 -50.358 27.777 1.00166.60 N +ATOM 1435 NH2 ARG A 155 -15.903 -51.739 26.212 1.00164.16 N +ATOM 1436 H ARG A 155 -17.773 -45.310 23.898 1.00 15.00 H +ATOM 1437 HE ARG A 155 -17.703 -50.048 26.211 1.00 15.00 H +ATOM 1438 HH11 ARG A 155 -14.969 -49.528 28.333 1.00 15.00 H +ATOM 1439 HH12 ARG A 155 -14.177 -50.986 27.845 1.00 15.00 H +ATOM 1440 HH21 ARG A 155 -16.649 -51.957 25.582 1.00 15.00 H +ATOM 1441 HH22 ARG A 155 -15.123 -52.359 26.297 1.00 15.00 H +ATOM 1442 N GLN A 156 -13.809 -46.644 25.060 1.00 83.07 N +ATOM 1443 CA GLN A 156 -12.587 -47.222 24.493 1.00 79.82 C +ATOM 1444 C GLN A 156 -12.160 -48.459 25.316 1.00 75.99 C +ATOM 1445 O GLN A 156 -12.630 -48.652 26.444 1.00 71.15 O +ATOM 1446 CB GLN A 156 -11.474 -46.155 24.471 1.00 80.14 C +ATOM 1447 CG GLN A 156 -10.193 -46.519 23.691 1.00 83.41 C +ATOM 1448 CD GLN A 156 -10.188 -46.045 22.237 1.00 86.82 C +ATOM 1449 OE1 GLN A 156 -11.068 -45.304 21.802 1.00 91.10 O +ATOM 1450 NE2 GLN A 156 -9.173 -46.458 21.487 1.00 89.48 N +ATOM 1451 H GLN A 156 -13.851 -46.499 26.028 1.00 15.00 H +ATOM 1452 HE21 GLN A 156 -9.196 -46.174 20.551 1.00 15.00 H +ATOM 1453 HE22 GLN A 156 -8.461 -47.014 21.861 1.00 15.00 H +ATOM 1454 N ASN A 157 -11.276 -49.284 24.748 1.00 69.44 N +ATOM 1455 CA ASN A 157 -10.798 -50.505 25.402 1.00 64.30 C +ATOM 1456 C ASN A 157 -9.294 -50.576 25.713 1.00 61.86 C +ATOM 1457 O ASN A 157 -8.890 -51.343 26.588 1.00 67.82 O +ATOM 1458 CB ASN A 157 -11.180 -51.734 24.568 1.00 67.19 C +ATOM 1459 CG ASN A 157 -10.291 -51.909 23.335 1.00 67.66 C +ATOM 1460 OD1 ASN A 157 -9.605 -50.977 22.908 1.00 63.69 O +ATOM 1461 ND2 ASN A 157 -10.308 -53.101 22.759 1.00 62.41 N +ATOM 1462 H ASN A 157 -10.949 -49.089 23.847 1.00 15.00 H +ATOM 1463 HD21 ASN A 157 -9.739 -53.214 21.970 1.00 15.00 H +ATOM 1464 HD22 ASN A 157 -10.876 -53.798 23.133 1.00 15.00 H +ATOM 1465 N GLY A 158 -8.464 -49.846 24.966 1.00 51.62 N +ATOM 1466 CA GLY A 158 -7.025 -49.866 25.211 1.00 47.13 C +ATOM 1467 C GLY A 158 -6.584 -49.076 26.445 1.00 51.24 C +ATOM 1468 O GLY A 158 -5.954 -48.018 26.328 1.00 51.62 O +ATOM 1469 H GLY A 158 -8.812 -49.328 24.217 1.00 15.00 H +ATOM 1470 N VAL A 159 -6.890 -49.600 27.632 1.00 47.57 N +ATOM 1471 CA VAL A 159 -6.554 -48.938 28.891 1.00 36.82 C +ATOM 1472 C VAL A 159 -5.606 -49.805 29.723 1.00 43.02 C +ATOM 1473 O VAL A 159 -5.418 -50.997 29.435 1.00 47.12 O +ATOM 1474 CB VAL A 159 -7.819 -48.675 29.740 1.00 28.91 C +ATOM 1475 CG1 VAL A 159 -7.607 -47.489 30.662 1.00 30.92 C +ATOM 1476 CG2 VAL A 159 -9.017 -48.447 28.861 1.00 29.48 C +ATOM 1477 H VAL A 159 -7.310 -50.491 27.654 1.00 15.00 H +ATOM 1478 N LEU A 160 -5.055 -49.206 30.781 1.00 36.81 N +ATOM 1479 CA LEU A 160 -4.122 -49.873 31.688 1.00 25.17 C +ATOM 1480 C LEU A 160 -4.492 -49.459 33.099 1.00 23.73 C +ATOM 1481 O LEU A 160 -4.173 -48.349 33.522 1.00 24.70 O +ATOM 1482 CB LEU A 160 -2.720 -49.372 31.407 1.00 27.70 C +ATOM 1483 CG LEU A 160 -1.549 -50.319 31.574 1.00 20.96 C +ATOM 1484 CD1 LEU A 160 -1.435 -51.180 30.318 1.00 10.18 C +ATOM 1485 CD2 LEU A 160 -0.282 -49.487 31.769 1.00 21.64 C +ATOM 1486 H LEU A 160 -5.241 -48.259 30.948 1.00 15.00 H +ATOM 1487 N ASN A 161 -5.149 -50.346 33.834 1.00 29.21 N +ATOM 1488 CA ASN A 161 -5.581 -50.031 35.196 1.00 24.51 C +ATOM 1489 C ASN A 161 -4.705 -50.614 36.277 1.00 19.76 C +ATOM 1490 O ASN A 161 -4.045 -51.633 36.066 1.00 16.77 O +ATOM 1491 CB ASN A 161 -7.007 -50.501 35.404 1.00 28.85 C +ATOM 1492 CG ASN A 161 -7.961 -49.813 34.489 1.00 34.58 C +ATOM 1493 OD1 ASN A 161 -7.750 -48.658 34.135 1.00 46.18 O +ATOM 1494 ND2 ASN A 161 -9.010 -50.511 34.074 1.00 42.80 N +ATOM 1495 H ASN A 161 -5.313 -51.225 33.452 1.00 15.00 H +ATOM 1496 HD21 ASN A 161 -9.655 -50.065 33.481 1.00 15.00 H +ATOM 1497 HD22 ASN A 161 -9.115 -51.435 34.375 1.00 15.00 H +ATOM 1498 N SER A 162 -4.759 -50.000 37.453 1.00 13.58 N +ATOM 1499 CA SER A 162 -3.972 -50.450 38.584 1.00 11.96 C +ATOM 1500 C SER A 162 -4.533 -49.908 39.890 1.00 15.05 C +ATOM 1501 O SER A 162 -4.737 -48.700 40.025 1.00 13.12 O +ATOM 1502 CB SER A 162 -2.523 -49.989 38.411 1.00 15.50 C +ATOM 1503 OG SER A 162 -1.721 -50.348 39.519 1.00 20.98 O +ATOM 1504 H SER A 162 -5.299 -49.194 37.571 1.00 15.00 H +ATOM 1505 HG SER A 162 -0.828 -50.587 39.214 1.00 15.00 H +ATOM 1506 N TRP A 163 -4.819 -50.811 40.830 1.00 23.79 N +ATOM 1507 CA TRP A 163 -5.322 -50.447 42.159 1.00 26.24 C +ATOM 1508 C TRP A 163 -4.211 -50.740 43.146 1.00 23.23 C +ATOM 1509 O TRP A 163 -3.289 -51.496 42.856 1.00 28.92 O +ATOM 1510 CB TRP A 163 -6.475 -51.333 42.618 1.00 27.13 C +ATOM 1511 CG TRP A 163 -7.659 -51.410 41.767 1.00 32.68 C +ATOM 1512 CD1 TRP A 163 -8.936 -51.120 42.136 1.00 33.87 C +ATOM 1513 CD2 TRP A 163 -7.734 -51.959 40.449 1.00 35.07 C +ATOM 1514 NE1 TRP A 163 -9.805 -51.476 41.140 1.00 40.52 N +ATOM 1515 CE2 TRP A 163 -9.093 -51.991 40.090 1.00 42.42 C +ATOM 1516 CE3 TRP A 163 -6.783 -52.436 39.538 1.00 44.58 C +ATOM 1517 CZ2 TRP A 163 -9.529 -52.484 38.854 1.00 52.35 C +ATOM 1518 CZ3 TRP A 163 -7.215 -52.927 38.307 1.00 46.19 C +ATOM 1519 CH2 TRP A 163 -8.574 -52.946 37.979 1.00 47.18 C +ATOM 1520 H TRP A 163 -4.618 -51.753 40.669 1.00 15.00 H +ATOM 1521 HE1 TRP A 163 -10.781 -51.366 41.179 1.00 15.00 H +ATOM 1522 N THR A 164 -4.353 -50.204 44.343 1.00 25.87 N +ATOM 1523 CA THR A 164 -3.396 -50.444 45.406 1.00 37.87 C +ATOM 1524 C THR A 164 -4.050 -51.375 46.429 1.00 42.06 C +ATOM 1525 O THR A 164 -5.220 -51.731 46.292 1.00 51.06 O +ATOM 1526 CB THR A 164 -2.972 -49.141 46.096 1.00 36.06 C +ATOM 1527 OG1 THR A 164 -4.128 -48.440 46.563 1.00 38.55 O +ATOM 1528 CG2 THR A 164 -2.209 -48.267 45.141 1.00 40.15 C +ATOM 1529 H THR A 164 -5.125 -49.630 44.528 1.00 15.00 H +ATOM 1530 HG1 THR A 164 -4.453 -48.904 47.349 1.00 15.00 H +ATOM 1531 N ASP A 165 -3.277 -51.833 47.406 1.00 45.41 N +ATOM 1532 CA ASP A 165 -3.821 -52.697 48.445 1.00 39.84 C +ATOM 1533 C ASP A 165 -4.499 -51.761 49.426 1.00 37.00 C +ATOM 1534 O ASP A 165 -4.224 -50.562 49.426 1.00 39.39 O +ATOM 1535 CB ASP A 165 -2.699 -53.465 49.149 1.00 47.76 C +ATOM 1536 CG ASP A 165 -2.175 -54.626 48.323 1.00 54.37 C +ATOM 1537 OD1 ASP A 165 -2.988 -55.516 47.991 1.00 57.64 O +ATOM 1538 OD2 ASP A 165 -0.958 -54.658 48.019 1.00 52.62 O +ATOM 1539 H ASP A 165 -2.336 -51.583 47.451 1.00 15.00 H +ATOM 1540 N GLN A 166 -5.387 -52.290 50.255 1.00 28.34 N +ATOM 1541 CA GLN A 166 -6.077 -51.460 51.228 1.00 22.42 C +ATOM 1542 C GLN A 166 -5.067 -50.676 52.048 1.00 26.39 C +ATOM 1543 O GLN A 166 -4.198 -51.253 52.691 1.00 36.39 O +ATOM 1544 CB GLN A 166 -6.923 -52.331 52.141 1.00 26.46 C +ATOM 1545 CG GLN A 166 -7.623 -51.579 53.246 1.00 28.83 C +ATOM 1546 CD GLN A 166 -8.619 -52.453 53.969 1.00 42.04 C +ATOM 1547 OE1 GLN A 166 -8.545 -53.687 53.907 1.00 41.20 O +ATOM 1548 NE2 GLN A 166 -9.570 -51.825 54.649 1.00 43.39 N +ATOM 1549 H GLN A 166 -5.563 -53.248 50.229 1.00 15.00 H +ATOM 1550 HE21 GLN A 166 -10.257 -52.361 55.090 1.00 15.00 H +ATOM 1551 HE22 GLN A 166 -9.565 -50.848 54.650 1.00 15.00 H +ATOM 1552 N ASP A 167 -5.160 -49.357 51.999 1.00 40.35 N +ATOM 1553 CA ASP A 167 -4.243 -48.497 52.740 1.00 54.09 C +ATOM 1554 C ASP A 167 -4.336 -48.727 54.234 1.00 55.25 C +ATOM 1555 O ASP A 167 -5.425 -48.836 54.787 1.00 56.60 O +ATOM 1556 CB ASP A 167 -4.525 -47.017 52.443 1.00 60.72 C +ATOM 1557 CG ASP A 167 -3.600 -46.072 53.210 1.00 62.91 C +ATOM 1558 OD1 ASP A 167 -2.367 -46.136 53.017 1.00 68.20 O +ATOM 1559 OD2 ASP A 167 -4.109 -45.257 54.004 1.00 65.31 O +ATOM 1560 H ASP A 167 -5.843 -48.963 51.434 1.00 15.00 H +ATOM 1561 N SER A 168 -3.179 -48.717 54.880 1.00 60.49 N +ATOM 1562 CA SER A 168 -3.060 -48.910 56.313 1.00 66.70 C +ATOM 1563 C SER A 168 -3.930 -47.948 57.122 1.00 71.39 C +ATOM 1564 O SER A 168 -4.867 -48.374 57.792 1.00 75.70 O +ATOM 1565 CB SER A 168 -1.594 -48.736 56.710 1.00 68.48 C +ATOM 1566 OG SER A 168 -1.082 -47.501 56.222 1.00 59.69 O +ATOM 1567 H SER A 168 -2.359 -48.573 54.370 1.00 15.00 H +ATOM 1568 HG SER A 168 -0.138 -47.462 56.424 1.00 15.00 H +ATOM 1569 N LYS A 169 -3.620 -46.654 57.044 1.00 74.09 N +ATOM 1570 CA LYS A 169 -4.356 -45.632 57.787 1.00 76.10 C +ATOM 1571 C LYS A 169 -5.827 -45.462 57.407 1.00 74.98 C +ATOM 1572 O LYS A 169 -6.715 -45.739 58.206 1.00 80.13 O +ATOM 1573 CB LYS A 169 -3.653 -44.270 57.692 1.00 87.04 C +ATOM 1574 CG LYS A 169 -4.390 -43.151 58.450 1.00100.88 C +ATOM 1575 CD LYS A 169 -3.855 -41.744 58.153 1.00108.11 C +ATOM 1576 CE LYS A 169 -4.660 -40.678 58.912 1.00111.75 C +ATOM 1577 NZ LYS A 169 -4.176 -39.282 58.689 1.00113.18 N +ATOM 1578 H LYS A 169 -2.857 -46.406 56.481 1.00 15.00 H +ATOM 1579 HZ1 LYS A 169 -3.176 -39.214 58.971 1.00 15.00 H +ATOM 1580 HZ2 LYS A 169 -4.267 -39.045 57.679 1.00 15.00 H +ATOM 1581 HZ3 LYS A 169 -4.737 -38.616 59.257 1.00 15.00 H +ATOM 1582 N ASP A 170 -6.072 -44.974 56.195 1.00 73.09 N +ATOM 1583 CA ASP A 170 -7.420 -44.716 55.688 1.00 67.57 C +ATOM 1584 C ASP A 170 -8.301 -45.944 55.486 1.00 57.23 C +ATOM 1585 O ASP A 170 -9.520 -45.828 55.432 1.00 65.56 O +ATOM 1586 CB ASP A 170 -7.332 -43.986 54.333 1.00 78.37 C +ATOM 1587 CG ASP A 170 -6.608 -42.639 54.413 1.00 92.28 C +ATOM 1588 OD1 ASP A 170 -5.392 -42.620 54.711 1.00100.87 O +ATOM 1589 OD2 ASP A 170 -7.252 -41.596 54.144 1.00 96.64 O +ATOM 1590 H ASP A 170 -5.306 -44.765 55.634 1.00 15.00 H +ATOM 1591 N SER A 171 -7.689 -47.107 55.319 1.00 45.37 N +ATOM 1592 CA SER A 171 -8.427 -48.340 55.056 1.00 42.39 C +ATOM 1593 C SER A 171 -9.068 -48.292 53.678 1.00 44.80 C +ATOM 1594 O SER A 171 -9.853 -49.174 53.336 1.00 45.77 O +ATOM 1595 CB SER A 171 -9.518 -48.596 56.101 1.00 37.71 C +ATOM 1596 OG SER A 171 -8.973 -49.035 57.330 1.00 45.53 O +ATOM 1597 H SER A 171 -6.717 -47.193 55.392 1.00 15.00 H +ATOM 1598 HG SER A 171 -8.370 -48.360 57.671 1.00 15.00 H +ATOM 1599 N THR A 172 -8.716 -47.283 52.883 1.00 43.57 N +ATOM 1600 CA THR A 172 -9.281 -47.125 51.544 1.00 41.72 C +ATOM 1601 C THR A 172 -8.411 -47.714 50.436 1.00 44.66 C +ATOM 1602 O THR A 172 -7.370 -48.323 50.695 1.00 48.19 O +ATOM 1603 CB THR A 172 -9.519 -45.653 51.217 1.00 37.47 C +ATOM 1604 OG1 THR A 172 -8.262 -44.965 51.183 1.00 42.86 O +ATOM 1605 CG2 THR A 172 -10.415 -45.014 52.262 1.00 37.86 C +ATOM 1606 H THR A 172 -8.058 -46.620 53.147 1.00 15.00 H +ATOM 1607 HG1 THR A 172 -8.399 -44.035 50.982 1.00 15.00 H +ATOM 1608 N TYR A 173 -8.866 -47.551 49.199 1.00 43.09 N +ATOM 1609 CA TYR A 173 -8.140 -48.029 48.034 1.00 38.53 C +ATOM 1610 C TYR A 173 -7.915 -46.848 47.122 1.00 31.15 C +ATOM 1611 O TYR A 173 -8.424 -45.755 47.370 1.00 43.70 O +ATOM 1612 CB TYR A 173 -8.953 -49.069 47.265 1.00 41.57 C +ATOM 1613 CG TYR A 173 -9.127 -50.387 47.974 1.00 48.87 C +ATOM 1614 CD1 TYR A 173 -8.081 -51.305 48.048 1.00 56.60 C +ATOM 1615 CD2 TYR A 173 -10.333 -50.712 48.578 1.00 47.47 C +ATOM 1616 CE1 TYR A 173 -8.236 -52.510 48.713 1.00 66.86 C +ATOM 1617 CE2 TYR A 173 -10.499 -51.909 49.243 1.00 57.79 C +ATOM 1618 CZ TYR A 173 -9.451 -52.803 49.312 1.00 67.18 C +ATOM 1619 OH TYR A 173 -9.624 -53.979 50.003 1.00 83.94 O +ATOM 1620 H TYR A 173 -9.720 -47.106 49.041 1.00 15.00 H +ATOM 1621 HH TYR A 173 -8.810 -54.486 50.031 1.00 15.00 H +ATOM 1622 N SER A 174 -7.135 -47.067 46.077 1.00 20.15 N +ATOM 1623 CA SER A 174 -6.865 -46.047 45.088 1.00 21.70 C +ATOM 1624 C SER A 174 -6.639 -46.752 43.766 1.00 26.97 C +ATOM 1625 O SER A 174 -6.389 -47.961 43.733 1.00 29.05 O +ATOM 1626 CB SER A 174 -5.684 -45.175 45.482 1.00 22.35 C +ATOM 1627 OG SER A 174 -6.016 -44.395 46.618 1.00 33.25 O +ATOM 1628 H SER A 174 -6.716 -47.941 45.933 1.00 15.00 H +ATOM 1629 HG SER A 174 -6.928 -44.632 46.846 1.00 15.00 H +ATOM 1630 N MET A 175 -6.799 -46.013 42.678 1.00 32.66 N +ATOM 1631 CA MET A 175 -6.659 -46.576 41.347 1.00 28.43 C +ATOM 1632 C MET A 175 -6.171 -45.538 40.355 1.00 26.35 C +ATOM 1633 O MET A 175 -6.474 -44.346 40.484 1.00 29.23 O +ATOM 1634 CB MET A 175 -8.009 -47.143 40.892 1.00 23.58 C +ATOM 1635 CG MET A 175 -8.155 -47.314 39.399 1.00 20.19 C +ATOM 1636 SD MET A 175 -9.682 -48.145 39.018 1.00 23.42 S +ATOM 1637 CE MET A 175 -9.265 -48.952 37.476 1.00 10.11 C +ATOM 1638 H MET A 175 -7.036 -45.063 42.755 1.00 15.00 H +ATOM 1639 N SER A 176 -5.407 -45.997 39.372 1.00 12.85 N +ATOM 1640 CA SER A 176 -4.892 -45.126 38.361 1.00 3.42 C +ATOM 1641 C SER A 176 -5.161 -45.796 37.044 1.00 19.31 C +ATOM 1642 O SER A 176 -4.608 -46.864 36.756 1.00 26.32 O +ATOM 1643 CB SER A 176 -3.401 -44.860 38.584 1.00 9.49 C +ATOM 1644 OG SER A 176 -2.608 -45.085 37.423 1.00 11.02 O +ATOM 1645 H SER A 176 -5.168 -46.946 39.338 1.00 15.00 H +ATOM 1646 HG SER A 176 -2.679 -46.018 37.172 1.00 15.00 H +ATOM 1647 N SER A 177 -6.097 -45.206 36.303 1.00 24.07 N +ATOM 1648 CA SER A 177 -6.483 -45.678 34.980 1.00 24.81 C +ATOM 1649 C SER A 177 -5.785 -44.774 33.977 1.00 17.88 C +ATOM 1650 O SER A 177 -5.849 -43.548 34.084 1.00 23.44 O +ATOM 1651 CB SER A 177 -7.993 -45.567 34.793 1.00 29.77 C +ATOM 1652 OG SER A 177 -8.370 -46.081 33.527 1.00 34.29 O +ATOM 1653 H SER A 177 -6.527 -44.390 36.638 1.00 15.00 H +ATOM 1654 HG SER A 177 -8.270 -47.037 33.554 1.00 15.00 H +ATOM 1655 N THR A 178 -5.161 -45.379 32.981 1.00 16.54 N +ATOM 1656 CA THR A 178 -4.423 -44.633 31.987 1.00 23.87 C +ATOM 1657 C THR A 178 -4.744 -45.047 30.556 1.00 32.28 C +ATOM 1658 O THR A 178 -4.597 -46.217 30.192 1.00 34.58 O +ATOM 1659 CB THR A 178 -2.920 -44.838 32.245 1.00 18.76 C +ATOM 1660 OG1 THR A 178 -2.539 -44.084 33.397 1.00 23.66 O +ATOM 1661 CG2 THR A 178 -2.077 -44.424 31.057 1.00 28.41 C +ATOM 1662 H THR A 178 -5.176 -46.356 32.919 1.00 15.00 H +ATOM 1663 HG1 THR A 178 -2.979 -44.455 34.166 1.00 15.00 H +ATOM 1664 N LEU A 179 -5.169 -44.078 29.751 1.00 37.10 N +ATOM 1665 CA LEU A 179 -5.486 -44.302 28.348 1.00 37.49 C +ATOM 1666 C LEU A 179 -4.242 -43.856 27.577 1.00 34.09 C +ATOM 1667 O LEU A 179 -3.779 -42.730 27.755 1.00 37.02 O +ATOM 1668 CB LEU A 179 -6.672 -43.420 27.959 1.00 33.37 C +ATOM 1669 CG LEU A 179 -7.585 -43.848 26.811 1.00 32.25 C +ATOM 1670 CD1 LEU A 179 -8.390 -42.638 26.377 1.00 17.94 C +ATOM 1671 CD2 LEU A 179 -6.792 -44.409 25.633 1.00 28.26 C +ATOM 1672 H LEU A 179 -5.257 -43.173 30.119 1.00 15.00 H +ATOM 1673 N THR A 180 -3.723 -44.708 26.705 1.00 30.39 N +ATOM 1674 CA THR A 180 -2.527 -44.365 25.943 1.00 38.93 C +ATOM 1675 C THR A 180 -2.706 -44.386 24.406 1.00 35.89 C +ATOM 1676 O THR A 180 -2.850 -45.439 23.783 1.00 34.52 O +ATOM 1677 CB THR A 180 -1.334 -45.255 26.389 1.00 48.09 C +ATOM 1678 OG1 THR A 180 -0.218 -45.068 25.505 1.00 55.00 O +ATOM 1679 CG2 THR A 180 -1.741 -46.739 26.448 1.00 51.60 C +ATOM 1680 H THR A 180 -4.143 -45.578 26.539 1.00 15.00 H +ATOM 1681 HG1 THR A 180 0.157 -44.196 25.676 1.00 15.00 H +ATOM 1682 N LEU A 181 -2.665 -43.201 23.807 1.00 36.99 N +ATOM 1683 CA LEU A 181 -2.828 -43.013 22.370 1.00 31.78 C +ATOM 1684 C LEU A 181 -1.538 -42.590 21.699 1.00 37.71 C +ATOM 1685 O LEU A 181 -0.466 -42.552 22.315 1.00 30.32 O +ATOM 1686 CB LEU A 181 -3.829 -41.894 22.130 1.00 22.02 C +ATOM 1687 CG LEU A 181 -5.132 -42.032 22.904 1.00 20.94 C +ATOM 1688 CD1 LEU A 181 -5.650 -40.676 23.362 1.00 32.83 C +ATOM 1689 CD2 LEU A 181 -6.130 -42.742 22.015 1.00 33.86 C +ATOM 1690 H LEU A 181 -2.535 -42.419 24.358 1.00 15.00 H +ATOM 1691 N THR A 182 -1.675 -42.245 20.422 1.00 43.14 N +ATOM 1692 CA THR A 182 -0.576 -41.760 19.607 1.00 35.12 C +ATOM 1693 C THR A 182 -0.897 -40.283 19.517 1.00 34.74 C +ATOM 1694 O THR A 182 -2.076 -39.913 19.594 1.00 33.71 O +ATOM 1695 CB THR A 182 -0.614 -42.390 18.215 1.00 32.88 C +ATOM 1696 OG1 THR A 182 -1.882 -42.133 17.604 1.00 28.36 O +ATOM 1697 CG2 THR A 182 -0.457 -43.875 18.332 1.00 34.89 C +ATOM 1698 H THR A 182 -2.546 -42.281 19.979 1.00 15.00 H +ATOM 1699 HG1 THR A 182 -1.961 -42.681 16.810 1.00 15.00 H +ATOM 1700 N LYS A 183 0.134 -39.442 19.412 1.00 35.32 N +ATOM 1701 CA LYS A 183 -0.048 -37.980 19.331 1.00 32.65 C +ATOM 1702 C LYS A 183 -1.184 -37.642 18.387 1.00 26.97 C +ATOM 1703 O LYS A 183 -2.230 -37.137 18.804 1.00 22.89 O +ATOM 1704 CB LYS A 183 1.236 -37.296 18.843 1.00 26.47 C +ATOM 1705 CG LYS A 183 1.083 -35.814 18.491 1.00 23.64 C +ATOM 1706 CD LYS A 183 2.440 -35.170 18.141 1.00 28.31 C +ATOM 1707 CE LYS A 183 2.280 -33.848 17.397 1.00 31.11 C +ATOM 1708 NZ LYS A 183 1.644 -34.044 16.045 1.00 45.44 N +ATOM 1709 H LYS A 183 1.043 -39.812 19.403 1.00 15.00 H +ATOM 1710 HZ1 LYS A 183 0.718 -34.503 16.173 1.00 15.00 H +ATOM 1711 HZ2 LYS A 183 1.507 -33.122 15.583 1.00 15.00 H +ATOM 1712 HZ3 LYS A 183 2.248 -34.647 15.449 1.00 15.00 H +ATOM 1713 N ASP A 184 -0.964 -38.004 17.128 1.00 22.20 N +ATOM 1714 CA ASP A 184 -1.904 -37.806 16.049 1.00 13.18 C +ATOM 1715 C ASP A 184 -3.294 -38.221 16.506 1.00 16.53 C +ATOM 1716 O ASP A 184 -4.157 -37.359 16.679 1.00 27.16 O +ATOM 1717 CB ASP A 184 -1.439 -38.623 14.849 1.00 21.76 C +ATOM 1718 CG ASP A 184 0.023 -38.331 14.469 1.00 29.64 C +ATOM 1719 OD1 ASP A 184 0.481 -37.159 14.550 1.00 25.77 O +ATOM 1720 OD2 ASP A 184 0.717 -39.286 14.082 1.00 28.40 O +ATOM 1721 H ASP A 184 -0.113 -38.435 16.928 1.00 15.00 H +ATOM 1722 N GLU A 185 -3.483 -39.505 16.811 1.00 11.79 N +ATOM 1723 CA GLU A 185 -4.785 -40.002 17.273 1.00 9.85 C +ATOM 1724 C GLU A 185 -5.352 -39.201 18.454 1.00 13.98 C +ATOM 1725 O GLU A 185 -6.574 -39.066 18.613 1.00 7.65 O +ATOM 1726 CB GLU A 185 -4.688 -41.468 17.659 1.00 21.49 C +ATOM 1727 CG GLU A 185 -5.795 -42.348 17.067 1.00 42.88 C +ATOM 1728 CD GLU A 185 -7.030 -42.475 17.959 1.00 47.33 C +ATOM 1729 OE1 GLU A 185 -7.783 -41.483 18.090 1.00 49.76 O +ATOM 1730 OE2 GLU A 185 -7.258 -43.581 18.511 1.00 54.12 O +ATOM 1731 H GLU A 185 -2.741 -40.134 16.752 1.00 15.00 H +ATOM 1732 N TYR A 186 -4.473 -38.680 19.295 1.00 18.45 N +ATOM 1733 CA TYR A 186 -4.929 -37.895 20.421 1.00 19.64 C +ATOM 1734 C TYR A 186 -5.432 -36.576 19.860 1.00 28.70 C +ATOM 1735 O TYR A 186 -6.462 -36.050 20.302 1.00 25.08 O +ATOM 1736 CB TYR A 186 -3.778 -37.655 21.397 1.00 15.42 C +ATOM 1737 CG TYR A 186 -4.034 -36.555 22.410 1.00 18.03 C +ATOM 1738 CD1 TYR A 186 -5.204 -36.530 23.182 1.00 21.65 C +ATOM 1739 CD2 TYR A 186 -3.121 -35.511 22.572 1.00 7.81 C +ATOM 1740 CE1 TYR A 186 -5.460 -35.474 24.099 1.00 10.87 C +ATOM 1741 CE2 TYR A 186 -3.363 -34.457 23.478 1.00 14.68 C +ATOM 1742 CZ TYR A 186 -4.531 -34.442 24.235 1.00 8.55 C +ATOM 1743 OH TYR A 186 -4.765 -33.401 25.115 1.00 5.86 O +ATOM 1744 H TYR A 186 -3.515 -38.799 19.156 1.00 15.00 H +ATOM 1745 HH TYR A 186 -4.142 -32.657 25.038 1.00 15.00 H +ATOM 1746 N GLU A 187 -4.733 -36.088 18.836 1.00 37.05 N +ATOM 1747 CA GLU A 187 -5.049 -34.813 18.189 1.00 44.72 C +ATOM 1748 C GLU A 187 -6.322 -34.771 17.341 1.00 47.57 C +ATOM 1749 O GLU A 187 -6.886 -33.698 17.116 1.00 46.78 O +ATOM 1750 CB GLU A 187 -3.853 -34.332 17.366 1.00 36.20 C +ATOM 1751 CG GLU A 187 -2.631 -33.989 18.212 1.00 49.30 C +ATOM 1752 CD GLU A 187 -1.484 -33.399 17.401 1.00 55.15 C +ATOM 1753 OE1 GLU A 187 -1.323 -33.791 16.222 1.00 62.39 O +ATOM 1754 OE2 GLU A 187 -0.738 -32.547 17.947 1.00 50.09 O +ATOM 1755 H GLU A 187 -3.993 -36.615 18.489 1.00 15.00 H +ATOM 1756 N ARG A 188 -6.785 -35.929 16.883 1.00 42.12 N +ATOM 1757 CA ARG A 188 -7.994 -35.977 16.065 1.00 38.62 C +ATOM 1758 C ARG A 188 -9.273 -35.662 16.839 1.00 36.55 C +ATOM 1759 O ARG A 188 -10.323 -35.425 16.232 1.00 42.60 O +ATOM 1760 CB ARG A 188 -8.156 -37.348 15.403 1.00 28.36 C +ATOM 1761 CG ARG A 188 -6.884 -37.936 14.847 1.00 24.43 C +ATOM 1762 CD ARG A 188 -7.132 -38.812 13.637 1.00 22.16 C +ATOM 1763 NE ARG A 188 -7.837 -40.065 13.905 1.00 32.72 N +ATOM 1764 CZ ARG A 188 -9.154 -40.181 14.078 1.00 39.36 C +ATOM 1765 NH1 ARG A 188 -9.942 -39.108 14.037 1.00 42.95 N +ATOM 1766 NH2 ARG A 188 -9.702 -41.389 14.191 1.00 36.87 N +ATOM 1767 H ARG A 188 -6.280 -36.738 17.106 1.00 15.00 H +ATOM 1768 HE ARG A 188 -7.301 -40.885 13.952 1.00 15.00 H +ATOM 1769 HH11 ARG A 188 -9.566 -38.203 13.855 1.00 15.00 H +ATOM 1770 HH12 ARG A 188 -10.928 -39.214 14.174 1.00 15.00 H +ATOM 1771 HH21 ARG A 188 -9.125 -42.204 14.143 1.00 15.00 H +ATOM 1772 HH22 ARG A 188 -10.690 -41.481 14.319 1.00 15.00 H +ATOM 1773 N HIS A 189 -9.210 -35.693 18.168 1.00 23.00 N +ATOM 1774 CA HIS A 189 -10.402 -35.433 18.959 1.00 18.94 C +ATOM 1775 C HIS A 189 -10.279 -34.224 19.863 1.00 25.38 C +ATOM 1776 O HIS A 189 -9.199 -33.657 20.021 1.00 30.18 O +ATOM 1777 CB HIS A 189 -10.778 -36.648 19.790 1.00 16.59 C +ATOM 1778 CG HIS A 189 -10.779 -37.935 19.025 1.00 27.78 C +ATOM 1779 ND1 HIS A 189 -11.893 -38.414 18.369 1.00 28.22 N +ATOM 1780 CD2 HIS A 189 -9.816 -38.877 18.869 1.00 27.19 C +ATOM 1781 CE1 HIS A 189 -11.620 -39.599 17.850 1.00 33.46 C +ATOM 1782 NE2 HIS A 189 -10.366 -39.902 18.139 1.00 29.47 N +ATOM 1783 H HIS A 189 -8.353 -35.824 18.632 1.00 15.00 H +ATOM 1784 HD1 HIS A 189 -12.747 -37.960 18.223 1.00 15.00 H +ATOM 1785 HE2 HIS A 189 -9.886 -40.717 17.880 1.00 15.00 H +ATOM 1786 N ASN A 190 -11.400 -33.847 20.466 1.00 27.39 N +ATOM 1787 CA ASN A 190 -11.439 -32.696 21.339 1.00 31.88 C +ATOM 1788 C ASN A 190 -11.705 -32.987 22.811 1.00 36.23 C +ATOM 1789 O ASN A 190 -10.950 -32.525 23.656 1.00 46.49 O +ATOM 1790 CB ASN A 190 -12.450 -31.685 20.816 1.00 49.22 C +ATOM 1791 CG ASN A 190 -12.357 -30.353 21.526 1.00 66.30 C +ATOM 1792 OD1 ASN A 190 -12.654 -30.245 22.715 1.00 72.90 O +ATOM 1793 ND2 ASN A 190 -11.930 -29.328 20.801 1.00 82.30 N +ATOM 1794 H ASN A 190 -12.209 -34.325 20.267 1.00 15.00 H +ATOM 1795 HD21 ASN A 190 -11.888 -28.454 21.230 1.00 15.00 H +ATOM 1796 HD22 ASN A 190 -11.688 -29.491 19.866 1.00 15.00 H +ATOM 1797 N SER A 191 -12.749 -33.744 23.141 1.00 32.26 N +ATOM 1798 CA SER A 191 -13.040 -34.014 24.551 1.00 39.70 C +ATOM 1799 C SER A 191 -12.607 -35.390 25.055 1.00 41.61 C +ATOM 1800 O SER A 191 -12.566 -36.351 24.289 1.00 43.85 O +ATOM 1801 CB SER A 191 -14.522 -33.794 24.845 1.00 37.20 C +ATOM 1802 OG SER A 191 -14.748 -33.686 26.241 1.00 43.88 O +ATOM 1803 H SER A 191 -13.335 -34.129 22.473 1.00 15.00 H +ATOM 1804 HG SER A 191 -14.647 -34.556 26.646 1.00 15.00 H +ATOM 1805 N TYR A 192 -12.230 -35.453 26.333 1.00 42.23 N +ATOM 1806 CA TYR A 192 -11.812 -36.694 26.992 1.00 30.28 C +ATOM 1807 C TYR A 192 -12.470 -36.751 28.355 1.00 27.54 C +ATOM 1808 O TYR A 192 -12.451 -35.771 29.115 1.00 22.82 O +ATOM 1809 CB TYR A 192 -10.301 -36.763 27.137 1.00 17.21 C +ATOM 1810 CG TYR A 192 -9.602 -36.910 25.819 1.00 18.05 C +ATOM 1811 CD1 TYR A 192 -9.412 -38.167 25.248 1.00 18.14 C +ATOM 1812 CD2 TYR A 192 -9.165 -35.797 25.120 1.00 14.80 C +ATOM 1813 CE1 TYR A 192 -8.802 -38.310 24.001 1.00 16.11 C +ATOM 1814 CE2 TYR A 192 -8.555 -35.930 23.872 1.00 21.81 C +ATOM 1815 CZ TYR A 192 -8.378 -37.188 23.317 1.00 17.48 C +ATOM 1816 OH TYR A 192 -7.781 -37.319 22.082 1.00 8.34 O +ATOM 1817 H TYR A 192 -12.220 -34.632 26.877 1.00 15.00 H +ATOM 1818 HH TYR A 192 -7.533 -36.440 21.764 1.00 15.00 H +ATOM 1819 N THR A 193 -13.088 -37.891 28.636 1.00 34.86 N +ATOM 1820 CA THR A 193 -13.803 -38.098 29.884 1.00 42.52 C +ATOM 1821 C THR A 193 -13.510 -39.418 30.580 1.00 36.35 C +ATOM 1822 O THR A 193 -13.498 -40.496 29.981 1.00 22.77 O +ATOM 1823 CB THR A 193 -15.327 -37.947 29.682 1.00 52.25 C +ATOM 1824 OG1 THR A 193 -15.642 -36.566 29.438 1.00 58.45 O +ATOM 1825 CG2 THR A 193 -16.096 -38.454 30.909 1.00 42.27 C +ATOM 1826 H THR A 193 -13.079 -38.611 27.978 1.00 15.00 H +ATOM 1827 HG1 THR A 193 -16.558 -36.509 29.143 1.00 15.00 H +ATOM 1828 N CYS A 194 -13.318 -39.291 31.879 1.00 34.39 N +ATOM 1829 CA CYS A 194 -13.023 -40.391 32.761 1.00 32.32 C +ATOM 1830 C CYS A 194 -14.307 -40.541 33.576 1.00 30.50 C +ATOM 1831 O CYS A 194 -14.653 -39.654 34.360 1.00 29.38 O +ATOM 1832 CB CYS A 194 -11.843 -39.952 33.616 1.00 33.56 C +ATOM 1833 SG CYS A 194 -11.369 -41.043 34.965 1.00 42.44 S +ATOM 1834 H CYS A 194 -13.383 -38.399 32.289 1.00 15.00 H +ATOM 1835 N GLU A 195 -15.042 -41.625 33.343 1.00 26.13 N +ATOM 1836 CA GLU A 195 -16.314 -41.838 34.025 1.00 39.12 C +ATOM 1837 C GLU A 195 -16.249 -42.949 35.052 1.00 38.84 C +ATOM 1838 O GLU A 195 -15.979 -44.103 34.714 1.00 39.54 O +ATOM 1839 CB GLU A 195 -17.404 -42.132 32.991 1.00 58.14 C +ATOM 1840 CG GLU A 195 -18.828 -42.044 33.524 1.00 79.14 C +ATOM 1841 CD GLU A 195 -19.868 -42.047 32.413 1.00 87.99 C +ATOM 1842 OE1 GLU A 195 -20.046 -40.993 31.763 1.00 94.04 O +ATOM 1843 OE2 GLU A 195 -20.507 -43.100 32.192 1.00 93.73 O +ATOM 1844 H GLU A 195 -14.735 -42.307 32.709 1.00 15.00 H +ATOM 1845 N ALA A 196 -16.589 -42.618 36.292 1.00 35.26 N +ATOM 1846 CA ALA A 196 -16.522 -43.582 37.373 1.00 30.96 C +ATOM 1847 C ALA A 196 -17.858 -43.926 37.991 1.00 34.11 C +ATOM 1848 O ALA A 196 -18.617 -43.041 38.378 1.00 28.31 O +ATOM 1849 CB ALA A 196 -15.596 -43.066 38.435 1.00 31.79 C +ATOM 1850 H ALA A 196 -16.907 -41.718 36.479 1.00 15.00 H +ATOM 1851 N THR A 197 -18.100 -45.221 38.150 1.00 39.71 N +ATOM 1852 CA THR A 197 -19.332 -45.733 38.744 1.00 53.41 C +ATOM 1853 C THR A 197 -18.973 -46.344 40.097 1.00 55.30 C +ATOM 1854 O THR A 197 -18.017 -47.122 40.179 1.00 59.95 O +ATOM 1855 CB THR A 197 -19.934 -46.825 37.847 1.00 60.13 C +ATOM 1856 OG1 THR A 197 -18.909 -47.763 37.474 1.00 64.05 O +ATOM 1857 CG2 THR A 197 -20.525 -46.205 36.594 1.00 67.26 C +ATOM 1858 H THR A 197 -17.419 -45.873 37.888 1.00 15.00 H +ATOM 1859 HG1 THR A 197 -18.241 -47.313 36.940 1.00 15.00 H +ATOM 1860 N HIS A 198 -19.730 -46.028 41.148 1.00 49.94 N +ATOM 1861 CA HIS A 198 -19.400 -46.567 42.460 1.00 49.05 C +ATOM 1862 C HIS A 198 -20.497 -46.410 43.495 1.00 52.05 C +ATOM 1863 O HIS A 198 -21.017 -45.322 43.687 1.00 54.29 O +ATOM 1864 CB HIS A 198 -18.135 -45.891 42.972 1.00 51.95 C +ATOM 1865 CG HIS A 198 -17.623 -46.459 44.253 1.00 52.14 C +ATOM 1866 ND1 HIS A 198 -17.987 -45.965 45.486 1.00 48.50 N +ATOM 1867 CD2 HIS A 198 -16.755 -47.469 44.494 1.00 54.10 C +ATOM 1868 CE1 HIS A 198 -17.365 -46.645 46.432 1.00 53.27 C +ATOM 1869 NE2 HIS A 198 -16.611 -47.564 45.855 1.00 56.27 N +ATOM 1870 H HIS A 198 -20.510 -45.433 41.060 1.00 15.00 H +ATOM 1871 HD1 HIS A 198 -18.520 -45.177 45.658 1.00 15.00 H +ATOM 1872 HE2 HIS A 198 -16.000 -48.209 46.288 1.00 15.00 H +ATOM 1873 N LYS A 199 -20.740 -47.491 44.229 1.00 56.24 N +ATOM 1874 CA LYS A 199 -21.749 -47.593 45.289 1.00 60.84 C +ATOM 1875 C LYS A 199 -22.130 -46.291 45.993 1.00 62.06 C +ATOM 1876 O LYS A 199 -23.304 -46.022 46.252 1.00 65.07 O +ATOM 1877 CB LYS A 199 -21.241 -48.600 46.325 1.00 72.10 C +ATOM 1878 CG LYS A 199 -22.222 -48.990 47.422 1.00 84.00 C +ATOM 1879 CD LYS A 199 -21.555 -49.930 48.431 1.00 89.60 C +ATOM 1880 CE LYS A 199 -22.560 -50.527 49.408 1.00 98.52 C +ATOM 1881 NZ LYS A 199 -23.305 -49.488 50.179 1.00106.04 N +ATOM 1882 H LYS A 199 -20.231 -48.302 44.023 1.00 15.00 H +ATOM 1883 HZ1 LYS A 199 -22.626 -48.892 50.696 1.00 15.00 H +ATOM 1884 HZ2 LYS A 199 -23.857 -48.896 49.526 1.00 15.00 H +ATOM 1885 HZ3 LYS A 199 -23.946 -49.954 50.851 1.00 15.00 H +ATOM 1886 N THR A 200 -21.120 -45.496 46.307 1.00 63.20 N +ATOM 1887 CA THR A 200 -21.302 -44.232 46.998 1.00 73.47 C +ATOM 1888 C THR A 200 -22.294 -43.271 46.349 1.00 79.64 C +ATOM 1889 O THR A 200 -23.024 -42.561 47.045 1.00 84.70 O +ATOM 1890 CB THR A 200 -19.949 -43.533 47.161 1.00 73.53 C +ATOM 1891 OG1 THR A 200 -19.219 -43.603 45.925 1.00 76.34 O +ATOM 1892 CG2 THR A 200 -19.146 -44.208 48.248 1.00 78.99 C +ATOM 1893 H THR A 200 -20.227 -45.756 46.049 1.00 15.00 H +ATOM 1894 HG1 THR A 200 -19.639 -42.971 45.321 1.00 15.00 H +ATOM 1895 N SER A 201 -22.299 -43.227 45.020 1.00 84.03 N +ATOM 1896 CA SER A 201 -23.199 -42.337 44.297 1.00 86.18 C +ATOM 1897 C SER A 201 -23.996 -43.074 43.235 1.00 83.67 C +ATOM 1898 O SER A 201 -23.541 -44.066 42.652 1.00 76.89 O +ATOM 1899 CB SER A 201 -22.437 -41.167 43.652 1.00 93.19 C +ATOM 1900 OG SER A 201 -23.327 -40.219 43.067 1.00 95.36 O +ATOM 1901 H SER A 201 -21.762 -43.828 44.476 1.00 15.00 H +ATOM 1902 HG SER A 201 -22.838 -39.694 42.418 1.00 15.00 H +ATOM 1903 N THR A 202 -25.202 -42.569 43.010 1.00 82.21 N +ATOM 1904 CA THR A 202 -26.122 -43.111 42.028 1.00 81.34 C +ATOM 1905 C THR A 202 -25.669 -42.644 40.655 1.00 80.82 C +ATOM 1906 O THR A 202 -25.551 -43.436 39.715 1.00 80.65 O +ATOM 1907 CB THR A 202 -27.537 -42.568 42.280 1.00 81.47 C +ATOM 1908 OG1 THR A 202 -27.450 -41.211 42.745 1.00 85.75 O +ATOM 1909 CG2 THR A 202 -28.252 -43.403 43.319 1.00 82.72 C +ATOM 1910 H THR A 202 -25.488 -41.770 43.500 1.00 15.00 H +ATOM 1911 HG1 THR A 202 -28.337 -40.843 42.833 1.00 15.00 H +ATOM 1912 N SER A 203 -25.427 -41.340 40.565 1.00 76.87 N +ATOM 1913 CA SER A 203 -24.987 -40.692 39.339 1.00 70.13 C +ATOM 1914 C SER A 203 -23.471 -40.827 39.226 1.00 62.08 C +ATOM 1915 O SER A 203 -22.744 -40.437 40.137 1.00 60.01 O +ATOM 1916 CB SER A 203 -25.367 -39.209 39.385 1.00 71.04 C +ATOM 1917 OG SER A 203 -26.662 -39.030 39.941 1.00 72.80 O +ATOM 1918 H SER A 203 -25.556 -40.778 41.359 1.00 15.00 H +ATOM 1919 HG SER A 203 -26.880 -38.096 39.932 1.00 15.00 H +ATOM 1920 N PRO A 204 -22.981 -41.394 38.113 1.00 56.16 N +ATOM 1921 CA PRO A 204 -21.559 -41.602 37.832 1.00 56.72 C +ATOM 1922 C PRO A 204 -20.721 -40.348 38.019 1.00 59.03 C +ATOM 1923 O PRO A 204 -21.062 -39.283 37.500 1.00 63.89 O +ATOM 1924 CB PRO A 204 -21.564 -42.015 36.364 1.00 53.10 C +ATOM 1925 CG PRO A 204 -22.809 -42.789 36.262 1.00 63.89 C +ATOM 1926 CD PRO A 204 -23.801 -41.926 37.014 1.00 62.42 C +ATOM 1927 N ILE A 205 -19.631 -40.478 38.770 1.00 58.02 N +ATOM 1928 CA ILE A 205 -18.729 -39.360 39.003 1.00 49.15 C +ATOM 1929 C ILE A 205 -17.941 -39.178 37.720 1.00 46.00 C +ATOM 1930 O ILE A 205 -17.294 -40.119 37.246 1.00 41.60 O +ATOM 1931 CB ILE A 205 -17.762 -39.634 40.172 1.00 52.17 C +ATOM 1932 CG1 ILE A 205 -18.512 -39.505 41.500 1.00 60.08 C +ATOM 1933 CG2 ILE A 205 -16.588 -38.673 40.125 1.00 56.44 C +ATOM 1934 CD1 ILE A 205 -17.633 -39.515 42.736 1.00 63.74 C +ATOM 1935 H ILE A 205 -19.411 -41.356 39.141 1.00 15.00 H +ATOM 1936 N VAL A 206 -18.023 -37.978 37.149 1.00 41.95 N +ATOM 1937 CA VAL A 206 -17.333 -37.673 35.899 1.00 37.29 C +ATOM 1938 C VAL A 206 -16.467 -36.421 35.920 1.00 34.27 C +ATOM 1939 O VAL A 206 -16.859 -35.382 36.450 1.00 42.22 O +ATOM 1940 CB VAL A 206 -18.328 -37.549 34.714 1.00 38.90 C +ATOM 1941 CG1 VAL A 206 -19.448 -36.552 35.044 1.00 33.55 C +ATOM 1942 CG2 VAL A 206 -17.590 -37.132 33.455 1.00 26.64 C +ATOM 1943 H VAL A 206 -18.560 -37.276 37.567 1.00 15.00 H +ATOM 1944 N LYS A 207 -15.280 -36.537 35.338 1.00 27.14 N +ATOM 1945 CA LYS A 207 -14.347 -35.424 35.236 1.00 33.84 C +ATOM 1946 C LYS A 207 -13.930 -35.453 33.781 1.00 43.15 C +ATOM 1947 O LYS A 207 -13.545 -36.506 33.255 1.00 41.19 O +ATOM 1948 CB LYS A 207 -13.136 -35.611 36.151 1.00 37.17 C +ATOM 1949 CG LYS A 207 -13.264 -34.947 37.524 1.00 33.70 C +ATOM 1950 CD LYS A 207 -12.550 -33.617 37.572 1.00 35.70 C +ATOM 1951 CE LYS A 207 -12.521 -33.062 38.986 1.00 44.64 C +ATOM 1952 NZ LYS A 207 -11.721 -31.800 39.048 1.00 53.76 N +ATOM 1953 H LYS A 207 -15.011 -37.405 34.955 1.00 15.00 H +ATOM 1954 HZ1 LYS A 207 -12.141 -31.099 38.405 1.00 15.00 H +ATOM 1955 HZ2 LYS A 207 -11.742 -31.426 40.018 1.00 15.00 H +ATOM 1956 HZ3 LYS A 207 -10.740 -31.988 38.762 1.00 15.00 H +ATOM 1957 N SER A 208 -14.035 -34.302 33.127 1.00 46.90 N +ATOM 1958 CA SER A 208 -13.732 -34.186 31.707 1.00 45.02 C +ATOM 1959 C SER A 208 -12.841 -32.993 31.430 1.00 45.05 C +ATOM 1960 O SER A 208 -12.759 -32.063 32.238 1.00 45.37 O +ATOM 1961 CB SER A 208 -15.057 -34.013 30.943 1.00 41.59 C +ATOM 1962 OG SER A 208 -14.871 -33.556 29.616 1.00 56.19 O +ATOM 1963 H SER A 208 -14.280 -33.473 33.587 1.00 15.00 H +ATOM 1964 HG SER A 208 -14.444 -34.287 29.149 1.00 15.00 H +ATOM 1965 N PHE A 209 -12.145 -33.038 30.302 1.00 42.78 N +ATOM 1966 CA PHE A 209 -11.306 -31.923 29.896 1.00 40.85 C +ATOM 1967 C PHE A 209 -11.305 -31.828 28.363 1.00 39.20 C +ATOM 1968 O PHE A 209 -11.450 -32.843 27.673 1.00 42.14 O +ATOM 1969 CB PHE A 209 -9.895 -32.025 30.502 1.00 28.54 C +ATOM 1970 CG PHE A 209 -8.968 -32.922 29.758 1.00 22.54 C +ATOM 1971 CD1 PHE A 209 -8.240 -32.443 28.670 1.00 19.06 C +ATOM 1972 CD2 PHE A 209 -8.813 -34.241 30.139 1.00 21.49 C +ATOM 1973 CE1 PHE A 209 -7.364 -33.274 27.963 1.00 24.56 C +ATOM 1974 CE2 PHE A 209 -7.948 -35.080 29.449 1.00 24.45 C +ATOM 1975 CZ PHE A 209 -7.219 -34.594 28.354 1.00 27.92 C +ATOM 1976 H PHE A 209 -12.190 -33.833 29.728 1.00 15.00 H +ATOM 1977 N ASN A 210 -11.277 -30.601 27.848 1.00 35.63 N +ATOM 1978 CA ASN A 210 -11.272 -30.358 26.402 1.00 43.30 C +ATOM 1979 C ASN A 210 -9.886 -29.886 25.952 1.00 42.82 C +ATOM 1980 O ASN A 210 -9.378 -28.887 26.458 1.00 51.09 O +ATOM 1981 CB ASN A 210 -12.293 -29.273 26.036 1.00 47.68 C +ATOM 1982 CG ASN A 210 -13.738 -29.689 26.286 1.00 55.92 C +ATOM 1983 OD1 ASN A 210 -14.663 -28.959 25.923 1.00 61.28 O +ATOM 1984 ND2 ASN A 210 -13.944 -30.847 26.905 1.00 65.11 N +ATOM 1985 H ASN A 210 -11.235 -29.823 28.439 1.00 15.00 H +ATOM 1986 HD21 ASN A 210 -14.891 -31.063 27.042 1.00 15.00 H +ATOM 1987 HD22 ASN A 210 -13.250 -31.463 27.193 1.00 15.00 H +ATOM 1988 N ARG A 211 -9.314 -30.574 24.969 1.00 36.82 N +ATOM 1989 CA ARG A 211 -7.992 -30.284 24.407 1.00 41.63 C +ATOM 1990 C ARG A 211 -7.896 -28.900 23.769 1.00 56.44 C +ATOM 1991 O ARG A 211 -6.814 -28.451 23.399 1.00 59.86 O +ATOM 1992 CB ARG A 211 -7.694 -31.349 23.345 1.00 33.41 C +ATOM 1993 CG ARG A 211 -6.364 -31.252 22.637 1.00 21.49 C +ATOM 1994 CD ARG A 211 -6.388 -32.125 21.392 1.00 39.18 C +ATOM 1995 NE ARG A 211 -7.312 -31.600 20.388 1.00 47.22 N +ATOM 1996 CZ ARG A 211 -7.012 -31.454 19.103 1.00 47.67 C +ATOM 1997 NH1 ARG A 211 -5.816 -31.803 18.650 1.00 43.15 N +ATOM 1998 NH2 ARG A 211 -7.892 -30.902 18.280 1.00 61.51 N +ATOM 1999 H ARG A 211 -9.807 -31.335 24.594 1.00 15.00 H +ATOM 2000 HE ARG A 211 -8.211 -31.340 20.675 1.00 15.00 H +ATOM 2001 HH11 ARG A 211 -5.130 -32.184 19.269 1.00 15.00 H +ATOM 2002 HH12 ARG A 211 -5.601 -31.690 17.679 1.00 15.00 H +ATOM 2003 HH21 ARG A 211 -8.779 -30.591 18.621 1.00 15.00 H +ATOM 2004 HH22 ARG A 211 -7.662 -30.789 17.314 1.00 15.00 H +ATOM 2005 N ASN A 212 -9.044 -28.243 23.623 1.00 80.42 N +ATOM 2006 CA ASN A 212 -9.152 -26.915 23.014 1.00 95.91 C +ATOM 2007 C ASN A 212 -8.245 -25.820 23.583 1.00106.98 C +ATOM 2008 O ASN A 212 -8.081 -24.774 22.954 1.00111.02 O +ATOM 2009 CB ASN A 212 -10.617 -26.433 23.060 1.00 96.89 C +ATOM 2010 CG ASN A 212 -11.145 -26.238 24.493 1.00 99.02 C +ATOM 2011 OD1 ASN A 212 -10.388 -25.952 25.425 1.00 92.97 O +ATOM 2012 ND2 ASN A 212 -12.455 -26.394 24.663 1.00 95.25 N +ATOM 2013 H ASN A 212 -9.858 -28.671 23.942 1.00 15.00 H +ATOM 2014 HD21 ASN A 212 -12.798 -26.265 25.572 1.00 15.00 H +ATOM 2015 HD22 ASN A 212 -13.028 -26.629 23.907 1.00 15.00 H +ATOM 2016 N GLU A 213 -7.701 -26.027 24.780 1.00117.88 N +ATOM 2017 CA GLU A 213 -6.822 -25.030 25.385 1.00127.80 C +ATOM 2018 C GLU A 213 -5.414 -25.558 25.669 1.00132.93 C +ATOM 2019 O GLU A 213 -4.424 -24.920 25.293 1.00133.26 O +ATOM 2020 CB GLU A 213 -7.446 -24.441 26.658 1.00130.26 C +ATOM 2021 CG GLU A 213 -6.601 -23.347 27.342 1.00136.68 C +ATOM 2022 CD GLU A 213 -6.364 -22.104 26.475 1.00138.98 C +ATOM 2023 OE1 GLU A 213 -5.474 -22.138 25.593 1.00136.57 O +ATOM 2024 OE2 GLU A 213 -7.049 -21.080 26.697 1.00141.02 O +ATOM 2025 H GLU A 213 -7.894 -26.854 25.264 1.00 15.00 H +ATOM 2026 N CYS A 214 -5.330 -26.713 26.325 1.00136.23 N +ATOM 2027 CA CYS A 214 -4.047 -27.327 26.666 1.00138.41 C +ATOM 2028 C CYS A 214 -3.989 -28.769 26.131 1.00142.06 C +ATOM 2029 O CYS A 214 -3.396 -28.979 25.046 1.00145.73 O +ATOM 2030 CB CYS A 214 -3.829 -27.305 28.199 1.00132.97 C +ATOM 2031 SG CYS A 214 -2.887 -25.901 28.930 1.00124.08 S +ATOM 2032 OXT CYS A 214 -4.546 -29.673 26.796 1.00143.51 O +ATOM 2033 H CYS A 214 -6.124 -27.225 26.558 1.00 15.00 H +TER 2034 CYS A 214 +ATOM 2035 N GLU B 1 18.637 -61.583 66.852 1.00118.48 N +ATOM 2036 CA GLU B 1 19.722 -62.606 66.868 1.00119.77 C +ATOM 2037 C GLU B 1 19.628 -63.429 65.597 1.00110.34 C +ATOM 2038 O GLU B 1 20.249 -63.089 64.592 1.00111.78 O +ATOM 2039 CB GLU B 1 19.603 -63.514 68.098 1.00132.86 C +ATOM 2040 CG GLU B 1 19.918 -62.830 69.427 1.00149.98 C +ATOM 2041 CD GLU B 1 19.903 -63.788 70.617 1.00158.82 C +ATOM 2042 OE1 GLU B 1 20.058 -65.014 70.417 1.00163.74 O +ATOM 2043 OE2 GLU B 1 19.743 -63.307 71.761 1.00162.47 O +ATOM 2044 H1 GLU B 1 17.722 -62.061 66.730 1.00 15.00 H +ATOM 2045 H2 GLU B 1 18.651 -60.992 67.702 1.00 15.00 H +ATOM 2046 H3 GLU B 1 18.813 -61.015 65.995 1.00 15.00 H +ATOM 2047 N VAL B 2 18.842 -64.501 65.646 1.00 99.19 N +ATOM 2048 CA VAL B 2 18.642 -65.363 64.490 1.00 88.75 C +ATOM 2049 C VAL B 2 18.149 -64.505 63.330 1.00 83.22 C +ATOM 2050 O VAL B 2 17.129 -63.818 63.435 1.00 83.30 O +ATOM 2051 CB VAL B 2 17.628 -66.501 64.803 1.00 88.57 C +ATOM 2052 CG1 VAL B 2 16.386 -65.943 65.493 1.00 89.60 C +ATOM 2053 CG2 VAL B 2 17.245 -67.239 63.531 1.00 81.63 C +ATOM 2054 H VAL B 2 18.379 -64.787 66.454 1.00 15.00 H +ATOM 2055 N LYS B 3 18.927 -64.474 62.261 1.00 75.94 N +ATOM 2056 CA LYS B 3 18.564 -63.689 61.104 1.00 74.09 C +ATOM 2057 C LYS B 3 19.160 -64.359 59.883 1.00 69.85 C +ATOM 2058 O LYS B 3 20.297 -64.839 59.916 1.00 62.23 O +ATOM 2059 CB LYS B 3 19.083 -62.259 61.256 1.00 79.97 C +ATOM 2060 CG LYS B 3 18.369 -61.238 60.377 1.00 95.52 C +ATOM 2061 CD LYS B 3 16.864 -61.184 60.661 1.00102.07 C +ATOM 2062 CE LYS B 3 16.173 -60.062 59.879 1.00106.19 C +ATOM 2063 NZ LYS B 3 16.580 -58.688 60.322 1.00107.33 N +ATOM 2064 H LYS B 3 19.769 -64.981 62.243 1.00 15.00 H +ATOM 2065 HZ1 LYS B 3 17.610 -58.578 60.220 1.00 15.00 H +ATOM 2066 HZ2 LYS B 3 16.101 -57.979 59.731 1.00 15.00 H +ATOM 2067 HZ3 LYS B 3 16.314 -58.543 61.316 1.00 15.00 H +ATOM 2068 N LEU B 4 18.361 -64.443 58.826 1.00 68.48 N +ATOM 2069 CA LEU B 4 18.790 -65.071 57.586 1.00 63.57 C +ATOM 2070 C LEU B 4 18.898 -64.006 56.510 1.00 60.73 C +ATOM 2071 O LEU B 4 17.932 -63.289 56.233 1.00 62.75 O +ATOM 2072 CB LEU B 4 17.779 -66.137 57.170 1.00 60.86 C +ATOM 2073 CG LEU B 4 17.353 -67.103 58.275 1.00 44.77 C +ATOM 2074 CD1 LEU B 4 16.386 -68.114 57.721 1.00 52.17 C +ATOM 2075 CD2 LEU B 4 18.568 -67.804 58.822 1.00 49.60 C +ATOM 2076 H LEU B 4 17.466 -64.046 58.854 1.00 15.00 H +ATOM 2077 N GLN B 5 20.071 -63.892 55.908 1.00 57.53 N +ATOM 2078 CA GLN B 5 20.278 -62.896 54.879 1.00 60.08 C +ATOM 2079 C GLN B 5 20.737 -63.474 53.561 1.00 57.87 C +ATOM 2080 O GLN B 5 21.932 -63.468 53.252 1.00 57.38 O +ATOM 2081 CB GLN B 5 21.267 -61.835 55.357 1.00 66.66 C +ATOM 2082 CG GLN B 5 20.789 -61.047 56.569 1.00 84.01 C +ATOM 2083 CD GLN B 5 19.418 -60.410 56.364 1.00 97.39 C +ATOM 2084 OE1 GLN B 5 18.613 -60.337 57.293 1.00 98.77 O +ATOM 2085 NE2 GLN B 5 19.150 -59.941 55.145 1.00102.40 N +ATOM 2086 H GLN B 5 20.801 -64.456 56.164 1.00 15.00 H +ATOM 2087 HE21 GLN B 5 18.271 -59.537 55.041 1.00 15.00 H +ATOM 2088 HE22 GLN B 5 19.816 -60.004 54.433 1.00 15.00 H +ATOM 2089 N GLU B 6 19.802 -64.063 52.823 1.00 54.06 N +ATOM 2090 CA GLU B 6 20.130 -64.599 51.511 1.00 46.09 C +ATOM 2091 C GLU B 6 20.308 -63.379 50.635 1.00 43.90 C +ATOM 2092 O GLU B 6 19.710 -62.331 50.899 1.00 38.91 O +ATOM 2093 CB GLU B 6 19.031 -65.518 50.955 1.00 38.03 C +ATOM 2094 CG GLU B 6 17.703 -64.863 50.645 1.00 28.26 C +ATOM 2095 CD GLU B 6 16.938 -64.464 51.885 1.00 27.50 C +ATOM 2096 OE1 GLU B 6 17.266 -63.406 52.463 1.00 22.39 O +ATOM 2097 OE2 GLU B 6 16.004 -65.200 52.273 1.00 18.38 O +ATOM 2098 H GLU B 6 18.922 -64.167 53.213 1.00 15.00 H +ATOM 2099 N SER B 7 21.208 -63.488 49.671 1.00 50.79 N +ATOM 2100 CA SER B 7 21.503 -62.401 48.752 1.00 59.28 C +ATOM 2101 C SER B 7 22.140 -62.944 47.478 1.00 60.88 C +ATOM 2102 O SER B 7 22.574 -64.102 47.421 1.00 55.57 O +ATOM 2103 CB SER B 7 22.404 -61.356 49.417 1.00 64.59 C +ATOM 2104 OG SER B 7 23.420 -61.970 50.197 1.00 83.34 O +ATOM 2105 H SER B 7 21.709 -64.319 49.536 1.00 15.00 H +ATOM 2106 HG SER B 7 23.008 -62.363 50.977 1.00 15.00 H +ATOM 2107 N GLY B 8 22.218 -62.088 46.468 1.00 64.71 N +ATOM 2108 CA GLY B 8 22.762 -62.492 45.187 1.00 62.65 C +ATOM 2109 C GLY B 8 21.569 -62.549 44.255 1.00 59.87 C +ATOM 2110 O GLY B 8 20.444 -62.272 44.682 1.00 63.33 O +ATOM 2111 H GLY B 8 21.838 -61.193 46.550 1.00 15.00 H +ATOM 2112 N GLY B 9 21.791 -62.909 42.999 1.00 51.24 N +ATOM 2113 CA GLY B 9 20.685 -62.963 42.067 1.00 46.96 C +ATOM 2114 C GLY B 9 20.099 -61.604 41.705 1.00 51.16 C +ATOM 2115 O GLY B 9 19.721 -60.800 42.561 1.00 41.82 O +ATOM 2116 H GLY B 9 22.696 -63.140 42.718 1.00 15.00 H +ATOM 2117 N GLY B 10 20.070 -61.336 40.410 1.00 54.27 N +ATOM 2118 CA GLY B 10 19.510 -60.095 39.915 1.00 63.89 C +ATOM 2119 C GLY B 10 18.614 -60.520 38.771 1.00 65.40 C +ATOM 2120 O GLY B 10 17.577 -61.150 38.994 1.00 67.81 O +ATOM 2121 H GLY B 10 20.384 -62.003 39.771 1.00 15.00 H +ATOM 2122 N LEU B 11 19.040 -60.228 37.545 1.00 60.23 N +ATOM 2123 CA LEU B 11 18.284 -60.611 36.358 1.00 51.37 C +ATOM 2124 C LEU B 11 19.164 -61.443 35.447 1.00 49.92 C +ATOM 2125 O LEU B 11 20.361 -61.178 35.313 1.00 53.09 O +ATOM 2126 CB LEU B 11 17.769 -59.390 35.590 1.00 47.67 C +ATOM 2127 CG LEU B 11 17.050 -59.708 34.266 1.00 43.23 C +ATOM 2128 CD1 LEU B 11 15.852 -58.801 34.087 1.00 42.27 C +ATOM 2129 CD2 LEU B 11 18.007 -59.589 33.079 1.00 48.36 C +ATOM 2130 H LEU B 11 19.895 -59.773 37.403 1.00 15.00 H +ATOM 2131 N VAL B 12 18.552 -62.431 34.807 1.00 41.09 N +ATOM 2132 CA VAL B 12 19.253 -63.306 33.899 1.00 40.29 C +ATOM 2133 C VAL B 12 18.245 -63.776 32.873 1.00 40.93 C +ATOM 2134 O VAL B 12 17.048 -63.846 33.153 1.00 42.59 O +ATOM 2135 CB VAL B 12 19.842 -64.507 34.639 1.00 46.62 C +ATOM 2136 CG1 VAL B 12 18.738 -65.390 35.183 1.00 47.98 C +ATOM 2137 CG2 VAL B 12 20.775 -65.283 33.726 1.00 58.29 C +ATOM 2138 H VAL B 12 17.585 -62.583 34.923 1.00 15.00 H +ATOM 2139 N GLN B 13 18.728 -64.039 31.669 1.00 42.61 N +ATOM 2140 CA GLN B 13 17.882 -64.483 30.575 1.00 45.51 C +ATOM 2141 C GLN B 13 17.671 -65.974 30.711 1.00 39.21 C +ATOM 2142 O GLN B 13 18.359 -66.624 31.491 1.00 43.27 O +ATOM 2143 CB GLN B 13 18.561 -64.163 29.234 1.00 59.23 C +ATOM 2144 CG GLN B 13 19.593 -65.189 28.750 1.00 73.97 C +ATOM 2145 CD GLN B 13 20.701 -65.480 29.760 1.00 82.22 C +ATOM 2146 OE1 GLN B 13 21.167 -64.589 30.480 1.00 86.91 O +ATOM 2147 NE2 GLN B 13 21.120 -66.738 29.822 1.00 79.63 N +ATOM 2148 H GLN B 13 19.690 -63.933 31.520 1.00 15.00 H +ATOM 2149 HE21 GLN B 13 21.844 -66.944 30.441 1.00 15.00 H +ATOM 2150 HE22 GLN B 13 20.677 -67.398 29.241 1.00 15.00 H +ATOM 2151 N PRO B 14 16.702 -66.536 29.974 1.00 35.30 N +ATOM 2152 CA PRO B 14 16.443 -67.976 30.044 1.00 27.80 C +ATOM 2153 C PRO B 14 17.704 -68.808 29.805 1.00 27.80 C +ATOM 2154 O PRO B 14 18.734 -68.276 29.394 1.00 28.86 O +ATOM 2155 CB PRO B 14 15.421 -68.172 28.934 1.00 25.32 C +ATOM 2156 CG PRO B 14 14.611 -66.929 29.035 1.00 19.34 C +ATOM 2157 CD PRO B 14 15.666 -65.860 29.171 1.00 24.72 C +ATOM 2158 N GLY B 15 17.636 -70.096 30.132 1.00 37.87 N +ATOM 2159 CA GLY B 15 18.761 -71.003 29.938 1.00 38.62 C +ATOM 2160 C GLY B 15 20.004 -70.688 30.750 1.00 41.11 C +ATOM 2161 O GLY B 15 20.931 -71.501 30.812 1.00 41.94 O +ATOM 2162 H GLY B 15 16.816 -70.460 30.530 1.00 15.00 H +ATOM 2163 N GLY B 16 20.025 -69.516 31.377 1.00 38.01 N +ATOM 2164 CA GLY B 16 21.168 -69.111 32.169 1.00 41.32 C +ATOM 2165 C GLY B 16 21.223 -69.771 33.527 1.00 46.56 C +ATOM 2166 O GLY B 16 20.363 -70.595 33.870 1.00 48.73 O +ATOM 2167 H GLY B 16 19.287 -68.882 31.350 1.00 15.00 H +ATOM 2168 N SER B 17 22.197 -69.344 34.324 1.00 47.96 N +ATOM 2169 CA SER B 17 22.421 -69.887 35.660 1.00 49.00 C +ATOM 2170 C SER B 17 22.641 -68.754 36.667 1.00 49.96 C +ATOM 2171 O SER B 17 22.957 -67.632 36.274 1.00 55.83 O +ATOM 2172 CB SER B 17 23.654 -70.797 35.631 1.00 48.63 C +ATOM 2173 OG SER B 17 23.633 -71.663 34.502 1.00 40.86 O +ATOM 2174 H SER B 17 22.783 -68.618 34.040 1.00 15.00 H +ATOM 2175 HG SER B 17 24.466 -72.140 34.454 1.00 15.00 H +ATOM 2176 N LEU B 18 22.471 -69.048 37.955 1.00 47.31 N +ATOM 2177 CA LEU B 18 22.664 -68.058 39.015 1.00 48.10 C +ATOM 2178 C LEU B 18 22.869 -68.797 40.347 1.00 52.00 C +ATOM 2179 O LEU B 18 22.258 -69.843 40.587 1.00 56.67 O +ATOM 2180 CB LEU B 18 21.467 -67.099 39.064 1.00 52.14 C +ATOM 2181 CG LEU B 18 21.477 -65.773 39.843 1.00 53.21 C +ATOM 2182 CD1 LEU B 18 22.763 -64.996 39.654 1.00 57.78 C +ATOM 2183 CD2 LEU B 18 20.307 -64.939 39.372 1.00 51.53 C +ATOM 2184 H LEU B 18 22.192 -69.958 38.216 1.00 15.00 H +ATOM 2185 N LYS B 19 23.770 -68.286 41.181 1.00 48.31 N +ATOM 2186 CA LYS B 19 24.096 -68.911 42.460 1.00 48.43 C +ATOM 2187 C LYS B 19 23.553 -68.083 43.610 1.00 47.22 C +ATOM 2188 O LYS B 19 23.965 -66.941 43.812 1.00 45.69 O +ATOM 2189 CB LYS B 19 25.617 -69.050 42.575 1.00 62.64 C +ATOM 2190 CG LYS B 19 26.149 -69.873 43.746 1.00 73.76 C +ATOM 2191 CD LYS B 19 27.669 -70.039 43.599 1.00 87.83 C +ATOM 2192 CE LYS B 19 28.287 -70.930 44.671 1.00 93.13 C +ATOM 2193 NZ LYS B 19 29.746 -71.159 44.427 1.00 95.60 N +ATOM 2194 H LYS B 19 24.216 -67.445 40.961 1.00 15.00 H +ATOM 2195 HZ1 LYS B 19 30.243 -70.247 44.413 1.00 15.00 H +ATOM 2196 HZ2 LYS B 19 30.141 -71.759 45.180 1.00 15.00 H +ATOM 2197 HZ3 LYS B 19 29.864 -71.635 43.510 1.00 15.00 H +ATOM 2198 N LEU B 20 22.629 -68.672 44.362 1.00 47.92 N +ATOM 2199 CA LEU B 20 21.992 -68.006 45.493 1.00 40.78 C +ATOM 2200 C LEU B 20 22.611 -68.369 46.851 1.00 37.70 C +ATOM 2201 O LEU B 20 22.623 -69.535 47.251 1.00 43.79 O +ATOM 2202 CB LEU B 20 20.493 -68.317 45.485 1.00 32.29 C +ATOM 2203 CG LEU B 20 19.748 -67.875 44.227 1.00 32.30 C +ATOM 2204 CD1 LEU B 20 18.287 -68.260 44.310 1.00 32.02 C +ATOM 2205 CD2 LEU B 20 19.897 -66.376 44.064 1.00 29.36 C +ATOM 2206 H LEU B 20 22.376 -69.595 44.156 1.00 15.00 H +ATOM 2207 N SER B 21 23.100 -67.355 47.558 1.00 32.52 N +ATOM 2208 CA SER B 21 23.723 -67.534 48.860 1.00 29.83 C +ATOM 2209 C SER B 21 22.760 -67.115 49.966 1.00 30.54 C +ATOM 2210 O SER B 21 21.958 -66.204 49.781 1.00 27.28 O +ATOM 2211 CB SER B 21 25.011 -66.702 48.935 1.00 37.33 C +ATOM 2212 OG SER B 21 25.874 -66.990 47.840 1.00 22.12 O +ATOM 2213 H SER B 21 23.007 -66.439 47.221 1.00 15.00 H +ATOM 2214 HG SER B 21 25.434 -66.740 47.020 1.00 15.00 H +ATOM 2215 N CYS B 22 22.824 -67.797 51.103 1.00 33.57 N +ATOM 2216 CA CYS B 22 21.959 -67.495 52.236 1.00 42.80 C +ATOM 2217 C CYS B 22 22.831 -67.443 53.461 1.00 49.40 C +ATOM 2218 O CYS B 22 23.443 -68.438 53.828 1.00 49.68 O +ATOM 2219 CB CYS B 22 20.875 -68.570 52.424 1.00 38.75 C +ATOM 2220 SG CYS B 22 19.945 -68.484 54.001 1.00 42.23 S +ATOM 2221 H CYS B 22 23.481 -68.513 51.203 1.00 15.00 H +ATOM 2222 N ALA B 23 22.919 -66.267 54.066 1.00 57.61 N +ATOM 2223 CA ALA B 23 23.724 -66.083 55.259 1.00 60.51 C +ATOM 2224 C ALA B 23 22.909 -66.312 56.536 1.00 66.20 C +ATOM 2225 O ALA B 23 21.861 -65.694 56.741 1.00 66.25 O +ATOM 2226 CB ALA B 23 24.321 -64.695 55.258 1.00 61.80 C +ATOM 2227 H ALA B 23 22.432 -65.493 53.717 1.00 15.00 H +ATOM 2228 N THR B 24 23.390 -67.212 57.386 1.00 66.06 N +ATOM 2229 CA THR B 24 22.721 -67.519 58.640 1.00 62.49 C +ATOM 2230 C THR B 24 23.556 -67.015 59.805 1.00 63.82 C +ATOM 2231 O THR B 24 24.786 -67.138 59.797 1.00 51.15 O +ATOM 2232 CB THR B 24 22.488 -69.037 58.805 1.00 64.91 C +ATOM 2233 OG1 THR B 24 23.722 -69.750 58.637 1.00 62.52 O +ATOM 2234 CG2 THR B 24 21.487 -69.528 57.785 1.00 65.00 C +ATOM 2235 H THR B 24 24.232 -67.661 57.186 1.00 15.00 H +ATOM 2236 HG1 THR B 24 24.431 -69.100 58.517 1.00 15.00 H +ATOM 2237 N SER B 25 22.877 -66.452 60.802 1.00 69.78 N +ATOM 2238 CA SER B 25 23.519 -65.920 62.001 1.00 68.14 C +ATOM 2239 C SER B 25 22.583 -66.043 63.195 1.00 69.92 C +ATOM 2240 O SER B 25 21.363 -65.966 63.045 1.00 74.13 O +ATOM 2241 CB SER B 25 23.873 -64.449 61.797 1.00 58.93 C +ATOM 2242 OG SER B 25 24.799 -64.298 60.738 1.00 62.74 O +ATOM 2243 H SER B 25 21.902 -66.346 60.738 1.00 15.00 H +ATOM 2244 HG SER B 25 24.808 -63.375 60.472 1.00 15.00 H +ATOM 2245 N GLY B 26 23.156 -66.281 64.372 1.00 73.92 N +ATOM 2246 CA GLY B 26 22.359 -66.387 65.585 1.00 70.83 C +ATOM 2247 C GLY B 26 22.032 -67.771 66.128 1.00 68.48 C +ATOM 2248 O GLY B 26 21.364 -67.878 67.159 1.00 72.26 O +ATOM 2249 H GLY B 26 24.126 -66.387 64.424 1.00 15.00 H +ATOM 2250 N PHE B 27 22.510 -68.825 65.475 1.00 58.57 N +ATOM 2251 CA PHE B 27 22.222 -70.177 65.935 1.00 53.90 C +ATOM 2252 C PHE B 27 23.266 -71.169 65.474 1.00 59.34 C +ATOM 2253 O PHE B 27 24.061 -70.871 64.587 1.00 64.66 O +ATOM 2254 CB PHE B 27 20.842 -70.622 65.435 1.00 49.87 C +ATOM 2255 CG PHE B 27 20.626 -70.438 63.941 1.00 45.88 C +ATOM 2256 CD1 PHE B 27 21.085 -71.391 63.024 1.00 42.75 C +ATOM 2257 CD2 PHE B 27 19.919 -69.333 63.461 1.00 30.07 C +ATOM 2258 CE1 PHE B 27 20.843 -71.252 61.657 1.00 25.75 C +ATOM 2259 CE2 PHE B 27 19.672 -69.183 62.108 1.00 16.58 C +ATOM 2260 CZ PHE B 27 20.138 -70.152 61.199 1.00 27.80 C +ATOM 2261 H PHE B 27 23.068 -68.727 64.679 1.00 15.00 H +ATOM 2262 N THR B 28 23.272 -72.345 66.087 1.00 65.95 N +ATOM 2263 CA THR B 28 24.207 -73.395 65.702 1.00 71.51 C +ATOM 2264 C THR B 28 23.712 -73.920 64.348 1.00 69.42 C +ATOM 2265 O THR B 28 23.097 -74.986 64.259 1.00 69.90 O +ATOM 2266 CB THR B 28 24.216 -74.543 66.743 1.00 74.17 C +ATOM 2267 OG1 THR B 28 24.127 -73.992 68.065 1.00 76.77 O +ATOM 2268 CG2 THR B 28 25.502 -75.359 66.626 1.00 72.26 C +ATOM 2269 H THR B 28 22.675 -72.525 66.842 1.00 15.00 H +ATOM 2270 HG1 THR B 28 24.169 -74.708 68.709 1.00 15.00 H +ATOM 2271 N PHE B 29 23.957 -73.136 63.304 1.00 61.90 N +ATOM 2272 CA PHE B 29 23.537 -73.464 61.948 1.00 60.62 C +ATOM 2273 C PHE B 29 23.806 -74.920 61.589 1.00 59.72 C +ATOM 2274 O PHE B 29 22.981 -75.567 60.948 1.00 57.30 O +ATOM 2275 CB PHE B 29 24.227 -72.510 60.954 1.00 59.50 C +ATOM 2276 CG PHE B 29 24.024 -72.868 59.501 1.00 48.44 C +ATOM 2277 CD1 PHE B 29 22.830 -72.583 58.861 1.00 52.56 C +ATOM 2278 CD2 PHE B 29 25.035 -73.488 58.780 1.00 44.93 C +ATOM 2279 CE1 PHE B 29 22.647 -72.911 57.525 1.00 52.38 C +ATOM 2280 CE2 PHE B 29 24.864 -73.820 57.451 1.00 46.75 C +ATOM 2281 CZ PHE B 29 23.668 -73.532 56.819 1.00 52.69 C +ATOM 2282 H PHE B 29 24.457 -72.304 63.437 1.00 15.00 H +ATOM 2283 N SER B 30 24.918 -75.448 62.085 1.00 55.30 N +ATOM 2284 CA SER B 30 25.326 -76.818 61.809 1.00 51.39 C +ATOM 2285 C SER B 30 24.411 -77.919 62.333 1.00 49.95 C +ATOM 2286 O SER B 30 24.696 -79.098 62.111 1.00 46.46 O +ATOM 2287 CB SER B 30 26.743 -77.036 62.339 1.00 51.12 C +ATOM 2288 OG SER B 30 26.925 -76.393 63.592 1.00 53.06 O +ATOM 2289 H SER B 30 25.494 -74.928 62.683 1.00 15.00 H +ATOM 2290 HG SER B 30 27.784 -76.653 63.945 1.00 15.00 H +ATOM 2291 N ASP B 31 23.327 -77.541 63.014 1.00 52.68 N +ATOM 2292 CA ASP B 31 22.392 -78.513 63.589 1.00 62.71 C +ATOM 2293 C ASP B 31 20.969 -78.505 63.010 1.00 63.58 C +ATOM 2294 O ASP B 31 20.125 -79.313 63.423 1.00 65.90 O +ATOM 2295 CB ASP B 31 22.311 -78.350 65.122 1.00 73.45 C +ATOM 2296 CG ASP B 31 23.574 -78.829 65.849 1.00 79.90 C +ATOM 2297 OD1 ASP B 31 24.211 -79.813 65.404 1.00 82.36 O +ATOM 2298 OD2 ASP B 31 23.916 -78.226 66.892 1.00 86.58 O +ATOM 2299 H ASP B 31 23.126 -76.597 63.138 1.00 15.00 H +ATOM 2300 N TYR B 32 20.704 -77.625 62.047 1.00 63.47 N +ATOM 2301 CA TYR B 32 19.368 -77.530 61.443 1.00 58.77 C +ATOM 2302 C TYR B 32 19.285 -77.985 59.978 1.00 60.93 C +ATOM 2303 O TYR B 32 20.298 -78.119 59.294 1.00 63.89 O +ATOM 2304 CB TYR B 32 18.854 -76.092 61.522 1.00 50.44 C +ATOM 2305 CG TYR B 32 18.799 -75.507 62.907 1.00 49.92 C +ATOM 2306 CD1 TYR B 32 19.926 -74.928 63.485 1.00 54.44 C +ATOM 2307 CD2 TYR B 32 17.607 -75.480 63.621 1.00 55.28 C +ATOM 2308 CE1 TYR B 32 19.864 -74.330 64.736 1.00 56.42 C +ATOM 2309 CE2 TYR B 32 17.532 -74.884 64.874 1.00 57.16 C +ATOM 2310 CZ TYR B 32 18.662 -74.305 65.424 1.00 56.89 C +ATOM 2311 OH TYR B 32 18.572 -73.663 66.639 1.00 62.09 O +ATOM 2312 H TYR B 32 21.432 -77.074 61.686 1.00 15.00 H +ATOM 2313 HH TYR B 32 19.424 -73.297 66.881 1.00 15.00 H +ATOM 2314 N TYR B 33 18.065 -78.238 59.514 1.00 59.40 N +ATOM 2315 CA TYR B 33 17.823 -78.634 58.130 1.00 55.02 C +ATOM 2316 C TYR B 33 17.325 -77.350 57.499 1.00 52.32 C +ATOM 2317 O TYR B 33 16.566 -76.610 58.133 1.00 51.93 O +ATOM 2318 CB TYR B 33 16.741 -79.704 58.063 1.00 57.10 C +ATOM 2319 CG TYR B 33 17.056 -80.882 58.934 1.00 72.50 C +ATOM 2320 CD1 TYR B 33 16.846 -80.826 60.314 1.00 79.63 C +ATOM 2321 CD2 TYR B 33 17.625 -82.029 58.398 1.00 77.12 C +ATOM 2322 CE1 TYR B 33 17.207 -81.884 61.139 1.00 90.19 C +ATOM 2323 CE2 TYR B 33 17.991 -83.096 59.211 1.00 88.89 C +ATOM 2324 CZ TYR B 33 17.785 -83.017 60.582 1.00 91.62 C +ATOM 2325 OH TYR B 33 18.197 -84.054 61.393 1.00 95.43 O +ATOM 2326 H TYR B 33 17.305 -78.104 60.112 1.00 15.00 H +ATOM 2327 HH TYR B 33 17.895 -83.901 62.296 1.00 15.00 H +ATOM 2328 N MET B 34 17.760 -77.060 56.278 1.00 47.84 N +ATOM 2329 CA MET B 34 17.339 -75.827 55.626 1.00 43.59 C +ATOM 2330 C MET B 34 16.486 -75.978 54.362 1.00 44.25 C +ATOM 2331 O MET B 34 16.602 -76.952 53.602 1.00 37.23 O +ATOM 2332 CB MET B 34 18.546 -74.936 55.365 1.00 42.10 C +ATOM 2333 CG MET B 34 19.335 -74.601 56.619 1.00 31.64 C +ATOM 2334 SD MET B 34 18.434 -73.589 57.787 1.00 31.70 S +ATOM 2335 CE MET B 34 18.935 -71.966 57.227 1.00 11.24 C +ATOM 2336 H MET B 34 18.350 -77.690 55.812 1.00 15.00 H +ATOM 2337 N TYR B 35 15.616 -74.995 54.165 1.00 40.63 N +ATOM 2338 CA TYR B 35 14.708 -74.972 53.041 1.00 33.13 C +ATOM 2339 C TYR B 35 14.914 -73.758 52.175 1.00 29.39 C +ATOM 2340 O TYR B 35 15.368 -72.707 52.638 1.00 25.52 O +ATOM 2341 CB TYR B 35 13.280 -74.932 53.550 1.00 34.74 C +ATOM 2342 CG TYR B 35 12.889 -76.133 54.355 1.00 39.58 C +ATOM 2343 CD1 TYR B 35 13.311 -77.405 53.977 1.00 42.72 C +ATOM 2344 CD2 TYR B 35 12.054 -76.014 55.471 1.00 38.62 C +ATOM 2345 CE1 TYR B 35 12.908 -78.540 54.683 1.00 44.70 C +ATOM 2346 CE2 TYR B 35 11.640 -77.148 56.191 1.00 38.97 C +ATOM 2347 CZ TYR B 35 12.075 -78.410 55.785 1.00 40.40 C +ATOM 2348 OH TYR B 35 11.690 -79.551 56.459 1.00 39.74 O +ATOM 2349 H TYR B 35 15.607 -74.234 54.782 1.00 15.00 H +ATOM 2350 HH TYR B 35 11.965 -80.304 55.911 1.00 15.00 H +ATOM 2351 N TRP B 36 14.582 -73.918 50.906 1.00 25.91 N +ATOM 2352 CA TRP B 36 14.650 -72.825 49.959 1.00 22.83 C +ATOM 2353 C TRP B 36 13.214 -72.747 49.475 1.00 20.27 C +ATOM 2354 O TRP B 36 12.644 -73.748 49.031 1.00 21.81 O +ATOM 2355 CB TRP B 36 15.574 -73.162 48.802 1.00 14.55 C +ATOM 2356 CG TRP B 36 16.959 -72.604 48.918 1.00 21.68 C +ATOM 2357 CD1 TRP B 36 18.125 -73.295 48.785 1.00 28.34 C +ATOM 2358 CD2 TRP B 36 17.333 -71.227 49.098 1.00 20.97 C +ATOM 2359 NE1 TRP B 36 19.198 -72.440 48.858 1.00 27.75 N +ATOM 2360 CE2 TRP B 36 18.742 -71.165 49.044 1.00 12.35 C +ATOM 2361 CE3 TRP B 36 16.617 -70.041 49.291 1.00 20.97 C +ATOM 2362 CZ2 TRP B 36 19.444 -69.972 49.173 1.00 16.39 C +ATOM 2363 CZ3 TRP B 36 17.321 -68.845 49.420 1.00 6.66 C +ATOM 2364 CH2 TRP B 36 18.717 -68.822 49.361 1.00 6.42 C +ATOM 2365 H TRP B 36 14.242 -74.779 50.605 1.00 15.00 H +ATOM 2366 HE1 TRP B 36 20.124 -72.737 48.826 1.00 15.00 H +ATOM 2367 N VAL B 37 12.588 -71.604 49.682 1.00 9.12 N +ATOM 2368 CA VAL B 37 11.210 -71.421 49.253 1.00 15.56 C +ATOM 2369 C VAL B 37 11.107 -70.231 48.302 1.00 14.30 C +ATOM 2370 O VAL B 37 11.818 -69.232 48.461 1.00 16.52 O +ATOM 2371 CB VAL B 37 10.286 -71.170 50.457 1.00 16.39 C +ATOM 2372 CG1 VAL B 37 8.842 -71.056 50.001 1.00 2.00 C +ATOM 2373 CG2 VAL B 37 10.445 -72.280 51.475 1.00 26.03 C +ATOM 2374 H VAL B 37 13.045 -70.855 50.103 1.00 15.00 H +ATOM 2375 N ARG B 38 10.244 -70.335 47.301 1.00 7.22 N +ATOM 2376 CA ARG B 38 10.074 -69.234 46.364 1.00 14.11 C +ATOM 2377 C ARG B 38 8.622 -68.837 46.295 1.00 12.24 C +ATOM 2378 O ARG B 38 7.738 -69.695 46.361 1.00 22.32 O +ATOM 2379 CB ARG B 38 10.574 -69.593 44.961 1.00 7.52 C +ATOM 2380 CG ARG B 38 9.731 -70.593 44.191 1.00 2.00 C +ATOM 2381 CD ARG B 38 10.359 -70.828 42.821 1.00 4.90 C +ATOM 2382 NE ARG B 38 9.669 -71.836 42.015 1.00 2.00 N +ATOM 2383 CZ ARG B 38 10.193 -72.399 40.924 1.00 14.68 C +ATOM 2384 NH1 ARG B 38 11.405 -72.050 40.495 1.00 2.00 N +ATOM 2385 NH2 ARG B 38 9.529 -73.348 40.277 1.00 17.39 N +ATOM 2386 H ARG B 38 9.689 -71.129 47.190 1.00 15.00 H +ATOM 2387 HE ARG B 38 8.782 -72.083 42.323 1.00 15.00 H +ATOM 2388 HH11 ARG B 38 11.947 -71.372 40.990 1.00 15.00 H +ATOM 2389 HH12 ARG B 38 11.793 -72.494 39.692 1.00 15.00 H +ATOM 2390 HH21 ARG B 38 8.632 -73.645 40.609 1.00 15.00 H +ATOM 2391 HH22 ARG B 38 9.925 -73.773 39.464 1.00 15.00 H +ATOM 2392 N GLN B 39 8.388 -67.533 46.194 1.00 11.01 N +ATOM 2393 CA GLN B 39 7.041 -66.961 46.086 1.00 8.44 C +ATOM 2394 C GLN B 39 7.018 -66.208 44.750 1.00 15.99 C +ATOM 2395 O GLN B 39 7.817 -65.277 44.550 1.00 13.17 O +ATOM 2396 CB GLN B 39 6.779 -65.991 47.240 1.00 2.00 C +ATOM 2397 CG GLN B 39 5.379 -65.418 47.241 1.00 2.00 C +ATOM 2398 CD GLN B 39 5.119 -64.492 48.410 1.00 6.08 C +ATOM 2399 OE1 GLN B 39 5.925 -63.591 48.720 1.00 4.39 O +ATOM 2400 NE2 GLN B 39 3.996 -64.713 49.084 1.00 5.41 N +ATOM 2401 H GLN B 39 9.160 -66.930 46.154 1.00 15.00 H +ATOM 2402 HE21 GLN B 39 3.740 -64.139 49.826 1.00 15.00 H +ATOM 2403 HE22 GLN B 39 3.419 -65.452 48.807 1.00 15.00 H +ATOM 2404 N THR B 40 6.157 -66.630 43.821 1.00 18.78 N +ATOM 2405 CA THR B 40 6.082 -65.995 42.498 1.00 18.53 C +ATOM 2406 C THR B 40 5.406 -64.635 42.579 1.00 26.33 C +ATOM 2407 O THR B 40 4.744 -64.331 43.571 1.00 29.33 O +ATOM 2408 CB THR B 40 5.328 -66.871 41.491 1.00 16.54 C +ATOM 2409 OG1 THR B 40 4.004 -67.107 41.976 1.00 9.18 O +ATOM 2410 CG2 THR B 40 6.051 -68.201 41.265 1.00 8.15 C +ATOM 2411 H THR B 40 5.530 -67.351 44.039 1.00 15.00 H +ATOM 2412 HG1 THR B 40 3.609 -67.765 41.385 1.00 15.00 H +ATOM 2413 N PRO B 41 5.536 -63.803 41.526 1.00 34.35 N +ATOM 2414 CA PRO B 41 4.922 -62.466 41.509 1.00 30.71 C +ATOM 2415 C PRO B 41 3.423 -62.508 41.757 1.00 25.16 C +ATOM 2416 O PRO B 41 2.838 -61.527 42.187 1.00 28.91 O +ATOM 2417 CB PRO B 41 5.228 -61.975 40.102 1.00 33.56 C +ATOM 2418 CG PRO B 41 6.538 -62.635 39.803 1.00 32.71 C +ATOM 2419 CD PRO B 41 6.281 -64.038 40.278 1.00 31.58 C +ATOM 2420 N GLU B 42 2.810 -63.643 41.449 1.00 22.49 N +ATOM 2421 CA GLU B 42 1.382 -63.851 41.653 1.00 33.71 C +ATOM 2422 C GLU B 42 1.044 -63.994 43.149 1.00 45.33 C +ATOM 2423 O GLU B 42 -0.131 -64.043 43.521 1.00 49.05 O +ATOM 2424 CB GLU B 42 0.933 -65.113 40.906 1.00 31.92 C +ATOM 2425 CG GLU B 42 0.529 -64.897 39.457 1.00 45.29 C +ATOM 2426 CD GLU B 42 1.614 -64.264 38.616 1.00 51.73 C +ATOM 2427 OE1 GLU B 42 2.710 -64.854 38.547 1.00 61.34 O +ATOM 2428 OE2 GLU B 42 1.370 -63.188 38.014 1.00 51.74 O +ATOM 2429 H GLU B 42 3.335 -64.372 41.074 1.00 15.00 H +ATOM 2430 N LYS B 43 2.083 -64.065 43.986 1.00 51.42 N +ATOM 2431 CA LYS B 43 1.991 -64.217 45.449 1.00 50.33 C +ATOM 2432 C LYS B 43 1.808 -65.658 45.976 1.00 40.71 C +ATOM 2433 O LYS B 43 1.618 -65.878 47.170 1.00 37.56 O +ATOM 2434 CB LYS B 43 0.951 -63.267 46.062 1.00 61.41 C +ATOM 2435 CG LYS B 43 1.360 -61.787 46.100 1.00 83.20 C +ATOM 2436 CD LYS B 43 0.995 -61.036 44.811 1.00105.07 C +ATOM 2437 CE LYS B 43 1.259 -59.528 44.928 1.00114.76 C +ATOM 2438 NZ LYS B 43 0.848 -58.751 43.713 1.00116.48 N +ATOM 2439 H LYS B 43 2.973 -63.990 43.616 1.00 15.00 H +ATOM 2440 HZ1 LYS B 43 1.352 -59.112 42.878 1.00 15.00 H +ATOM 2441 HZ2 LYS B 43 -0.175 -58.850 43.558 1.00 15.00 H +ATOM 2442 HZ3 LYS B 43 1.082 -57.748 43.853 1.00 15.00 H +ATOM 2443 N ARG B 44 1.927 -66.636 45.087 1.00 36.59 N +ATOM 2444 CA ARG B 44 1.802 -68.052 45.433 1.00 34.91 C +ATOM 2445 C ARG B 44 3.140 -68.555 46.016 1.00 34.29 C +ATOM 2446 O ARG B 44 4.209 -68.048 45.651 1.00 33.88 O +ATOM 2447 CB ARG B 44 1.402 -68.828 44.169 1.00 36.14 C +ATOM 2448 CG ARG B 44 1.730 -70.306 44.134 1.00 59.27 C +ATOM 2449 CD ARG B 44 0.789 -71.154 44.979 1.00 80.12 C +ATOM 2450 NE ARG B 44 1.148 -72.572 44.907 1.00 94.40 N +ATOM 2451 CZ ARG B 44 0.965 -73.450 45.891 1.00100.80 C +ATOM 2452 NH1 ARG B 44 0.415 -73.071 47.041 1.00102.35 N +ATOM 2453 NH2 ARG B 44 1.332 -74.714 45.723 1.00103.83 N +ATOM 2454 H ARG B 44 2.124 -66.394 44.161 1.00 15.00 H +ATOM 2455 HE ARG B 44 1.556 -72.898 44.077 1.00 15.00 H +ATOM 2456 HH11 ARG B 44 0.131 -72.125 47.187 1.00 15.00 H +ATOM 2457 HH12 ARG B 44 0.291 -73.745 47.767 1.00 15.00 H +ATOM 2458 HH21 ARG B 44 1.744 -75.002 44.859 1.00 15.00 H +ATOM 2459 HH22 ARG B 44 1.196 -75.375 46.461 1.00 15.00 H +ATOM 2460 N LEU B 45 3.080 -69.511 46.948 1.00 21.24 N +ATOM 2461 CA LEU B 45 4.288 -70.049 47.569 1.00 6.91 C +ATOM 2462 C LEU B 45 4.680 -71.422 47.020 1.00 5.53 C +ATOM 2463 O LEU B 45 3.818 -72.256 46.767 1.00 5.91 O +ATOM 2464 CB LEU B 45 4.097 -70.112 49.077 1.00 2.00 C +ATOM 2465 CG LEU B 45 4.370 -68.798 49.824 1.00 8.18 C +ATOM 2466 CD1 LEU B 45 3.621 -68.741 51.130 1.00 10.87 C +ATOM 2467 CD2 LEU B 45 5.849 -68.607 50.080 1.00 2.00 C +ATOM 2468 H LEU B 45 2.219 -69.891 47.210 1.00 15.00 H +ATOM 2469 N GLU B 46 5.971 -71.649 46.803 1.00 2.00 N +ATOM 2470 CA GLU B 46 6.440 -72.943 46.302 1.00 12.57 C +ATOM 2471 C GLU B 46 7.672 -73.415 47.065 1.00 10.58 C +ATOM 2472 O GLU B 46 8.581 -72.632 47.317 1.00 18.14 O +ATOM 2473 CB GLU B 46 6.787 -72.870 44.816 1.00 23.07 C +ATOM 2474 CG GLU B 46 5.605 -72.604 43.890 1.00 34.97 C +ATOM 2475 CD GLU B 46 5.937 -72.809 42.408 1.00 39.44 C +ATOM 2476 OE1 GLU B 46 7.122 -73.044 42.056 1.00 27.19 O +ATOM 2477 OE2 GLU B 46 4.991 -72.740 41.593 1.00 40.75 O +ATOM 2478 H GLU B 46 6.625 -70.957 47.010 1.00 15.00 H +ATOM 2479 N TRP B 47 7.697 -74.677 47.472 1.00 7.54 N +ATOM 2480 CA TRP B 47 8.869 -75.181 48.176 1.00 14.06 C +ATOM 2481 C TRP B 47 9.926 -75.584 47.148 1.00 7.95 C +ATOM 2482 O TRP B 47 9.738 -76.511 46.373 1.00 2.00 O +ATOM 2483 CB TRP B 47 8.519 -76.358 49.083 1.00 18.46 C +ATOM 2484 CG TRP B 47 9.733 -77.031 49.634 1.00 20.15 C +ATOM 2485 CD1 TRP B 47 10.610 -76.530 50.555 1.00 33.72 C +ATOM 2486 CD2 TRP B 47 10.253 -78.297 49.234 1.00 15.31 C +ATOM 2487 NE1 TRP B 47 11.655 -77.409 50.740 1.00 27.81 N +ATOM 2488 CE2 TRP B 47 11.456 -78.500 49.939 1.00 14.36 C +ATOM 2489 CE3 TRP B 47 9.818 -79.283 48.343 1.00 19.09 C +ATOM 2490 CZ2 TRP B 47 12.230 -79.638 49.775 1.00 21.23 C +ATOM 2491 CZ3 TRP B 47 10.588 -80.416 48.179 1.00 20.58 C +ATOM 2492 CH2 TRP B 47 11.783 -80.584 48.892 1.00 25.74 C +ATOM 2493 H TRP B 47 6.957 -75.279 47.272 1.00 15.00 H +ATOM 2494 HE1 TRP B 47 12.444 -77.257 51.309 1.00 15.00 H +ATOM 2495 N VAL B 48 11.038 -74.872 47.153 1.00 7.77 N +ATOM 2496 CA VAL B 48 12.101 -75.132 46.202 1.00 14.17 C +ATOM 2497 C VAL B 48 13.006 -76.280 46.585 1.00 10.54 C +ATOM 2498 O VAL B 48 13.216 -77.165 45.774 1.00 5.85 O +ATOM 2499 CB VAL B 48 12.951 -73.885 45.952 1.00 23.55 C +ATOM 2500 CG1 VAL B 48 13.848 -74.096 44.747 1.00 23.87 C +ATOM 2501 CG2 VAL B 48 12.059 -72.685 45.737 1.00 35.08 C +ATOM 2502 H VAL B 48 11.151 -74.171 47.827 1.00 15.00 H +ATOM 2503 N ALA B 49 13.561 -76.267 47.792 1.00 13.66 N +ATOM 2504 CA ALA B 49 14.436 -77.366 48.205 1.00 21.16 C +ATOM 2505 C ALA B 49 14.650 -77.517 49.705 1.00 24.48 C +ATOM 2506 O ALA B 49 14.352 -76.613 50.501 1.00 21.88 O +ATOM 2507 CB ALA B 49 15.778 -77.250 47.513 1.00 24.68 C +ATOM 2508 H ALA B 49 13.360 -75.544 48.423 1.00 15.00 H +ATOM 2509 N TYR B 50 15.181 -78.675 50.069 1.00 23.36 N +ATOM 2510 CA TYR B 50 15.485 -79.015 51.450 1.00 36.73 C +ATOM 2511 C TYR B 50 16.840 -79.687 51.472 1.00 38.98 C +ATOM 2512 O TYR B 50 17.216 -80.378 50.521 1.00 39.71 O +ATOM 2513 CB TYR B 50 14.433 -79.974 52.006 1.00 51.42 C +ATOM 2514 CG TYR B 50 14.945 -81.013 52.991 1.00 78.65 C +ATOM 2515 CD1 TYR B 50 15.136 -80.700 54.338 1.00 92.35 C +ATOM 2516 CD2 TYR B 50 15.216 -82.322 52.578 1.00 92.87 C +ATOM 2517 CE1 TYR B 50 15.584 -81.669 55.256 1.00102.54 C +ATOM 2518 CE2 TYR B 50 15.664 -83.299 53.486 1.00101.29 C +ATOM 2519 CZ TYR B 50 15.843 -82.964 54.823 1.00102.15 C +ATOM 2520 OH TYR B 50 16.264 -83.924 55.724 1.00101.48 O +ATOM 2521 H TYR B 50 15.393 -79.342 49.379 1.00 15.00 H +ATOM 2522 HH TYR B 50 16.274 -84.774 55.277 1.00 15.00 H +ATOM 2523 N ILE B 51 17.555 -79.514 52.575 1.00 45.14 N +ATOM 2524 CA ILE B 51 18.873 -80.120 52.742 1.00 44.37 C +ATOM 2525 C ILE B 51 19.049 -80.715 54.148 1.00 50.59 C +ATOM 2526 O ILE B 51 18.476 -80.222 55.133 1.00 48.17 O +ATOM 2527 CB ILE B 51 19.999 -79.103 52.469 1.00 32.93 C +ATOM 2528 CG1 ILE B 51 21.295 -79.845 52.156 1.00 26.65 C +ATOM 2529 CG2 ILE B 51 20.187 -78.160 53.668 1.00 22.78 C +ATOM 2530 CD1 ILE B 51 22.466 -78.927 51.885 1.00 31.71 C +ATOM 2531 H ILE B 51 17.193 -78.971 53.308 1.00 15.00 H +ATOM 2532 N SER B 52 19.831 -81.787 54.222 1.00 55.92 N +ATOM 2533 CA SER B 52 20.108 -82.476 55.480 1.00 61.59 C +ATOM 2534 C SER B 52 21.073 -81.703 56.380 1.00 65.05 C +ATOM 2535 O SER B 52 21.806 -80.823 55.920 1.00 73.44 O +ATOM 2536 CB SER B 52 20.685 -83.855 55.187 1.00 57.85 C +ATOM 2537 OG SER B 52 20.842 -84.610 56.371 1.00 75.42 O +ATOM 2538 H SER B 52 20.227 -82.142 53.402 1.00 15.00 H +ATOM 2539 HG SER B 52 20.022 -85.093 56.541 1.00 15.00 H +ATOM 2540 N ASN B 52A 21.115 -82.099 57.649 1.00 65.83 N +ATOM 2541 CA ASN B 52A 21.973 -81.478 58.661 1.00 66.77 C +ATOM 2542 C ASN B 52A 23.422 -81.293 58.190 1.00 68.21 C +ATOM 2543 O ASN B 52A 23.996 -80.214 58.325 1.00 69.48 O +ATOM 2544 CB ASN B 52A 21.935 -82.314 59.948 1.00 63.53 C +ATOM 2545 CG ASN B 52A 21.681 -81.470 61.188 1.00 63.57 C +ATOM 2546 OD1 ASN B 52A 22.511 -80.647 61.557 1.00 58.19 O +ATOM 2547 ND2 ASN B 52A 20.534 -81.681 61.842 1.00 51.41 N +ATOM 2548 H ASN B 52A 20.546 -82.853 57.895 1.00 15.00 H +ATOM 2549 HD21 ASN B 52A 20.364 -81.105 62.622 1.00 15.00 H +ATOM 2550 HD22 ASN B 52A 19.924 -82.375 61.531 1.00 15.00 H +ATOM 2551 N GLY B 53 24.006 -82.346 57.626 1.00 69.12 N +ATOM 2552 CA GLY B 53 25.371 -82.260 57.143 1.00 68.19 C +ATOM 2553 C GLY B 53 25.451 -82.580 55.661 1.00 73.17 C +ATOM 2554 O GLY B 53 26.415 -83.199 55.202 1.00 76.23 O +ATOM 2555 H GLY B 53 23.521 -83.187 57.510 1.00 15.00 H +ATOM 2556 N GLY B 54 24.445 -82.144 54.906 1.00 70.47 N +ATOM 2557 CA GLY B 54 24.420 -82.410 53.478 1.00 66.16 C +ATOM 2558 C GLY B 54 24.038 -83.851 53.197 1.00 65.27 C +ATOM 2559 O GLY B 54 23.367 -84.489 54.013 1.00 64.06 O +ATOM 2560 H GLY B 54 23.722 -81.626 55.322 1.00 15.00 H +ATOM 2561 N GLY B 55 24.446 -84.360 52.039 1.00 66.35 N +ATOM 2562 CA GLY B 55 24.139 -85.736 51.674 1.00 68.26 C +ATOM 2563 C GLY B 55 22.691 -85.962 51.289 1.00 66.44 C +ATOM 2564 O GLY B 55 22.380 -86.218 50.124 1.00 70.29 O +ATOM 2565 H GLY B 55 24.969 -83.800 51.432 1.00 15.00 H +ATOM 2566 N SER B 56 21.805 -85.894 52.274 1.00 63.54 N +ATOM 2567 CA SER B 56 20.382 -86.071 52.030 1.00 65.72 C +ATOM 2568 C SER B 56 19.797 -84.734 51.574 1.00 64.35 C +ATOM 2569 O SER B 56 19.769 -83.767 52.351 1.00 59.88 O +ATOM 2570 CB SER B 56 19.672 -86.515 53.314 1.00 69.07 C +ATOM 2571 OG SER B 56 20.270 -87.668 53.882 1.00 78.49 O +ATOM 2572 H SER B 56 22.115 -85.696 53.181 1.00 15.00 H +ATOM 2573 HG SER B 56 21.199 -87.510 54.094 1.00 15.00 H +ATOM 2574 N THR B 57 19.372 -84.663 50.315 1.00 56.95 N +ATOM 2575 CA THR B 57 18.775 -83.443 49.783 1.00 46.55 C +ATOM 2576 C THR B 57 17.527 -83.848 49.055 1.00 46.61 C +ATOM 2577 O THR B 57 17.397 -85.007 48.655 1.00 43.35 O +ATOM 2578 CB THR B 57 19.680 -82.730 48.787 1.00 35.25 C +ATOM 2579 OG1 THR B 57 20.097 -83.659 47.780 1.00 43.65 O +ATOM 2580 CG2 THR B 57 20.886 -82.134 49.487 1.00 29.13 C +ATOM 2581 H THR B 57 19.406 -85.435 49.710 1.00 15.00 H +ATOM 2582 HG1 THR B 57 20.661 -84.334 48.170 1.00 15.00 H +ATOM 2583 N TYR B 58 16.618 -82.894 48.881 1.00 52.24 N +ATOM 2584 CA TYR B 58 15.357 -83.147 48.195 1.00 53.89 C +ATOM 2585 C TYR B 58 14.956 -81.916 47.399 1.00 44.45 C +ATOM 2586 O TYR B 58 15.123 -80.778 47.860 1.00 40.20 O +ATOM 2587 CB TYR B 58 14.262 -83.491 49.209 1.00 65.80 C +ATOM 2588 CG TYR B 58 13.074 -84.234 48.635 1.00 79.14 C +ATOM 2589 CD1 TYR B 58 12.311 -83.689 47.605 1.00 86.08 C +ATOM 2590 CD2 TYR B 58 12.695 -85.476 49.146 1.00 88.59 C +ATOM 2591 CE1 TYR B 58 11.197 -84.356 47.098 1.00 95.69 C +ATOM 2592 CE2 TYR B 58 11.581 -86.153 48.646 1.00 93.83 C +ATOM 2593 CZ TYR B 58 10.836 -85.584 47.623 1.00 96.96 C +ATOM 2594 OH TYR B 58 9.718 -86.227 47.136 1.00103.19 O +ATOM 2595 H TYR B 58 16.784 -81.982 49.210 1.00 15.00 H +ATOM 2596 HH TYR B 58 9.572 -87.055 47.604 1.00 15.00 H +ATOM 2597 N TYR B 59 14.422 -82.160 46.206 1.00 35.75 N +ATOM 2598 CA TYR B 59 13.983 -81.100 45.316 1.00 28.54 C +ATOM 2599 C TYR B 59 12.689 -81.488 44.632 1.00 26.80 C +ATOM 2600 O TYR B 59 12.599 -82.576 44.056 1.00 27.90 O +ATOM 2601 CB TYR B 59 14.999 -80.890 44.218 1.00 26.07 C +ATOM 2602 CG TYR B 59 16.394 -80.716 44.695 1.00 28.11 C +ATOM 2603 CD1 TYR B 59 16.770 -79.564 45.372 1.00 30.96 C +ATOM 2604 CD2 TYR B 59 17.352 -81.696 44.454 1.00 29.38 C +ATOM 2605 CE1 TYR B 59 18.062 -79.383 45.804 1.00 36.08 C +ATOM 2606 CE2 TYR B 59 18.652 -81.528 44.879 1.00 44.51 C +ATOM 2607 CZ TYR B 59 18.999 -80.363 45.554 1.00 47.02 C +ATOM 2608 OH TYR B 59 20.289 -80.169 45.979 1.00 65.19 O +ATOM 2609 H TYR B 59 14.291 -83.082 45.896 1.00 15.00 H +ATOM 2610 HH TYR B 59 20.808 -80.969 45.836 1.00 15.00 H +ATOM 2611 N PRO B 60 11.677 -80.602 44.660 1.00 19.63 N +ATOM 2612 CA PRO B 60 10.405 -80.908 44.010 1.00 16.10 C +ATOM 2613 C PRO B 60 10.655 -81.154 42.526 1.00 24.92 C +ATOM 2614 O PRO B 60 11.530 -80.525 41.916 1.00 18.77 O +ATOM 2615 CB PRO B 60 9.592 -79.639 44.242 1.00 6.69 C +ATOM 2616 CG PRO B 60 10.629 -78.584 44.364 1.00 3.85 C +ATOM 2617 CD PRO B 60 11.651 -79.244 45.219 1.00 5.82 C +ATOM 2618 N ASP B 61 9.910 -82.110 41.977 1.00 35.93 N +ATOM 2619 CA ASP B 61 9.996 -82.510 40.574 1.00 39.46 C +ATOM 2620 C ASP B 61 10.372 -81.341 39.670 1.00 42.76 C +ATOM 2621 O ASP B 61 11.374 -81.404 38.959 1.00 41.08 O +ATOM 2622 CB ASP B 61 8.659 -83.110 40.136 1.00 48.55 C +ATOM 2623 CG ASP B 61 8.172 -84.207 41.079 1.00 62.26 C +ATOM 2624 OD1 ASP B 61 7.579 -83.872 42.130 1.00 68.69 O +ATOM 2625 OD2 ASP B 61 8.383 -85.401 40.769 1.00 68.63 O +ATOM 2626 H ASP B 61 9.304 -82.583 42.574 1.00 15.00 H +ATOM 2627 N THR B 62 9.602 -80.256 39.774 1.00 43.21 N +ATOM 2628 CA THR B 62 9.815 -79.035 38.997 1.00 32.14 C +ATOM 2629 C THR B 62 11.299 -78.690 38.856 1.00 35.85 C +ATOM 2630 O THR B 62 11.851 -78.714 37.755 1.00 45.18 O +ATOM 2631 CB THR B 62 9.096 -77.809 39.648 1.00 30.82 C +ATOM 2632 OG1 THR B 62 9.541 -77.632 41.000 1.00 21.11 O +ATOM 2633 CG2 THR B 62 7.602 -78.000 39.660 1.00 33.25 C +ATOM 2634 H THR B 62 8.872 -80.262 40.418 1.00 15.00 H +ATOM 2635 HG1 THR B 62 9.112 -76.874 41.416 1.00 15.00 H +ATOM 2636 N VAL B 63 11.945 -78.434 39.988 1.00 22.97 N +ATOM 2637 CA VAL B 63 13.345 -78.050 40.021 1.00 22.02 C +ATOM 2638 C VAL B 63 14.340 -79.211 39.982 1.00 29.36 C +ATOM 2639 O VAL B 63 15.546 -78.987 39.828 1.00 30.20 O +ATOM 2640 CB VAL B 63 13.632 -77.199 41.265 1.00 27.76 C +ATOM 2641 CG1 VAL B 63 12.525 -76.155 41.464 1.00 31.04 C +ATOM 2642 CG2 VAL B 63 13.764 -78.081 42.501 1.00 31.80 C +ATOM 2643 H VAL B 63 11.452 -78.534 40.831 1.00 15.00 H +ATOM 2644 N LYS B 64 13.848 -80.439 40.121 1.00 31.42 N +ATOM 2645 CA LYS B 64 14.712 -81.617 40.112 1.00 37.83 C +ATOM 2646 C LYS B 64 15.563 -81.692 38.833 1.00 42.20 C +ATOM 2647 O LYS B 64 15.035 -81.721 37.723 1.00 50.92 O +ATOM 2648 CB LYS B 64 13.870 -82.890 40.293 1.00 43.05 C +ATOM 2649 CG LYS B 64 14.691 -84.150 40.579 1.00 60.50 C +ATOM 2650 CD LYS B 64 13.829 -85.373 40.911 1.00 68.24 C +ATOM 2651 CE LYS B 64 13.088 -85.213 42.238 1.00 72.91 C +ATOM 2652 NZ LYS B 64 14.019 -85.002 43.387 1.00 77.47 N +ATOM 2653 H LYS B 64 12.879 -80.564 40.192 1.00 15.00 H +ATOM 2654 HZ1 LYS B 64 14.679 -85.802 43.465 1.00 15.00 H +ATOM 2655 HZ2 LYS B 64 14.552 -84.123 43.236 1.00 15.00 H +ATOM 2656 HZ3 LYS B 64 13.463 -84.925 44.263 1.00 15.00 H +ATOM 2657 N GLY B 65 16.884 -81.702 38.988 1.00 39.44 N +ATOM 2658 CA GLY B 65 17.748 -81.760 37.825 1.00 34.21 C +ATOM 2659 C GLY B 65 18.324 -80.393 37.499 1.00 37.29 C +ATOM 2660 O GLY B 65 19.425 -80.285 36.961 1.00 33.14 O +ATOM 2661 H GLY B 65 17.270 -81.649 39.885 1.00 15.00 H +ATOM 2662 N ARG B 66 17.582 -79.339 37.816 1.00 36.56 N +ATOM 2663 CA ARG B 66 18.060 -77.983 37.562 1.00 35.96 C +ATOM 2664 C ARG B 66 18.681 -77.341 38.795 1.00 38.00 C +ATOM 2665 O ARG B 66 19.579 -76.502 38.691 1.00 43.34 O +ATOM 2666 CB ARG B 66 16.925 -77.075 37.110 1.00 34.26 C +ATOM 2667 CG ARG B 66 16.282 -77.433 35.815 1.00 32.06 C +ATOM 2668 CD ARG B 66 15.864 -76.160 35.102 1.00 32.35 C +ATOM 2669 NE ARG B 66 14.956 -75.312 35.876 1.00 18.76 N +ATOM 2670 CZ ARG B 66 13.725 -75.671 36.211 1.00 32.95 C +ATOM 2671 NH1 ARG B 66 13.266 -76.864 35.849 1.00 42.78 N +ATOM 2672 NH2 ARG B 66 12.943 -74.841 36.888 1.00 34.24 N +ATOM 2673 H ARG B 66 16.693 -79.462 38.211 1.00 15.00 H +ATOM 2674 HE ARG B 66 15.279 -74.434 36.171 1.00 15.00 H +ATOM 2675 HH11 ARG B 66 13.830 -77.496 35.317 1.00 15.00 H +ATOM 2676 HH12 ARG B 66 12.337 -77.130 36.101 1.00 15.00 H +ATOM 2677 HH21 ARG B 66 13.314 -73.959 37.162 1.00 15.00 H +ATOM 2678 HH22 ARG B 66 12.015 -75.105 37.149 1.00 15.00 H +ATOM 2679 N PHE B 67 18.155 -77.669 39.965 1.00 32.15 N +ATOM 2680 CA PHE B 67 18.678 -77.066 41.166 1.00 31.98 C +ATOM 2681 C PHE B 67 19.569 -77.946 42.023 1.00 37.22 C +ATOM 2682 O PHE B 67 19.487 -79.181 42.008 1.00 29.57 O +ATOM 2683 CB PHE B 67 17.544 -76.460 41.986 1.00 28.32 C +ATOM 2684 CG PHE B 67 16.836 -75.325 41.295 1.00 38.19 C +ATOM 2685 CD1 PHE B 67 17.379 -74.730 40.160 1.00 39.14 C +ATOM 2686 CD2 PHE B 67 15.620 -74.857 41.771 1.00 38.52 C +ATOM 2687 CE1 PHE B 67 16.721 -73.693 39.512 1.00 34.53 C +ATOM 2688 CE2 PHE B 67 14.955 -73.821 41.131 1.00 34.18 C +ATOM 2689 CZ PHE B 67 15.507 -73.239 39.998 1.00 42.74 C +ATOM 2690 H PHE B 67 17.422 -78.311 40.024 1.00 15.00 H +ATOM 2691 N THR B 68 20.432 -77.277 42.771 1.00 41.12 N +ATOM 2692 CA THR B 68 21.358 -77.941 43.650 1.00 33.20 C +ATOM 2693 C THR B 68 21.498 -77.116 44.925 1.00 32.61 C +ATOM 2694 O THR B 68 22.123 -76.060 44.919 1.00 39.10 O +ATOM 2695 CB THR B 68 22.710 -78.066 42.957 1.00 30.10 C +ATOM 2696 OG1 THR B 68 22.525 -78.655 41.663 1.00 42.55 O +ATOM 2697 CG2 THR B 68 23.645 -78.917 43.767 1.00 27.68 C +ATOM 2698 H THR B 68 20.484 -76.305 42.682 1.00 15.00 H +ATOM 2699 HG1 THR B 68 21.864 -79.355 41.713 1.00 15.00 H +ATOM 2700 N ILE B 69 20.837 -77.555 45.993 1.00 29.99 N +ATOM 2701 CA ILE B 69 20.916 -76.878 47.285 1.00 31.63 C +ATOM 2702 C ILE B 69 22.183 -77.375 47.960 1.00 36.12 C +ATOM 2703 O ILE B 69 22.584 -78.530 47.769 1.00 39.35 O +ATOM 2704 CB ILE B 69 19.701 -77.217 48.195 1.00 27.92 C +ATOM 2705 CG1 ILE B 69 19.711 -76.357 49.460 1.00 12.79 C +ATOM 2706 CG2 ILE B 69 19.718 -78.674 48.585 1.00 16.32 C +ATOM 2707 CD1 ILE B 69 18.451 -76.507 50.281 1.00 10.22 C +ATOM 2708 H ILE B 69 20.312 -78.366 45.933 1.00 15.00 H +ATOM 2709 N SER B 70 22.847 -76.504 48.708 1.00 39.50 N +ATOM 2710 CA SER B 70 24.059 -76.912 49.399 1.00 42.02 C +ATOM 2711 C SER B 70 24.290 -76.062 50.627 1.00 46.86 C +ATOM 2712 O SER B 70 23.544 -75.112 50.895 1.00 46.75 O +ATOM 2713 CB SER B 70 25.275 -76.837 48.475 1.00 38.54 C +ATOM 2714 OG SER B 70 25.652 -75.495 48.240 1.00 36.02 O +ATOM 2715 H SER B 70 22.533 -75.578 48.802 1.00 15.00 H +ATOM 2716 HG SER B 70 26.343 -75.490 47.572 1.00 15.00 H +ATOM 2717 N ARG B 71 25.333 -76.409 51.371 1.00 54.45 N +ATOM 2718 CA ARG B 71 25.674 -75.688 52.580 1.00 59.16 C +ATOM 2719 C ARG B 71 27.129 -75.902 52.944 1.00 67.18 C +ATOM 2720 O ARG B 71 27.754 -76.890 52.535 1.00 67.09 O +ATOM 2721 CB ARG B 71 24.790 -76.155 53.736 1.00 55.60 C +ATOM 2722 CG ARG B 71 24.939 -77.633 54.071 1.00 45.51 C +ATOM 2723 CD ARG B 71 23.929 -78.059 55.114 1.00 37.69 C +ATOM 2724 NE ARG B 71 24.000 -77.226 56.312 1.00 30.54 N +ATOM 2725 CZ ARG B 71 23.051 -77.177 57.243 1.00 31.07 C +ATOM 2726 NH1 ARG B 71 21.947 -77.907 57.115 1.00 24.19 N +ATOM 2727 NH2 ARG B 71 23.202 -76.392 58.303 1.00 35.50 N +ATOM 2728 H ARG B 71 25.922 -77.151 51.123 1.00 15.00 H +ATOM 2729 HE ARG B 71 24.789 -76.658 56.440 1.00 15.00 H +ATOM 2730 HH11 ARG B 71 21.823 -78.506 56.323 1.00 15.00 H +ATOM 2731 HH12 ARG B 71 21.244 -77.866 57.815 1.00 15.00 H +ATOM 2732 HH21 ARG B 71 24.026 -75.836 58.404 1.00 15.00 H +ATOM 2733 HH22 ARG B 71 22.488 -76.361 59.003 1.00 15.00 H +ATOM 2734 N ASP B 72 27.665 -74.929 53.672 1.00 76.17 N +ATOM 2735 CA ASP B 72 29.035 -74.957 54.163 1.00 85.47 C +ATOM 2736 C ASP B 72 28.911 -74.624 55.640 1.00 88.87 C +ATOM 2737 O ASP B 72 28.810 -73.448 56.016 1.00 91.71 O +ATOM 2738 CB ASP B 72 29.905 -73.902 53.462 1.00 87.28 C +ATOM 2739 CG ASP B 72 31.298 -73.792 54.071 1.00 86.48 C +ATOM 2740 OD1 ASP B 72 32.061 -74.781 54.011 1.00 94.67 O +ATOM 2741 OD2 ASP B 72 31.627 -72.718 54.616 1.00 80.12 O +ATOM 2742 H ASP B 72 27.103 -74.153 53.887 1.00 15.00 H +ATOM 2743 N ASN B 73 28.839 -75.667 56.461 1.00 90.11 N +ATOM 2744 CA ASN B 73 28.715 -75.523 57.908 1.00 91.19 C +ATOM 2745 C ASN B 73 30.020 -74.926 58.448 1.00 92.98 C +ATOM 2746 O ASN B 73 30.769 -75.588 59.167 1.00 94.66 O +ATOM 2747 CB ASN B 73 28.451 -76.893 58.556 1.00 92.81 C +ATOM 2748 CG ASN B 73 27.326 -77.667 57.877 1.00 91.39 C +ATOM 2749 OD1 ASN B 73 27.260 -77.736 56.651 1.00 91.36 O +ATOM 2750 ND2 ASN B 73 26.460 -78.283 58.675 1.00 91.80 N +ATOM 2751 H ASN B 73 28.849 -76.570 56.067 1.00 15.00 H +ATOM 2752 HD21 ASN B 73 25.700 -78.766 58.266 1.00 15.00 H +ATOM 2753 HD22 ASN B 73 26.570 -78.251 59.643 1.00 15.00 H +ATOM 2754 N ALA B 74 30.282 -73.673 58.090 1.00 92.36 N +ATOM 2755 CA ALA B 74 31.491 -72.971 58.498 1.00 89.83 C +ATOM 2756 C ALA B 74 31.239 -71.484 58.311 1.00 88.74 C +ATOM 2757 O ALA B 74 31.240 -70.716 59.271 1.00 90.53 O +ATOM 2758 CB ALA B 74 32.675 -73.419 57.642 1.00 87.29 C +ATOM 2759 H ALA B 74 29.614 -73.169 57.602 1.00 15.00 H +ATOM 2760 N LYS B 75 30.993 -71.088 57.067 1.00 86.49 N +ATOM 2761 CA LYS B 75 30.720 -69.693 56.759 1.00 85.42 C +ATOM 2762 C LYS B 75 29.275 -69.383 57.138 1.00 86.12 C +ATOM 2763 O LYS B 75 28.833 -68.238 57.039 1.00 92.03 O +ATOM 2764 CB LYS B 75 30.935 -69.420 55.269 1.00 81.74 C +ATOM 2765 CG LYS B 75 32.330 -69.730 54.758 1.00 83.35 C +ATOM 2766 CD LYS B 75 33.393 -68.899 55.449 1.00 87.99 C +ATOM 2767 CE LYS B 75 34.774 -69.297 54.958 1.00 90.83 C +ATOM 2768 NZ LYS B 75 35.859 -68.560 55.654 1.00 96.04 N +ATOM 2769 H LYS B 75 30.977 -71.740 56.343 1.00 15.00 H +ATOM 2770 HZ1 LYS B 75 35.785 -68.724 56.678 1.00 15.00 H +ATOM 2771 HZ2 LYS B 75 36.782 -68.900 55.314 1.00 15.00 H +ATOM 2772 HZ3 LYS B 75 35.766 -67.543 55.456 1.00 15.00 H +ATOM 2773 N ASN B 76 28.554 -70.412 57.585 1.00 82.10 N +ATOM 2774 CA ASN B 76 27.149 -70.293 57.979 1.00 77.06 C +ATOM 2775 C ASN B 76 26.331 -69.858 56.770 1.00 72.68 C +ATOM 2776 O ASN B 76 25.559 -68.906 56.846 1.00 72.13 O +ATOM 2777 CB ASN B 76 26.970 -69.273 59.122 1.00 75.74 C +ATOM 2778 CG ASN B 76 27.548 -69.751 60.452 1.00 75.49 C +ATOM 2779 OD1 ASN B 76 27.925 -70.917 60.610 1.00 75.21 O +ATOM 2780 ND2 ASN B 76 27.615 -68.843 61.419 1.00 67.59 N +ATOM 2781 H ASN B 76 28.958 -71.288 57.666 1.00 15.00 H +ATOM 2782 HD21 ASN B 76 27.971 -69.114 62.286 1.00 15.00 H +ATOM 2783 HD22 ASN B 76 27.294 -67.946 61.189 1.00 15.00 H +ATOM 2784 N THR B 77 26.497 -70.557 55.652 1.00 69.34 N +ATOM 2785 CA THR B 77 25.778 -70.195 54.439 1.00 66.27 C +ATOM 2786 C THR B 77 25.064 -71.333 53.734 1.00 63.04 C +ATOM 2787 O THR B 77 25.643 -72.403 53.512 1.00 66.63 O +ATOM 2788 CB THR B 77 26.712 -69.550 53.391 1.00 67.50 C +ATOM 2789 OG1 THR B 77 27.782 -70.455 53.081 1.00 69.06 O +ATOM 2790 CG2 THR B 77 27.277 -68.227 53.898 1.00 69.04 C +ATOM 2791 H THR B 77 27.110 -71.313 55.612 1.00 15.00 H +ATOM 2792 HG1 THR B 77 27.415 -71.266 52.709 1.00 15.00 H +ATOM 2793 N LEU B 78 23.801 -71.092 53.394 1.00 54.83 N +ATOM 2794 CA LEU B 78 22.997 -72.048 52.654 1.00 42.38 C +ATOM 2795 C LEU B 78 23.104 -71.529 51.217 1.00 39.71 C +ATOM 2796 O LEU B 78 23.203 -70.315 50.997 1.00 29.57 O +ATOM 2797 CB LEU B 78 21.546 -72.012 53.133 1.00 35.05 C +ATOM 2798 CG LEU B 78 20.657 -73.033 52.432 1.00 32.94 C +ATOM 2799 CD1 LEU B 78 21.040 -74.432 52.871 1.00 31.50 C +ATOM 2800 CD2 LEU B 78 19.212 -72.747 52.733 1.00 35.72 C +ATOM 2801 H LEU B 78 23.389 -70.251 53.651 1.00 15.00 H +ATOM 2802 N TYR B 79 23.121 -72.432 50.247 1.00 35.73 N +ATOM 2803 CA TYR B 79 23.246 -72.033 48.852 1.00 35.94 C +ATOM 2804 C TYR B 79 22.218 -72.723 47.970 1.00 37.38 C +ATOM 2805 O TYR B 79 21.648 -73.757 48.342 1.00 35.17 O +ATOM 2806 CB TYR B 79 24.627 -72.425 48.304 1.00 43.37 C +ATOM 2807 CG TYR B 79 25.832 -71.627 48.768 1.00 48.48 C +ATOM 2808 CD1 TYR B 79 25.714 -70.305 49.182 1.00 54.69 C +ATOM 2809 CD2 TYR B 79 27.114 -72.188 48.723 1.00 48.14 C +ATOM 2810 CE1 TYR B 79 26.844 -69.554 49.534 1.00 56.42 C +ATOM 2811 CE2 TYR B 79 28.247 -71.446 49.073 1.00 48.37 C +ATOM 2812 CZ TYR B 79 28.102 -70.130 49.475 1.00 52.03 C +ATOM 2813 OH TYR B 79 29.207 -69.380 49.811 1.00 57.26 O +ATOM 2814 H TYR B 79 23.019 -73.383 50.451 1.00 15.00 H +ATOM 2815 HH TYR B 79 28.935 -68.493 50.053 1.00 15.00 H +ATOM 2816 N LEU B 80 22.021 -72.162 46.781 1.00 36.71 N +ATOM 2817 CA LEU B 80 21.118 -72.725 45.780 1.00 32.80 C +ATOM 2818 C LEU B 80 21.823 -72.585 44.436 1.00 25.43 C +ATOM 2819 O LEU B 80 22.244 -71.500 44.054 1.00 22.75 O +ATOM 2820 CB LEU B 80 19.767 -71.996 45.732 1.00 34.14 C +ATOM 2821 CG LEU B 80 18.764 -72.642 44.758 1.00 33.07 C +ATOM 2822 CD1 LEU B 80 18.393 -74.032 45.261 1.00 32.59 C +ATOM 2823 CD2 LEU B 80 17.518 -71.791 44.579 1.00 16.97 C +ATOM 2824 H LEU B 80 22.505 -71.338 46.561 1.00 15.00 H +ATOM 2825 N GLN B 81 21.990 -73.698 43.743 1.00 28.03 N +ATOM 2826 CA GLN B 81 22.639 -73.694 42.455 1.00 29.69 C +ATOM 2827 C GLN B 81 21.559 -73.907 41.420 1.00 40.42 C +ATOM 2828 O GLN B 81 21.082 -75.031 41.208 1.00 45.83 O +ATOM 2829 CB GLN B 81 23.674 -74.802 42.391 1.00 37.40 C +ATOM 2830 CG GLN B 81 25.075 -74.314 42.099 1.00 49.73 C +ATOM 2831 CD GLN B 81 25.297 -74.063 40.629 1.00 55.96 C +ATOM 2832 OE1 GLN B 81 25.713 -74.961 39.893 1.00 66.88 O +ATOM 2833 NE2 GLN B 81 25.024 -72.845 40.187 1.00 51.46 N +ATOM 2834 H GLN B 81 21.644 -74.531 44.101 1.00 15.00 H +ATOM 2835 HE21 GLN B 81 25.148 -72.705 39.227 1.00 15.00 H +ATOM 2836 HE22 GLN B 81 24.709 -72.168 40.817 1.00 15.00 H +ATOM 2837 N MET B 82 21.118 -72.798 40.843 1.00 38.23 N +ATOM 2838 CA MET B 82 20.083 -72.809 39.828 1.00 34.40 C +ATOM 2839 C MET B 82 20.756 -72.888 38.464 1.00 32.17 C +ATOM 2840 O MET B 82 21.710 -72.158 38.195 1.00 32.01 O +ATOM 2841 CB MET B 82 19.255 -71.532 39.941 1.00 37.17 C +ATOM 2842 CG MET B 82 18.901 -71.183 41.371 1.00 37.00 C +ATOM 2843 SD MET B 82 18.084 -69.605 41.525 1.00 37.83 S +ATOM 2844 CE MET B 82 16.389 -70.123 41.214 1.00 28.39 C +ATOM 2845 H MET B 82 21.522 -71.933 41.070 1.00 15.00 H +ATOM 2846 N SER B 82A 20.269 -73.783 37.616 1.00 33.43 N +ATOM 2847 CA SER B 82A 20.829 -73.966 36.281 1.00 40.94 C +ATOM 2848 C SER B 82A 19.732 -74.184 35.246 1.00 41.13 C +ATOM 2849 O SER B 82A 18.589 -74.467 35.598 1.00 42.10 O +ATOM 2850 CB SER B 82A 21.771 -75.175 36.266 1.00 39.45 C +ATOM 2851 OG SER B 82A 22.827 -75.014 37.196 1.00 53.99 O +ATOM 2852 H SER B 82A 19.523 -74.367 37.868 1.00 15.00 H +ATOM 2853 HG SER B 82A 22.478 -75.020 38.094 1.00 15.00 H +ATOM 2854 N ARG B 82B 20.092 -74.039 33.973 1.00 41.36 N +ATOM 2855 CA ARG B 82B 19.163 -74.240 32.868 1.00 43.68 C +ATOM 2856 C ARG B 82B 17.798 -73.621 33.209 1.00 32.64 C +ATOM 2857 O ARG B 82B 16.772 -74.280 33.111 1.00 23.32 O +ATOM 2858 CB ARG B 82B 19.043 -75.749 32.600 1.00 58.59 C +ATOM 2859 CG ARG B 82B 18.853 -76.149 31.142 1.00 82.67 C +ATOM 2860 CD ARG B 82B 17.522 -75.658 30.588 1.00104.72 C +ATOM 2861 NE ARG B 82B 17.257 -76.153 29.239 1.00122.68 N +ATOM 2862 CZ ARG B 82B 16.647 -75.450 28.287 1.00131.52 C +ATOM 2863 NH1 ARG B 82B 16.236 -74.207 28.524 1.00136.09 N +ATOM 2864 NH2 ARG B 82B 16.429 -75.998 27.098 1.00135.34 N +ATOM 2865 H ARG B 82B 21.008 -73.761 33.771 1.00 15.00 H +ATOM 2866 HE ARG B 82B 17.549 -77.063 29.023 1.00 15.00 H +ATOM 2867 HH11 ARG B 82B 16.378 -73.780 29.418 1.00 15.00 H +ATOM 2868 HH12 ARG B 82B 15.781 -73.696 27.795 1.00 15.00 H +ATOM 2869 HH21 ARG B 82B 16.720 -76.937 26.923 1.00 15.00 H +ATOM 2870 HH22 ARG B 82B 15.970 -75.474 26.381 1.00 15.00 H +ATOM 2871 N LEU B 82C 17.807 -72.350 33.605 1.00 29.81 N +ATOM 2872 CA LEU B 82C 16.588 -71.636 33.997 1.00 25.97 C +ATOM 2873 C LEU B 82C 15.463 -71.519 32.976 1.00 25.32 C +ATOM 2874 O LEU B 82C 15.695 -71.447 31.773 1.00 26.44 O +ATOM 2875 CB LEU B 82C 16.946 -70.249 34.539 1.00 21.62 C +ATOM 2876 CG LEU B 82C 17.612 -70.333 35.921 1.00 31.24 C +ATOM 2877 CD1 LEU B 82C 18.217 -69.020 36.379 1.00 8.01 C +ATOM 2878 CD2 LEU B 82C 16.575 -70.810 36.918 1.00 32.23 C +ATOM 2879 H LEU B 82C 18.671 -71.883 33.636 1.00 15.00 H +ATOM 2880 N LYS B 83 14.234 -71.549 33.482 1.00 32.13 N +ATOM 2881 CA LYS B 83 13.014 -71.424 32.680 1.00 28.75 C +ATOM 2882 C LYS B 83 12.282 -70.212 33.232 1.00 23.65 C +ATOM 2883 O LYS B 83 12.539 -69.797 34.354 1.00 27.76 O +ATOM 2884 CB LYS B 83 12.090 -72.635 32.854 1.00 37.55 C +ATOM 2885 CG LYS B 83 12.611 -73.955 32.344 1.00 39.82 C +ATOM 2886 CD LYS B 83 11.510 -74.999 32.420 1.00 41.76 C +ATOM 2887 CE LYS B 83 11.985 -76.341 31.899 1.00 49.80 C +ATOM 2888 NZ LYS B 83 10.872 -77.324 31.838 1.00 55.40 N +ATOM 2889 H LYS B 83 14.147 -71.640 34.446 1.00 15.00 H +ATOM 2890 HZ1 LYS B 83 10.462 -77.438 32.786 1.00 15.00 H +ATOM 2891 HZ2 LYS B 83 10.143 -76.976 31.182 1.00 15.00 H +ATOM 2892 HZ3 LYS B 83 11.235 -78.236 31.500 1.00 15.00 H +ATOM 2893 N SER B 84 11.313 -69.707 32.478 1.00 26.00 N +ATOM 2894 CA SER B 84 10.536 -68.539 32.877 1.00 21.31 C +ATOM 2895 C SER B 84 9.855 -68.766 34.224 1.00 18.62 C +ATOM 2896 O SER B 84 9.924 -67.927 35.120 1.00 17.96 O +ATOM 2897 CB SER B 84 9.492 -68.232 31.806 1.00 33.78 C +ATOM 2898 OG SER B 84 8.571 -67.251 32.244 1.00 47.03 O +ATOM 2899 H SER B 84 11.125 -70.124 31.613 1.00 15.00 H +ATOM 2900 HG SER B 84 7.979 -67.004 31.530 1.00 15.00 H +ATOM 2901 N GLU B 85 9.219 -69.926 34.340 1.00 15.18 N +ATOM 2902 CA GLU B 85 8.495 -70.372 35.522 1.00 10.53 C +ATOM 2903 C GLU B 85 9.204 -70.057 36.844 1.00 18.72 C +ATOM 2904 O GLU B 85 8.558 -69.713 37.841 1.00 22.84 O +ATOM 2905 CB GLU B 85 8.283 -71.878 35.411 1.00 19.38 C +ATOM 2906 CG GLU B 85 7.924 -72.359 34.014 1.00 29.16 C +ATOM 2907 CD GLU B 85 7.797 -73.878 33.908 1.00 50.84 C +ATOM 2908 OE1 GLU B 85 8.074 -74.592 34.904 1.00 46.58 O +ATOM 2909 OE2 GLU B 85 7.418 -74.357 32.811 1.00 60.57 O +ATOM 2910 H GLU B 85 9.252 -70.493 33.550 1.00 15.00 H +ATOM 2911 N ASP B 86 10.532 -70.161 36.832 1.00 17.68 N +ATOM 2912 CA ASP B 86 11.370 -69.912 38.004 1.00 14.42 C +ATOM 2913 C ASP B 86 11.433 -68.482 38.464 1.00 15.02 C +ATOM 2914 O ASP B 86 12.056 -68.187 39.477 1.00 33.28 O +ATOM 2915 CB ASP B 86 12.776 -70.403 37.739 1.00 2.00 C +ATOM 2916 CG ASP B 86 12.787 -71.822 37.289 1.00 16.27 C +ATOM 2917 OD1 ASP B 86 11.922 -72.598 37.775 1.00 21.76 O +ATOM 2918 OD2 ASP B 86 13.635 -72.159 36.437 1.00 23.58 O +ATOM 2919 H ASP B 86 10.980 -70.375 35.993 1.00 15.00 H +ATOM 2920 N THR B 87 10.846 -67.582 37.699 1.00 16.49 N +ATOM 2921 CA THR B 87 10.840 -66.187 38.074 1.00 21.39 C +ATOM 2922 C THR B 87 10.029 -66.099 39.361 1.00 21.48 C +ATOM 2923 O THR B 87 8.851 -66.495 39.385 1.00 27.02 O +ATOM 2924 CB THR B 87 10.205 -65.328 36.966 1.00 15.49 C +ATOM 2925 OG1 THR B 87 11.038 -65.384 35.810 1.00 17.30 O +ATOM 2926 CG2 THR B 87 10.086 -63.892 37.397 1.00 4.32 C +ATOM 2927 H THR B 87 10.374 -67.849 36.897 1.00 15.00 H +ATOM 2928 HG1 THR B 87 10.636 -66.049 35.224 1.00 15.00 H +ATOM 2929 N ALA B 88 10.691 -65.668 40.437 1.00 14.29 N +ATOM 2930 CA ALA B 88 10.052 -65.521 41.744 1.00 17.96 C +ATOM 2931 C ALA B 88 10.991 -64.941 42.796 1.00 18.12 C +ATOM 2932 O ALA B 88 12.159 -64.685 42.530 1.00 24.82 O +ATOM 2933 CB ALA B 88 9.517 -66.863 42.222 1.00 18.70 C +ATOM 2934 H ALA B 88 11.647 -65.447 40.362 1.00 15.00 H +ATOM 2935 N MET B 89 10.442 -64.696 43.978 1.00 20.51 N +ATOM 2936 CA MET B 89 11.180 -64.182 45.130 1.00 20.68 C +ATOM 2937 C MET B 89 11.766 -65.417 45.840 1.00 22.49 C +ATOM 2938 O MET B 89 11.091 -66.442 45.962 1.00 27.31 O +ATOM 2939 CB MET B 89 10.191 -63.457 46.052 1.00 7.33 C +ATOM 2940 CG MET B 89 10.794 -62.897 47.291 1.00 2.00 C +ATOM 2941 SD MET B 89 12.039 -61.704 46.906 1.00 23.44 S +ATOM 2942 CE MET B 89 11.556 -60.354 48.031 1.00 2.00 C +ATOM 2943 H MET B 89 9.495 -64.858 44.073 1.00 15.00 H +ATOM 2944 N TYR B 90 13.013 -65.355 46.282 1.00 20.67 N +ATOM 2945 CA TYR B 90 13.594 -66.519 46.944 1.00 21.32 C +ATOM 2946 C TYR B 90 14.001 -66.261 48.376 1.00 27.26 C +ATOM 2947 O TYR B 90 14.670 -65.269 48.675 1.00 23.88 O +ATOM 2948 CB TYR B 90 14.784 -67.069 46.148 1.00 13.43 C +ATOM 2949 CG TYR B 90 14.358 -67.802 44.898 1.00 19.45 C +ATOM 2950 CD1 TYR B 90 14.156 -67.129 43.701 1.00 16.85 C +ATOM 2951 CD2 TYR B 90 14.103 -69.169 44.926 1.00 29.34 C +ATOM 2952 CE1 TYR B 90 13.698 -67.802 42.557 1.00 20.99 C +ATOM 2953 CE2 TYR B 90 13.651 -69.850 43.791 1.00 29.06 C +ATOM 2954 CZ TYR B 90 13.448 -69.160 42.615 1.00 26.73 C +ATOM 2955 OH TYR B 90 12.971 -69.839 41.516 1.00 22.95 O +ATOM 2956 H TYR B 90 13.564 -64.556 46.145 1.00 15.00 H +ATOM 2957 HH TYR B 90 12.819 -69.190 40.820 1.00 15.00 H +ATOM 2958 N TYR B 91 13.558 -67.140 49.269 1.00 29.55 N +ATOM 2959 CA TYR B 91 13.894 -67.028 50.682 1.00 23.38 C +ATOM 2960 C TYR B 91 14.403 -68.366 51.166 1.00 22.06 C +ATOM 2961 O TYR B 91 13.964 -69.413 50.692 1.00 25.46 O +ATOM 2962 CB TYR B 91 12.676 -66.721 51.549 1.00 13.57 C +ATOM 2963 CG TYR B 91 11.747 -65.616 51.112 1.00 11.22 C +ATOM 2964 CD1 TYR B 91 10.752 -65.856 50.165 1.00 6.14 C +ATOM 2965 CD2 TYR B 91 11.749 -64.380 51.763 1.00 12.88 C +ATOM 2966 CE1 TYR B 91 9.769 -64.906 49.887 1.00 4.66 C +ATOM 2967 CE2 TYR B 91 10.767 -63.414 51.486 1.00 17.22 C +ATOM 2968 CZ TYR B 91 9.777 -63.691 50.548 1.00 9.16 C +ATOM 2969 OH TYR B 91 8.787 -62.766 50.273 1.00 28.16 O +ATOM 2970 H TYR B 91 13.008 -67.897 48.983 1.00 15.00 H +ATOM 2971 HH TYR B 91 8.166 -63.097 49.611 1.00 15.00 H +ATOM 2972 N CYS B 92 15.338 -68.328 52.105 1.00 30.12 N +ATOM 2973 CA CYS B 92 15.855 -69.542 52.704 1.00 28.81 C +ATOM 2974 C CYS B 92 15.167 -69.556 54.042 1.00 27.68 C +ATOM 2975 O CYS B 92 14.943 -68.500 54.643 1.00 36.48 O +ATOM 2976 CB CYS B 92 17.367 -69.477 52.868 1.00 35.99 C +ATOM 2977 SG CYS B 92 18.044 -67.918 53.520 1.00 36.06 S +ATOM 2978 H CYS B 92 15.684 -67.480 52.434 1.00 15.00 H +ATOM 2979 N ALA B 93 14.750 -70.726 54.479 1.00 24.84 N +ATOM 2980 CA ALA B 93 14.058 -70.805 55.739 1.00 31.99 C +ATOM 2981 C ALA B 93 14.650 -71.906 56.573 1.00 36.69 C +ATOM 2982 O ALA B 93 15.295 -72.818 56.048 1.00 41.70 O +ATOM 2983 CB ALA B 93 12.590 -71.050 55.506 1.00 37.97 C +ATOM 2984 H ALA B 93 14.928 -71.555 54.001 1.00 15.00 H +ATOM 2985 N ARG B 94 14.417 -71.823 57.876 1.00 35.86 N +ATOM 2986 CA ARG B 94 14.929 -72.803 58.814 1.00 34.75 C +ATOM 2987 C ARG B 94 13.809 -73.696 59.304 1.00 33.06 C +ATOM 2988 O ARG B 94 12.677 -73.237 59.469 1.00 36.15 O +ATOM 2989 CB ARG B 94 15.572 -72.093 60.004 1.00 41.41 C +ATOM 2990 CG ARG B 94 16.165 -73.033 61.037 1.00 49.28 C +ATOM 2991 CD ARG B 94 16.778 -72.283 62.205 1.00 46.94 C +ATOM 2992 NE ARG B 94 15.772 -71.650 63.050 1.00 41.05 N +ATOM 2993 CZ ARG B 94 15.870 -71.545 64.369 1.00 43.91 C +ATOM 2994 NH1 ARG B 94 16.925 -72.034 65.000 1.00 39.58 N +ATOM 2995 NH2 ARG B 94 14.915 -70.948 65.062 1.00 45.48 N +ATOM 2996 H ARG B 94 13.867 -71.086 58.202 1.00 15.00 H +ATOM 2997 HE ARG B 94 14.975 -71.275 62.624 1.00 15.00 H +ATOM 2998 HH11 ARG B 94 17.650 -72.477 64.474 1.00 15.00 H +ATOM 2999 HH12 ARG B 94 17.001 -71.964 65.995 1.00 15.00 H +ATOM 3000 HH21 ARG B 94 14.123 -70.568 64.585 1.00 15.00 H +ATOM 3001 HH22 ARG B 94 14.986 -70.869 66.056 1.00 15.00 H +ATOM 3002 N HIS B 95 14.129 -74.968 59.530 1.00 34.61 N +ATOM 3003 CA HIS B 95 13.168 -75.946 60.028 1.00 28.09 C +ATOM 3004 C HIS B 95 13.246 -75.960 61.538 1.00 32.91 C +ATOM 3005 O HIS B 95 13.981 -76.757 62.118 1.00 44.94 O +ATOM 3006 CB HIS B 95 13.504 -77.339 59.508 1.00 22.20 C +ATOM 3007 CG HIS B 95 12.643 -78.423 60.083 1.00 26.73 C +ATOM 3008 ND1 HIS B 95 13.055 -79.736 60.172 1.00 28.93 N +ATOM 3009 CD2 HIS B 95 11.389 -78.390 60.597 1.00 24.31 C +ATOM 3010 CE1 HIS B 95 12.095 -80.466 60.711 1.00 21.73 C +ATOM 3011 NE2 HIS B 95 11.075 -79.671 60.977 1.00 18.85 N +ATOM 3012 H HIS B 95 15.050 -75.256 59.347 1.00 15.00 H +ATOM 3013 HD1 HIS B 95 13.928 -80.074 59.891 1.00 15.00 H +ATOM 3014 HE2 HIS B 95 10.298 -79.949 61.481 1.00 15.00 H +ATOM 3015 N GLY B 96 12.468 -75.109 62.183 1.00 31.57 N +ATOM 3016 CA GLY B 96 12.517 -75.067 63.628 1.00 44.13 C +ATOM 3017 C GLY B 96 11.428 -75.886 64.274 1.00 50.05 C +ATOM 3018 O GLY B 96 10.649 -75.366 65.081 1.00 56.46 O +ATOM 3019 H GLY B 96 11.855 -74.527 61.684 1.00 15.00 H +ATOM 3020 N GLY B 97 11.354 -77.164 63.929 1.00 43.89 N +ATOM 3021 CA GLY B 97 10.318 -77.975 64.526 1.00 51.80 C +ATOM 3022 C GLY B 97 9.961 -79.199 63.733 1.00 51.90 C +ATOM 3023 O GLY B 97 10.837 -79.914 63.266 1.00 54.51 O +ATOM 3024 H GLY B 97 12.027 -77.556 63.339 1.00 15.00 H +ATOM 3025 N TYR B 100H 8.670 -79.454 63.591 1.00 57.11 N +ATOM 3026 CA TYR B 100H 8.207 -80.613 62.847 1.00 61.99 C +ATOM 3027 C TYR B 100H 7.675 -80.073 61.531 1.00 63.76 C +ATOM 3028 O TYR B 100H 6.558 -79.564 61.471 1.00 69.07 O +ATOM 3029 CB TYR B 100H 7.099 -81.332 63.618 1.00 65.28 C +ATOM 3030 CG TYR B 100H 7.281 -81.324 65.122 1.00 70.93 C +ATOM 3031 CD1 TYR B 100H 6.767 -80.280 65.895 1.00 70.66 C +ATOM 3032 CD2 TYR B 100H 7.950 -82.365 65.776 1.00 68.14 C +ATOM 3033 CE1 TYR B 100H 6.911 -80.271 67.278 1.00 73.87 C +ATOM 3034 CE2 TYR B 100H 8.099 -82.364 67.162 1.00 70.71 C +ATOM 3035 CZ TYR B 100H 7.575 -81.313 67.906 1.00 74.29 C +ATOM 3036 OH TYR B 100H 7.704 -81.295 69.278 1.00 79.49 O +ATOM 3037 H TYR B 100H 7.998 -78.846 63.973 1.00 15.00 H +ATOM 3038 HH TYR B 100H 8.072 -82.131 69.578 1.00 15.00 H +ATOM 3039 N TYR B 100I 8.503 -80.153 60.494 1.00 58.42 N +ATOM 3040 CA TYR B 100I 8.162 -79.648 59.166 1.00 50.63 C +ATOM 3041 C TYR B 100I 7.428 -78.298 59.160 1.00 39.03 C +ATOM 3042 O TYR B 100I 6.247 -78.200 58.822 1.00 40.00 O +ATOM 3043 CB TYR B 100I 7.404 -80.712 58.372 1.00 61.86 C +ATOM 3044 CG TYR B 100I 8.290 -81.823 57.842 1.00 70.85 C +ATOM 3045 CD1 TYR B 100I 9.512 -82.121 58.448 1.00 78.90 C +ATOM 3046 CD2 TYR B 100I 7.906 -82.575 56.725 1.00 73.08 C +ATOM 3047 CE1 TYR B 100I 10.329 -83.137 57.956 1.00 88.91 C +ATOM 3048 CE2 TYR B 100I 8.710 -83.592 56.225 1.00 75.70 C +ATOM 3049 CZ TYR B 100I 9.921 -83.871 56.843 1.00 86.43 C +ATOM 3050 OH TYR B 100I 10.728 -84.881 56.356 1.00 92.11 O +ATOM 3051 H TYR B 100I 9.309 -80.678 60.580 1.00 15.00 H +ATOM 3052 HH TYR B 100I 11.463 -85.017 56.965 1.00 15.00 H +ATOM 3053 N ALA B 100J 8.156 -77.262 59.551 1.00 21.79 N +ATOM 3054 CA ALA B 100J 7.630 -75.913 59.595 1.00 17.65 C +ATOM 3055 C ALA B 100J 8.816 -74.962 59.476 1.00 24.38 C +ATOM 3056 O ALA B 100J 9.894 -75.247 60.008 1.00 43.19 O +ATOM 3057 CB ALA B 100J 6.911 -75.691 60.887 1.00 6.25 C +ATOM 3058 H ALA B 100J 9.093 -77.362 59.792 1.00 15.00 H +ATOM 3059 N MET B 100K 8.640 -73.868 58.746 1.00 17.36 N +ATOM 3060 CA MET B 100K 9.698 -72.880 58.555 1.00 13.44 C +ATOM 3061 C MET B 100K 9.503 -71.904 59.700 1.00 17.25 C +ATOM 3062 O MET B 100K 8.465 -71.246 59.773 1.00 24.93 O +ATOM 3063 CB MET B 100K 9.486 -72.114 57.241 1.00 24.15 C +ATOM 3064 CG MET B 100K 8.823 -72.886 56.095 1.00 21.49 C +ATOM 3065 SD MET B 100K 9.994 -73.656 54.962 1.00 39.80 S +ATOM 3066 CE MET B 100K 8.942 -74.844 54.163 1.00 27.86 C +ATOM 3067 H MET B 100K 7.758 -73.693 58.361 1.00 15.00 H +ATOM 3068 N ASP B 101 10.470 -71.783 60.597 1.00 19.94 N +ATOM 3069 CA ASP B 101 10.269 -70.866 61.711 1.00 31.05 C +ATOM 3070 C ASP B 101 10.887 -69.504 61.520 1.00 37.10 C +ATOM 3071 O ASP B 101 10.395 -68.511 62.066 1.00 42.08 O +ATOM 3072 CB ASP B 101 10.663 -71.493 63.065 1.00 47.35 C +ATOM 3073 CG ASP B 101 12.162 -71.756 63.216 1.00 48.78 C +ATOM 3074 OD1 ASP B 101 12.871 -71.970 62.208 1.00 54.70 O +ATOM 3075 OD2 ASP B 101 12.617 -71.792 64.382 1.00 51.90 O +ATOM 3076 H ASP B 101 11.286 -72.307 60.495 1.00 15.00 H +ATOM 3077 N TYR B 102 11.966 -69.467 60.742 1.00 43.93 N +ATOM 3078 CA TYR B 102 12.667 -68.231 60.424 1.00 43.05 C +ATOM 3079 C TYR B 102 13.017 -68.234 58.938 1.00 41.78 C +ATOM 3080 O TYR B 102 13.454 -69.252 58.386 1.00 33.82 O +ATOM 3081 CB TYR B 102 13.902 -68.053 61.310 1.00 47.05 C +ATOM 3082 CG TYR B 102 13.569 -67.519 62.692 1.00 55.40 C +ATOM 3083 CD1 TYR B 102 13.051 -66.235 62.855 1.00 62.99 C +ATOM 3084 CD2 TYR B 102 13.752 -68.299 63.832 1.00 61.25 C +ATOM 3085 CE1 TYR B 102 12.721 -65.738 64.121 1.00 65.64 C +ATOM 3086 CE2 TYR B 102 13.424 -67.812 65.103 1.00 67.03 C +ATOM 3087 CZ TYR B 102 12.911 -66.529 65.237 1.00 66.29 C +ATOM 3088 OH TYR B 102 12.606 -66.030 66.484 1.00 71.32 O +ATOM 3089 H TYR B 102 12.295 -70.298 60.348 1.00 15.00 H +ATOM 3090 HH TYR B 102 12.356 -65.105 66.398 1.00 15.00 H +ATOM 3091 N TRP B 103 12.731 -67.109 58.288 1.00 37.95 N +ATOM 3092 CA TRP B 103 12.970 -66.933 56.864 1.00 29.01 C +ATOM 3093 C TRP B 103 13.911 -65.770 56.679 1.00 31.19 C +ATOM 3094 O TRP B 103 14.045 -64.920 57.559 1.00 34.59 O +ATOM 3095 CB TRP B 103 11.681 -66.534 56.174 1.00 29.25 C +ATOM 3096 CG TRP B 103 10.513 -67.366 56.484 1.00 23.80 C +ATOM 3097 CD1 TRP B 103 9.954 -67.576 57.703 1.00 22.30 C +ATOM 3098 CD2 TRP B 103 9.711 -68.073 55.542 1.00 25.12 C +ATOM 3099 NE1 TRP B 103 8.847 -68.373 57.581 1.00 29.82 N +ATOM 3100 CE2 TRP B 103 8.673 -68.691 56.261 1.00 25.48 C +ATOM 3101 CE3 TRP B 103 9.767 -68.240 54.151 1.00 25.69 C +ATOM 3102 CZ2 TRP B 103 7.693 -69.466 55.641 1.00 21.22 C +ATOM 3103 CZ3 TRP B 103 8.793 -69.012 53.531 1.00 21.59 C +ATOM 3104 CH2 TRP B 103 7.771 -69.614 54.275 1.00 6.77 C +ATOM 3105 H TRP B 103 12.381 -66.334 58.774 1.00 15.00 H +ATOM 3106 HE1 TRP B 103 8.293 -68.692 58.326 1.00 15.00 H +ATOM 3107 N GLY B 104 14.536 -65.707 55.515 1.00 34.09 N +ATOM 3108 CA GLY B 104 15.425 -64.598 55.246 1.00 43.41 C +ATOM 3109 C GLY B 104 14.619 -63.445 54.684 1.00 47.14 C +ATOM 3110 O GLY B 104 13.396 -63.535 54.592 1.00 47.24 O +ATOM 3111 H GLY B 104 14.393 -66.412 54.854 1.00 15.00 H +ATOM 3112 N GLN B 105 15.294 -62.370 54.290 1.00 50.69 N +ATOM 3113 CA GLN B 105 14.607 -61.213 53.717 1.00 54.29 C +ATOM 3114 C GLN B 105 14.039 -61.497 52.327 1.00 47.19 C +ATOM 3115 O GLN B 105 12.956 -61.026 51.992 1.00 37.82 O +ATOM 3116 CB GLN B 105 15.535 -59.994 53.677 1.00 71.32 C +ATOM 3117 CG GLN B 105 15.716 -59.305 55.029 1.00 93.20 C +ATOM 3118 CD GLN B 105 14.410 -58.753 55.606 1.00104.00 C +ATOM 3119 OE1 GLN B 105 13.749 -59.404 56.420 1.00110.38 O +ATOM 3120 NE2 GLN B 105 14.047 -57.539 55.200 1.00106.34 N +ATOM 3121 H GLN B 105 16.256 -62.343 54.454 1.00 15.00 H +ATOM 3122 HE21 GLN B 105 13.205 -57.195 55.567 1.00 15.00 H +ATOM 3123 HE22 GLN B 105 14.619 -57.059 54.572 1.00 15.00 H +ATOM 3124 N GLY B 106 14.798 -62.234 51.519 1.00 45.91 N +ATOM 3125 CA GLY B 106 14.368 -62.591 50.178 1.00 40.47 C +ATOM 3126 C GLY B 106 15.132 -61.866 49.089 1.00 41.13 C +ATOM 3127 O GLY B 106 15.669 -60.783 49.336 1.00 43.46 O +ATOM 3128 H GLY B 106 15.688 -62.464 51.791 1.00 15.00 H +ATOM 3129 N THR B 107 15.237 -62.486 47.909 1.00 39.16 N +ATOM 3130 CA THR B 107 15.923 -61.885 46.755 1.00 31.59 C +ATOM 3131 C THR B 107 15.198 -62.206 45.451 1.00 36.95 C +ATOM 3132 O THR B 107 14.964 -63.379 45.133 1.00 38.53 O +ATOM 3133 CB THR B 107 17.379 -62.339 46.627 1.00 13.70 C +ATOM 3134 OG1 THR B 107 17.433 -63.751 46.405 1.00 15.19 O +ATOM 3135 CG2 THR B 107 18.133 -62.002 47.870 1.00 19.22 C +ATOM 3136 H THR B 107 14.894 -63.399 47.813 1.00 15.00 H +ATOM 3137 HG1 THR B 107 17.051 -63.934 45.539 1.00 15.00 H +ATOM 3138 N THR B 108 14.834 -61.163 44.705 1.00 34.08 N +ATOM 3139 CA THR B 108 14.117 -61.346 43.454 1.00 23.53 C +ATOM 3140 C THR B 108 15.000 -61.933 42.369 1.00 18.28 C +ATOM 3141 O THR B 108 16.211 -61.722 42.344 1.00 24.27 O +ATOM 3142 CB THR B 108 13.460 -60.027 42.947 1.00 25.49 C +ATOM 3143 OG1 THR B 108 12.550 -60.313 41.869 1.00 27.56 O +ATOM 3144 CG2 THR B 108 14.519 -59.042 42.462 1.00 39.89 C +ATOM 3145 H THR B 108 15.085 -60.261 44.979 1.00 15.00 H +ATOM 3146 HG1 THR B 108 13.039 -60.560 41.077 1.00 15.00 H +ATOM 3147 N VAL B 109 14.376 -62.715 41.506 1.00 10.05 N +ATOM 3148 CA VAL B 109 15.046 -63.317 40.389 1.00 20.07 C +ATOM 3149 C VAL B 109 13.983 -63.362 39.323 1.00 30.15 C +ATOM 3150 O VAL B 109 12.884 -63.887 39.543 1.00 32.61 O +ATOM 3151 CB VAL B 109 15.565 -64.738 40.702 1.00 21.07 C +ATOM 3152 CG1 VAL B 109 15.453 -65.625 39.463 1.00 11.35 C +ATOM 3153 CG2 VAL B 109 17.031 -64.675 41.168 1.00 2.00 C +ATOM 3154 H VAL B 109 13.426 -62.938 41.634 1.00 15.00 H +ATOM 3155 N THR B 110 14.284 -62.727 38.199 1.00 34.78 N +ATOM 3156 CA THR B 110 13.375 -62.694 37.075 1.00 27.99 C +ATOM 3157 C THR B 110 14.167 -63.216 35.891 1.00 24.15 C +ATOM 3158 O THR B 110 15.272 -62.742 35.636 1.00 16.43 O +ATOM 3159 CB THR B 110 12.927 -61.255 36.788 1.00 13.34 C +ATOM 3160 OG1 THR B 110 14.063 -60.488 36.402 1.00 24.88 O +ATOM 3161 CG2 THR B 110 12.351 -60.618 38.044 1.00 20.41 C +ATOM 3162 H THR B 110 15.142 -62.258 38.092 1.00 15.00 H +ATOM 3163 HG1 THR B 110 14.550 -60.898 35.678 1.00 15.00 H +ATOM 3164 N VAL B 111 13.665 -64.259 35.243 1.00 27.11 N +ATOM 3165 CA VAL B 111 14.339 -64.798 34.064 1.00 31.11 C +ATOM 3166 C VAL B 111 13.580 -64.265 32.840 1.00 37.82 C +ATOM 3167 O VAL B 111 12.361 -64.442 32.713 1.00 30.94 O +ATOM 3168 CB VAL B 111 14.418 -66.347 34.069 1.00 24.80 C +ATOM 3169 CG1 VAL B 111 15.271 -66.808 35.210 1.00 28.75 C +ATOM 3170 CG2 VAL B 111 13.060 -66.955 34.191 1.00 21.26 C +ATOM 3171 H VAL B 111 12.808 -64.657 35.511 1.00 15.00 H +ATOM 3172 N SER B 112 14.292 -63.555 31.971 1.00 41.27 N +ATOM 3173 CA SER B 112 13.653 -62.971 30.814 1.00 37.89 C +ATOM 3174 C SER B 112 14.582 -62.731 29.651 1.00 41.45 C +ATOM 3175 O SER B 112 15.760 -62.429 29.834 1.00 38.78 O +ATOM 3176 CB SER B 112 13.019 -61.646 31.211 1.00 32.09 C +ATOM 3177 OG SER B 112 12.243 -61.133 30.147 1.00 45.88 O +ATOM 3178 H SER B 112 15.254 -63.420 32.115 1.00 15.00 H +ATOM 3179 HG SER B 112 11.849 -60.301 30.429 1.00 15.00 H +ATOM 3180 N SER B 113 14.025 -62.871 28.452 1.00 46.28 N +ATOM 3181 CA SER B 113 14.741 -62.642 27.200 1.00 51.74 C +ATOM 3182 C SER B 113 14.425 -61.233 26.673 1.00 48.44 C +ATOM 3183 O SER B 113 14.227 -61.011 25.473 1.00 53.97 O +ATOM 3184 CB SER B 113 14.374 -63.718 26.166 1.00 55.94 C +ATOM 3185 OG SER B 113 13.195 -64.423 26.533 1.00 62.71 O +ATOM 3186 H SER B 113 13.128 -63.190 28.360 1.00 15.00 H +ATOM 3187 HG SER B 113 12.974 -65.014 25.806 1.00 15.00 H +ATOM 3188 N ALA B 114 14.334 -60.289 27.596 1.00 40.04 N +ATOM 3189 CA ALA B 114 14.068 -58.915 27.249 1.00 41.82 C +ATOM 3190 C ALA B 114 15.275 -58.113 27.669 1.00 52.12 C +ATOM 3191 O ALA B 114 15.980 -58.472 28.607 1.00 62.77 O +ATOM 3192 CB ALA B 114 12.853 -58.426 27.952 1.00 34.35 C +ATOM 3193 H ALA B 114 14.501 -60.503 28.536 1.00 15.00 H +ATOM 3194 N LYS B 115 15.514 -57.028 26.955 1.00 63.90 N +ATOM 3195 CA LYS B 115 16.645 -56.163 27.231 1.00 67.06 C +ATOM 3196 C LYS B 115 16.218 -55.087 28.222 1.00 66.08 C +ATOM 3197 O LYS B 115 15.044 -54.727 28.292 1.00 65.19 O +ATOM 3198 CB LYS B 115 17.173 -55.551 25.922 1.00 77.18 C +ATOM 3199 CG LYS B 115 16.141 -55.458 24.771 1.00 88.97 C +ATOM 3200 CD LYS B 115 15.981 -56.791 24.015 1.00 94.80 C +ATOM 3201 CE LYS B 115 14.715 -56.828 23.149 1.00 96.21 C +ATOM 3202 NZ LYS B 115 14.693 -55.788 22.080 1.00 94.89 N +ATOM 3203 H LYS B 115 14.851 -56.788 26.281 1.00 15.00 H +ATOM 3204 HZ1 LYS B 115 15.546 -55.891 21.492 1.00 15.00 H +ATOM 3205 HZ2 LYS B 115 13.849 -55.906 21.485 1.00 15.00 H +ATOM 3206 HZ3 LYS B 115 14.688 -54.844 22.516 1.00 15.00 H +ATOM 3207 N THR B 116 17.171 -54.615 29.013 1.00 63.82 N +ATOM 3208 CA THR B 116 16.921 -53.583 30.013 1.00 60.14 C +ATOM 3209 C THR B 116 16.611 -52.229 29.348 1.00 52.47 C +ATOM 3210 O THR B 116 17.343 -51.790 28.463 1.00 60.16 O +ATOM 3211 CB THR B 116 18.152 -53.457 30.927 1.00 60.79 C +ATOM 3212 OG1 THR B 116 18.543 -54.762 31.381 1.00 63.14 O +ATOM 3213 CG2 THR B 116 17.849 -52.589 32.123 1.00 62.91 C +ATOM 3214 H THR B 116 18.075 -54.973 28.958 1.00 15.00 H +ATOM 3215 HG1 THR B 116 19.286 -54.657 31.984 1.00 15.00 H +ATOM 3216 N THR B 117 15.542 -51.566 29.778 1.00 42.28 N +ATOM 3217 CA THR B 117 15.170 -50.281 29.203 1.00 31.36 C +ATOM 3218 C THR B 117 15.012 -49.202 30.249 1.00 26.68 C +ATOM 3219 O THR B 117 14.346 -49.405 31.263 1.00 29.75 O +ATOM 3220 CB THR B 117 13.841 -50.374 28.443 1.00 32.65 C +ATOM 3221 OG1 THR B 117 13.986 -51.284 27.345 1.00 42.31 O +ATOM 3222 CG2 THR B 117 13.396 -48.990 27.937 1.00 22.11 C +ATOM 3223 H THR B 117 14.985 -51.944 30.490 1.00 15.00 H +ATOM 3224 HG1 THR B 117 14.763 -51.059 26.829 1.00 15.00 H +ATOM 3225 N ALA B 118 15.624 -48.052 30.004 1.00 26.06 N +ATOM 3226 CA ALA B 118 15.506 -46.931 30.926 1.00 25.17 C +ATOM 3227 C ALA B 118 14.101 -46.358 30.761 1.00 30.04 C +ATOM 3228 O ALA B 118 13.549 -46.349 29.657 1.00 38.83 O +ATOM 3229 CB ALA B 118 16.549 -45.878 30.630 1.00 27.16 C +ATOM 3230 H ALA B 118 16.118 -47.936 29.171 1.00 15.00 H +ATOM 3231 N PRO B 119 13.504 -45.879 31.860 1.00 30.98 N +ATOM 3232 CA PRO B 119 12.156 -45.305 31.869 1.00 31.24 C +ATOM 3233 C PRO B 119 12.075 -43.883 31.334 1.00 32.35 C +ATOM 3234 O PRO B 119 13.096 -43.225 31.121 1.00 38.77 O +ATOM 3235 CB PRO B 119 11.819 -45.306 33.357 1.00 29.61 C +ATOM 3236 CG PRO B 119 13.132 -44.910 33.969 1.00 18.96 C +ATOM 3237 CD PRO B 119 14.108 -45.805 33.206 1.00 26.87 C +ATOM 3238 N SER B 120 10.844 -43.400 31.192 1.00 29.91 N +ATOM 3239 CA SER B 120 10.567 -42.046 30.740 1.00 21.55 C +ATOM 3240 C SER B 120 9.620 -41.506 31.802 1.00 21.16 C +ATOM 3241 O SER B 120 8.676 -42.203 32.192 1.00 27.71 O +ATOM 3242 CB SER B 120 9.879 -42.088 29.377 1.00 30.73 C +ATOM 3243 OG SER B 120 10.645 -42.834 28.439 1.00 33.39 O +ATOM 3244 H SER B 120 10.064 -43.968 31.375 1.00 15.00 H +ATOM 3245 HG SER B 120 10.747 -43.741 28.761 1.00 15.00 H +ATOM 3246 N VAL B 121 9.904 -40.308 32.314 1.00 17.11 N +ATOM 3247 CA VAL B 121 9.089 -39.691 33.372 1.00 23.49 C +ATOM 3248 C VAL B 121 8.290 -38.513 32.832 1.00 24.51 C +ATOM 3249 O VAL B 121 8.840 -37.699 32.094 1.00 41.78 O +ATOM 3250 CB VAL B 121 9.996 -39.153 34.510 1.00 28.63 C +ATOM 3251 CG1 VAL B 121 9.161 -38.758 35.735 1.00 23.46 C +ATOM 3252 CG2 VAL B 121 11.069 -40.181 34.867 1.00 20.02 C +ATOM 3253 H VAL B 121 10.662 -39.797 31.969 1.00 15.00 H +ATOM 3254 N TYR B 122 7.027 -38.376 33.229 1.00 13.29 N +ATOM 3255 CA TYR B 122 6.201 -37.269 32.738 1.00 11.25 C +ATOM 3256 C TYR B 122 5.422 -36.567 33.825 1.00 9.36 C +ATOM 3257 O TYR B 122 4.562 -37.148 34.483 1.00 10.62 O +ATOM 3258 CB TYR B 122 5.208 -37.728 31.667 1.00 13.52 C +ATOM 3259 CG TYR B 122 5.855 -38.322 30.456 1.00 15.49 C +ATOM 3260 CD1 TYR B 122 6.938 -37.697 29.845 1.00 11.61 C +ATOM 3261 CD2 TYR B 122 5.438 -39.553 29.966 1.00 18.57 C +ATOM 3262 CE1 TYR B 122 7.595 -38.291 28.779 1.00 23.54 C +ATOM 3263 CE2 TYR B 122 6.092 -40.159 28.898 1.00 20.19 C +ATOM 3264 CZ TYR B 122 7.169 -39.525 28.312 1.00 23.95 C +ATOM 3265 OH TYR B 122 7.828 -40.140 27.272 1.00 29.42 O +ATOM 3266 H TYR B 122 6.654 -39.005 33.874 1.00 15.00 H +ATOM 3267 HH TYR B 122 8.474 -39.531 26.893 1.00 15.00 H +ATOM 3268 N PRO B 123 5.704 -35.292 34.014 1.00 2.00 N +ATOM 3269 CA PRO B 123 5.037 -34.487 35.022 1.00 3.20 C +ATOM 3270 C PRO B 123 3.560 -34.297 34.721 1.00 15.02 C +ATOM 3271 O PRO B 123 3.203 -33.639 33.745 1.00 26.16 O +ATOM 3272 CB PRO B 123 5.802 -33.169 34.953 1.00 5.42 C +ATOM 3273 CG PRO B 123 6.336 -33.142 33.563 1.00 11.41 C +ATOM 3274 CD PRO B 123 6.790 -34.546 33.371 1.00 4.05 C +ATOM 3275 N LEU B 124 2.700 -34.867 35.557 1.00 10.34 N +ATOM 3276 CA LEU B 124 1.281 -34.733 35.358 1.00 2.00 C +ATOM 3277 C LEU B 124 0.755 -33.546 36.105 1.00 2.00 C +ATOM 3278 O LEU B 124 0.264 -33.689 37.206 1.00 11.59 O +ATOM 3279 CB LEU B 124 0.524 -35.973 35.830 1.00 2.01 C +ATOM 3280 CG LEU B 124 0.311 -37.128 34.855 1.00 17.14 C +ATOM 3281 CD1 LEU B 124 -0.435 -36.656 33.625 1.00 24.13 C +ATOM 3282 CD2 LEU B 124 1.639 -37.711 34.445 1.00 21.38 C +ATOM 3283 H LEU B 124 3.013 -35.364 36.339 1.00 15.00 H +ATOM 3284 N ALA B 125 0.855 -32.366 35.522 1.00 13.47 N +ATOM 3285 CA ALA B 125 0.310 -31.178 36.169 1.00 12.87 C +ATOM 3286 C ALA B 125 -1.201 -31.294 36.006 1.00 22.92 C +ATOM 3287 O ALA B 125 -1.672 -32.031 35.138 1.00 31.95 O +ATOM 3288 CB ALA B 125 0.817 -29.937 35.490 1.00 13.70 C +ATOM 3289 H ALA B 125 1.269 -32.307 34.635 1.00 15.00 H +ATOM 3290 N PRO B 126 -1.986 -30.587 36.835 1.00 24.55 N +ATOM 3291 CA PRO B 126 -3.443 -30.692 36.695 1.00 32.46 C +ATOM 3292 C PRO B 126 -3.943 -30.009 35.426 1.00 41.56 C +ATOM 3293 O PRO B 126 -3.164 -29.357 34.718 1.00 40.81 O +ATOM 3294 CB PRO B 126 -3.955 -30.010 37.964 1.00 26.98 C +ATOM 3295 CG PRO B 126 -2.960 -28.950 38.185 1.00 26.79 C +ATOM 3296 CD PRO B 126 -1.631 -29.623 37.887 1.00 19.79 C +ATOM 3297 N VAL B 127 -5.243 -30.142 35.158 1.00 47.72 N +ATOM 3298 CA VAL B 127 -5.858 -29.560 33.964 1.00 50.08 C +ATOM 3299 C VAL B 127 -5.703 -28.056 33.828 1.00 57.89 C +ATOM 3300 O VAL B 127 -5.812 -27.321 34.812 1.00 50.45 O +ATOM 3301 CB VAL B 127 -7.356 -29.908 33.844 1.00 42.39 C +ATOM 3302 CG1 VAL B 127 -7.516 -31.378 33.535 1.00 44.09 C +ATOM 3303 CG2 VAL B 127 -8.106 -29.529 35.115 1.00 35.16 C +ATOM 3304 H VAL B 127 -5.800 -30.632 35.794 1.00 15.00 H +ATOM 3305 N CYS B 128 -5.479 -27.623 32.585 1.00 70.87 N +ATOM 3306 CA CYS B 128 -5.308 -26.215 32.225 1.00 80.34 C +ATOM 3307 C CYS B 128 -6.448 -25.418 32.840 1.00 83.70 C +ATOM 3308 O CYS B 128 -6.261 -24.289 33.287 1.00 80.56 O +ATOM 3309 CB CYS B 128 -5.346 -26.072 30.705 1.00 87.85 C +ATOM 3310 SG CYS B 128 -4.245 -24.811 29.988 1.00 97.48 S +ATOM 3311 H CYS B 128 -5.389 -28.295 31.881 1.00 15.00 H +ATOM 3312 N GLY B 129 -7.641 -26.005 32.812 1.00 91.81 N +ATOM 3313 CA GLY B 129 -8.791 -25.369 33.417 1.00104.69 C +ATOM 3314 C GLY B 129 -8.544 -25.525 34.904 1.00113.58 C +ATOM 3315 O GLY B 129 -9.031 -26.465 35.531 1.00115.11 O +ATOM 3316 H GLY B 129 -7.746 -26.885 32.412 1.00 15.00 H +ATOM 3317 N ASP B 130 -7.718 -24.631 35.437 1.00121.71 N +ATOM 3318 CA ASP B 130 -7.320 -24.619 36.839 1.00131.24 C +ATOM 3319 C ASP B 130 -8.448 -24.921 37.824 1.00136.18 C +ATOM 3320 O ASP B 130 -9.138 -24.013 38.298 1.00134.39 O +ATOM 3321 CB ASP B 130 -6.679 -23.266 37.182 1.00134.49 C +ATOM 3322 CG ASP B 130 -5.647 -22.820 36.148 1.00136.33 C +ATOM 3323 OD1 ASP B 130 -4.759 -23.623 35.789 1.00139.36 O +ATOM 3324 OD2 ASP B 130 -5.726 -21.659 35.693 1.00138.39 O +ATOM 3325 H ASP B 130 -7.358 -23.943 34.840 1.00 15.00 H +ATOM 3326 N THR B 133 -8.629 -26.205 38.121 1.00143.36 N +ATOM 3327 CA THR B 133 -9.649 -26.658 39.059 1.00149.24 C +ATOM 3328 C THR B 133 -9.189 -26.303 40.474 1.00150.26 C +ATOM 3329 O THR B 133 -8.697 -27.165 41.212 1.00153.25 O +ATOM 3330 CB THR B 133 -9.853 -28.197 38.960 1.00151.13 C +ATOM 3331 OG1 THR B 133 -8.583 -28.861 39.034 1.00151.10 O +ATOM 3332 CG2 THR B 133 -10.543 -28.570 37.658 1.00152.81 C +ATOM 3333 H THR B 133 -8.083 -26.888 37.676 1.00 15.00 H +ATOM 3334 HG1 THR B 133 -8.249 -28.700 39.929 1.00 15.00 H +ATOM 3335 N THR B 134 -9.299 -25.027 40.834 1.00147.82 N +ATOM 3336 CA THR B 134 -8.872 -24.589 42.155 1.00141.69 C +ATOM 3337 C THR B 134 -9.866 -25.039 43.228 1.00135.36 C +ATOM 3338 O THR B 134 -11.056 -25.231 42.953 1.00135.64 O +ATOM 3339 CB THR B 134 -8.626 -23.055 42.200 1.00142.92 C +ATOM 3340 OG1 THR B 134 -7.796 -22.733 43.326 1.00142.65 O +ATOM 3341 CG2 THR B 134 -9.941 -22.289 42.294 1.00144.28 C +ATOM 3342 H THR B 134 -9.685 -24.382 40.206 1.00 15.00 H +ATOM 3343 HG1 THR B 134 -7.610 -21.789 43.321 1.00 15.00 H +ATOM 3344 N GLY B 135 -9.351 -25.252 44.435 1.00126.45 N +ATOM 3345 CA GLY B 135 -10.176 -25.695 45.545 1.00114.96 C +ATOM 3346 C GLY B 135 -9.344 -25.805 46.807 1.00102.85 C +ATOM 3347 O GLY B 135 -9.148 -24.823 47.513 1.00103.45 O +ATOM 3348 H GLY B 135 -8.402 -25.058 44.583 1.00 15.00 H +ATOM 3349 N SER B 136 -8.843 -27.000 47.087 1.00 91.68 N +ATOM 3350 CA SER B 136 -8.009 -27.222 48.261 1.00 77.37 C +ATOM 3351 C SER B 136 -7.141 -28.452 48.029 1.00 65.87 C +ATOM 3352 O SER B 136 -5.938 -28.424 48.266 1.00 65.89 O +ATOM 3353 CB SER B 136 -8.867 -27.391 49.519 1.00 77.56 C +ATOM 3354 OG SER B 136 -8.063 -27.425 50.686 1.00 76.20 O +ATOM 3355 H SER B 136 -9.030 -27.739 46.476 1.00 15.00 H +ATOM 3356 HG SER B 136 -8.641 -27.394 51.454 1.00 15.00 H +ATOM 3357 N SER B 137 -7.749 -29.512 47.515 1.00 53.96 N +ATOM 3358 CA SER B 137 -7.039 -30.746 47.242 1.00 45.85 C +ATOM 3359 C SER B 137 -6.422 -30.710 45.846 1.00 43.27 C +ATOM 3360 O SER B 137 -6.959 -31.294 44.894 1.00 52.40 O +ATOM 3361 CB SER B 137 -8.004 -31.925 47.379 1.00 51.87 C +ATOM 3362 OG SER B 137 -8.843 -31.748 48.512 1.00 58.02 O +ATOM 3363 H SER B 137 -8.709 -29.516 47.340 1.00 15.00 H +ATOM 3364 HG SER B 137 -8.285 -31.767 49.297 1.00 15.00 H +ATOM 3365 N VAL B 138 -5.290 -30.027 45.724 1.00 29.68 N +ATOM 3366 CA VAL B 138 -4.608 -29.921 44.442 1.00 30.24 C +ATOM 3367 C VAL B 138 -3.791 -31.176 44.141 1.00 26.48 C +ATOM 3368 O VAL B 138 -2.570 -31.159 44.230 1.00 39.98 O +ATOM 3369 CB VAL B 138 -3.669 -28.722 44.437 1.00 34.12 C +ATOM 3370 CG1 VAL B 138 -3.036 -28.546 43.059 1.00 45.15 C +ATOM 3371 CG2 VAL B 138 -4.424 -27.481 44.851 1.00 54.36 C +ATOM 3372 H VAL B 138 -4.911 -29.600 46.529 1.00 15.00 H +ATOM 3373 N THR B 139 -4.450 -32.274 43.807 1.00 13.97 N +ATOM 3374 CA THR B 139 -3.716 -33.492 43.522 1.00 13.12 C +ATOM 3375 C THR B 139 -2.891 -33.404 42.248 1.00 18.39 C +ATOM 3376 O THR B 139 -3.332 -32.824 41.258 1.00 31.00 O +ATOM 3377 CB THR B 139 -4.629 -34.702 43.456 1.00 9.14 C +ATOM 3378 OG1 THR B 139 -3.968 -35.758 42.748 1.00 17.45 O +ATOM 3379 CG2 THR B 139 -5.931 -34.349 42.786 1.00 38.82 C +ATOM 3380 H THR B 139 -5.424 -32.225 43.741 1.00 15.00 H +ATOM 3381 HG1 THR B 139 -3.148 -35.993 43.198 1.00 15.00 H +ATOM 3382 N LEU B 140 -1.682 -33.961 42.291 1.00 14.02 N +ATOM 3383 CA LEU B 140 -0.769 -33.964 41.154 1.00 14.85 C +ATOM 3384 C LEU B 140 -0.327 -35.382 40.976 1.00 18.29 C +ATOM 3385 O LEU B 140 -0.733 -36.256 41.744 1.00 28.60 O +ATOM 3386 CB LEU B 140 0.493 -33.169 41.460 1.00 16.32 C +ATOM 3387 CG LEU B 140 0.403 -31.749 42.001 1.00 28.30 C +ATOM 3388 CD1 LEU B 140 1.794 -31.182 42.065 1.00 16.57 C +ATOM 3389 CD2 LEU B 140 -0.473 -30.874 41.116 1.00 33.01 C +ATOM 3390 H LEU B 140 -1.366 -34.403 43.070 1.00 15.00 H +ATOM 3391 N GLY B 141 0.575 -35.599 40.023 1.00 10.48 N +ATOM 3392 CA GLY B 141 1.077 -36.934 39.787 1.00 3.01 C +ATOM 3393 C GLY B 141 2.140 -36.960 38.715 1.00 9.99 C +ATOM 3394 O GLY B 141 2.430 -35.926 38.110 1.00 12.72 O +ATOM 3395 H GLY B 141 0.894 -34.879 39.435 1.00 15.00 H +ATOM 3396 N CYS B 142 2.795 -38.103 38.545 1.00 3.83 N +ATOM 3397 CA CYS B 142 3.786 -38.233 37.497 1.00 18.98 C +ATOM 3398 C CYS B 142 3.778 -39.655 36.981 1.00 20.03 C +ATOM 3399 O CYS B 142 3.573 -40.605 37.733 1.00 22.35 O +ATOM 3400 CB CYS B 142 5.176 -37.768 37.928 1.00 28.17 C +ATOM 3401 SG CYS B 142 5.909 -38.603 39.353 1.00 43.61 S +ATOM 3402 H CYS B 142 2.611 -38.874 39.126 1.00 15.00 H +ATOM 3403 N LEU B 143 3.851 -39.770 35.666 1.00 16.78 N +ATOM 3404 CA LEU B 143 3.801 -41.053 35.014 1.00 14.33 C +ATOM 3405 C LEU B 143 5.207 -41.478 34.739 1.00 14.64 C +ATOM 3406 O LEU B 143 6.044 -40.643 34.396 1.00 21.61 O +ATOM 3407 CB LEU B 143 3.029 -40.935 33.706 1.00 13.40 C +ATOM 3408 CG LEU B 143 2.725 -42.249 33.006 1.00 9.42 C +ATOM 3409 CD1 LEU B 143 1.608 -42.963 33.730 1.00 19.97 C +ATOM 3410 CD2 LEU B 143 2.305 -41.954 31.610 1.00 3.84 C +ATOM 3411 H LEU B 143 3.964 -38.964 35.122 1.00 15.00 H +ATOM 3412 N VAL B 144 5.468 -42.765 34.924 1.00 9.82 N +ATOM 3413 CA VAL B 144 6.788 -43.349 34.696 1.00 18.57 C +ATOM 3414 C VAL B 144 6.456 -44.448 33.745 1.00 25.49 C +ATOM 3415 O VAL B 144 5.919 -45.488 34.147 1.00 33.38 O +ATOM 3416 CB VAL B 144 7.373 -44.028 35.956 1.00 27.08 C +ATOM 3417 CG1 VAL B 144 8.758 -44.604 35.630 1.00 15.66 C +ATOM 3418 CG2 VAL B 144 7.442 -43.050 37.131 1.00 16.67 C +ATOM 3419 H VAL B 144 4.753 -43.358 35.216 1.00 15.00 H +ATOM 3420 N LYS B 145 6.816 -44.259 32.492 1.00 28.01 N +ATOM 3421 CA LYS B 145 6.450 -45.236 31.497 1.00 27.95 C +ATOM 3422 C LYS B 145 7.606 -45.868 30.765 1.00 20.90 C +ATOM 3423 O LYS B 145 8.625 -45.227 30.516 1.00 19.94 O +ATOM 3424 CB LYS B 145 5.503 -44.553 30.502 1.00 31.98 C +ATOM 3425 CG LYS B 145 4.869 -45.458 29.476 1.00 50.67 C +ATOM 3426 CD LYS B 145 4.087 -44.653 28.443 1.00 62.25 C +ATOM 3427 CE LYS B 145 3.443 -45.550 27.388 1.00 66.83 C +ATOM 3428 NZ LYS B 145 2.419 -46.460 27.983 1.00 71.08 N +ATOM 3429 H LYS B 145 7.341 -43.479 32.233 1.00 15.00 H +ATOM 3430 HZ1 LYS B 145 2.866 -47.062 28.705 1.00 15.00 H +ATOM 3431 HZ2 LYS B 145 1.658 -45.900 28.417 1.00 15.00 H +ATOM 3432 HZ3 LYS B 145 2.022 -47.063 27.234 1.00 15.00 H +ATOM 3433 N GLY B 146 7.431 -47.147 30.461 1.00 20.88 N +ATOM 3434 CA GLY B 146 8.400 -47.906 29.697 1.00 25.72 C +ATOM 3435 C GLY B 146 9.749 -48.180 30.301 1.00 25.64 C +ATOM 3436 O GLY B 146 10.749 -47.646 29.831 1.00 32.72 O +ATOM 3437 H GLY B 146 6.626 -47.594 30.798 1.00 15.00 H +ATOM 3438 N TYR B 147 9.783 -49.059 31.297 1.00 24.06 N +ATOM 3439 CA TYR B 147 11.034 -49.417 31.948 1.00 25.95 C +ATOM 3440 C TYR B 147 11.081 -50.898 32.239 1.00 33.11 C +ATOM 3441 O TYR B 147 10.038 -51.532 32.376 1.00 37.50 O +ATOM 3442 CB TYR B 147 11.240 -48.625 33.244 1.00 19.33 C +ATOM 3443 CG TYR B 147 10.276 -48.928 34.374 1.00 20.43 C +ATOM 3444 CD1 TYR B 147 10.430 -50.062 35.171 1.00 21.45 C +ATOM 3445 CD2 TYR B 147 9.235 -48.056 34.673 1.00 24.22 C +ATOM 3446 CE1 TYR B 147 9.577 -50.309 36.229 1.00 15.16 C +ATOM 3447 CE2 TYR B 147 8.382 -48.294 35.723 1.00 20.12 C +ATOM 3448 CZ TYR B 147 8.559 -49.416 36.498 1.00 27.04 C +ATOM 3449 OH TYR B 147 7.734 -49.618 37.571 1.00 35.23 O +ATOM 3450 H TYR B 147 8.949 -49.466 31.608 1.00 15.00 H +ATOM 3451 HH TYR B 147 7.187 -48.839 37.701 1.00 15.00 H +ATOM 3452 N PHE B 148 12.291 -51.443 32.328 1.00 36.40 N +ATOM 3453 CA PHE B 148 12.479 -52.858 32.616 1.00 44.77 C +ATOM 3454 C PHE B 148 13.873 -53.091 33.208 1.00 50.66 C +ATOM 3455 O PHE B 148 14.850 -52.495 32.754 1.00 60.75 O +ATOM 3456 CB PHE B 148 12.295 -53.675 31.342 1.00 39.09 C +ATOM 3457 CG PHE B 148 12.356 -55.152 31.557 1.00 43.79 C +ATOM 3458 CD1 PHE B 148 13.578 -55.820 31.538 1.00 46.16 C +ATOM 3459 CD2 PHE B 148 11.192 -55.882 31.761 1.00 44.86 C +ATOM 3460 CE1 PHE B 148 13.642 -57.187 31.715 1.00 44.03 C +ATOM 3461 CE2 PHE B 148 11.239 -57.254 31.940 1.00 48.52 C +ATOM 3462 CZ PHE B 148 12.470 -57.909 31.917 1.00 53.95 C +ATOM 3463 H PHE B 148 13.082 -50.885 32.161 1.00 15.00 H +ATOM 3464 N PRO B 149 13.973 -53.909 34.272 1.00 41.88 N +ATOM 3465 CA PRO B 149 12.846 -54.585 34.907 1.00 34.12 C +ATOM 3466 C PRO B 149 12.530 -53.889 36.216 1.00 30.01 C +ATOM 3467 O PRO B 149 13.034 -52.793 36.481 1.00 19.31 O +ATOM 3468 CB PRO B 149 13.413 -55.969 35.163 1.00 28.43 C +ATOM 3469 CG PRO B 149 14.779 -55.633 35.649 1.00 37.39 C +ATOM 3470 CD PRO B 149 15.241 -54.470 34.766 1.00 37.38 C +ATOM 3471 N GLU B 150 11.687 -54.523 37.022 1.00 32.96 N +ATOM 3472 CA GLU B 150 11.336 -53.973 38.313 1.00 34.95 C +ATOM 3473 C GLU B 150 12.617 -53.995 39.145 1.00 40.15 C +ATOM 3474 O GLU B 150 13.469 -54.864 38.963 1.00 43.13 O +ATOM 3475 CB GLU B 150 10.240 -54.819 38.959 1.00 37.79 C +ATOM 3476 CG GLU B 150 8.821 -54.380 38.624 1.00 27.55 C +ATOM 3477 CD GLU B 150 8.380 -53.190 39.449 1.00 40.82 C +ATOM 3478 OE1 GLU B 150 8.917 -52.082 39.247 1.00 47.33 O +ATOM 3479 OE2 GLU B 150 7.497 -53.362 40.314 1.00 54.39 O +ATOM 3480 H GLU B 150 11.316 -55.390 36.768 1.00 15.00 H +ATOM 3481 N PRO B 151 12.769 -53.045 40.070 1.00 42.32 N +ATOM 3482 CA PRO B 151 11.804 -51.983 40.348 1.00 39.82 C +ATOM 3483 C PRO B 151 12.408 -50.614 40.132 1.00 31.41 C +ATOM 3484 O PRO B 151 13.529 -50.491 39.643 1.00 32.35 O +ATOM 3485 CB PRO B 151 11.539 -52.188 41.825 1.00 52.81 C +ATOM 3486 CG PRO B 151 12.960 -52.460 42.343 1.00 53.92 C +ATOM 3487 CD PRO B 151 13.680 -53.224 41.214 1.00 46.00 C +ATOM 3488 N VAL B 152 11.662 -49.592 40.531 1.00 25.59 N +ATOM 3489 CA VAL B 152 12.112 -48.212 40.425 1.00 25.38 C +ATOM 3490 C VAL B 152 11.739 -47.550 41.735 1.00 28.81 C +ATOM 3491 O VAL B 152 10.844 -48.028 42.450 1.00 31.24 O +ATOM 3492 CB VAL B 152 11.425 -47.448 39.273 1.00 30.05 C +ATOM 3493 CG1 VAL B 152 11.711 -48.120 37.964 1.00 40.35 C +ATOM 3494 CG2 VAL B 152 9.929 -47.371 39.491 1.00 31.43 C +ATOM 3495 H VAL B 152 10.788 -49.732 40.954 1.00 15.00 H +ATOM 3496 N THR B 153 12.416 -46.460 42.064 1.00 24.18 N +ATOM 3497 CA THR B 153 12.102 -45.781 43.306 1.00 26.63 C +ATOM 3498 C THR B 153 11.581 -44.414 42.963 1.00 26.17 C +ATOM 3499 O THR B 153 12.275 -43.618 42.334 1.00 32.43 O +ATOM 3500 CB THR B 153 13.319 -45.660 44.235 1.00 20.39 C +ATOM 3501 OG1 THR B 153 13.936 -46.943 44.379 1.00 24.48 O +ATOM 3502 CG2 THR B 153 12.883 -45.194 45.609 1.00 22.86 C +ATOM 3503 H THR B 153 13.105 -46.101 41.466 1.00 15.00 H +ATOM 3504 HG1 THR B 153 14.233 -47.257 43.521 1.00 15.00 H +ATOM 3505 N LEU B 154 10.321 -44.187 43.299 1.00 21.04 N +ATOM 3506 CA LEU B 154 9.695 -42.909 43.029 1.00 24.91 C +ATOM 3507 C LEU B 154 9.438 -42.242 44.346 1.00 26.45 C +ATOM 3508 O LEU B 154 8.746 -42.784 45.202 1.00 32.34 O +ATOM 3509 CB LEU B 154 8.375 -43.080 42.283 1.00 21.50 C +ATOM 3510 CG LEU B 154 7.833 -41.798 41.647 1.00 15.25 C +ATOM 3511 CD1 LEU B 154 6.793 -42.160 40.610 1.00 18.97 C +ATOM 3512 CD2 LEU B 154 7.268 -40.838 42.687 1.00 17.53 C +ATOM 3513 H LEU B 154 9.800 -44.877 43.757 1.00 15.00 H +ATOM 3514 N THR B 156 9.934 -41.029 44.471 1.00 27.13 N +ATOM 3515 CA THR B 156 9.788 -40.270 45.687 1.00 31.96 C +ATOM 3516 C THR B 156 9.492 -38.829 45.305 1.00 33.25 C +ATOM 3517 O THR B 156 9.979 -38.337 44.292 1.00 38.28 O +ATOM 3518 CB THR B 156 11.092 -40.369 46.523 1.00 31.42 C +ATOM 3519 OG1 THR B 156 11.189 -39.256 47.420 1.00 46.03 O +ATOM 3520 CG2 THR B 156 12.324 -40.409 45.615 1.00 35.58 C +ATOM 3521 H THR B 156 10.397 -40.603 43.741 1.00 15.00 H +ATOM 3522 HG1 THR B 156 10.598 -39.413 48.166 1.00 15.00 H +ATOM 3523 N TRP B 157 8.642 -38.178 46.085 1.00 31.11 N +ATOM 3524 CA TRP B 157 8.282 -36.794 45.839 1.00 25.62 C +ATOM 3525 C TRP B 157 9.179 -35.880 46.645 1.00 33.95 C +ATOM 3526 O TRP B 157 9.333 -36.065 47.852 1.00 39.77 O +ATOM 3527 CB TRP B 157 6.833 -36.560 46.222 1.00 18.98 C +ATOM 3528 CG TRP B 157 5.908 -37.273 45.310 1.00 24.05 C +ATOM 3529 CD1 TRP B 157 5.397 -38.525 45.474 1.00 16.70 C +ATOM 3530 CD2 TRP B 157 5.428 -36.803 44.046 1.00 26.58 C +ATOM 3531 NE1 TRP B 157 4.642 -38.868 44.388 1.00 22.57 N +ATOM 3532 CE2 TRP B 157 4.641 -37.826 43.496 1.00 27.14 C +ATOM 3533 CE3 TRP B 157 5.595 -35.616 43.321 1.00 28.46 C +ATOM 3534 CZ2 TRP B 157 4.020 -37.700 42.254 1.00 32.46 C +ATOM 3535 CZ3 TRP B 157 4.982 -35.495 42.093 1.00 25.34 C +ATOM 3536 CH2 TRP B 157 4.205 -36.529 41.572 1.00 27.72 C +ATOM 3537 H TRP B 157 8.250 -38.619 46.865 1.00 15.00 H +ATOM 3538 HE1 TRP B 157 4.197 -39.735 44.243 1.00 15.00 H +ATOM 3539 N ASN B 162 9.783 -34.904 45.970 1.00 35.70 N +ATOM 3540 CA ASN B 162 10.681 -33.946 46.609 1.00 31.03 C +ATOM 3541 C ASN B 162 11.770 -34.624 47.451 1.00 35.58 C +ATOM 3542 O ASN B 162 11.930 -34.338 48.638 1.00 34.06 O +ATOM 3543 CB ASN B 162 9.885 -32.957 47.461 1.00 28.55 C +ATOM 3544 CG ASN B 162 9.550 -31.674 46.723 1.00 27.27 C +ATOM 3545 OD1 ASN B 162 8.781 -30.861 47.221 1.00 34.32 O +ATOM 3546 ND2 ASN B 162 10.130 -31.477 45.547 1.00 32.89 N +ATOM 3547 H ASN B 162 9.589 -34.836 45.007 1.00 15.00 H +ATOM 3548 HD21 ASN B 162 9.887 -30.609 45.165 1.00 15.00 H +ATOM 3549 HD22 ASN B 162 10.750 -32.096 45.109 1.00 15.00 H +ATOM 3550 N SER B 163 12.436 -35.610 46.861 1.00 37.82 N +ATOM 3551 CA SER B 163 13.520 -36.315 47.531 1.00 35.50 C +ATOM 3552 C SER B 163 13.130 -37.045 48.820 1.00 29.63 C +ATOM 3553 O SER B 163 13.967 -37.672 49.473 1.00 30.22 O +ATOM 3554 CB SER B 163 14.648 -35.321 47.808 1.00 36.64 C +ATOM 3555 OG SER B 163 15.026 -34.651 46.612 1.00 45.05 O +ATOM 3556 H SER B 163 12.217 -35.870 45.953 1.00 15.00 H +ATOM 3557 HG SER B 163 15.338 -35.285 45.958 1.00 15.00 H +ATOM 3558 N GLY B 164 11.854 -36.999 49.161 1.00 24.00 N +ATOM 3559 CA GLY B 164 11.404 -37.654 50.368 1.00 18.25 C +ATOM 3560 C GLY B 164 10.756 -36.635 51.281 1.00 17.00 C +ATOM 3561 O GLY B 164 9.946 -36.996 52.136 1.00 21.12 O +ATOM 3562 H GLY B 164 11.182 -36.537 48.628 1.00 15.00 H +ATOM 3563 N SER B 165 11.090 -35.361 51.097 1.00 2.65 N +ATOM 3564 CA SER B 165 10.529 -34.316 51.930 1.00 17.88 C +ATOM 3565 C SER B 165 9.006 -34.355 52.008 1.00 22.29 C +ATOM 3566 O SER B 165 8.417 -33.980 53.025 1.00 31.93 O +ATOM 3567 CB SER B 165 11.006 -32.958 51.447 1.00 25.12 C +ATOM 3568 OG SER B 165 12.416 -32.886 51.553 1.00 50.01 O +ATOM 3569 H SER B 165 11.740 -35.104 50.411 1.00 15.00 H +ATOM 3570 HG SER B 165 12.671 -32.998 52.477 1.00 15.00 H +ATOM 3571 N LEU B 166 8.377 -34.826 50.940 1.00 24.50 N +ATOM 3572 CA LEU B 166 6.928 -34.926 50.882 1.00 23.83 C +ATOM 3573 C LEU B 166 6.563 -36.395 50.856 1.00 27.59 C +ATOM 3574 O LEU B 166 7.000 -37.143 49.970 1.00 36.39 O +ATOM 3575 CB LEU B 166 6.381 -34.221 49.639 1.00 19.99 C +ATOM 3576 CG LEU B 166 4.861 -34.023 49.633 1.00 19.48 C +ATOM 3577 CD1 LEU B 166 4.356 -33.475 50.966 1.00 23.60 C +ATOM 3578 CD2 LEU B 166 4.478 -33.093 48.525 1.00 18.84 C +ATOM 3579 H LEU B 166 8.879 -35.167 50.168 1.00 15.00 H +ATOM 3580 N SER B 167 5.769 -36.807 51.833 1.00 27.72 N +ATOM 3581 CA SER B 167 5.365 -38.198 51.946 1.00 31.77 C +ATOM 3582 C SER B 167 3.948 -38.290 52.471 1.00 39.19 C +ATOM 3583 O SER B 167 3.386 -39.379 52.570 1.00 41.21 O +ATOM 3584 CB SER B 167 6.308 -38.897 52.915 1.00 40.10 C +ATOM 3585 OG SER B 167 6.506 -38.091 54.077 1.00 57.35 O +ATOM 3586 H SER B 167 5.523 -36.176 52.536 1.00 15.00 H +ATOM 3587 HG SER B 167 7.186 -38.527 54.602 1.00 15.00 H +ATOM 3588 N SER B 168 3.385 -37.141 52.833 1.00 41.61 N +ATOM 3589 CA SER B 168 2.026 -37.066 53.353 1.00 42.21 C +ATOM 3590 C SER B 168 1.032 -36.816 52.205 1.00 42.28 C +ATOM 3591 O SER B 168 1.056 -35.755 51.577 1.00 45.20 O +ATOM 3592 CB SER B 168 1.946 -35.933 54.389 1.00 45.56 C +ATOM 3593 OG SER B 168 0.720 -35.930 55.106 1.00 54.75 O +ATOM 3594 H SER B 168 3.868 -36.297 52.736 1.00 15.00 H +ATOM 3595 HG SER B 168 0.701 -35.167 55.693 1.00 15.00 H +ATOM 3596 N GLY B 169 0.193 -37.808 51.909 1.00 34.50 N +ATOM 3597 CA GLY B 169 -0.798 -37.658 50.855 1.00 25.64 C +ATOM 3598 C GLY B 169 -0.390 -38.183 49.493 1.00 19.93 C +ATOM 3599 O GLY B 169 -1.002 -37.838 48.477 1.00 31.24 O +ATOM 3600 H GLY B 169 0.242 -38.644 52.415 1.00 15.00 H +ATOM 3601 N VAL B 171 0.627 -39.035 49.471 1.00 9.13 N +ATOM 3602 CA VAL B 171 1.144 -39.624 48.241 1.00 2.00 C +ATOM 3603 C VAL B 171 0.582 -41.014 48.055 1.00 3.89 C +ATOM 3604 O VAL B 171 0.069 -41.603 48.994 1.00 20.53 O +ATOM 3605 CB VAL B 171 2.666 -39.733 48.302 1.00 2.00 C +ATOM 3606 CG1 VAL B 171 3.227 -40.414 47.058 1.00 7.88 C +ATOM 3607 CG2 VAL B 171 3.265 -38.361 48.472 1.00 5.74 C +ATOM 3608 H VAL B 171 1.038 -39.318 50.312 1.00 15.00 H +ATOM 3609 N HIS B 172 0.603 -41.498 46.820 1.00 16.87 N +ATOM 3610 CA HIS B 172 0.137 -42.840 46.469 1.00 18.00 C +ATOM 3611 C HIS B 172 1.021 -43.303 45.334 1.00 25.67 C +ATOM 3612 O HIS B 172 1.313 -42.524 44.415 1.00 27.79 O +ATOM 3613 CB HIS B 172 -1.277 -42.818 45.933 1.00 6.23 C +ATOM 3614 CG HIS B 172 -2.332 -42.823 46.984 1.00 11.03 C +ATOM 3615 ND1 HIS B 172 -2.877 -41.666 47.493 1.00 23.28 N +ATOM 3616 CD2 HIS B 172 -3.013 -43.843 47.554 1.00 13.51 C +ATOM 3617 CE1 HIS B 172 -3.855 -41.969 48.325 1.00 14.67 C +ATOM 3618 NE2 HIS B 172 -3.959 -43.284 48.380 1.00 23.39 N +ATOM 3619 H HIS B 172 0.930 -40.931 46.083 1.00 15.00 H +ATOM 3620 HD1 HIS B 172 -2.585 -40.756 47.265 1.00 15.00 H +ATOM 3621 HE2 HIS B 172 -4.640 -43.771 48.890 1.00 15.00 H +ATOM 3622 N THR B 173 1.459 -44.554 45.395 1.00 23.93 N +ATOM 3623 CA THR B 173 2.299 -45.107 44.345 1.00 23.61 C +ATOM 3624 C THR B 173 1.616 -46.382 43.895 1.00 25.40 C +ATOM 3625 O THR B 173 1.302 -47.241 44.711 1.00 31.48 O +ATOM 3626 CB THR B 173 3.713 -45.386 44.842 1.00 20.50 C +ATOM 3627 OG1 THR B 173 4.355 -44.138 45.151 1.00 13.09 O +ATOM 3628 CG2 THR B 173 4.513 -46.124 43.773 1.00 24.67 C +ATOM 3629 H THR B 173 1.242 -45.146 46.145 1.00 15.00 H +ATOM 3630 HG1 THR B 173 5.316 -44.210 45.076 1.00 15.00 H +ATOM 3631 N PHE B 174 1.356 -46.475 42.595 1.00 23.77 N +ATOM 3632 CA PHE B 174 0.645 -47.602 42.019 1.00 15.86 C +ATOM 3633 C PHE B 174 1.534 -48.721 41.518 1.00 16.15 C +ATOM 3634 O PHE B 174 2.522 -48.487 40.809 1.00 22.00 O +ATOM 3635 CB PHE B 174 -0.309 -47.100 40.916 1.00 21.85 C +ATOM 3636 CG PHE B 174 -1.320 -46.074 41.407 1.00 4.42 C +ATOM 3637 CD1 PHE B 174 -0.999 -44.724 41.452 1.00 7.62 C +ATOM 3638 CD2 PHE B 174 -2.556 -46.474 41.903 1.00 2.00 C +ATOM 3639 CE1 PHE B 174 -1.891 -43.788 41.999 1.00 9.27 C +ATOM 3640 CE2 PHE B 174 -3.447 -45.550 42.449 1.00 2.00 C +ATOM 3641 CZ PHE B 174 -3.109 -44.203 42.498 1.00 4.14 C +ATOM 3642 H PHE B 174 1.665 -45.777 41.976 1.00 15.00 H +ATOM 3643 N PRO B 175 1.188 -49.967 41.878 1.00 12.84 N +ATOM 3644 CA PRO B 175 1.983 -51.118 41.456 1.00 5.30 C +ATOM 3645 C PRO B 175 2.121 -51.196 39.964 1.00 8.99 C +ATOM 3646 O PRO B 175 1.136 -51.272 39.236 1.00 19.44 O +ATOM 3647 CB PRO B 175 1.236 -52.307 42.057 1.00 2.00 C +ATOM 3648 CG PRO B 175 -0.135 -51.784 42.320 1.00 9.79 C +ATOM 3649 CD PRO B 175 0.083 -50.381 42.752 1.00 2.00 C +ATOM 3650 N ALA B 176 3.371 -51.078 39.531 1.00 21.40 N +ATOM 3651 CA ALA B 176 3.754 -51.134 38.132 1.00 18.41 C +ATOM 3652 C ALA B 176 3.139 -52.323 37.431 1.00 22.38 C +ATOM 3653 O ALA B 176 2.981 -53.396 38.025 1.00 21.33 O +ATOM 3654 CB ALA B 176 5.248 -51.206 38.023 1.00 18.68 C +ATOM 3655 H ALA B 176 4.069 -50.941 40.200 1.00 15.00 H +ATOM 3656 N VAL B 177 2.804 -52.127 36.159 1.00 31.21 N +ATOM 3657 CA VAL B 177 2.196 -53.179 35.354 1.00 40.57 C +ATOM 3658 C VAL B 177 3.012 -53.510 34.098 1.00 40.76 C +ATOM 3659 O VAL B 177 3.583 -52.616 33.445 1.00 34.77 O +ATOM 3660 CB VAL B 177 0.761 -52.811 34.958 1.00 44.35 C +ATOM 3661 CG1 VAL B 177 0.087 -54.000 34.271 1.00 49.73 C +ATOM 3662 CG2 VAL B 177 -0.031 -52.367 36.199 1.00 47.44 C +ATOM 3663 H VAL B 177 2.962 -51.245 35.761 1.00 15.00 H +ATOM 3664 N LEU B 178 3.059 -54.803 33.779 1.00 41.47 N +ATOM 3665 CA LEU B 178 3.808 -55.313 32.637 1.00 48.95 C +ATOM 3666 C LEU B 178 3.056 -55.229 31.318 1.00 54.34 C +ATOM 3667 O LEU B 178 2.280 -56.121 30.969 1.00 57.64 O +ATOM 3668 CB LEU B 178 4.234 -56.762 32.888 1.00 48.80 C +ATOM 3669 CG LEU B 178 5.223 -57.349 31.875 1.00 48.59 C +ATOM 3670 CD1 LEU B 178 6.522 -56.554 31.904 1.00 43.46 C +ATOM 3671 CD2 LEU B 178 5.484 -58.824 32.177 1.00 49.63 C +ATOM 3672 H LEU B 178 2.566 -55.443 34.329 1.00 15.00 H +ATOM 3673 N GLN B 179 3.303 -54.153 30.586 1.00 58.66 N +ATOM 3674 CA GLN B 179 2.680 -53.936 29.292 1.00 59.22 C +ATOM 3675 C GLN B 179 3.671 -54.374 28.218 1.00 60.92 C +ATOM 3676 O GLN B 179 4.579 -53.623 27.862 1.00 64.43 O +ATOM 3677 CB GLN B 179 2.318 -52.453 29.115 1.00 60.36 C +ATOM 3678 CG GLN B 179 3.370 -51.493 29.674 1.00 62.68 C +ATOM 3679 CD GLN B 179 3.383 -50.139 28.996 1.00 65.86 C +ATOM 3680 OE1 GLN B 179 2.422 -49.755 28.327 1.00 75.28 O +ATOM 3681 NE2 GLN B 179 4.474 -49.398 29.177 1.00 52.07 N +ATOM 3682 H GLN B 179 3.941 -53.498 30.934 1.00 15.00 H +ATOM 3683 HE21 GLN B 179 4.496 -48.527 28.740 1.00 15.00 H +ATOM 3684 HE22 GLN B 179 5.179 -49.769 29.744 1.00 15.00 H +ATOM 3685 N SER B 180 3.539 -55.618 27.764 1.00 57.02 N +ATOM 3686 CA SER B 180 4.407 -56.161 26.722 1.00 58.02 C +ATOM 3687 C SER B 180 5.897 -55.875 26.956 1.00 55.46 C +ATOM 3688 O SER B 180 6.450 -54.927 26.395 1.00 52.78 O +ATOM 3689 CB SER B 180 3.992 -55.605 25.348 1.00 65.68 C +ATOM 3690 OG SER B 180 2.620 -55.840 25.069 1.00 69.22 O +ATOM 3691 H SER B 180 2.819 -56.174 28.123 1.00 15.00 H +ATOM 3692 HG SER B 180 2.431 -55.491 24.195 1.00 15.00 H +ATOM 3693 N ASP B 183 6.539 -56.686 27.791 1.00 56.90 N +ATOM 3694 CA ASP B 183 7.968 -56.527 28.092 1.00 59.72 C +ATOM 3695 C ASP B 183 8.400 -55.218 28.773 1.00 52.50 C +ATOM 3696 O ASP B 183 9.527 -55.130 29.262 1.00 52.34 O +ATOM 3697 CB ASP B 183 8.823 -56.762 26.832 1.00 70.28 C +ATOM 3698 CG ASP B 183 9.197 -58.229 26.633 1.00 82.21 C +ATOM 3699 OD1 ASP B 183 9.228 -58.987 27.632 1.00 83.48 O +ATOM 3700 OD2 ASP B 183 9.485 -58.618 25.476 1.00 86.95 O +ATOM 3701 H ASP B 183 6.049 -57.404 28.238 1.00 15.00 H +ATOM 3702 N LEU B 184 7.536 -54.204 28.782 1.00 37.69 N +ATOM 3703 CA LEU B 184 7.860 -52.932 29.418 1.00 32.78 C +ATOM 3704 C LEU B 184 6.868 -52.597 30.541 1.00 29.27 C +ATOM 3705 O LEU B 184 5.724 -53.054 30.528 1.00 24.97 O +ATOM 3706 CB LEU B 184 7.919 -51.813 28.377 1.00 44.85 C +ATOM 3707 CG LEU B 184 9.215 -51.555 27.586 1.00 46.02 C +ATOM 3708 CD1 LEU B 184 10.234 -50.883 28.469 1.00 51.21 C +ATOM 3709 CD2 LEU B 184 9.783 -52.824 26.980 1.00 50.08 C +ATOM 3710 H LEU B 184 6.658 -54.251 28.354 1.00 15.00 H +ATOM 3711 N TYR B 185 7.322 -51.824 31.524 1.00 20.04 N +ATOM 3712 CA TYR B 185 6.502 -51.458 32.679 1.00 26.09 C +ATOM 3713 C TYR B 185 5.956 -50.041 32.646 1.00 25.38 C +ATOM 3714 O TYR B 185 6.439 -49.199 31.888 1.00 41.39 O +ATOM 3715 CB TYR B 185 7.324 -51.619 33.976 1.00 33.77 C +ATOM 3716 CG TYR B 185 7.383 -53.033 34.520 1.00 36.69 C +ATOM 3717 CD1 TYR B 185 6.276 -53.593 35.153 1.00 37.90 C +ATOM 3718 CD2 TYR B 185 8.520 -53.831 34.356 1.00 33.23 C +ATOM 3719 CE1 TYR B 185 6.288 -54.907 35.601 1.00 42.73 C +ATOM 3720 CE2 TYR B 185 8.543 -55.157 34.806 1.00 31.07 C +ATOM 3721 CZ TYR B 185 7.418 -55.689 35.425 1.00 39.88 C +ATOM 3722 OH TYR B 185 7.386 -57.005 35.850 1.00 45.52 O +ATOM 3723 H TYR B 185 8.248 -51.520 31.483 1.00 15.00 H +ATOM 3724 HH TYR B 185 8.180 -57.475 35.589 1.00 15.00 H +ATOM 3725 N THR B 186 4.980 -49.774 33.505 1.00 14.77 N +ATOM 3726 CA THR B 186 4.398 -48.445 33.634 1.00 9.64 C +ATOM 3727 C THR B 186 3.958 -48.305 35.062 1.00 5.09 C +ATOM 3728 O THR B 186 3.319 -49.199 35.609 1.00 8.91 O +ATOM 3729 CB THR B 186 3.177 -48.245 32.737 1.00 21.64 C +ATOM 3730 OG1 THR B 186 3.594 -48.248 31.369 1.00 44.31 O +ATOM 3731 CG2 THR B 186 2.477 -46.916 33.053 1.00 23.15 C +ATOM 3732 H THR B 186 4.622 -50.493 34.064 1.00 15.00 H +ATOM 3733 HG1 THR B 186 2.812 -48.279 30.807 1.00 15.00 H +ATOM 3734 N LEU B 187 4.260 -47.160 35.648 1.00 8.13 N +ATOM 3735 CA LEU B 187 3.912 -46.894 37.026 1.00 11.70 C +ATOM 3736 C LEU B 187 3.579 -45.422 37.125 1.00 14.24 C +ATOM 3737 O LEU B 187 4.192 -44.596 36.443 1.00 22.01 O +ATOM 3738 CB LEU B 187 5.132 -47.190 37.907 1.00 23.51 C +ATOM 3739 CG LEU B 187 5.160 -47.234 39.442 1.00 21.77 C +ATOM 3740 CD1 LEU B 187 6.618 -47.269 39.828 1.00 18.82 C +ATOM 3741 CD2 LEU B 187 4.514 -46.021 40.109 1.00 28.59 C +ATOM 3742 H LEU B 187 4.719 -46.455 35.151 1.00 15.00 H +ATOM 3743 N SER B 188 2.642 -45.093 38.002 1.00 10.35 N +ATOM 3744 CA SER B 188 2.254 -43.719 38.215 1.00 10.76 C +ATOM 3745 C SER B 188 2.140 -43.496 39.709 1.00 10.25 C +ATOM 3746 O SER B 188 1.967 -44.439 40.467 1.00 17.08 O +ATOM 3747 CB SER B 188 0.912 -43.445 37.532 1.00 26.52 C +ATOM 3748 OG SER B 188 -0.072 -44.403 37.896 1.00 28.94 O +ATOM 3749 H SER B 188 2.176 -45.770 38.536 1.00 15.00 H +ATOM 3750 HG SER B 188 -0.907 -44.214 37.439 1.00 15.00 H +ATOM 3751 N SER B 189 2.226 -42.248 40.131 1.00 9.02 N +ATOM 3752 CA SER B 189 2.112 -41.913 41.531 1.00 7.51 C +ATOM 3753 C SER B 189 1.343 -40.604 41.588 1.00 8.98 C +ATOM 3754 O SER B 189 1.563 -39.729 40.745 1.00 16.66 O +ATOM 3755 CB SER B 189 3.503 -41.742 42.119 1.00 12.96 C +ATOM 3756 OG SER B 189 3.435 -41.267 43.444 1.00 31.61 O +ATOM 3757 H SER B 189 2.381 -41.520 39.492 1.00 15.00 H +ATOM 3758 HG SER B 189 3.036 -41.957 43.992 1.00 15.00 H +ATOM 3759 N SER B 190 0.423 -40.485 42.541 1.00 9.06 N +ATOM 3760 CA SER B 190 -0.393 -39.282 42.706 1.00 8.42 C +ATOM 3761 C SER B 190 -0.201 -38.713 44.095 1.00 20.69 C +ATOM 3762 O SER B 190 -0.293 -39.429 45.097 1.00 31.69 O +ATOM 3763 CB SER B 190 -1.876 -39.599 42.517 1.00 27.06 C +ATOM 3764 OG SER B 190 -2.442 -40.277 43.640 1.00 20.45 O +ATOM 3765 H SER B 190 0.287 -41.212 43.184 1.00 15.00 H +ATOM 3766 HG SER B 190 -3.292 -40.664 43.387 1.00 15.00 H +ATOM 3767 N VAL B 191 0.006 -37.413 44.162 1.00 23.00 N +ATOM 3768 CA VAL B 191 0.217 -36.764 45.436 1.00 20.49 C +ATOM 3769 C VAL B 191 -0.851 -35.691 45.609 1.00 15.72 C +ATOM 3770 O VAL B 191 -1.222 -35.015 44.660 1.00 24.82 O +ATOM 3771 CB VAL B 191 1.658 -36.203 45.498 1.00 18.09 C +ATOM 3772 CG1 VAL B 191 1.966 -35.389 44.257 1.00 17.42 C +ATOM 3773 CG2 VAL B 191 1.868 -35.402 46.745 1.00 21.13 C +ATOM 3774 H VAL B 191 -0.008 -36.874 43.351 1.00 15.00 H +ATOM 3775 N THR B 192 -1.356 -35.543 46.818 1.00 13.18 N +ATOM 3776 CA THR B 192 -2.396 -34.563 47.073 1.00 14.60 C +ATOM 3777 C THR B 192 -2.068 -33.525 48.157 1.00 18.19 C +ATOM 3778 O THR B 192 -2.147 -33.802 49.353 1.00 25.08 O +ATOM 3779 CB THR B 192 -3.647 -35.292 47.417 1.00 10.30 C +ATOM 3780 OG1 THR B 192 -3.696 -36.499 46.639 1.00 19.72 O +ATOM 3781 CG2 THR B 192 -4.819 -34.437 47.107 1.00 3.77 C +ATOM 3782 H THR B 192 -1.030 -36.086 47.567 1.00 15.00 H +ATOM 3783 HG1 THR B 192 -2.944 -37.039 46.911 1.00 15.00 H +ATOM 3784 N VAL B 193 -1.752 -32.314 47.714 1.00 17.13 N +ATOM 3785 CA VAL B 193 -1.381 -31.201 48.589 1.00 18.28 C +ATOM 3786 C VAL B 193 -2.546 -30.456 49.251 1.00 24.16 C +ATOM 3787 O VAL B 193 -3.653 -30.396 48.720 1.00 34.53 O +ATOM 3788 CB VAL B 193 -0.566 -30.143 47.793 1.00 16.87 C +ATOM 3789 CG1 VAL B 193 -0.064 -29.041 48.714 1.00 19.47 C +ATOM 3790 CG2 VAL B 193 0.594 -30.789 47.062 1.00 18.07 C +ATOM 3791 H VAL B 193 -1.785 -32.144 46.751 1.00 15.00 H +ATOM 3792 N THR B 194 -2.258 -29.832 50.384 1.00 27.59 N +ATOM 3793 CA THR B 194 -3.232 -29.049 51.115 1.00 35.78 C +ATOM 3794 C THR B 194 -2.587 -27.710 51.484 1.00 48.61 C +ATOM 3795 O THR B 194 -1.390 -27.648 51.836 1.00 40.27 O +ATOM 3796 CB THR B 194 -3.685 -29.785 52.371 1.00 34.76 C +ATOM 3797 OG1 THR B 194 -4.280 -31.034 51.997 1.00 39.89 O +ATOM 3798 CG2 THR B 194 -4.685 -28.954 53.138 1.00 40.48 C +ATOM 3799 H THR B 194 -1.359 -29.907 50.758 1.00 15.00 H +ATOM 3800 HG1 THR B 194 -4.765 -30.900 51.176 1.00 15.00 H +ATOM 3801 N SER B 195 -3.386 -26.648 51.364 1.00 62.00 N +ATOM 3802 CA SER B 195 -2.985 -25.263 51.646 1.00 72.34 C +ATOM 3803 C SER B 195 -2.332 -24.604 50.429 1.00 73.62 C +ATOM 3804 O SER B 195 -1.694 -25.269 49.609 1.00 70.81 O +ATOM 3805 CB SER B 195 -2.048 -25.183 52.861 1.00 77.86 C +ATOM 3806 OG SER B 195 -1.784 -23.842 53.247 1.00 84.42 O +ATOM 3807 H SER B 195 -4.294 -26.807 51.030 1.00 15.00 H +ATOM 3808 HG SER B 195 -1.260 -23.372 52.588 1.00 15.00 H +ATOM 3809 N SER B 196 -2.521 -23.295 50.307 1.00 75.39 N +ATOM 3810 CA SER B 196 -1.961 -22.523 49.206 1.00 80.29 C +ATOM 3811 C SER B 196 -0.439 -22.644 49.286 1.00 75.15 C +ATOM 3812 O SER B 196 0.247 -21.700 49.688 1.00 81.90 O +ATOM 3813 CB SER B 196 -2.379 -21.049 49.347 1.00 87.25 C +ATOM 3814 OG SER B 196 -3.694 -20.925 49.875 1.00 92.66 O +ATOM 3815 H SER B 196 -3.066 -22.797 50.954 1.00 15.00 H +ATOM 3816 HG SER B 196 -3.914 -19.989 49.907 1.00 15.00 H +ATOM 3817 N THR B 198 0.099 -23.794 48.897 1.00 64.62 N +ATOM 3818 CA THR B 198 1.536 -23.978 48.996 1.00 59.81 C +ATOM 3819 C THR B 198 2.266 -24.452 47.751 1.00 52.67 C +ATOM 3820 O THR B 198 3.461 -24.188 47.620 1.00 43.78 O +ATOM 3821 CB THR B 198 1.916 -24.929 50.176 1.00 60.75 C +ATOM 3822 OG1 THR B 198 1.441 -26.255 49.916 1.00 64.63 O +ATOM 3823 CG2 THR B 198 1.312 -24.446 51.483 1.00 61.91 C +ATOM 3824 H THR B 198 -0.452 -24.509 48.528 1.00 15.00 H +ATOM 3825 HG1 THR B 198 0.478 -26.270 50.065 1.00 15.00 H +ATOM 3826 N TRP B 199 1.575 -25.117 46.827 1.00 50.28 N +ATOM 3827 CA TRP B 199 2.270 -25.633 45.648 1.00 54.61 C +ATOM 3828 C TRP B 199 2.808 -24.697 44.574 1.00 62.92 C +ATOM 3829 O TRP B 199 3.995 -24.755 44.251 1.00 68.81 O +ATOM 3830 CB TRP B 199 1.511 -26.767 44.966 1.00 41.90 C +ATOM 3831 CG TRP B 199 2.156 -27.146 43.648 1.00 39.16 C +ATOM 3832 CD1 TRP B 199 3.472 -27.474 43.432 1.00 45.64 C +ATOM 3833 CD2 TRP B 199 1.539 -27.123 42.363 1.00 45.63 C +ATOM 3834 NE1 TRP B 199 3.710 -27.637 42.090 1.00 40.42 N +ATOM 3835 CE2 TRP B 199 2.540 -27.431 41.411 1.00 47.89 C +ATOM 3836 CE3 TRP B 199 0.234 -26.868 41.918 1.00 45.98 C +ATOM 3837 CZ2 TRP B 199 2.275 -27.491 40.045 1.00 49.09 C +ATOM 3838 CZ3 TRP B 199 -0.030 -26.928 40.561 1.00 40.10 C +ATOM 3839 CH2 TRP B 199 0.985 -27.238 39.640 1.00 49.59 C +ATOM 3840 H TRP B 199 0.618 -25.272 46.935 1.00 15.00 H +ATOM 3841 HE1 TRP B 199 4.576 -27.840 41.674 1.00 15.00 H +ATOM 3842 N PRO B 200 1.939 -23.897 43.937 1.00 62.68 N +ATOM 3843 CA PRO B 200 2.471 -23.007 42.898 1.00 59.34 C +ATOM 3844 C PRO B 200 3.742 -22.284 43.379 1.00 61.85 C +ATOM 3845 O PRO B 200 4.733 -22.196 42.648 1.00 59.27 O +ATOM 3846 CB PRO B 200 1.312 -22.049 42.657 1.00 61.68 C +ATOM 3847 CG PRO B 200 0.109 -22.901 42.950 1.00 63.92 C +ATOM 3848 CD PRO B 200 0.517 -23.621 44.202 1.00 56.35 C +ATOM 3849 N SER B 202 3.709 -21.828 44.632 1.00 61.18 N +ATOM 3850 CA SER B 202 4.829 -21.139 45.263 1.00 57.72 C +ATOM 3851 C SER B 202 5.976 -22.123 45.543 1.00 59.19 C +ATOM 3852 O SER B 202 6.990 -22.111 44.841 1.00 58.00 O +ATOM 3853 CB SER B 202 4.357 -20.453 46.557 1.00 61.60 C +ATOM 3854 OG SER B 202 3.414 -21.246 47.271 1.00 59.64 O +ATOM 3855 H SER B 202 2.931 -21.980 45.198 1.00 15.00 H +ATOM 3856 HG SER B 202 3.118 -20.765 48.055 1.00 15.00 H +ATOM 3857 N GLN B 203 5.822 -22.966 46.566 1.00 54.96 N +ATOM 3858 CA GLN B 203 6.851 -23.953 46.894 1.00 49.06 C +ATOM 3859 C GLN B 203 6.792 -25.089 45.874 1.00 43.04 C +ATOM 3860 O GLN B 203 5.793 -25.800 45.773 1.00 41.81 O +ATOM 3861 CB GLN B 203 6.659 -24.530 48.304 1.00 56.87 C +ATOM 3862 CG GLN B 203 7.542 -23.939 49.400 1.00 62.29 C +ATOM 3863 CD GLN B 203 6.834 -22.891 50.255 1.00 69.14 C +ATOM 3864 OE1 GLN B 203 7.480 -22.172 51.018 1.00 75.23 O +ATOM 3865 NE2 GLN B 203 5.510 -22.799 50.132 1.00 61.17 N +ATOM 3866 H GLN B 203 4.970 -22.961 47.050 1.00 15.00 H +ATOM 3867 HE21 GLN B 203 5.103 -22.142 50.733 1.00 15.00 H +ATOM 3868 HE22 GLN B 203 4.990 -23.348 49.514 1.00 15.00 H +ATOM 3869 N SER B 204 7.896 -25.290 45.172 1.00 33.48 N +ATOM 3870 CA SER B 204 8.021 -26.320 44.149 1.00 30.46 C +ATOM 3871 C SER B 204 7.713 -27.758 44.587 1.00 31.46 C +ATOM 3872 O SER B 204 7.510 -28.034 45.773 1.00 36.80 O +ATOM 3873 CB SER B 204 9.439 -26.256 43.577 1.00 36.30 C +ATOM 3874 OG SER B 204 10.386 -25.976 44.604 1.00 48.65 O +ATOM 3875 H SER B 204 8.678 -24.727 45.333 1.00 15.00 H +ATOM 3876 HG SER B 204 11.277 -25.921 44.244 1.00 15.00 H +ATOM 3877 N ILE B 205 7.663 -28.661 43.606 1.00 25.28 N +ATOM 3878 CA ILE B 205 7.439 -30.087 43.825 1.00 14.45 C +ATOM 3879 C ILE B 205 8.044 -30.798 42.651 1.00 16.55 C +ATOM 3880 O ILE B 205 7.813 -30.403 41.518 1.00 24.64 O +ATOM 3881 CB ILE B 205 5.969 -30.467 43.843 1.00 5.11 C +ATOM 3882 CG1 ILE B 205 5.331 -30.003 45.141 1.00 13.06 C +ATOM 3883 CG2 ILE B 205 5.825 -31.973 43.714 1.00 2.00 C +ATOM 3884 CD1 ILE B 205 3.901 -30.438 45.297 1.00 34.01 C +ATOM 3885 H ILE B 205 7.750 -28.372 42.677 1.00 15.00 H +ATOM 3886 N THR B 206 8.828 -31.833 42.903 1.00 16.54 N +ATOM 3887 CA THR B 206 9.435 -32.563 41.806 1.00 23.20 C +ATOM 3888 C THR B 206 9.169 -34.025 41.995 1.00 26.38 C +ATOM 3889 O THR B 206 8.953 -34.484 43.113 1.00 32.90 O +ATOM 3890 CB THR B 206 10.930 -32.393 41.772 1.00 26.35 C +ATOM 3891 OG1 THR B 206 11.488 -32.979 42.954 1.00 49.34 O +ATOM 3892 CG2 THR B 206 11.291 -30.919 41.722 1.00 42.57 C +ATOM 3893 H THR B 206 8.985 -32.151 43.813 1.00 15.00 H +ATOM 3894 HG1 THR B 206 12.445 -33.063 42.808 1.00 15.00 H +ATOM 3895 N CYS B 208 9.166 -34.744 40.885 1.00 27.15 N +ATOM 3896 CA CYS B 208 8.942 -36.175 40.866 1.00 26.35 C +ATOM 3897 C CYS B 208 10.356 -36.743 40.759 1.00 30.71 C +ATOM 3898 O CYS B 208 11.115 -36.337 39.880 1.00 40.14 O +ATOM 3899 CB CYS B 208 8.080 -36.518 39.642 1.00 24.39 C +ATOM 3900 SG CYS B 208 7.898 -38.268 39.153 1.00 39.38 S +ATOM 3901 H CYS B 208 9.327 -34.310 40.022 1.00 15.00 H +ATOM 3902 N ASN B 209 10.754 -37.568 41.726 1.00 31.73 N +ATOM 3903 CA ASN B 209 12.090 -38.167 41.725 1.00 24.70 C +ATOM 3904 C ASN B 209 11.952 -39.670 41.486 1.00 28.18 C +ATOM 3905 O ASN B 209 11.263 -40.382 42.232 1.00 30.84 O +ATOM 3906 CB ASN B 209 12.817 -37.884 43.041 1.00 20.25 C +ATOM 3907 CG ASN B 209 12.713 -36.434 43.465 1.00 21.34 C +ATOM 3908 OD1 ASN B 209 13.613 -35.637 43.236 1.00 28.21 O +ATOM 3909 ND2 ASN B 209 11.609 -36.088 44.101 1.00 28.26 N +ATOM 3910 H ASN B 209 10.136 -37.816 42.443 1.00 15.00 H +ATOM 3911 HD21 ASN B 209 11.518 -35.136 44.297 1.00 15.00 H +ATOM 3912 HD22 ASN B 209 10.950 -36.777 44.295 1.00 15.00 H +ATOM 3913 N VAL B 210 12.591 -40.140 40.423 1.00 23.94 N +ATOM 3914 CA VAL B 210 12.533 -41.540 40.027 1.00 23.56 C +ATOM 3915 C VAL B 210 13.925 -42.060 39.710 1.00 21.69 C +ATOM 3916 O VAL B 210 14.704 -41.385 39.039 1.00 18.41 O +ATOM 3917 CB VAL B 210 11.640 -41.693 38.770 1.00 26.26 C +ATOM 3918 CG1 VAL B 210 11.836 -43.061 38.108 1.00 32.49 C +ATOM 3919 CG2 VAL B 210 10.185 -41.479 39.146 1.00 29.82 C +ATOM 3920 H VAL B 210 13.139 -39.530 39.879 1.00 15.00 H +ATOM 3921 N ALA B 211 14.236 -43.258 40.191 1.00 20.94 N +ATOM 3922 CA ALA B 211 15.538 -43.851 39.932 1.00 24.22 C +ATOM 3923 C ALA B 211 15.347 -45.279 39.498 1.00 26.57 C +ATOM 3924 O ALA B 211 14.426 -45.960 39.962 1.00 35.32 O +ATOM 3925 CB ALA B 211 16.393 -43.803 41.166 1.00 28.47 C +ATOM 3926 H ALA B 211 13.572 -43.744 40.724 1.00 15.00 H +ATOM 3927 N HIS B 212 16.182 -45.711 38.566 1.00 26.41 N +ATOM 3928 CA HIS B 212 16.125 -47.068 38.068 1.00 34.23 C +ATOM 3929 C HIS B 212 17.522 -47.644 38.187 1.00 47.55 C +ATOM 3930 O HIS B 212 18.479 -47.114 37.609 1.00 42.81 O +ATOM 3931 CB HIS B 212 15.680 -47.117 36.614 1.00 24.63 C +ATOM 3932 CG HIS B 212 15.328 -48.494 36.147 1.00 22.50 C +ATOM 3933 ND1 HIS B 212 16.085 -49.189 35.233 1.00 29.97 N +ATOM 3934 CD2 HIS B 212 14.299 -49.310 36.477 1.00 28.01 C +ATOM 3935 CE1 HIS B 212 15.539 -50.373 35.016 1.00 32.84 C +ATOM 3936 NE2 HIS B 212 14.454 -50.472 35.760 1.00 31.85 N +ATOM 3937 H HIS B 212 16.862 -45.092 38.227 1.00 15.00 H +ATOM 3938 HD1 HIS B 212 16.860 -48.851 34.743 1.00 15.00 H +ATOM 3939 HE2 HIS B 212 13.866 -51.258 35.838 1.00 15.00 H +ATOM 3940 N PRO B 213 17.663 -48.714 38.983 1.00 55.12 N +ATOM 3941 CA PRO B 213 18.927 -49.405 39.224 1.00 53.03 C +ATOM 3942 C PRO B 213 19.574 -50.017 37.992 1.00 47.35 C +ATOM 3943 O PRO B 213 20.627 -49.558 37.568 1.00 51.75 O +ATOM 3944 CB PRO B 213 18.536 -50.465 40.250 1.00 61.66 C +ATOM 3945 CG PRO B 213 17.492 -49.767 41.040 1.00 57.16 C +ATOM 3946 CD PRO B 213 16.643 -49.182 39.939 1.00 59.78 C +ATOM 3947 N ALA B 214 18.912 -50.993 37.379 1.00 40.12 N +ATOM 3948 CA ALA B 214 19.466 -51.685 36.218 1.00 44.38 C +ATOM 3949 C ALA B 214 19.962 -50.804 35.075 1.00 53.89 C +ATOM 3950 O ALA B 214 20.685 -51.279 34.199 1.00 58.72 O +ATOM 3951 CB ALA B 214 18.487 -52.710 35.705 1.00 38.31 C +ATOM 3952 H ALA B 214 18.045 -51.280 37.732 1.00 15.00 H +ATOM 3953 N SER B 215 19.594 -49.525 35.097 1.00 57.10 N +ATOM 3954 CA SER B 215 20.003 -48.595 34.055 1.00 57.27 C +ATOM 3955 C SER B 215 20.679 -47.353 34.620 1.00 60.22 C +ATOM 3956 O SER B 215 21.025 -46.438 33.870 1.00 65.69 O +ATOM 3957 CB SER B 215 18.786 -48.171 33.246 1.00 55.04 C +ATOM 3958 OG SER B 215 17.850 -47.505 34.077 1.00 58.72 O +ATOM 3959 H SER B 215 19.070 -49.153 35.823 1.00 15.00 H +ATOM 3960 HG SER B 215 18.165 -46.587 34.109 1.00 15.00 H +ATOM 3961 N SER B 216 20.798 -47.295 35.943 1.00 60.36 N +ATOM 3962 CA SER B 216 21.423 -46.168 36.625 1.00 66.14 C +ATOM 3963 C SER B 216 20.853 -44.848 36.105 1.00 66.41 C +ATOM 3964 O SER B 216 21.563 -43.998 35.553 1.00 63.97 O +ATOM 3965 CB SER B 216 22.933 -46.239 36.433 1.00 73.30 C +ATOM 3966 OG SER B 216 23.383 -47.572 36.623 1.00 86.33 O +ATOM 3967 H SER B 216 20.497 -48.039 36.482 1.00 15.00 H +ATOM 3968 HG SER B 216 23.052 -47.929 37.451 1.00 15.00 H +ATOM 3969 N THR B 217 19.553 -44.681 36.288 1.00 62.64 N +ATOM 3970 CA THR B 217 18.896 -43.485 35.811 1.00 60.15 C +ATOM 3971 C THR B 217 18.170 -42.768 36.944 1.00 57.42 C +ATOM 3972 O THR B 217 17.268 -43.316 37.574 1.00 53.16 O +ATOM 3973 CB THR B 217 17.925 -43.838 34.655 1.00 60.84 C +ATOM 3974 OG1 THR B 217 18.521 -44.855 33.835 1.00 50.08 O +ATOM 3975 CG2 THR B 217 17.642 -42.615 33.784 1.00 61.35 C +ATOM 3976 H THR B 217 19.037 -45.373 36.749 1.00 15.00 H +ATOM 3977 HG1 THR B 217 19.436 -44.616 33.605 1.00 15.00 H +ATOM 3978 N LYS B 218 18.644 -41.572 37.254 1.00 57.46 N +ATOM 3979 CA LYS B 218 18.043 -40.755 38.289 1.00 67.48 C +ATOM 3980 C LYS B 218 17.521 -39.528 37.566 1.00 68.78 C +ATOM 3981 O LYS B 218 18.303 -38.773 36.983 1.00 74.01 O +ATOM 3982 CB LYS B 218 19.081 -40.320 39.330 1.00 79.10 C +ATOM 3983 CG LYS B 218 19.788 -41.454 40.060 1.00 96.06 C +ATOM 3984 CD LYS B 218 20.368 -40.987 41.404 1.00104.12 C +ATOM 3985 CE LYS B 218 21.380 -39.854 41.256 1.00107.19 C +ATOM 3986 NZ LYS B 218 21.911 -39.410 42.581 1.00108.57 N +ATOM 3987 H LYS B 218 19.406 -41.196 36.766 1.00 15.00 H +ATOM 3988 HZ1 LYS B 218 22.368 -40.217 43.051 1.00 15.00 H +ATOM 3989 HZ2 LYS B 218 22.606 -38.650 42.440 1.00 15.00 H +ATOM 3990 HZ3 LYS B 218 21.126 -39.062 43.169 1.00 15.00 H +ATOM 3991 N VAL B 219 16.203 -39.359 37.553 1.00 65.96 N +ATOM 3992 CA VAL B 219 15.575 -38.220 36.891 1.00 58.62 C +ATOM 3993 C VAL B 219 14.681 -37.480 37.880 1.00 54.07 C +ATOM 3994 O VAL B 219 14.012 -38.098 38.711 1.00 53.56 O +ATOM 3995 CB VAL B 219 14.717 -38.664 35.678 1.00 56.60 C +ATOM 3996 CG1 VAL B 219 14.109 -37.457 34.996 1.00 57.62 C +ATOM 3997 CG2 VAL B 219 15.557 -39.452 34.687 1.00 60.39 C +ATOM 3998 H VAL B 219 15.624 -39.995 38.030 1.00 15.00 H +ATOM 3999 N ASP B 220 14.687 -36.156 37.798 1.00 50.62 N +ATOM 4000 CA ASP B 220 13.869 -35.332 38.680 1.00 52.40 C +ATOM 4001 C ASP B 220 13.063 -34.366 37.818 1.00 48.42 C +ATOM 4002 O ASP B 220 13.574 -33.337 37.368 1.00 55.57 O +ATOM 4003 CB ASP B 220 14.752 -34.556 39.666 1.00 55.35 C +ATOM 4004 CG ASP B 220 15.725 -35.453 40.408 1.00 62.13 C +ATOM 4005 OD1 ASP B 220 15.274 -36.411 41.076 1.00 66.86 O +ATOM 4006 OD2 ASP B 220 16.946 -35.208 40.306 1.00 66.27 O +ATOM 4007 H ASP B 220 15.241 -35.700 37.133 1.00 15.00 H +ATOM 4008 N LYS B 221 11.813 -34.722 37.556 1.00 33.03 N +ATOM 4009 CA LYS B 221 10.949 -33.895 36.742 1.00 23.55 C +ATOM 4010 C LYS B 221 10.179 -32.924 37.609 1.00 17.62 C +ATOM 4011 O LYS B 221 9.327 -33.328 38.393 1.00 10.57 O +ATOM 4012 CB LYS B 221 9.977 -34.774 35.954 1.00 24.87 C +ATOM 4013 CG LYS B 221 10.117 -34.677 34.432 1.00 26.27 C +ATOM 4014 CD LYS B 221 11.500 -35.063 33.946 1.00 20.55 C +ATOM 4015 CE LYS B 221 11.580 -34.924 32.435 1.00 33.66 C +ATOM 4016 NZ LYS B 221 12.859 -35.426 31.851 1.00 42.79 N +ATOM 4017 H LYS B 221 11.467 -35.548 37.959 1.00 15.00 H +ATOM 4018 HZ1 LYS B 221 13.663 -34.909 32.260 1.00 15.00 H +ATOM 4019 HZ2 LYS B 221 12.958 -36.437 32.073 1.00 15.00 H +ATOM 4020 HZ3 LYS B 221 12.853 -35.304 30.819 1.00 15.00 H +ATOM 4021 N LYS B 222 10.540 -31.651 37.539 1.00 22.91 N +ATOM 4022 CA LYS B 222 9.818 -30.649 38.308 1.00 34.01 C +ATOM 4023 C LYS B 222 8.427 -30.540 37.690 1.00 31.70 C +ATOM 4024 O LYS B 222 8.280 -30.517 36.470 1.00 41.96 O +ATOM 4025 CB LYS B 222 10.511 -29.284 38.228 1.00 37.31 C +ATOM 4026 CG LYS B 222 9.675 -28.146 38.805 1.00 46.02 C +ATOM 4027 CD LYS B 222 10.238 -26.776 38.449 1.00 59.27 C +ATOM 4028 CE LYS B 222 9.309 -25.669 38.943 1.00 68.35 C +ATOM 4029 NZ LYS B 222 9.784 -24.304 38.581 1.00 76.20 N +ATOM 4030 H LYS B 222 11.283 -31.395 36.956 1.00 15.00 H +ATOM 4031 HZ1 LYS B 222 10.736 -24.153 38.972 1.00 15.00 H +ATOM 4032 HZ2 LYS B 222 9.811 -24.219 37.544 1.00 15.00 H +ATOM 4033 HZ3 LYS B 222 9.126 -23.600 38.973 1.00 15.00 H +ATOM 4034 N ILE B 223 7.409 -30.526 38.527 1.00 27.85 N +ATOM 4035 CA ILE B 223 6.047 -30.401 38.049 1.00 23.69 C +ATOM 4036 C ILE B 223 5.701 -28.917 37.961 1.00 27.44 C +ATOM 4037 O ILE B 223 5.457 -28.248 38.965 1.00 35.16 O +ATOM 4038 CB ILE B 223 5.068 -31.150 38.980 1.00 23.04 C +ATOM 4039 CG1 ILE B 223 4.942 -32.605 38.531 1.00 21.67 C +ATOM 4040 CG2 ILE B 223 3.714 -30.447 39.051 1.00 6.84 C +ATOM 4041 CD1 ILE B 223 6.230 -33.375 38.573 1.00 36.03 C +ATOM 4042 H ILE B 223 7.565 -30.572 39.493 1.00 15.00 H +ATOM 4043 N GLU B 226 5.755 -28.393 36.750 1.00 34.31 N +ATOM 4044 CA GLU B 226 5.446 -26.992 36.494 1.00 37.97 C +ATOM 4045 C GLU B 226 3.994 -26.934 36.040 1.00 35.28 C +ATOM 4046 O GLU B 226 3.508 -27.869 35.397 1.00 30.13 O +ATOM 4047 CB GLU B 226 6.409 -26.439 35.440 1.00 37.70 C +ATOM 4048 CG GLU B 226 7.836 -26.931 35.678 1.00 55.68 C +ATOM 4049 CD GLU B 226 8.893 -26.175 34.908 1.00 61.56 C +ATOM 4050 OE1 GLU B 226 9.100 -24.979 35.225 1.00 63.47 O +ATOM 4051 OE2 GLU B 226 9.532 -26.791 34.016 1.00 58.02 O +ATOM 4052 H GLU B 226 6.007 -28.970 36.000 1.00 15.00 H +ATOM 4053 N PRO B 227 3.267 -25.865 36.414 1.00 37.76 N +ATOM 4054 CA PRO B 227 1.858 -25.693 36.051 1.00 37.46 C +ATOM 4055 C PRO B 227 1.587 -25.632 34.566 1.00 41.37 C +ATOM 4056 O PRO B 227 2.441 -25.262 33.761 1.00 39.20 O +ATOM 4057 CB PRO B 227 1.462 -24.408 36.772 1.00 33.97 C +ATOM 4058 CG PRO B 227 2.729 -23.646 36.810 1.00 50.46 C +ATOM 4059 CD PRO B 227 3.746 -24.702 37.177 1.00 48.20 C +ATOM 4060 N ARG B 228 0.378 -26.032 34.218 1.00 51.18 N +ATOM 4061 CA ARG B 228 -0.048 -26.069 32.841 1.00 59.67 C +ATOM 4062 C ARG B 228 -0.251 -24.621 32.365 1.00 70.51 C +ATOM 4063 O ARG B 228 -0.919 -23.826 33.033 1.00 71.57 O +ATOM 4064 CB ARG B 228 -1.338 -26.898 32.755 1.00 50.48 C +ATOM 4065 CG ARG B 228 -1.524 -27.686 31.471 1.00 50.25 C +ATOM 4066 CD ARG B 228 -0.659 -28.928 31.386 1.00 43.95 C +ATOM 4067 NE ARG B 228 -1.275 -30.072 32.057 1.00 54.98 N +ATOM 4068 CZ ARG B 228 -1.026 -31.349 31.760 1.00 61.30 C +ATOM 4069 NH1 ARG B 228 -0.173 -31.666 30.789 1.00 66.78 N +ATOM 4070 NH2 ARG B 228 -1.599 -32.319 32.464 1.00 58.72 N +ATOM 4071 H ARG B 228 -0.260 -26.294 34.908 1.00 15.00 H +ATOM 4072 HE ARG B 228 -1.914 -29.892 32.778 1.00 15.00 H +ATOM 4073 HH11 ARG B 228 0.295 -30.952 30.270 1.00 15.00 H +ATOM 4074 HH12 ARG B 228 0.003 -32.629 30.580 1.00 15.00 H +ATOM 4075 HH21 ARG B 228 -2.222 -32.094 33.212 1.00 15.00 H +ATOM 4076 HH22 ARG B 228 -1.415 -33.275 32.239 1.00 15.00 H +ATOM 4077 N GLY B 229 0.421 -24.270 31.267 1.00 82.15 N +ATOM 4078 CA GLY B 229 0.319 -22.940 30.686 1.00 93.54 C +ATOM 4079 C GLY B 229 -0.219 -23.028 29.263 1.00105.42 C +ATOM 4080 O GLY B 229 0.139 -23.954 28.531 1.00107.73 O +ATOM 4081 H GLY B 229 0.996 -24.925 30.822 1.00 15.00 H +ATOM 4082 N PRO B 230 -1.059 -22.069 28.833 1.00112.23 N +ATOM 4083 CA PRO B 230 -1.699 -21.961 27.509 1.00117.36 C +ATOM 4084 C PRO B 230 -0.828 -22.209 26.261 1.00121.34 C +ATOM 4085 O PRO B 230 0.385 -21.989 26.282 1.00120.21 O +ATOM 4086 CB PRO B 230 -2.265 -20.544 27.532 1.00117.45 C +ATOM 4087 CG PRO B 230 -2.651 -20.379 28.969 1.00114.69 C +ATOM 4088 CD PRO B 230 -1.439 -20.927 29.685 1.00113.60 C +ATOM 4089 N THR B 231 -1.480 -22.619 25.168 1.00127.04 N +ATOM 4090 CA THR B 231 -0.824 -22.929 23.883 1.00130.84 C +ATOM 4091 C THR B 231 -0.733 -21.729 22.920 1.00132.05 C +ATOM 4092 O THR B 231 -1.564 -21.591 22.019 1.00134.12 O +ATOM 4093 CB THR B 231 -1.581 -24.082 23.135 1.00131.95 C +ATOM 4094 OG1 THR B 231 -1.872 -25.148 24.047 1.00132.80 O +ATOM 4095 CG2 THR B 231 -0.743 -24.631 21.973 1.00127.06 C +ATOM 4096 H THR B 231 -2.451 -22.752 25.219 1.00 15.00 H +ATOM 4097 HG1 THR B 231 -1.075 -25.524 24.430 1.00 15.00 H +ATOM 4098 N ILE B 232 0.296 -20.895 23.078 1.00132.29 N +ATOM 4099 CA ILE B 232 0.490 -19.711 22.223 1.00132.21 C +ATOM 4100 C ILE B 232 1.913 -19.128 22.299 1.00132.09 C +ATOM 4101 O ILE B 232 2.405 -18.831 23.388 1.00132.40 O +ATOM 4102 CB ILE B 232 -0.522 -18.576 22.580 1.00133.12 C +ATOM 4103 CG1 ILE B 232 -0.879 -18.623 24.076 1.00128.93 C +ATOM 4104 CG2 ILE B 232 -1.747 -18.638 21.661 1.00133.15 C +ATOM 4105 CD1 ILE B 232 -1.843 -17.544 24.538 1.00127.46 C +ATOM 4106 H ILE B 232 0.943 -21.057 23.803 1.00 15.00 H +ATOM 4107 N LYS B 235 2.557 -18.938 21.145 1.00131.84 N +ATOM 4108 CA LYS B 235 3.922 -18.385 21.086 1.00132.94 C +ATOM 4109 C LYS B 235 4.019 -17.171 20.140 1.00133.94 C +ATOM 4110 O LYS B 235 3.410 -17.168 19.067 1.00134.31 O +ATOM 4111 CB LYS B 235 4.927 -19.471 20.663 1.00133.44 C +ATOM 4112 CG LYS B 235 5.175 -20.570 21.709 1.00130.32 C +ATOM 4113 CD LYS B 235 6.177 -20.144 22.786 1.00126.36 C +ATOM 4114 CE LYS B 235 7.611 -20.508 22.410 1.00122.87 C +ATOM 4115 NZ LYS B 235 7.818 -21.988 22.344 1.00120.24 N +ATOM 4116 H LYS B 235 2.108 -19.151 20.299 1.00 15.00 H +ATOM 4117 HZ1 LYS B 235 7.604 -22.411 23.270 1.00 15.00 H +ATOM 4118 HZ2 LYS B 235 7.183 -22.390 21.626 1.00 15.00 H +ATOM 4119 HZ3 LYS B 235 8.805 -22.192 22.087 1.00 15.00 H +ATOM 4120 N PRO B 236 4.773 -16.122 20.541 1.00135.39 N +ATOM 4121 CA PRO B 236 4.992 -14.866 19.797 1.00136.23 C +ATOM 4122 C PRO B 236 6.211 -14.667 18.848 1.00137.23 C +ATOM 4123 O PRO B 236 7.336 -15.068 19.160 1.00135.09 O +ATOM 4124 CB PRO B 236 5.014 -13.831 20.919 1.00136.31 C +ATOM 4125 CG PRO B 236 5.769 -14.558 21.992 1.00136.33 C +ATOM 4126 CD PRO B 236 5.169 -15.958 21.958 1.00136.17 C +ATOM 4127 N CYS B 237 5.955 -13.964 17.735 1.00139.09 N +ATOM 4128 CA CYS B 237 6.930 -13.581 16.684 1.00139.53 C +ATOM 4129 C CYS B 237 7.377 -14.570 15.582 1.00140.99 C +ATOM 4130 O CYS B 237 8.350 -15.306 15.756 1.00143.20 O +ATOM 4131 CB CYS B 237 8.159 -12.883 17.302 1.00136.76 C +ATOM 4132 SG CYS B 237 8.478 -11.204 16.647 1.00134.85 S +ATOM 4133 H CYS B 237 5.027 -13.690 17.611 1.00 15.00 H +ATOM 4134 N PRO B 238 6.663 -14.588 14.428 1.00140.79 N +ATOM 4135 CA PRO B 238 6.997 -15.483 13.303 1.00138.24 C +ATOM 4136 C PRO B 238 7.996 -14.987 12.208 1.00136.87 C +ATOM 4137 O PRO B 238 9.113 -15.508 12.128 1.00132.87 O +ATOM 4138 CB PRO B 238 5.615 -15.863 12.726 1.00136.54 C +ATOM 4139 CG PRO B 238 4.613 -15.425 13.796 1.00136.01 C +ATOM 4140 CD PRO B 238 5.252 -14.176 14.337 1.00138.11 C +ATOM 4141 N PRO B 239 7.619 -13.998 11.351 1.00138.57 N +ATOM 4142 CA PRO B 239 8.594 -13.574 10.330 1.00138.05 C +ATOM 4143 C PRO B 239 9.459 -12.340 10.645 1.00137.16 C +ATOM 4144 O PRO B 239 9.003 -11.391 11.293 1.00135.36 O +ATOM 4145 CB PRO B 239 7.699 -13.304 9.125 1.00136.22 C +ATOM 4146 CG PRO B 239 6.533 -12.601 9.768 1.00136.88 C +ATOM 4147 CD PRO B 239 6.303 -13.373 11.079 1.00138.41 C +ATOM 4148 N CYS B 240 10.688 -12.338 10.125 1.00136.44 N +ATOM 4149 CA CYS B 240 11.603 -11.212 10.324 1.00136.39 C +ATOM 4150 C CYS B 240 12.258 -10.756 9.012 1.00135.51 C +ATOM 4151 O CYS B 240 13.277 -10.075 9.021 1.00134.01 O +ATOM 4152 CB CYS B 240 12.677 -11.537 11.374 1.00138.97 C +ATOM 4153 SG CYS B 240 13.548 -10.062 12.027 1.00143.64 S +ATOM 4154 H CYS B 240 10.992 -13.113 9.611 1.00 15.00 H +ATOM 4155 N LYS B 241 11.640 -11.114 7.885 1.00135.85 N +ATOM 4156 CA LYS B 241 12.152 -10.722 6.571 1.00136.47 C +ATOM 4157 C LYS B 241 11.551 -9.327 6.244 1.00137.03 C +ATOM 4158 O LYS B 241 11.247 -9.010 5.098 1.00134.47 O +ATOM 4159 CB LYS B 241 11.751 -11.745 5.510 1.00136.21 C +ATOM 4160 CG LYS B 241 12.410 -11.554 4.142 1.00131.89 C +ATOM 4161 CD LYS B 241 12.028 -12.667 3.174 1.00127.22 C +ATOM 4162 CE LYS B 241 12.669 -12.463 1.809 1.00125.42 C +ATOM 4163 NZ LYS B 241 12.439 -13.627 0.912 1.00121.35 N +ATOM 4164 H LYS B 241 10.830 -11.651 7.927 1.00 15.00 H +ATOM 4165 HZ1 LYS B 241 11.418 -13.766 0.776 1.00 15.00 H +ATOM 4166 HZ2 LYS B 241 12.892 -13.445 -0.006 1.00 15.00 H +ATOM 4167 HZ3 LYS B 241 12.853 -14.479 1.342 1.00 15.00 H +ATOM 4168 N CYS B 242 11.410 -8.533 7.300 1.00139.10 N +ATOM 4169 CA CYS B 242 10.854 -7.176 7.272 1.00141.27 C +ATOM 4170 C CYS B 242 9.606 -6.947 6.443 1.00139.93 C +ATOM 4171 O CYS B 242 9.673 -6.875 5.204 1.00138.10 O +ATOM 4172 CB CYS B 242 11.930 -6.138 6.895 1.00144.37 C +ATOM 4173 SG CYS B 242 11.387 -4.407 7.059 1.00149.76 S +ATOM 4174 H CYS B 242 11.736 -8.807 8.165 1.00 15.00 H +ATOM 4175 N PRO B 243 8.409 -6.956 7.100 1.00139.72 N +ATOM 4176 CA PRO B 243 7.200 -6.672 6.324 1.00140.61 C +ATOM 4177 C PRO B 243 7.378 -5.227 5.872 1.00142.34 C +ATOM 4178 O PRO B 243 6.961 -4.280 6.566 1.00143.62 O +ATOM 4179 CB PRO B 243 6.048 -6.829 7.340 1.00137.38 C +ATOM 4180 CG PRO B 243 6.653 -7.261 8.624 1.00135.46 C +ATOM 4181 CD PRO B 243 8.148 -7.373 8.483 1.00136.41 C +ATOM 4182 N ALA B 244 8.115 -5.070 4.788 1.00142.40 N +ATOM 4183 CA ALA B 244 8.429 -3.756 4.229 1.00140.32 C +ATOM 4184 C ALA B 244 7.171 -3.313 3.494 1.00140.53 C +ATOM 4185 O ALA B 244 6.215 -4.099 3.424 1.00143.01 O +ATOM 4186 CB ALA B 244 9.624 -3.849 3.241 1.00136.79 C +ATOM 4187 H ALA B 244 8.366 -5.845 4.271 1.00 15.00 H +ATOM 4188 N PRO B 245 7.075 -2.042 3.063 1.00139.08 N +ATOM 4189 CA PRO B 245 5.888 -1.556 2.325 1.00135.74 C +ATOM 4190 C PRO B 245 5.911 -2.232 0.929 1.00131.37 C +ATOM 4191 O PRO B 245 5.869 -1.582 -0.111 1.00133.86 O +ATOM 4192 CB PRO B 245 6.076 -0.039 2.251 1.00136.48 C +ATOM 4193 CG PRO B 245 7.305 0.289 3.061 1.00138.18 C +ATOM 4194 CD PRO B 245 7.902 -0.949 3.620 1.00139.49 C +ATOM 4195 N ASN B 246 5.953 -3.554 1.001 1.00125.59 N +ATOM 4196 CA ASN B 246 6.042 -4.568 -0.044 1.00115.24 C +ATOM 4197 C ASN B 246 4.640 -5.138 -0.285 1.00117.41 C +ATOM 4198 O ASN B 246 3.676 -4.753 0.389 1.00120.39 O +ATOM 4199 CB ASN B 246 7.077 -5.656 0.455 1.00 96.55 C +ATOM 4200 CG ASN B 246 7.173 -6.894 -0.437 0.00 73.88 C +ATOM 4201 OD1 ASN B 246 7.694 -7.908 0.011 0.00 62.58 O +ATOM 4202 ND2 ASN B 246 6.753 -6.810 -1.694 0.00 62.66 N +ATOM 4203 H ASN B 246 5.738 -3.978 1.851 1.00 15.00 H +ATOM 4204 HD21 ASN B 246 6.574 -7.637 -2.205 1.00 15.00 H +ATOM 4205 HD22 ASN B 246 6.519 -5.973 -2.059 1.00 15.00 H +ATOM 4206 N LEU B 247 4.511 -6.013 -1.288 1.00116.82 N +ATOM 4207 CA LEU B 247 3.316 -6.723 -1.744 1.00112.10 C +ATOM 4208 C LEU B 247 3.686 -7.630 -2.939 1.00115.47 C +ATOM 4209 O LEU B 247 4.866 -7.802 -3.256 1.00120.45 O +ATOM 4210 CB LEU B 247 2.256 -5.695 -2.173 1.00 97.16 C +ATOM 4211 CG LEU B 247 0.920 -6.255 -2.621 0.00 73.21 C +ATOM 4212 CD1 LEU B 247 0.413 -7.223 -1.527 0.00 61.96 C +ATOM 4213 CD2 LEU B 247 -0.075 -5.156 -2.904 0.00 61.80 C +ATOM 4214 H LEU B 247 5.144 -6.337 -1.992 1.00 15.00 H +ATOM 4215 N LEU B 248 2.673 -8.235 -3.566 1.00114.60 N +ATOM 4216 CA LEU B 248 2.777 -9.123 -4.729 1.00111.15 C +ATOM 4217 C LEU B 248 2.070 -8.494 -5.939 1.00116.40 C +ATOM 4218 O LEU B 248 0.978 -7.916 -5.797 1.00120.09 O +ATOM 4219 CB LEU B 248 2.140 -10.475 -4.382 1.00 93.16 C +ATOM 4220 CG LEU B 248 2.769 -11.132 -3.158 0.00 70.21 C +ATOM 4221 CD1 LEU B 248 2.086 -12.467 -2.886 0.00 57.96 C +ATOM 4222 CD2 LEU B 248 4.267 -11.319 -3.403 0.00 58.11 C +ATOM 4223 H LEU B 248 1.783 -8.152 -3.265 1.00 15.00 H +ATOM 4224 N GLY B 249 2.688 -8.621 -7.112 1.00116.69 N +ATOM 4225 CA GLY B 249 2.123 -8.054 -8.327 1.00114.59 C +ATOM 4226 C GLY B 249 0.707 -8.499 -8.678 1.00109.46 C +ATOM 4227 O GLY B 249 -0.086 -7.710 -9.192 1.00115.37 O +ATOM 4228 H GLY B 249 3.544 -9.097 -7.133 1.00 15.00 H +ATOM 4229 N GLY B 250 0.394 -9.760 -8.399 1.00 96.75 N +ATOM 4230 CA GLY B 250 -0.920 -10.290 -8.710 1.00 76.21 C +ATOM 4231 C GLY B 250 -0.697 -11.434 -9.674 1.00 66.82 C +ATOM 4232 O GLY B 250 0.462 -11.796 -9.936 1.00 68.36 O +ATOM 4233 H GLY B 250 1.101 -10.352 -8.076 1.00 15.00 H +ATOM 4234 N PRO B 251 -1.764 -12.003 -10.254 1.00 52.04 N +ATOM 4235 CA PRO B 251 -1.570 -13.108 -11.188 1.00 41.79 C +ATOM 4236 C PRO B 251 -0.885 -12.676 -12.462 1.00 38.17 C +ATOM 4237 O PRO B 251 -0.938 -11.514 -12.850 1.00 45.65 O +ATOM 4238 CB PRO B 251 -2.993 -13.593 -11.450 1.00 24.91 C +ATOM 4239 CG PRO B 251 -3.768 -12.352 -11.379 1.00 35.32 C +ATOM 4240 CD PRO B 251 -3.193 -11.676 -10.144 1.00 43.84 C +ATOM 4241 N SER B 252 -0.215 -13.612 -13.101 1.00 30.28 N +ATOM 4242 CA SER B 252 0.477 -13.321 -14.324 1.00 24.97 C +ATOM 4243 C SER B 252 -0.049 -14.302 -15.344 1.00 26.99 C +ATOM 4244 O SER B 252 -0.517 -15.380 -14.978 1.00 33.97 O +ATOM 4245 CB SER B 252 1.978 -13.498 -14.120 1.00 24.79 C +ATOM 4246 OG SER B 252 2.446 -12.628 -13.105 1.00 36.70 O +ATOM 4247 H SER B 252 -0.225 -14.520 -12.765 1.00 15.00 H +ATOM 4248 HG SER B 252 1.901 -12.677 -12.309 1.00 15.00 H +ATOM 4249 N VAL B 253 -0.025 -13.908 -16.614 1.00 22.70 N +ATOM 4250 CA VAL B 253 -0.498 -14.757 -17.704 1.00 14.01 C +ATOM 4251 C VAL B 253 0.583 -14.937 -18.767 1.00 10.80 C +ATOM 4252 O VAL B 253 1.368 -14.024 -19.030 1.00 11.52 O +ATOM 4253 CB VAL B 253 -1.738 -14.178 -18.370 1.00 12.71 C +ATOM 4254 CG1 VAL B 253 -2.365 -15.218 -19.298 1.00 22.10 C +ATOM 4255 CG2 VAL B 253 -2.708 -13.697 -17.328 1.00 5.74 C +ATOM 4256 H VAL B 253 0.345 -13.036 -16.859 1.00 15.00 H +ATOM 4257 N PHE B 254 0.636 -16.126 -19.353 1.00 4.92 N +ATOM 4258 CA PHE B 254 1.634 -16.434 -20.372 1.00 11.20 C +ATOM 4259 C PHE B 254 0.927 -17.303 -21.393 1.00 15.62 C +ATOM 4260 O PHE B 254 0.004 -18.036 -21.046 1.00 25.45 O +ATOM 4261 CB PHE B 254 2.820 -17.178 -19.758 1.00 17.07 C +ATOM 4262 CG PHE B 254 3.421 -16.485 -18.555 1.00 16.89 C +ATOM 4263 CD1 PHE B 254 2.775 -16.504 -17.322 1.00 22.92 C +ATOM 4264 CD2 PHE B 254 4.626 -15.824 -18.650 1.00 16.22 C +ATOM 4265 CE1 PHE B 254 3.318 -15.877 -16.205 1.00 18.35 C +ATOM 4266 CE2 PHE B 254 5.178 -15.196 -17.537 1.00 18.28 C +ATOM 4267 CZ PHE B 254 4.519 -15.223 -16.310 1.00 9.27 C +ATOM 4268 H PHE B 254 0.003 -16.835 -19.092 1.00 15.00 H +ATOM 4269 N ILE B 255 1.364 -17.250 -22.640 1.00 4.13 N +ATOM 4270 CA ILE B 255 0.690 -18.000 -23.680 1.00 2.86 C +ATOM 4271 C ILE B 255 1.717 -18.835 -24.434 1.00 5.80 C +ATOM 4272 O ILE B 255 2.871 -18.443 -24.543 1.00 2.70 O +ATOM 4273 CB ILE B 255 -0.059 -17.005 -24.614 1.00 10.70 C +ATOM 4274 CG1 ILE B 255 -1.019 -17.725 -25.560 1.00 11.81 C +ATOM 4275 CG2 ILE B 255 0.925 -16.147 -25.374 1.00 18.65 C +ATOM 4276 CD1 ILE B 255 -2.394 -17.097 -25.538 1.00 6.57 C +ATOM 4277 H ILE B 255 2.169 -16.746 -22.881 1.00 15.00 H +ATOM 4278 N PHE B 256 1.317 -20.010 -24.906 1.00 2.00 N +ATOM 4279 CA PHE B 256 2.239 -20.877 -25.611 1.00 2.00 C +ATOM 4280 C PHE B 256 1.706 -21.511 -26.883 1.00 2.00 C +ATOM 4281 O PHE B 256 0.583 -21.992 -26.944 1.00 8.38 O +ATOM 4282 CB PHE B 256 2.737 -21.961 -24.667 1.00 16.88 C +ATOM 4283 CG PHE B 256 3.294 -21.424 -23.402 1.00 18.17 C +ATOM 4284 CD1 PHE B 256 2.443 -20.970 -22.391 1.00 27.27 C +ATOM 4285 CD2 PHE B 256 4.663 -21.300 -23.235 1.00 14.14 C +ATOM 4286 CE1 PHE B 256 2.951 -20.385 -21.221 1.00 24.01 C +ATOM 4287 CE2 PHE B 256 5.183 -20.718 -22.069 1.00 16.97 C +ATOM 4288 CZ PHE B 256 4.323 -20.259 -21.062 1.00 14.62 C +ATOM 4289 H PHE B 256 0.384 -20.290 -24.795 1.00 15.00 H +ATOM 4290 N PRO B 257 2.534 -21.542 -27.919 1.00 2.73 N +ATOM 4291 CA PRO B 257 2.202 -22.109 -29.222 1.00 5.08 C +ATOM 4292 C PRO B 257 2.204 -23.601 -29.152 1.00 2.00 C +ATOM 4293 O PRO B 257 2.748 -24.179 -28.220 1.00 20.84 O +ATOM 4294 CB PRO B 257 3.373 -21.672 -30.078 1.00 2.00 C +ATOM 4295 CG PRO B 257 4.491 -21.769 -29.135 1.00 2.00 C +ATOM 4296 CD PRO B 257 3.942 -21.125 -27.884 1.00 8.71 C +ATOM 4297 N PRO B 258 1.528 -24.243 -30.093 1.00 2.00 N +ATOM 4298 CA PRO B 258 1.502 -25.702 -30.097 1.00 11.16 C +ATOM 4299 C PRO B 258 2.841 -26.212 -30.617 1.00 7.87 C +ATOM 4300 O PRO B 258 3.585 -25.490 -31.267 1.00 13.55 O +ATOM 4301 CB PRO B 258 0.351 -26.024 -31.051 1.00 8.79 C +ATOM 4302 CG PRO B 258 0.310 -24.862 -31.947 1.00 7.59 C +ATOM 4303 CD PRO B 258 0.509 -23.707 -31.002 1.00 8.12 C +ATOM 4304 N LYS B 259 3.171 -27.448 -30.303 1.00 9.91 N +ATOM 4305 CA LYS B 259 4.436 -27.967 -30.751 1.00 20.30 C +ATOM 4306 C LYS B 259 4.338 -28.129 -32.237 1.00 13.47 C +ATOM 4307 O LYS B 259 3.336 -28.634 -32.733 1.00 23.50 O +ATOM 4308 CB LYS B 259 4.737 -29.308 -30.076 1.00 34.52 C +ATOM 4309 CG LYS B 259 4.907 -29.189 -28.574 1.00 38.01 C +ATOM 4310 CD LYS B 259 6.086 -28.295 -28.230 1.00 40.23 C +ATOM 4311 CE LYS B 259 5.968 -27.778 -26.816 1.00 43.83 C +ATOM 4312 NZ LYS B 259 5.576 -28.863 -25.874 1.00 36.57 N +ATOM 4313 H LYS B 259 2.558 -28.001 -29.784 1.00 15.00 H +ATOM 4314 HZ1 LYS B 259 6.247 -29.654 -25.943 1.00 15.00 H +ATOM 4315 HZ2 LYS B 259 5.569 -28.503 -24.900 1.00 15.00 H +ATOM 4316 HZ3 LYS B 259 4.621 -29.193 -26.115 1.00 15.00 H +ATOM 4317 N ILE B 260 5.382 -27.726 -32.947 1.00 14.67 N +ATOM 4318 CA ILE B 260 5.395 -27.849 -34.393 1.00 14.93 C +ATOM 4319 C ILE B 260 5.096 -29.285 -34.838 1.00 19.80 C +ATOM 4320 O ILE B 260 4.646 -29.511 -35.960 1.00 32.54 O +ATOM 4321 CB ILE B 260 6.725 -27.370 -34.993 1.00 8.59 C +ATOM 4322 CG1 ILE B 260 6.557 -27.131 -36.481 1.00 6.64 C +ATOM 4323 CG2 ILE B 260 7.802 -28.376 -34.749 1.00 17.88 C +ATOM 4324 CD1 ILE B 260 5.359 -26.293 -36.779 1.00 2.00 C +ATOM 4325 H ILE B 260 6.141 -27.307 -32.494 1.00 15.00 H +ATOM 4326 N LYS B 261 5.302 -30.252 -33.952 1.00 20.91 N +ATOM 4327 CA LYS B 261 5.020 -31.638 -34.316 1.00 31.27 C +ATOM 4328 C LYS B 261 3.516 -31.889 -34.426 1.00 29.56 C +ATOM 4329 O LYS B 261 3.051 -32.481 -35.400 1.00 34.40 O +ATOM 4330 CB LYS B 261 5.657 -32.628 -33.327 1.00 38.90 C +ATOM 4331 CG LYS B 261 5.756 -34.047 -33.892 1.00 42.45 C +ATOM 4332 CD LYS B 261 6.404 -35.021 -32.930 1.00 48.83 C +ATOM 4333 CE LYS B 261 6.656 -36.353 -33.621 1.00 56.51 C +ATOM 4334 NZ LYS B 261 7.152 -37.386 -32.667 1.00 65.61 N +ATOM 4335 H LYS B 261 5.660 -30.042 -33.072 1.00 15.00 H +ATOM 4336 HZ1 LYS B 261 8.041 -37.068 -32.230 1.00 15.00 H +ATOM 4337 HZ2 LYS B 261 6.440 -37.547 -31.927 1.00 15.00 H +ATOM 4338 HZ3 LYS B 261 7.317 -38.275 -33.184 1.00 15.00 H +ATOM 4339 N ASP B 262 2.763 -31.409 -33.439 1.00 26.71 N +ATOM 4340 CA ASP B 262 1.317 -31.584 -33.409 1.00 21.09 C +ATOM 4341 C ASP B 262 0.689 -30.961 -34.648 1.00 27.76 C +ATOM 4342 O ASP B 262 -0.105 -31.599 -35.347 1.00 32.24 O +ATOM 4343 CB ASP B 262 0.715 -30.917 -32.170 1.00 23.69 C +ATOM 4344 CG ASP B 262 1.243 -31.486 -30.861 1.00 23.57 C +ATOM 4345 OD1 ASP B 262 1.656 -32.673 -30.837 1.00 2.40 O +ATOM 4346 OD2 ASP B 262 1.218 -30.729 -29.852 1.00 19.94 O +ATOM 4347 H ASP B 262 3.190 -30.895 -32.729 1.00 15.00 H +ATOM 4348 N VAL B 263 1.080 -29.720 -34.922 1.00 21.01 N +ATOM 4349 CA VAL B 263 0.571 -28.957 -36.059 1.00 16.62 C +ATOM 4350 C VAL B 263 0.872 -29.519 -37.446 1.00 16.85 C +ATOM 4351 O VAL B 263 0.026 -29.457 -38.333 1.00 24.67 O +ATOM 4352 CB VAL B 263 1.060 -27.503 -36.008 1.00 10.38 C +ATOM 4353 CG1 VAL B 263 0.675 -26.777 -37.268 1.00 23.86 C +ATOM 4354 CG2 VAL B 263 0.471 -26.794 -34.813 1.00 11.70 C +ATOM 4355 H VAL B 263 1.748 -29.307 -34.334 1.00 15.00 H +ATOM 4356 N LEU B 264 2.079 -30.012 -37.667 1.00 17.08 N +ATOM 4357 CA LEU B 264 2.395 -30.541 -38.975 1.00 16.61 C +ATOM 4358 C LEU B 264 1.875 -31.951 -39.139 1.00 15.76 C +ATOM 4359 O LEU B 264 1.754 -32.427 -40.264 1.00 26.26 O +ATOM 4360 CB LEU B 264 3.899 -30.508 -39.228 1.00 20.65 C +ATOM 4361 CG LEU B 264 4.539 -29.122 -39.123 1.00 24.39 C +ATOM 4362 CD1 LEU B 264 6.043 -29.213 -39.320 1.00 34.87 C +ATOM 4363 CD2 LEU B 264 3.929 -28.200 -40.136 1.00 24.73 C +ATOM 4364 H LEU B 264 2.765 -30.015 -36.966 1.00 15.00 H +ATOM 4365 N MET B 265 1.559 -32.617 -38.032 1.00 11.10 N +ATOM 4366 CA MET B 265 1.080 -33.989 -38.098 1.00 18.85 C +ATOM 4367 C MET B 265 -0.414 -34.129 -38.000 1.00 31.38 C +ATOM 4368 O MET B 265 -1.016 -33.877 -36.954 1.00 37.05 O +ATOM 4369 CB MET B 265 1.739 -34.851 -37.034 1.00 25.60 C +ATOM 4370 CG MET B 265 3.181 -35.177 -37.332 1.00 45.46 C +ATOM 4371 SD MET B 265 3.362 -35.887 -38.973 1.00 63.12 S +ATOM 4372 CE MET B 265 4.554 -34.783 -39.734 1.00 57.01 C +ATOM 4373 H MET B 265 1.637 -32.199 -37.150 1.00 15.00 H +ATOM 4374 N ILE B 266 -0.996 -34.591 -39.096 1.00 40.35 N +ATOM 4375 CA ILE B 266 -2.430 -34.806 -39.206 1.00 46.82 C +ATOM 4376 C ILE B 266 -3.029 -35.502 -37.984 1.00 44.92 C +ATOM 4377 O ILE B 266 -3.925 -34.966 -37.329 1.00 48.02 O +ATOM 4378 CB ILE B 266 -2.737 -35.637 -40.463 1.00 57.93 C +ATOM 4379 CG1 ILE B 266 -1.856 -36.895 -40.493 1.00 70.07 C +ATOM 4380 CG2 ILE B 266 -2.465 -34.804 -41.705 1.00 66.72 C +ATOM 4381 CD1 ILE B 266 -2.245 -37.915 -41.548 1.00 83.52 C +ATOM 4382 H ILE B 266 -0.409 -34.765 -39.862 1.00 15.00 H +ATOM 4383 N SER B 267 -2.478 -36.662 -37.652 1.00 37.57 N +ATOM 4384 CA SER B 267 -2.942 -37.466 -36.535 1.00 37.93 C +ATOM 4385 C SER B 267 -2.875 -36.778 -35.178 1.00 36.11 C +ATOM 4386 O SER B 267 -3.735 -36.990 -34.323 1.00 34.80 O +ATOM 4387 CB SER B 267 -2.140 -38.764 -36.490 1.00 44.63 C +ATOM 4388 OG SER B 267 -0.760 -38.508 -36.701 1.00 48.50 O +ATOM 4389 H SER B 267 -1.689 -37.008 -38.109 1.00 15.00 H +ATOM 4390 HG SER B 267 -0.262 -39.327 -36.596 1.00 15.00 H +ATOM 4391 N LEU B 268 -1.838 -35.979 -34.971 1.00 31.20 N +ATOM 4392 CA LEU B 268 -1.668 -35.297 -33.700 1.00 30.16 C +ATOM 4393 C LEU B 268 -2.764 -34.293 -33.452 1.00 25.79 C +ATOM 4394 O LEU B 268 -3.604 -34.053 -34.313 1.00 32.53 O +ATOM 4395 CB LEU B 268 -0.289 -34.633 -33.608 1.00 35.44 C +ATOM 4396 CG LEU B 268 0.849 -35.568 -33.169 1.00 40.94 C +ATOM 4397 CD1 LEU B 268 0.907 -36.786 -34.068 1.00 43.99 C +ATOM 4398 CD2 LEU B 268 2.185 -34.854 -33.180 1.00 42.93 C +ATOM 4399 H LEU B 268 -1.209 -35.814 -35.701 1.00 15.00 H +ATOM 4400 N SER B 269 -2.754 -33.716 -32.256 1.00 32.82 N +ATOM 4401 CA SER B 269 -3.751 -32.733 -31.858 1.00 30.52 C +ATOM 4402 C SER B 269 -3.090 -31.526 -31.193 1.00 32.92 C +ATOM 4403 O SER B 269 -2.719 -31.568 -30.021 1.00 42.04 O +ATOM 4404 CB SER B 269 -4.754 -33.374 -30.905 1.00 28.29 C +ATOM 4405 OG SER B 269 -5.224 -34.603 -31.439 1.00 43.70 O +ATOM 4406 H SER B 269 -2.070 -33.967 -31.607 1.00 15.00 H +ATOM 4407 HG SER B 269 -5.512 -34.505 -32.355 1.00 15.00 H +ATOM 4408 N PRO B 270 -2.900 -30.445 -31.959 1.00 30.64 N +ATOM 4409 CA PRO B 270 -2.290 -29.192 -31.523 1.00 18.60 C +ATOM 4410 C PRO B 270 -3.229 -28.456 -30.589 1.00 12.36 C +ATOM 4411 O PRO B 270 -4.449 -28.539 -30.747 1.00 10.87 O +ATOM 4412 CB PRO B 270 -2.129 -28.454 -32.830 1.00 24.38 C +ATOM 4413 CG PRO B 270 -3.362 -28.868 -33.561 1.00 32.07 C +ATOM 4414 CD PRO B 270 -3.353 -30.338 -33.355 1.00 29.28 C +ATOM 4415 N ILE B 271 -2.655 -27.735 -29.630 1.00 2.00 N +ATOM 4416 CA ILE B 271 -3.429 -27.000 -28.643 1.00 3.82 C +ATOM 4417 C ILE B 271 -2.681 -25.740 -28.282 1.00 5.25 C +ATOM 4418 O ILE B 271 -1.468 -25.686 -28.452 1.00 13.24 O +ATOM 4419 CB ILE B 271 -3.754 -27.863 -27.361 1.00 8.35 C +ATOM 4420 CG1 ILE B 271 -3.467 -27.083 -26.085 1.00 2.00 C +ATOM 4421 CG2 ILE B 271 -3.002 -29.184 -27.363 1.00 4.61 C +ATOM 4422 CD1 ILE B 271 -3.390 -27.958 -24.879 1.00 19.48 C +ATOM 4423 H ILE B 271 -1.682 -27.654 -29.579 1.00 15.00 H +ATOM 4424 N VAL B 272 -3.417 -24.713 -27.870 1.00 2.00 N +ATOM 4425 CA VAL B 272 -2.842 -23.442 -27.490 1.00 2.60 C +ATOM 4426 C VAL B 272 -3.098 -23.302 -26.015 1.00 11.11 C +ATOM 4427 O VAL B 272 -4.248 -23.325 -25.573 1.00 18.45 O +ATOM 4428 CB VAL B 272 -3.500 -22.285 -28.232 1.00 2.00 C +ATOM 4429 CG1 VAL B 272 -3.032 -20.952 -27.658 1.00 2.00 C +ATOM 4430 CG2 VAL B 272 -3.154 -22.375 -29.679 1.00 2.00 C +ATOM 4431 H VAL B 272 -4.380 -24.807 -27.792 1.00 15.00 H +ATOM 4432 N THR B 273 -2.015 -23.131 -25.266 1.00 18.50 N +ATOM 4433 CA THR B 273 -2.051 -23.030 -23.817 1.00 9.13 C +ATOM 4434 C THR B 273 -1.922 -21.615 -23.282 1.00 11.48 C +ATOM 4435 O THR B 273 -1.163 -20.801 -23.800 1.00 22.66 O +ATOM 4436 CB THR B 273 -0.902 -23.842 -23.231 1.00 2.00 C +ATOM 4437 OG1 THR B 273 -0.769 -25.079 -23.948 1.00 9.21 O +ATOM 4438 CG2 THR B 273 -1.156 -24.123 -21.803 1.00 2.00 C +ATOM 4439 H THR B 273 -1.148 -23.061 -25.721 1.00 15.00 H +ATOM 4440 HG1 THR B 273 -0.381 -24.978 -24.831 1.00 15.00 H +ATOM 4441 N CYS B 274 -2.649 -21.338 -22.218 1.00 3.09 N +ATOM 4442 CA CYS B 274 -2.587 -20.053 -21.583 1.00 16.24 C +ATOM 4443 C CYS B 274 -2.469 -20.451 -20.116 1.00 20.19 C +ATOM 4444 O CYS B 274 -3.286 -21.214 -19.614 1.00 34.19 O +ATOM 4445 CB CYS B 274 -3.862 -19.242 -21.869 1.00 18.15 C +ATOM 4446 SG CYS B 274 -3.541 -17.456 -21.899 1.00 29.23 S +ATOM 4447 H CYS B 274 -3.254 -22.011 -21.837 1.00 15.00 H +ATOM 4448 N VAL B 275 -1.404 -20.015 -19.460 1.00 17.35 N +ATOM 4449 CA VAL B 275 -1.139 -20.349 -18.064 1.00 6.38 C +ATOM 4450 C VAL B 275 -1.184 -19.103 -17.197 1.00 7.84 C +ATOM 4451 O VAL B 275 -0.587 -18.095 -17.545 1.00 25.01 O +ATOM 4452 CB VAL B 275 0.240 -20.938 -17.975 1.00 3.75 C +ATOM 4453 CG1 VAL B 275 0.540 -21.381 -16.573 1.00 8.25 C +ATOM 4454 CG2 VAL B 275 0.366 -22.046 -18.981 1.00 2.00 C +ATOM 4455 H VAL B 275 -0.771 -19.427 -19.923 1.00 15.00 H +ATOM 4456 N VAL B 276 -1.872 -19.173 -16.067 1.00 3.87 N +ATOM 4457 CA VAL B 276 -2.015 -18.031 -15.175 1.00 2.00 C +ATOM 4458 C VAL B 276 -1.324 -18.357 -13.880 1.00 9.79 C +ATOM 4459 O VAL B 276 -1.725 -19.298 -13.202 1.00 22.44 O +ATOM 4460 CB VAL B 276 -3.481 -17.830 -14.813 1.00 3.89 C +ATOM 4461 CG1 VAL B 276 -3.656 -16.564 -13.995 1.00 2.00 C +ATOM 4462 CG2 VAL B 276 -4.344 -17.848 -16.061 1.00 2.00 C +ATOM 4463 H VAL B 276 -2.278 -20.022 -15.800 1.00 15.00 H +ATOM 4464 N VAL B 277 -0.305 -17.593 -13.513 1.00 10.30 N +ATOM 4465 CA VAL B 277 0.393 -17.872 -12.269 1.00 12.22 C +ATOM 4466 C VAL B 277 0.065 -16.851 -11.195 1.00 19.09 C +ATOM 4467 O VAL B 277 -0.491 -15.793 -11.477 1.00 9.70 O +ATOM 4468 CB VAL B 277 1.916 -17.931 -12.433 1.00 2.00 C +ATOM 4469 CG1 VAL B 277 2.295 -18.854 -13.558 1.00 2.00 C +ATOM 4470 CG2 VAL B 277 2.469 -16.551 -12.654 1.00 27.91 C +ATOM 4471 H VAL B 277 -0.024 -16.858 -14.080 1.00 15.00 H +ATOM 4472 N ASP B 278 0.445 -17.191 -9.968 1.00 23.99 N +ATOM 4473 CA ASP B 278 0.216 -16.373 -8.789 1.00 21.07 C +ATOM 4474 C ASP B 278 -1.278 -16.172 -8.520 1.00 17.83 C +ATOM 4475 O ASP B 278 -1.753 -15.057 -8.364 1.00 18.77 O +ATOM 4476 CB ASP B 278 0.994 -15.038 -8.858 1.00 28.28 C +ATOM 4477 CG ASP B 278 2.532 -15.229 -8.804 1.00 36.85 C +ATOM 4478 OD1 ASP B 278 3.005 -16.376 -8.655 1.00 42.48 O +ATOM 4479 OD2 ASP B 278 3.280 -14.227 -8.914 1.00 41.35 O +ATOM 4480 H ASP B 278 0.885 -18.053 -9.855 1.00 15.00 H +ATOM 4481 N VAL B 279 -2.018 -17.273 -8.471 1.00 14.40 N +ATOM 4482 CA VAL B 279 -3.443 -17.206 -8.176 1.00 15.40 C +ATOM 4483 C VAL B 279 -3.595 -17.351 -6.678 1.00 19.85 C +ATOM 4484 O VAL B 279 -3.065 -18.297 -6.094 1.00 17.51 O +ATOM 4485 CB VAL B 279 -4.231 -18.364 -8.782 1.00 22.95 C +ATOM 4486 CG1 VAL B 279 -5.712 -18.094 -8.592 1.00 17.76 C +ATOM 4487 CG2 VAL B 279 -3.869 -18.587 -10.257 1.00 25.84 C +ATOM 4488 H VAL B 279 -1.615 -18.153 -8.625 1.00 15.00 H +ATOM 4489 N SER B 280 -4.338 -16.441 -6.058 1.00 31.64 N +ATOM 4490 CA SER B 280 -4.545 -16.488 -4.614 1.00 33.85 C +ATOM 4491 C SER B 280 -5.352 -17.717 -4.263 1.00 34.50 C +ATOM 4492 O SER B 280 -6.363 -18.005 -4.901 1.00 41.72 O +ATOM 4493 CB SER B 280 -5.281 -15.236 -4.131 1.00 41.16 C +ATOM 4494 OG SER B 280 -5.764 -15.388 -2.803 1.00 49.10 O +ATOM 4495 H SER B 280 -4.771 -15.748 -6.594 1.00 15.00 H +ATOM 4496 HG SER B 280 -6.064 -14.518 -2.502 1.00 15.00 H +ATOM 4497 N GLU B 281 -4.919 -18.434 -3.237 1.00 28.16 N +ATOM 4498 CA GLU B 281 -5.638 -19.623 -2.819 1.00 26.52 C +ATOM 4499 C GLU B 281 -7.069 -19.295 -2.393 1.00 25.38 C +ATOM 4500 O GLU B 281 -7.912 -20.182 -2.330 1.00 31.41 O +ATOM 4501 CB GLU B 281 -4.927 -20.302 -1.647 1.00 38.24 C +ATOM 4502 CG GLU B 281 -3.526 -20.824 -1.924 1.00 44.50 C +ATOM 4503 CD GLU B 281 -2.979 -21.654 -0.764 1.00 46.71 C +ATOM 4504 OE1 GLU B 281 -3.365 -21.364 0.397 1.00 50.25 O +ATOM 4505 OE2 GLU B 281 -2.179 -22.595 -1.019 1.00 41.21 O +ATOM 4506 H GLU B 281 -4.102 -18.172 -2.769 1.00 15.00 H +ATOM 4507 N ASP B 282 -7.341 -18.033 -2.073 1.00 31.69 N +ATOM 4508 CA ASP B 282 -8.680 -17.631 -1.636 1.00 46.96 C +ATOM 4509 C ASP B 282 -9.615 -17.181 -2.758 1.00 50.38 C +ATOM 4510 O ASP B 282 -10.793 -16.906 -2.524 1.00 54.56 O +ATOM 4511 CB ASP B 282 -8.583 -16.544 -0.563 1.00 60.04 C +ATOM 4512 CG ASP B 282 -8.105 -17.086 0.772 1.00 71.92 C +ATOM 4513 OD1 ASP B 282 -6.873 -17.139 0.987 1.00 82.13 O +ATOM 4514 OD2 ASP B 282 -8.960 -17.474 1.601 1.00 77.45 O +ATOM 4515 H ASP B 282 -6.644 -17.347 -2.138 1.00 15.00 H +ATOM 4516 N ASP B 283 -9.091 -17.121 -3.975 1.00 49.91 N +ATOM 4517 CA ASP B 283 -9.865 -16.710 -5.140 1.00 48.67 C +ATOM 4518 C ASP B 283 -9.370 -17.584 -6.299 1.00 42.24 C +ATOM 4519 O ASP B 283 -8.699 -17.103 -7.214 1.00 45.19 O +ATOM 4520 CB ASP B 283 -9.601 -15.221 -5.440 1.00 64.65 C +ATOM 4521 CG ASP B 283 -10.880 -14.379 -5.514 1.00 78.61 C +ATOM 4522 OD1 ASP B 283 -11.935 -14.817 -4.998 1.00 87.73 O +ATOM 4523 OD2 ASP B 283 -10.820 -13.260 -6.079 1.00 80.38 O +ATOM 4524 H ASP B 283 -8.155 -17.380 -4.115 1.00 15.00 H +ATOM 4525 N PRO B 284 -9.663 -18.892 -6.251 1.00 30.36 N +ATOM 4526 CA PRO B 284 -9.241 -19.831 -7.292 1.00 29.78 C +ATOM 4527 C PRO B 284 -10.110 -19.836 -8.550 1.00 30.67 C +ATOM 4528 O PRO B 284 -9.770 -20.497 -9.532 1.00 25.85 O +ATOM 4529 CB PRO B 284 -9.332 -21.173 -6.575 1.00 22.15 C +ATOM 4530 CG PRO B 284 -10.547 -20.992 -5.755 1.00 25.85 C +ATOM 4531 CD PRO B 284 -10.335 -19.613 -5.157 1.00 27.93 C +ATOM 4532 N ASP B 285 -11.238 -19.132 -8.520 1.00 29.95 N +ATOM 4533 CA ASP B 285 -12.134 -19.112 -9.675 1.00 33.73 C +ATOM 4534 C ASP B 285 -11.927 -17.974 -10.678 1.00 35.79 C +ATOM 4535 O ASP B 285 -12.718 -17.016 -10.744 1.00 38.03 O +ATOM 4536 CB ASP B 285 -13.595 -19.175 -9.219 1.00 25.67 C +ATOM 4537 CG ASP B 285 -14.027 -20.577 -8.850 1.00 17.91 C +ATOM 4538 OD1 ASP B 285 -13.439 -21.553 -9.380 1.00 12.31 O +ATOM 4539 OD2 ASP B 285 -14.964 -20.698 -8.038 1.00 21.08 O +ATOM 4540 H ASP B 285 -11.471 -18.599 -7.738 1.00 15.00 H +ATOM 4541 N VAL B 286 -10.867 -18.096 -11.471 1.00 26.26 N +ATOM 4542 CA VAL B 286 -10.574 -17.088 -12.467 1.00 26.90 C +ATOM 4543 C VAL B 286 -11.330 -17.388 -13.740 1.00 35.65 C +ATOM 4544 O VAL B 286 -11.503 -18.551 -14.138 1.00 41.77 O +ATOM 4545 CB VAL B 286 -9.080 -16.981 -12.758 1.00 21.37 C +ATOM 4546 CG1 VAL B 286 -8.383 -16.357 -11.575 1.00 21.34 C +ATOM 4547 CG2 VAL B 286 -8.501 -18.340 -13.049 1.00 19.44 C +ATOM 4548 H VAL B 286 -10.314 -18.899 -11.388 1.00 15.00 H +ATOM 4549 N GLN B 287 -11.792 -16.321 -14.369 1.00 34.77 N +ATOM 4550 CA GLN B 287 -12.558 -16.421 -15.595 1.00 30.61 C +ATOM 4551 C GLN B 287 -11.623 -16.324 -16.796 1.00 21.69 C +ATOM 4552 O GLN B 287 -11.061 -15.263 -17.076 1.00 21.37 O +ATOM 4553 CB GLN B 287 -13.593 -15.289 -15.630 1.00 50.71 C +ATOM 4554 CG GLN B 287 -14.453 -15.181 -14.363 1.00 67.63 C +ATOM 4555 CD GLN B 287 -14.605 -13.748 -13.862 1.00 77.18 C +ATOM 4556 OE1 GLN B 287 -14.521 -12.788 -14.631 1.00 80.93 O +ATOM 4557 NE2 GLN B 287 -14.819 -13.599 -12.560 1.00 87.98 N +ATOM 4558 H GLN B 287 -11.593 -15.433 -14.006 1.00 15.00 H +ATOM 4559 HE21 GLN B 287 -14.952 -12.697 -12.215 1.00 15.00 H +ATOM 4560 HE22 GLN B 287 -14.844 -14.413 -12.013 1.00 15.00 H +ATOM 4561 N ILE B 288 -11.420 -17.445 -17.474 1.00 18.65 N +ATOM 4562 CA ILE B 288 -10.556 -17.481 -18.651 1.00 8.03 C +ATOM 4563 C ILE B 288 -11.459 -17.535 -19.866 1.00 14.38 C +ATOM 4564 O ILE B 288 -12.247 -18.477 -20.043 1.00 17.43 O +ATOM 4565 CB ILE B 288 -9.608 -18.715 -18.645 1.00 10.42 C +ATOM 4566 CG1 ILE B 288 -8.730 -18.673 -17.394 1.00 15.58 C +ATOM 4567 CG2 ILE B 288 -8.767 -18.763 -19.916 1.00 2.00 C +ATOM 4568 CD1 ILE B 288 -7.489 -19.511 -17.469 1.00 21.36 C +ATOM 4569 H ILE B 288 -11.876 -18.264 -17.194 1.00 15.00 H +ATOM 4570 N SER B 289 -11.355 -16.497 -20.684 1.00 23.00 N +ATOM 4571 CA SER B 289 -12.151 -16.367 -21.892 1.00 18.15 C +ATOM 4572 C SER B 289 -11.182 -16.503 -23.051 1.00 10.43 C +ATOM 4573 O SER B 289 -10.119 -15.877 -23.047 1.00 11.11 O +ATOM 4574 CB SER B 289 -12.825 -14.983 -21.921 1.00 25.40 C +ATOM 4575 OG SER B 289 -12.888 -14.380 -20.625 1.00 27.47 O +ATOM 4576 H SER B 289 -10.712 -15.798 -20.475 1.00 15.00 H +ATOM 4577 HG SER B 289 -11.995 -14.246 -20.275 1.00 15.00 H +ATOM 4578 N TRP B 290 -11.533 -17.337 -24.021 1.00 2.00 N +ATOM 4579 CA TRP B 290 -10.688 -17.545 -25.177 1.00 2.00 C +ATOM 4580 C TRP B 290 -11.296 -16.912 -26.410 1.00 13.12 C +ATOM 4581 O TRP B 290 -12.519 -16.807 -26.500 1.00 25.15 O +ATOM 4582 CB TRP B 290 -10.523 -19.021 -25.414 1.00 8.37 C +ATOM 4583 CG TRP B 290 -9.410 -19.556 -24.693 1.00 16.31 C +ATOM 4584 CD1 TRP B 290 -9.423 -20.081 -23.443 1.00 12.34 C +ATOM 4585 CD2 TRP B 290 -8.069 -19.610 -25.146 1.00 18.63 C +ATOM 4586 NE1 TRP B 290 -8.166 -20.460 -23.086 1.00 14.67 N +ATOM 4587 CE2 TRP B 290 -7.309 -20.179 -24.118 1.00 20.64 C +ATOM 4588 CE3 TRP B 290 -7.431 -19.231 -26.327 1.00 25.17 C +ATOM 4589 CZ2 TRP B 290 -5.939 -20.380 -24.232 1.00 19.08 C +ATOM 4590 CZ3 TRP B 290 -6.073 -19.431 -26.439 1.00 20.65 C +ATOM 4591 CH2 TRP B 290 -5.342 -19.999 -25.399 1.00 21.99 C +ATOM 4592 H TRP B 290 -12.383 -17.821 -23.967 1.00 15.00 H +ATOM 4593 HE1 TRP B 290 -7.926 -20.924 -22.260 1.00 15.00 H +ATOM 4594 N PHE B 291 -10.455 -16.559 -27.384 1.00 13.10 N +ATOM 4595 CA PHE B 291 -10.905 -15.922 -28.621 1.00 2.04 C +ATOM 4596 C PHE B 291 -10.098 -16.252 -29.864 1.00 6.36 C +ATOM 4597 O PHE B 291 -8.979 -15.761 -30.013 1.00 19.26 O +ATOM 4598 CB PHE B 291 -10.825 -14.411 -28.477 1.00 5.62 C +ATOM 4599 CG PHE B 291 -11.864 -13.825 -27.588 1.00 5.34 C +ATOM 4600 CD1 PHE B 291 -13.168 -13.716 -28.021 1.00 8.58 C +ATOM 4601 CD2 PHE B 291 -11.532 -13.356 -26.330 1.00 2.00 C +ATOM 4602 CE1 PHE B 291 -14.135 -13.138 -27.204 1.00 28.98 C +ATOM 4603 CE2 PHE B 291 -12.473 -12.785 -25.513 1.00 16.07 C +ATOM 4604 CZ PHE B 291 -13.785 -12.672 -25.946 1.00 27.26 C +ATOM 4605 H PHE B 291 -9.496 -16.722 -27.260 1.00 15.00 H +ATOM 4606 N VAL B 292 -10.647 -17.034 -30.781 1.00 2.00 N +ATOM 4607 CA VAL B 292 -9.910 -17.286 -32.005 1.00 5.84 C +ATOM 4608 C VAL B 292 -10.280 -16.161 -32.946 1.00 11.14 C +ATOM 4609 O VAL B 292 -11.455 -15.937 -33.197 1.00 13.91 O +ATOM 4610 CB VAL B 292 -10.298 -18.600 -32.695 1.00 8.49 C +ATOM 4611 CG1 VAL B 292 -9.730 -18.627 -34.109 1.00 3.43 C +ATOM 4612 CG2 VAL B 292 -9.743 -19.765 -31.938 1.00 19.02 C +ATOM 4613 H VAL B 292 -11.552 -17.394 -30.666 1.00 15.00 H +ATOM 4614 N ASN B 295 -9.301 -15.382 -33.386 1.00 15.38 N +ATOM 4615 CA ASN B 295 -9.574 -14.298 -34.334 1.00 11.88 C +ATOM 4616 C ASN B 295 -10.587 -13.290 -33.846 1.00 11.76 C +ATOM 4617 O ASN B 295 -11.439 -12.851 -34.598 1.00 16.87 O +ATOM 4618 CB ASN B 295 -10.092 -14.880 -35.643 1.00 2.03 C +ATOM 4619 CG ASN B 295 -9.119 -14.731 -36.761 1.00 7.11 C +ATOM 4620 OD1 ASN B 295 -9.239 -15.406 -37.787 1.00 10.39 O +ATOM 4621 ND2 ASN B 295 -8.134 -13.848 -36.586 1.00 3.41 N +ATOM 4622 H ASN B 295 -8.398 -15.502 -33.019 1.00 15.00 H +ATOM 4623 HD21 ASN B 295 -7.521 -13.803 -37.340 1.00 15.00 H +ATOM 4624 HD22 ASN B 295 -8.035 -13.292 -35.787 1.00 15.00 H +ATOM 4625 N ASN B 296 -10.528 -12.964 -32.570 1.00 17.81 N +ATOM 4626 CA ASN B 296 -11.454 -12.000 -31.997 1.00 19.93 C +ATOM 4627 C ASN B 296 -12.899 -12.443 -31.933 1.00 17.83 C +ATOM 4628 O ASN B 296 -13.771 -11.662 -31.545 1.00 18.45 O +ATOM 4629 CB ASN B 296 -11.303 -10.636 -32.657 1.00 30.38 C +ATOM 4630 CG ASN B 296 -9.968 -9.987 -32.326 1.00 59.80 C +ATOM 4631 OD1 ASN B 296 -8.947 -10.672 -32.168 1.00 73.21 O +ATOM 4632 ND2 ASN B 296 -9.967 -8.669 -32.198 1.00 72.62 N +ATOM 4633 H ASN B 296 -9.837 -13.360 -32.003 1.00 15.00 H +ATOM 4634 HD21 ASN B 296 -9.120 -8.246 -31.964 1.00 15.00 H +ATOM 4635 HD22 ASN B 296 -10.816 -8.201 -32.339 1.00 15.00 H +ATOM 4636 N VAL B 299 -13.160 -13.696 -32.296 1.00 10.97 N +ATOM 4637 CA VAL B 299 -14.509 -14.216 -32.175 1.00 8.82 C +ATOM 4638 C VAL B 299 -14.442 -15.220 -31.039 1.00 12.72 C +ATOM 4639 O VAL B 299 -13.593 -16.098 -31.036 1.00 19.80 O +ATOM 4640 CB VAL B 299 -15.033 -14.887 -33.453 1.00 11.55 C +ATOM 4641 CG1 VAL B 299 -14.236 -16.124 -33.810 1.00 24.04 C +ATOM 4642 CG2 VAL B 299 -16.493 -15.248 -33.271 1.00 27.92 C +ATOM 4643 H VAL B 299 -12.470 -14.307 -32.635 1.00 15.00 H +ATOM 4644 N GLU B 300 -15.303 -15.050 -30.042 1.00 24.64 N +ATOM 4645 CA GLU B 300 -15.330 -15.937 -28.881 1.00 20.89 C +ATOM 4646 C GLU B 300 -15.588 -17.394 -29.200 1.00 18.40 C +ATOM 4647 O GLU B 300 -16.405 -17.734 -30.057 1.00 26.69 O +ATOM 4648 CB GLU B 300 -16.355 -15.454 -27.840 1.00 11.51 C +ATOM 4649 CG GLU B 300 -16.170 -16.088 -26.449 1.00 17.22 C +ATOM 4650 CD GLU B 300 -16.882 -15.338 -25.297 1.00 33.32 C +ATOM 4651 OE1 GLU B 300 -17.830 -14.554 -25.534 1.00 30.75 O +ATOM 4652 OE2 GLU B 300 -16.492 -15.548 -24.128 1.00 44.42 O +ATOM 4653 H GLU B 300 -15.938 -14.315 -30.100 1.00 15.00 H +ATOM 4654 N VAL B 301 -14.836 -18.256 -28.540 1.00 17.94 N +ATOM 4655 CA VAL B 301 -15.037 -19.682 -28.700 1.00 29.61 C +ATOM 4656 C VAL B 301 -15.407 -20.148 -27.313 1.00 42.15 C +ATOM 4657 O VAL B 301 -14.682 -20.912 -26.673 1.00 35.90 O +ATOM 4658 CB VAL B 301 -13.805 -20.401 -29.185 1.00 10.07 C +ATOM 4659 CG1 VAL B 301 -13.664 -20.201 -30.663 1.00 16.23 C +ATOM 4660 CG2 VAL B 301 -12.601 -19.921 -28.440 1.00 16.82 C +ATOM 4661 H VAL B 301 -14.136 -17.928 -27.934 1.00 15.00 H +ATOM 4662 N HIS B 302 -16.519 -19.603 -26.822 1.00 57.01 N +ATOM 4663 CA HIS B 302 -16.990 -19.949 -25.500 1.00 55.25 C +ATOM 4664 C HIS B 302 -17.034 -21.456 -25.529 1.00 52.61 C +ATOM 4665 O HIS B 302 -17.773 -22.045 -26.322 1.00 56.66 O +ATOM 4666 CB HIS B 302 -18.359 -19.338 -25.203 1.00 53.24 C +ATOM 4667 CG HIS B 302 -18.517 -18.909 -23.773 1.00 78.85 C +ATOM 4668 ND1 HIS B 302 -18.597 -17.585 -23.393 1.00 87.67 N +ATOM 4669 CD2 HIS B 302 -18.570 -19.630 -22.626 1.00 83.49 C +ATOM 4670 CE1 HIS B 302 -18.690 -17.509 -22.076 1.00 91.00 C +ATOM 4671 NE2 HIS B 302 -18.676 -18.736 -21.586 1.00 86.91 N +ATOM 4672 H HIS B 302 -17.017 -18.995 -27.405 1.00 15.00 H +ATOM 4673 HD1 HIS B 302 -18.601 -16.809 -23.995 1.00 15.00 H +ATOM 4674 HE2 HIS B 302 -18.770 -19.004 -20.643 1.00 15.00 H +ATOM 4675 N THR B 303 -16.061 -22.027 -24.822 1.00 48.83 N +ATOM 4676 CA THR B 303 -15.849 -23.457 -24.686 1.00 46.18 C +ATOM 4677 C THR B 303 -14.906 -23.908 -25.772 1.00 43.96 C +ATOM 4678 O THR B 303 -13.708 -23.966 -25.556 1.00 39.44 O +ATOM 4679 CB THR B 303 -17.148 -24.285 -24.787 1.00 57.82 C +ATOM 4680 OG1 THR B 303 -18.121 -23.778 -23.867 1.00 78.24 O +ATOM 4681 CG2 THR B 303 -16.887 -25.764 -24.478 1.00 53.91 C +ATOM 4682 H THR B 303 -15.396 -21.456 -24.390 1.00 15.00 H +ATOM 4683 HG1 THR B 303 -18.927 -24.193 -24.195 1.00 15.00 H +ATOM 4684 N ALA B 304 -15.448 -24.231 -26.942 1.00 51.96 N +ATOM 4685 CA ALA B 304 -14.658 -24.726 -28.067 1.00 56.78 C +ATOM 4686 C ALA B 304 -13.697 -25.793 -27.574 1.00 57.82 C +ATOM 4687 O ALA B 304 -12.713 -26.111 -28.235 1.00 63.54 O +ATOM 4688 CB ALA B 304 -13.899 -23.594 -28.716 1.00 68.23 C +ATOM 4689 H ALA B 304 -16.403 -24.077 -27.095 1.00 15.00 H +ATOM 4690 N GLN B 305 -14.058 -26.376 -26.431 1.00 62.94 N +ATOM 4691 CA GLN B 305 -13.301 -27.402 -25.714 1.00 64.57 C +ATOM 4692 C GLN B 305 -12.127 -26.837 -24.907 1.00 52.97 C +ATOM 4693 O GLN B 305 -11.108 -27.496 -24.750 1.00 68.02 O +ATOM 4694 CB GLN B 305 -12.844 -28.550 -26.637 1.00 81.53 C +ATOM 4695 CG GLN B 305 -13.958 -29.499 -27.118 1.00 99.15 C +ATOM 4696 CD GLN B 305 -14.362 -30.544 -26.083 1.00108.48 C +ATOM 4697 OE1 GLN B 305 -15.509 -30.580 -25.630 1.00110.29 O +ATOM 4698 NE2 GLN B 305 -13.424 -31.413 -25.723 1.00114.20 N +ATOM 4699 H GLN B 305 -14.918 -26.141 -26.053 1.00 15.00 H +ATOM 4700 HE21 GLN B 305 -13.693 -32.105 -25.090 1.00 15.00 H +ATOM 4701 HE22 GLN B 305 -12.533 -31.325 -26.117 1.00 15.00 H +ATOM 4702 N THR B 306 -12.278 -25.636 -24.366 1.00 28.43 N +ATOM 4703 CA THR B 306 -11.229 -25.055 -23.554 1.00 25.81 C +ATOM 4704 C THR B 306 -11.193 -25.881 -22.282 1.00 26.76 C +ATOM 4705 O THR B 306 -12.127 -25.823 -21.486 1.00 30.13 O +ATOM 4706 CB THR B 306 -11.580 -23.638 -23.148 1.00 39.18 C +ATOM 4707 OG1 THR B 306 -11.603 -22.795 -24.304 1.00 62.25 O +ATOM 4708 CG2 THR B 306 -10.568 -23.104 -22.153 1.00 53.95 C +ATOM 4709 H THR B 306 -13.115 -25.166 -24.401 1.00 15.00 H +ATOM 4710 HG1 THR B 306 -12.163 -23.182 -24.982 1.00 15.00 H +ATOM 4711 N GLN B 307 -10.141 -26.669 -22.100 1.00 27.02 N +ATOM 4712 CA GLN B 307 -10.005 -27.510 -20.914 1.00 27.14 C +ATOM 4713 C GLN B 307 -9.180 -26.826 -19.844 1.00 20.30 C +ATOM 4714 O GLN B 307 -7.955 -26.820 -19.911 1.00 30.63 O +ATOM 4715 CB GLN B 307 -9.320 -28.829 -21.270 1.00 32.89 C +ATOM 4716 CG GLN B 307 -9.865 -29.521 -22.502 1.00 29.19 C +ATOM 4717 CD GLN B 307 -11.262 -30.063 -22.306 1.00 33.93 C +ATOM 4718 OE1 GLN B 307 -12.057 -29.529 -21.524 1.00 35.16 O +ATOM 4719 NE2 GLN B 307 -11.574 -31.137 -23.020 1.00 47.29 N +ATOM 4720 H GLN B 307 -9.460 -26.701 -22.797 1.00 15.00 H +ATOM 4721 HE21 GLN B 307 -12.470 -31.514 -22.935 1.00 15.00 H +ATOM 4722 HE22 GLN B 307 -10.878 -31.496 -23.607 1.00 15.00 H +ATOM 4723 N THR B 308 -9.846 -26.249 -18.862 1.00 18.13 N +ATOM 4724 CA THR B 308 -9.153 -25.587 -17.775 1.00 25.65 C +ATOM 4725 C THR B 308 -9.189 -26.445 -16.523 1.00 29.23 C +ATOM 4726 O THR B 308 -10.027 -27.334 -16.397 1.00 44.02 O +ATOM 4727 CB THR B 308 -9.786 -24.248 -17.441 1.00 31.91 C +ATOM 4728 OG1 THR B 308 -9.285 -23.798 -16.176 1.00 29.45 O +ATOM 4729 CG2 THR B 308 -11.303 -24.369 -17.376 1.00 45.04 C +ATOM 4730 H THR B 308 -10.822 -26.308 -18.848 1.00 15.00 H +ATOM 4731 HG1 THR B 308 -9.906 -23.156 -15.807 1.00 15.00 H +ATOM 4732 N HIS B 309 -8.257 -26.185 -15.613 1.00 33.65 N +ATOM 4733 CA HIS B 309 -8.147 -26.896 -14.335 1.00 34.57 C +ATOM 4734 C HIS B 309 -6.899 -26.403 -13.631 1.00 18.67 C +ATOM 4735 O HIS B 309 -5.903 -26.154 -14.291 1.00 9.45 O +ATOM 4736 CB HIS B 309 -8.090 -28.419 -14.529 1.00 47.79 C +ATOM 4737 CG HIS B 309 -6.925 -28.900 -15.341 1.00 56.28 C +ATOM 4738 ND1 HIS B 309 -6.269 -28.106 -16.258 1.00 64.37 N +ATOM 4739 CD2 HIS B 309 -6.328 -30.117 -15.404 1.00 60.40 C +ATOM 4740 CE1 HIS B 309 -5.323 -28.812 -16.854 1.00 74.73 C +ATOM 4741 NE2 HIS B 309 -5.338 -30.036 -16.354 1.00 69.97 N +ATOM 4742 H HIS B 309 -7.638 -25.445 -15.792 1.00 15.00 H +ATOM 4743 HD1 HIS B 309 -6.439 -27.159 -16.464 1.00 15.00 H +ATOM 4744 HE2 HIS B 309 -4.751 -30.767 -16.633 1.00 15.00 H +ATOM 4745 N ARG B 310 -6.958 -26.265 -12.306 1.00 16.88 N +ATOM 4746 CA ARG B 310 -5.825 -25.765 -11.506 1.00 28.37 C +ATOM 4747 C ARG B 310 -4.815 -26.771 -10.931 1.00 25.76 C +ATOM 4748 O ARG B 310 -5.042 -27.976 -10.947 1.00 34.70 O +ATOM 4749 CB ARG B 310 -6.332 -24.894 -10.351 1.00 17.21 C +ATOM 4750 CG ARG B 310 -6.859 -23.544 -10.785 1.00 44.53 C +ATOM 4751 CD ARG B 310 -8.280 -23.625 -11.306 1.00 52.84 C +ATOM 4752 NE ARG B 310 -9.194 -24.023 -10.239 1.00 66.10 N +ATOM 4753 CZ ARG B 310 -9.940 -25.125 -10.253 1.00 67.71 C +ATOM 4754 NH1 ARG B 310 -9.902 -25.955 -11.295 1.00 68.08 N +ATOM 4755 NH2 ARG B 310 -10.674 -25.431 -9.189 1.00 62.02 N +ATOM 4756 H ARG B 310 -7.775 -26.509 -11.827 1.00 15.00 H +ATOM 4757 HE ARG B 310 -9.264 -23.435 -9.458 1.00 15.00 H +ATOM 4758 HH11 ARG B 310 -9.305 -25.765 -12.075 1.00 15.00 H +ATOM 4759 HH12 ARG B 310 -10.457 -26.786 -11.288 1.00 15.00 H +ATOM 4760 HH21 ARG B 310 -10.660 -24.831 -8.388 1.00 15.00 H +ATOM 4761 HH22 ARG B 310 -11.230 -26.262 -9.186 1.00 15.00 H +ATOM 4762 N GLU B 311 -3.693 -26.241 -10.444 1.00 28.77 N +ATOM 4763 CA GLU B 311 -2.635 -27.024 -9.796 1.00 29.82 C +ATOM 4764 C GLU B 311 -2.163 -26.189 -8.597 1.00 33.50 C +ATOM 4765 O GLU B 311 -2.046 -24.961 -8.713 1.00 39.58 O +ATOM 4766 CB GLU B 311 -1.427 -27.228 -10.715 1.00 24.15 C +ATOM 4767 CG GLU B 311 -1.712 -27.157 -12.196 1.00 14.77 C +ATOM 4768 CD GLU B 311 -2.253 -28.426 -12.754 1.00 11.80 C +ATOM 4769 OE1 GLU B 311 -2.458 -29.390 -11.986 1.00 35.68 O +ATOM 4770 OE2 GLU B 311 -2.463 -28.470 -13.978 1.00 18.35 O +ATOM 4771 H GLU B 311 -3.526 -25.278 -10.539 1.00 15.00 H +ATOM 4772 N ASP B 312 -1.977 -26.828 -7.441 1.00 30.59 N +ATOM 4773 CA ASP B 312 -1.473 -26.144 -6.246 1.00 28.66 C +ATOM 4774 C ASP B 312 0.060 -26.126 -6.438 1.00 30.20 C +ATOM 4775 O ASP B 312 0.561 -26.780 -7.360 1.00 24.76 O +ATOM 4776 CB ASP B 312 -1.857 -26.935 -4.971 1.00 37.38 C +ATOM 4777 CG ASP B 312 -3.254 -26.562 -4.411 1.00 38.66 C +ATOM 4778 OD1 ASP B 312 -3.991 -25.849 -5.124 1.00 41.64 O +ATOM 4779 OD2 ASP B 312 -3.607 -26.968 -3.260 1.00 12.06 O +ATOM 4780 H ASP B 312 -2.139 -27.795 -7.413 1.00 15.00 H +ATOM 4781 N TYR B 313 0.806 -25.384 -5.615 1.00 39.28 N +ATOM 4782 CA TYR B 313 2.267 -25.369 -5.768 1.00 47.14 C +ATOM 4783 C TYR B 313 3.184 -25.019 -4.566 1.00 54.81 C +ATOM 4784 O TYR B 313 3.014 -25.549 -3.455 1.00 54.55 O +ATOM 4785 CB TYR B 313 2.644 -24.522 -6.975 1.00 41.07 C +ATOM 4786 CG TYR B 313 3.881 -25.052 -7.644 1.00 53.57 C +ATOM 4787 CD1 TYR B 313 3.997 -26.406 -7.962 1.00 58.44 C +ATOM 4788 CD2 TYR B 313 4.943 -24.217 -7.936 1.00 57.94 C +ATOM 4789 CE1 TYR B 313 5.148 -26.909 -8.560 1.00 71.56 C +ATOM 4790 CE2 TYR B 313 6.097 -24.706 -8.529 1.00 72.52 C +ATOM 4791 CZ TYR B 313 6.200 -26.049 -8.844 1.00 77.22 C +ATOM 4792 OH TYR B 313 7.355 -26.506 -9.456 1.00 86.01 O +ATOM 4793 H TYR B 313 0.372 -24.854 -4.916 1.00 15.00 H +ATOM 4794 HH TYR B 313 7.293 -27.456 -9.608 1.00 15.00 H +ATOM 4795 N ASN B 314 4.223 -24.217 -4.844 1.00 63.03 N +ATOM 4796 CA ASN B 314 5.204 -23.740 -3.852 1.00 62.01 C +ATOM 4797 C ASN B 314 4.503 -23.181 -2.635 1.00 62.64 C +ATOM 4798 O ASN B 314 5.070 -23.173 -1.550 1.00 62.62 O +ATOM 4799 CB ASN B 314 6.122 -22.616 -4.440 1.00 62.95 C +ATOM 4800 CG ASN B 314 5.335 -21.327 -4.925 1.00 65.81 C +ATOM 4801 OD1 ASN B 314 4.139 -21.181 -4.674 1.00 75.78 O +ATOM 4802 ND2 ASN B 314 6.019 -20.402 -5.616 1.00 50.34 N +ATOM 4803 H ASN B 314 4.383 -23.844 -5.718 1.00 15.00 H +ATOM 4804 HD21 ASN B 314 6.686 -19.858 -5.152 1.00 15.00 H +ATOM 4805 N SER B 317 3.294 -22.659 -2.861 1.00 57.52 N +ATOM 4806 CA SER B 317 2.453 -22.022 -1.851 1.00 42.21 C +ATOM 4807 C SER B 317 1.262 -21.356 -2.538 1.00 43.63 C +ATOM 4808 O SER B 317 0.354 -20.869 -1.870 1.00 37.63 O +ATOM 4809 CB SER B 317 3.251 -20.930 -1.143 1.00 43.54 C +ATOM 4810 OG SER B 317 4.305 -20.441 -1.978 1.00 34.25 O +ATOM 4811 H SER B 317 2.961 -22.623 -3.769 1.00 15.00 H +ATOM 4812 HG SER B 317 5.003 -21.076 -1.790 1.00 15.00 H +ATOM 4813 N THR B 318 1.309 -21.285 -3.871 1.00 48.93 N +ATOM 4814 CA THR B 318 0.261 -20.661 -4.695 1.00 37.29 C +ATOM 4815 C THR B 318 -0.486 -21.654 -5.580 1.00 32.91 C +ATOM 4816 O THR B 318 -0.266 -22.864 -5.504 1.00 41.50 O +ATOM 4817 CB THR B 318 0.868 -19.635 -5.656 1.00 31.01 C +ATOM 4818 OG1 THR B 318 1.952 -20.246 -6.371 1.00 23.62 O +ATOM 4819 CG2 THR B 318 1.355 -18.410 -4.912 1.00 20.85 C +ATOM 4820 H THR B 318 2.090 -21.580 -4.378 1.00 15.00 H +ATOM 4821 HG1 THR B 318 1.577 -20.953 -6.905 1.00 15.00 H +ATOM 4822 N LEU B 319 -1.338 -21.110 -6.448 1.00 31.87 N +ATOM 4823 CA LEU B 319 -2.139 -21.875 -7.410 1.00 24.75 C +ATOM 4824 C LEU B 319 -1.781 -21.420 -8.816 1.00 21.35 C +ATOM 4825 O LEU B 319 -1.545 -20.226 -9.045 1.00 19.32 O +ATOM 4826 CB LEU B 319 -3.625 -21.577 -7.235 1.00 13.22 C +ATOM 4827 CG LEU B 319 -4.531 -22.454 -6.401 1.00 2.00 C +ATOM 4828 CD1 LEU B 319 -3.955 -22.630 -5.030 1.00 22.15 C +ATOM 4829 CD2 LEU B 319 -5.851 -21.749 -6.310 1.00 9.10 C +ATOM 4830 H LEU B 319 -1.515 -20.146 -6.482 1.00 15.00 H +ATOM 4831 N ARG B 320 -1.834 -22.353 -9.758 1.00 15.30 N +ATOM 4832 CA ARG B 320 -1.535 -22.081 -11.156 1.00 15.14 C +ATOM 4833 C ARG B 320 -2.663 -22.615 -12.022 1.00 20.80 C +ATOM 4834 O ARG B 320 -2.889 -23.823 -12.033 1.00 32.92 O +ATOM 4835 CB ARG B 320 -0.265 -22.818 -11.549 1.00 7.46 C +ATOM 4836 CG ARG B 320 -0.072 -22.901 -13.033 1.00 16.14 C +ATOM 4837 CD ARG B 320 1.286 -23.440 -13.400 1.00 25.30 C +ATOM 4838 NE ARG B 320 1.445 -24.797 -12.913 1.00 29.54 N +ATOM 4839 CZ ARG B 320 2.019 -25.098 -11.758 1.00 40.59 C +ATOM 4840 NH1 ARG B 320 2.494 -24.126 -10.982 1.00 34.26 N +ATOM 4841 NH2 ARG B 320 2.086 -26.364 -11.369 1.00 47.82 N +ATOM 4842 H ARG B 320 -2.087 -23.270 -9.529 1.00 15.00 H +ATOM 4843 HE ARG B 320 1.113 -25.535 -13.466 1.00 15.00 H +ATOM 4844 HH11 ARG B 320 2.423 -23.172 -11.269 1.00 15.00 H +ATOM 4845 HH12 ARG B 320 2.923 -24.353 -10.106 1.00 15.00 H +ATOM 4846 HH21 ARG B 320 1.701 -27.089 -11.940 1.00 15.00 H +ATOM 4847 HH22 ARG B 320 2.511 -26.592 -10.492 1.00 15.00 H +ATOM 4848 N VAL B 321 -3.375 -21.752 -12.741 1.00 14.56 N +ATOM 4849 CA VAL B 321 -4.453 -22.237 -13.606 1.00 9.92 C +ATOM 4850 C VAL B 321 -3.910 -22.503 -14.996 1.00 11.07 C +ATOM 4851 O VAL B 321 -3.137 -21.706 -15.526 1.00 21.60 O +ATOM 4852 CB VAL B 321 -5.591 -21.223 -13.757 1.00 4.89 C +ATOM 4853 CG1 VAL B 321 -6.776 -21.893 -14.425 1.00 8.24 C +ATOM 4854 CG2 VAL B 321 -5.989 -20.646 -12.405 1.00 6.69 C +ATOM 4855 H VAL B 321 -3.143 -20.798 -12.735 1.00 15.00 H +ATOM 4856 N VAL B 322 -4.317 -23.605 -15.600 1.00 2.00 N +ATOM 4857 CA VAL B 322 -3.840 -23.920 -16.933 1.00 5.10 C +ATOM 4858 C VAL B 322 -4.986 -24.174 -17.900 1.00 15.53 C +ATOM 4859 O VAL B 322 -5.656 -25.204 -17.831 1.00 22.05 O +ATOM 4860 CB VAL B 322 -2.902 -25.120 -16.904 1.00 2.00 C +ATOM 4861 CG1 VAL B 322 -2.672 -25.659 -18.312 1.00 2.00 C +ATOM 4862 CG2 VAL B 322 -1.587 -24.710 -16.271 1.00 2.00 C +ATOM 4863 H VAL B 322 -4.921 -24.233 -15.148 1.00 15.00 H +ATOM 4864 N SER B 323 -5.194 -23.232 -18.811 1.00 22.67 N +ATOM 4865 CA SER B 323 -6.260 -23.309 -19.809 1.00 18.92 C +ATOM 4866 C SER B 323 -5.712 -23.813 -21.143 1.00 18.57 C +ATOM 4867 O SER B 323 -4.770 -23.230 -21.699 1.00 22.81 O +ATOM 4868 CB SER B 323 -6.881 -21.919 -19.991 1.00 15.66 C +ATOM 4869 OG SER B 323 -8.191 -21.979 -20.525 1.00 10.13 O +ATOM 4870 H SER B 323 -4.597 -22.457 -18.836 1.00 15.00 H +ATOM 4871 HG SER B 323 -8.669 -21.168 -20.324 1.00 15.00 H +ATOM 4872 N ALA B 324 -6.317 -24.877 -21.662 1.00 12.07 N +ATOM 4873 CA ALA B 324 -5.881 -25.459 -22.921 1.00 11.91 C +ATOM 4874 C ALA B 324 -6.984 -25.415 -23.944 1.00 18.49 C +ATOM 4875 O ALA B 324 -8.063 -25.953 -23.728 1.00 19.89 O +ATOM 4876 CB ALA B 324 -5.466 -26.867 -22.711 1.00 13.63 C +ATOM 4877 H ALA B 324 -7.071 -25.296 -21.197 1.00 15.00 H +ATOM 4878 N LEU B 325 -6.693 -24.807 -25.080 1.00 22.26 N +ATOM 4879 CA LEU B 325 -7.665 -24.694 -26.145 1.00 11.70 C +ATOM 4880 C LEU B 325 -7.195 -25.485 -27.337 1.00 6.49 C +ATOM 4881 O LEU B 325 -6.151 -25.194 -27.886 1.00 11.22 O +ATOM 4882 CB LEU B 325 -7.798 -23.237 -26.556 1.00 17.86 C +ATOM 4883 CG LEU B 325 -8.690 -22.964 -27.762 1.00 19.58 C +ATOM 4884 CD1 LEU B 325 -10.115 -22.666 -27.324 1.00 13.67 C +ATOM 4885 CD2 LEU B 325 -8.137 -21.786 -28.489 1.00 11.60 C +ATOM 4886 H LEU B 325 -5.805 -24.407 -25.204 1.00 15.00 H +ATOM 4887 N PRO B 326 -7.918 -26.544 -27.705 1.00 4.26 N +ATOM 4888 CA PRO B 326 -7.588 -27.396 -28.849 1.00 5.09 C +ATOM 4889 C PRO B 326 -7.760 -26.550 -30.090 1.00 7.92 C +ATOM 4890 O PRO B 326 -8.645 -25.697 -30.148 1.00 17.97 O +ATOM 4891 CB PRO B 326 -8.680 -28.458 -28.813 1.00 2.00 C +ATOM 4892 CG PRO B 326 -9.082 -28.489 -27.410 1.00 2.06 C +ATOM 4893 CD PRO B 326 -9.102 -27.053 -27.013 1.00 2.00 C +ATOM 4894 N ILE B 327 -6.944 -26.801 -31.095 1.00 10.24 N +ATOM 4895 CA ILE B 327 -7.016 -26.027 -32.315 1.00 10.90 C +ATOM 4896 C ILE B 327 -7.075 -26.967 -33.492 1.00 20.52 C +ATOM 4897 O ILE B 327 -6.801 -28.168 -33.369 1.00 31.40 O +ATOM 4898 CB ILE B 327 -5.753 -25.183 -32.483 1.00 12.03 C +ATOM 4899 CG1 ILE B 327 -5.525 -24.331 -31.247 1.00 21.15 C +ATOM 4900 CG2 ILE B 327 -5.885 -24.276 -33.677 1.00 31.23 C +ATOM 4901 CD1 ILE B 327 -6.652 -23.372 -30.983 1.00 23.91 C +ATOM 4902 H ILE B 327 -6.293 -27.538 -31.043 1.00 15.00 H +ATOM 4903 N GLN B 328 -7.441 -26.423 -34.640 1.00 18.66 N +ATOM 4904 CA GLN B 328 -7.489 -27.220 -35.838 1.00 22.15 C +ATOM 4905 C GLN B 328 -6.172 -26.880 -36.526 1.00 13.65 C +ATOM 4906 O GLN B 328 -5.854 -25.711 -36.701 1.00 9.42 O +ATOM 4907 CB GLN B 328 -8.695 -26.806 -36.682 1.00 35.48 C +ATOM 4908 CG GLN B 328 -9.360 -27.951 -37.405 1.00 49.76 C +ATOM 4909 CD GLN B 328 -8.377 -28.725 -38.253 1.00 63.26 C +ATOM 4910 OE1 GLN B 328 -7.793 -29.709 -37.795 1.00 68.29 O +ATOM 4911 NE2 GLN B 328 -8.138 -28.251 -39.476 1.00 61.94 N +ATOM 4912 H GLN B 328 -7.694 -25.485 -34.687 1.00 15.00 H +ATOM 4913 HE21 GLN B 328 -7.544 -28.748 -40.070 1.00 15.00 H +ATOM 4914 HE22 GLN B 328 -8.603 -27.427 -39.735 1.00 15.00 H +ATOM 4915 N HIS B 329 -5.396 -27.898 -36.873 1.00 7.10 N +ATOM 4916 CA HIS B 329 -4.098 -27.704 -37.525 1.00 7.86 C +ATOM 4917 C HIS B 329 -4.048 -26.472 -38.404 1.00 15.18 C +ATOM 4918 O HIS B 329 -3.339 -25.509 -38.107 1.00 14.15 O +ATOM 4919 CB HIS B 329 -3.733 -28.905 -38.397 1.00 6.36 C +ATOM 4920 CG HIS B 329 -3.739 -30.212 -37.672 1.00 9.11 C +ATOM 4921 ND1 HIS B 329 -4.889 -30.782 -37.169 1.00 20.61 N +ATOM 4922 CD2 HIS B 329 -2.743 -31.090 -37.412 1.00 25.43 C +ATOM 4923 CE1 HIS B 329 -4.602 -31.955 -36.634 1.00 27.50 C +ATOM 4924 NE2 HIS B 329 -3.306 -32.166 -36.768 1.00 29.18 N +ATOM 4925 H HIS B 329 -5.735 -28.779 -36.631 1.00 15.00 H +ATOM 4926 HD1 HIS B 329 -5.821 -30.479 -37.229 1.00 15.00 H +ATOM 4927 HE2 HIS B 329 -2.822 -32.970 -36.452 1.00 15.00 H +ATOM 4928 N GLN B 330 -4.856 -26.491 -39.460 1.00 20.51 N +ATOM 4929 CA GLN B 330 -4.903 -25.390 -40.412 1.00 16.99 C +ATOM 4930 C GLN B 330 -5.153 -24.028 -39.784 1.00 9.59 C +ATOM 4931 O GLN B 330 -4.512 -23.056 -40.174 1.00 9.45 O +ATOM 4932 CB GLN B 330 -5.923 -25.662 -41.510 1.00 27.70 C +ATOM 4933 CG GLN B 330 -5.826 -24.695 -42.686 1.00 49.02 C +ATOM 4934 CD GLN B 330 -4.483 -24.756 -43.410 1.00 52.00 C +ATOM 4935 OE1 GLN B 330 -4.214 -25.697 -44.153 1.00 57.46 O +ATOM 4936 NE2 GLN B 330 -3.647 -23.743 -43.209 1.00 50.89 N +ATOM 4937 H GLN B 330 -5.434 -27.259 -39.614 1.00 15.00 H +ATOM 4938 HE21 GLN B 330 -2.787 -23.795 -43.667 1.00 15.00 H +ATOM 4939 HE22 GLN B 330 -3.928 -23.003 -42.624 1.00 15.00 H +ATOM 4940 N ASP B 331 -6.019 -23.961 -38.774 1.00 5.57 N +ATOM 4941 CA ASP B 331 -6.305 -22.684 -38.122 1.00 5.33 C +ATOM 4942 C ASP B 331 -5.027 -21.963 -37.761 1.00 6.50 C +ATOM 4943 O ASP B 331 -4.891 -20.790 -38.057 1.00 21.09 O +ATOM 4944 CB ASP B 331 -7.165 -22.868 -36.879 1.00 16.06 C +ATOM 4945 CG ASP B 331 -8.573 -23.305 -37.207 1.00 37.08 C +ATOM 4946 OD1 ASP B 331 -9.010 -23.118 -38.366 1.00 39.58 O +ATOM 4947 OD2 ASP B 331 -9.253 -23.830 -36.301 1.00 51.70 O +ATOM 4948 H ASP B 331 -6.429 -24.769 -38.413 1.00 15.00 H +ATOM 4949 N TRP B 332 -4.056 -22.689 -37.218 1.00 12.40 N +ATOM 4950 CA TRP B 332 -2.765 -22.104 -36.826 1.00 16.86 C +ATOM 4951 C TRP B 332 -1.969 -21.617 -38.042 1.00 16.86 C +ATOM 4952 O TRP B 332 -1.478 -20.477 -38.074 1.00 17.00 O +ATOM 4953 CB TRP B 332 -1.924 -23.134 -36.041 1.00 5.54 C +ATOM 4954 CG TRP B 332 -0.547 -22.665 -35.626 1.00 2.00 C +ATOM 4955 CD1 TRP B 332 0.643 -23.042 -36.174 1.00 5.82 C +ATOM 4956 CD2 TRP B 332 -0.222 -21.724 -34.590 1.00 2.00 C +ATOM 4957 NE1 TRP B 332 1.685 -22.387 -35.553 1.00 2.00 N +ATOM 4958 CE2 TRP B 332 1.174 -21.573 -34.580 1.00 2.00 C +ATOM 4959 CE3 TRP B 332 -0.980 -20.993 -33.678 1.00 2.00 C +ATOM 4960 CZ2 TRP B 332 1.821 -20.729 -33.703 1.00 2.00 C +ATOM 4961 CZ3 TRP B 332 -0.337 -20.153 -32.803 1.00 3.90 C +ATOM 4962 CH2 TRP B 332 1.051 -20.023 -32.822 1.00 7.40 C +ATOM 4963 H TRP B 332 -4.212 -23.654 -37.101 1.00 15.00 H +ATOM 4964 HE1 TRP B 332 2.631 -22.528 -35.774 1.00 15.00 H +ATOM 4965 N MET B 333 -1.840 -22.497 -39.028 1.00 10.99 N +ATOM 4966 CA MET B 333 -1.100 -22.211 -40.245 1.00 14.58 C +ATOM 4967 C MET B 333 -1.683 -21.048 -41.039 1.00 19.46 C +ATOM 4968 O MET B 333 -0.955 -20.276 -41.656 1.00 24.61 O +ATOM 4969 CB MET B 333 -1.075 -23.457 -41.109 1.00 10.81 C +ATOM 4970 CG MET B 333 -0.492 -24.633 -40.397 1.00 14.08 C +ATOM 4971 SD MET B 333 1.295 -24.539 -40.367 1.00 28.68 S +ATOM 4972 CE MET B 333 1.614 -25.549 -41.786 1.00 14.67 C +ATOM 4973 H MET B 333 -2.292 -23.356 -38.898 1.00 15.00 H +ATOM 4974 N SER B 334 -2.997 -20.915 -41.021 1.00 19.25 N +ATOM 4975 CA SER B 334 -3.637 -19.831 -41.742 1.00 21.98 C +ATOM 4976 C SER B 334 -3.513 -18.518 -40.987 1.00 21.13 C +ATOM 4977 O SER B 334 -4.408 -17.676 -41.049 1.00 30.65 O +ATOM 4978 CB SER B 334 -5.099 -20.166 -41.982 1.00 27.02 C +ATOM 4979 OG SER B 334 -5.192 -21.406 -42.662 1.00 47.17 O +ATOM 4980 H SER B 334 -3.550 -21.535 -40.514 1.00 15.00 H +ATOM 4981 HG SER B 334 -6.110 -21.536 -42.915 1.00 15.00 H +ATOM 4982 N GLY B 335 -2.410 -18.362 -40.261 1.00 5.27 N +ATOM 4983 CA GLY B 335 -2.162 -17.155 -39.498 1.00 3.45 C +ATOM 4984 C GLY B 335 -3.267 -16.614 -38.609 1.00 3.96 C +ATOM 4985 O GLY B 335 -3.359 -15.402 -38.437 1.00 12.57 O +ATOM 4986 H GLY B 335 -1.710 -19.033 -40.214 1.00 15.00 H +ATOM 4987 N LYS B 336 -4.128 -17.464 -38.063 1.00 2.00 N +ATOM 4988 CA LYS B 336 -5.179 -16.961 -37.174 1.00 6.91 C +ATOM 4989 C LYS B 336 -4.526 -16.435 -35.914 1.00 8.13 C +ATOM 4990 O LYS B 336 -3.362 -16.760 -35.638 1.00 22.04 O +ATOM 4991 CB LYS B 336 -6.170 -18.059 -36.802 1.00 17.65 C +ATOM 4992 CG LYS B 336 -7.195 -18.383 -37.876 1.00 37.13 C +ATOM 4993 CD LYS B 336 -8.219 -19.369 -37.358 1.00 45.86 C +ATOM 4994 CE LYS B 336 -9.214 -19.751 -38.430 1.00 53.67 C +ATOM 4995 NZ LYS B 336 -10.211 -20.712 -37.881 1.00 63.78 N +ATOM 4996 H LYS B 336 -4.054 -18.423 -38.254 1.00 15.00 H +ATOM 4997 HZ1 LYS B 336 -9.729 -21.549 -37.518 1.00 15.00 H +ATOM 4998 HZ2 LYS B 336 -10.721 -20.277 -37.085 1.00 15.00 H +ATOM 4999 HZ3 LYS B 336 -10.883 -20.984 -38.631 1.00 15.00 H +ATOM 5000 N GLU B 337 -5.271 -15.661 -35.129 1.00 2.00 N +ATOM 5001 CA GLU B 337 -4.718 -15.095 -33.900 1.00 2.22 C +ATOM 5002 C GLU B 337 -5.481 -15.504 -32.664 1.00 9.52 C +ATOM 5003 O GLU B 337 -6.595 -15.003 -32.411 1.00 14.55 O +ATOM 5004 CB GLU B 337 -4.696 -13.574 -33.955 1.00 5.29 C +ATOM 5005 CG GLU B 337 -3.856 -12.962 -32.857 1.00 11.56 C +ATOM 5006 CD GLU B 337 -4.360 -11.606 -32.412 1.00 15.47 C +ATOM 5007 OE1 GLU B 337 -5.596 -11.435 -32.291 1.00 22.18 O +ATOM 5008 OE2 GLU B 337 -3.510 -10.723 -32.151 1.00 8.28 O +ATOM 5009 H GLU B 337 -6.199 -15.481 -35.370 1.00 15.00 H +ATOM 5010 N PHE B 338 -4.861 -16.356 -31.859 1.00 6.02 N +ATOM 5011 CA PHE B 338 -5.494 -16.824 -30.640 1.00 11.21 C +ATOM 5012 C PHE B 338 -5.218 -15.867 -29.511 1.00 11.46 C +ATOM 5013 O PHE B 338 -4.079 -15.461 -29.298 1.00 20.49 O +ATOM 5014 CB PHE B 338 -5.019 -18.219 -30.317 1.00 2.45 C +ATOM 5015 CG PHE B 338 -5.071 -19.128 -31.495 1.00 4.82 C +ATOM 5016 CD1 PHE B 338 -3.997 -19.226 -32.353 1.00 2.00 C +ATOM 5017 CD2 PHE B 338 -6.215 -19.851 -31.773 1.00 9.03 C +ATOM 5018 CE1 PHE B 338 -4.070 -20.020 -33.454 1.00 2.00 C +ATOM 5019 CE2 PHE B 338 -6.287 -20.657 -32.888 1.00 2.00 C +ATOM 5020 CZ PHE B 338 -5.220 -20.740 -33.725 1.00 2.00 C +ATOM 5021 H PHE B 338 -3.946 -16.631 -32.072 1.00 15.00 H +ATOM 5022 N LYS B 339 -6.297 -15.437 -28.873 1.00 5.47 N +ATOM 5023 CA LYS B 339 -6.268 -14.502 -27.769 1.00 12.14 C +ATOM 5024 C LYS B 339 -6.731 -15.228 -26.511 1.00 18.23 C +ATOM 5025 O LYS B 339 -7.529 -16.169 -26.578 1.00 22.37 O +ATOM 5026 CB LYS B 339 -7.226 -13.360 -28.103 1.00 23.93 C +ATOM 5027 CG LYS B 339 -7.245 -12.176 -27.165 1.00 26.60 C +ATOM 5028 CD LYS B 339 -8.123 -11.097 -27.792 1.00 45.59 C +ATOM 5029 CE LYS B 339 -8.340 -9.898 -26.889 1.00 39.30 C +ATOM 5030 NZ LYS B 339 -9.219 -8.924 -27.583 1.00 44.60 N +ATOM 5031 H LYS B 339 -7.170 -15.764 -29.171 1.00 15.00 H +ATOM 5032 HZ1 LYS B 339 -10.120 -9.384 -27.826 1.00 15.00 H +ATOM 5033 HZ2 LYS B 339 -9.403 -8.115 -26.958 1.00 15.00 H +ATOM 5034 HZ3 LYS B 339 -8.751 -8.593 -28.452 1.00 15.00 H +ATOM 5035 N CYS B 340 -6.277 -14.742 -25.364 1.00 13.23 N +ATOM 5036 CA CYS B 340 -6.616 -15.322 -24.081 1.00 9.46 C +ATOM 5037 C CYS B 340 -6.843 -14.170 -23.132 1.00 13.64 C +ATOM 5038 O CYS B 340 -5.941 -13.379 -22.889 1.00 21.49 O +ATOM 5039 CB CYS B 340 -5.450 -16.153 -23.636 1.00 17.69 C +ATOM 5040 SG CYS B 340 -5.346 -16.552 -21.884 1.00 27.27 S +ATOM 5041 H CYS B 340 -5.699 -13.953 -25.371 1.00 15.00 H +ATOM 5042 N LYS B 341 -8.052 -14.072 -22.605 1.00 5.53 N +ATOM 5043 CA LYS B 341 -8.422 -12.977 -21.728 1.00 14.52 C +ATOM 5044 C LYS B 341 -8.783 -13.512 -20.353 1.00 17.66 C +ATOM 5045 O LYS B 341 -9.756 -14.251 -20.196 1.00 24.95 O +ATOM 5046 CB LYS B 341 -9.605 -12.254 -22.383 1.00 29.24 C +ATOM 5047 CG LYS B 341 -10.253 -11.099 -21.656 1.00 29.37 C +ATOM 5048 CD LYS B 341 -11.436 -10.606 -22.514 1.00 36.18 C +ATOM 5049 CE LYS B 341 -12.330 -9.581 -21.796 1.00 46.84 C +ATOM 5050 NZ LYS B 341 -11.717 -8.228 -21.557 1.00 44.25 N +ATOM 5051 H LYS B 341 -8.708 -14.764 -22.784 1.00 15.00 H +ATOM 5052 HZ1 LYS B 341 -11.427 -7.805 -22.464 1.00 15.00 H +ATOM 5053 HZ2 LYS B 341 -12.409 -7.611 -21.083 1.00 15.00 H +ATOM 5054 HZ3 LYS B 341 -10.882 -8.341 -20.944 1.00 15.00 H +ATOM 5055 N VAL B 342 -7.992 -13.140 -19.359 1.00 12.93 N +ATOM 5056 CA VAL B 342 -8.215 -13.598 -17.998 1.00 17.40 C +ATOM 5057 C VAL B 342 -8.705 -12.487 -17.089 1.00 25.05 C +ATOM 5058 O VAL B 342 -8.241 -11.349 -17.180 1.00 30.39 O +ATOM 5059 CB VAL B 342 -6.937 -14.188 -17.363 1.00 16.26 C +ATOM 5060 CG1 VAL B 342 -6.179 -15.071 -18.362 1.00 22.65 C +ATOM 5061 CG2 VAL B 342 -6.049 -13.083 -16.839 1.00 31.95 C +ATOM 5062 H VAL B 342 -7.250 -12.526 -19.521 1.00 15.00 H +ATOM 5063 N ASN B 343 -9.643 -12.814 -16.211 1.00 31.41 N +ATOM 5064 CA ASN B 343 -10.147 -11.833 -15.272 1.00 43.50 C +ATOM 5065 C ASN B 343 -10.521 -12.433 -13.927 1.00 53.58 C +ATOM 5066 O ASN B 343 -10.849 -13.623 -13.825 1.00 50.48 O +ATOM 5067 CB ASN B 343 -11.337 -11.060 -15.831 1.00 48.24 C +ATOM 5068 CG ASN B 343 -11.791 -9.953 -14.891 1.00 56.17 C +ATOM 5069 OD1 ASN B 343 -11.041 -9.010 -14.622 1.00 49.39 O +ATOM 5070 ND2 ASN B 343 -12.990 -10.097 -14.333 1.00 59.85 N +ATOM 5071 H ASN B 343 -10.026 -13.721 -16.197 1.00 15.00 H +ATOM 5072 HD21 ASN B 343 -13.279 -9.383 -13.731 1.00 15.00 H +ATOM 5073 HD22 ASN B 343 -13.520 -10.901 -14.550 1.00 15.00 H +ATOM 5074 N ASN B 344 -10.423 -11.600 -12.893 1.00 61.86 N +ATOM 5075 CA ASN B 344 -10.765 -11.970 -11.525 1.00 69.25 C +ATOM 5076 C ASN B 344 -10.955 -10.673 -10.742 1.00 74.22 C +ATOM 5077 O ASN B 344 -10.525 -9.614 -11.186 1.00 79.21 O +ATOM 5078 CB ASN B 344 -9.685 -12.855 -10.894 1.00 70.04 C +ATOM 5079 CG ASN B 344 -8.618 -12.060 -10.193 1.00 70.71 C +ATOM 5080 OD1 ASN B 344 -8.636 -11.925 -8.972 1.00 78.08 O +ATOM 5081 ND2 ASN B 344 -7.692 -11.511 -10.958 1.00 69.95 N +ATOM 5082 H ASN B 344 -10.145 -10.662 -13.043 1.00 15.00 H +ATOM 5083 HD21 ASN B 344 -6.988 -11.002 -10.507 1.00 15.00 H +ATOM 5084 HD22 ASN B 344 -7.739 -11.638 -11.928 1.00 15.00 H +ATOM 5085 N LYS B 345 -11.575 -10.765 -9.572 1.00 84.06 N +ATOM 5086 CA LYS B 345 -11.864 -9.597 -8.739 1.00 93.70 C +ATOM 5087 C LYS B 345 -10.701 -8.651 -8.409 1.00 94.56 C +ATOM 5088 O LYS B 345 -10.863 -7.430 -8.435 1.00 92.88 O +ATOM 5089 CB LYS B 345 -12.553 -10.045 -7.444 1.00102.31 C +ATOM 5090 CG LYS B 345 -13.080 -8.895 -6.598 1.00118.63 C +ATOM 5091 CD LYS B 345 -14.099 -8.055 -7.370 1.00127.88 C +ATOM 5092 CE LYS B 345 -14.414 -6.745 -6.653 1.00130.39 C +ATOM 5093 NZ LYS B 345 -13.214 -5.861 -6.530 1.00134.44 N +ATOM 5094 H LYS B 345 -11.834 -11.650 -9.246 1.00 15.00 H +ATOM 5095 HZ1 LYS B 345 -12.839 -5.648 -7.476 1.00 15.00 H +ATOM 5096 HZ2 LYS B 345 -13.487 -4.974 -6.061 1.00 15.00 H +ATOM 5097 HZ3 LYS B 345 -12.482 -6.339 -5.967 1.00 15.00 H +ATOM 5098 N ASP B 346 -9.540 -9.210 -8.091 1.00 98.47 N +ATOM 5099 CA ASP B 346 -8.371 -8.402 -7.739 1.00101.09 C +ATOM 5100 C ASP B 346 -7.705 -7.716 -8.936 1.00 97.08 C +ATOM 5101 O ASP B 346 -6.748 -6.955 -8.775 1.00 98.98 O +ATOM 5102 CB ASP B 346 -7.350 -9.259 -6.983 1.00109.88 C +ATOM 5103 CG ASP B 346 -7.943 -9.918 -5.746 1.00118.31 C +ATOM 5104 OD1 ASP B 346 -8.672 -9.233 -4.994 1.00121.56 O +ATOM 5105 OD2 ASP B 346 -7.687 -11.124 -5.532 1.00120.39 O +ATOM 5106 H ASP B 346 -9.450 -10.186 -8.108 1.00 15.00 H +ATOM 5107 N LEU B 347 -8.212 -7.985 -10.133 1.00 89.70 N +ATOM 5108 CA LEU B 347 -7.665 -7.399 -11.344 1.00 78.07 C +ATOM 5109 C LEU B 347 -8.304 -6.060 -11.632 1.00 80.36 C +ATOM 5110 O LEU B 347 -9.517 -5.974 -11.820 1.00 81.70 O +ATOM 5111 CB LEU B 347 -7.901 -8.331 -12.523 1.00 69.66 C +ATOM 5112 CG LEU B 347 -6.634 -8.846 -13.192 1.00 68.82 C +ATOM 5113 CD1 LEU B 347 -5.619 -9.288 -12.153 1.00 67.24 C +ATOM 5114 CD2 LEU B 347 -6.999 -9.989 -14.113 1.00 73.72 C +ATOM 5115 H LEU B 347 -9.011 -8.542 -10.227 1.00 15.00 H +ATOM 5116 N PRO B 348 -7.492 -4.991 -11.676 1.00 81.34 N +ATOM 5117 CA PRO B 348 -8.005 -3.645 -11.950 1.00 81.89 C +ATOM 5118 C PRO B 348 -8.628 -3.613 -13.345 1.00 79.61 C +ATOM 5119 O PRO B 348 -9.649 -2.963 -13.578 1.00 81.73 O +ATOM 5120 CB PRO B 348 -6.741 -2.782 -11.872 1.00 80.99 C +ATOM 5121 CG PRO B 348 -5.646 -3.726 -12.300 1.00 76.49 C +ATOM 5122 CD PRO B 348 -6.022 -4.984 -11.561 1.00 81.48 C +ATOM 5123 N ALA B 349 -8.005 -4.351 -14.257 1.00 75.36 N +ATOM 5124 CA ALA B 349 -8.453 -4.449 -15.636 1.00 65.14 C +ATOM 5125 C ALA B 349 -7.998 -5.809 -16.133 1.00 57.35 C +ATOM 5126 O ALA B 349 -6.924 -6.292 -15.747 1.00 53.06 O +ATOM 5127 CB ALA B 349 -7.831 -3.344 -16.479 1.00 67.52 C +ATOM 5128 H ALA B 349 -7.223 -4.894 -14.030 1.00 15.00 H +ATOM 5129 N PRO B 350 -8.822 -6.456 -16.971 1.00 48.43 N +ATOM 5130 CA PRO B 350 -8.532 -7.776 -17.539 1.00 40.19 C +ATOM 5131 C PRO B 350 -7.205 -7.829 -18.280 1.00 38.02 C +ATOM 5132 O PRO B 350 -6.834 -6.887 -18.987 1.00 49.26 O +ATOM 5133 CB PRO B 350 -9.726 -8.023 -18.467 1.00 34.60 C +ATOM 5134 CG PRO B 350 -10.199 -6.635 -18.803 1.00 47.81 C +ATOM 5135 CD PRO B 350 -10.102 -5.938 -17.480 1.00 41.41 C +ATOM 5136 N ILE B 351 -6.483 -8.926 -18.079 1.00 31.34 N +ATOM 5137 CA ILE B 351 -5.188 -9.133 -18.704 1.00 27.82 C +ATOM 5138 C ILE B 351 -5.432 -10.051 -19.884 1.00 29.98 C +ATOM 5139 O ILE B 351 -6.074 -11.083 -19.726 1.00 34.00 O +ATOM 5140 CB ILE B 351 -4.211 -9.828 -17.730 1.00 30.20 C +ATOM 5141 CG1 ILE B 351 -4.107 -9.033 -16.430 1.00 28.05 C +ATOM 5142 CG2 ILE B 351 -2.829 -9.965 -18.353 1.00 35.53 C +ATOM 5143 CD1 ILE B 351 -3.286 -9.729 -15.361 1.00 26.71 C +ATOM 5144 H ILE B 351 -6.854 -9.644 -17.521 1.00 15.00 H +ATOM 5145 N GLU B 352 -4.968 -9.657 -21.069 1.00 31.85 N +ATOM 5146 CA GLU B 352 -5.136 -10.470 -22.276 1.00 24.65 C +ATOM 5147 C GLU B 352 -3.796 -10.738 -22.932 1.00 17.94 C +ATOM 5148 O GLU B 352 -2.855 -9.975 -22.741 1.00 24.40 O +ATOM 5149 CB GLU B 352 -6.113 -9.812 -23.261 1.00 39.24 C +ATOM 5150 CG GLU B 352 -6.059 -8.282 -23.319 1.00 58.11 C +ATOM 5151 CD GLU B 352 -7.035 -7.677 -24.337 1.00 62.52 C +ATOM 5152 OE1 GLU B 352 -8.202 -7.416 -23.968 1.00 63.00 O +ATOM 5153 OE2 GLU B 352 -6.628 -7.448 -25.502 1.00 67.94 O +ATOM 5154 H GLU B 352 -4.466 -8.822 -21.144 1.00 15.00 H +ATOM 5155 N ARG B 353 -3.686 -11.870 -23.621 1.00 16.15 N +ATOM 5156 CA ARG B 353 -2.449 -12.263 -24.309 1.00 15.74 C +ATOM 5157 C ARG B 353 -2.848 -12.907 -25.641 1.00 11.46 C +ATOM 5158 O ARG B 353 -3.850 -13.637 -25.701 1.00 4.26 O +ATOM 5159 CB ARG B 353 -1.657 -13.279 -23.473 1.00 23.55 C +ATOM 5160 CG ARG B 353 -1.258 -12.813 -22.080 1.00 25.44 C +ATOM 5161 CD ARG B 353 0.035 -12.044 -22.106 1.00 40.01 C +ATOM 5162 NE ARG B 353 0.562 -11.778 -20.770 1.00 41.25 N +ATOM 5163 CZ ARG B 353 0.236 -10.723 -20.028 1.00 51.82 C +ATOM 5164 NH1 ARG B 353 -0.630 -9.825 -20.481 1.00 50.90 N +ATOM 5165 NH2 ARG B 353 0.811 -10.544 -18.845 1.00 62.51 N +ATOM 5166 H ARG B 353 -4.451 -12.479 -23.675 1.00 15.00 H +ATOM 5167 HE ARG B 353 1.202 -12.412 -20.390 1.00 15.00 H +ATOM 5168 HH11 ARG B 353 -1.053 -9.931 -21.380 1.00 15.00 H +ATOM 5169 HH12 ARG B 353 -0.866 -9.039 -19.910 1.00 15.00 H +ATOM 5170 HH21 ARG B 353 1.495 -11.195 -18.516 1.00 15.00 H +ATOM 5171 HH22 ARG B 353 0.570 -9.747 -18.292 1.00 15.00 H +ATOM 5172 N THR B 354 -2.072 -12.642 -26.692 1.00 2.00 N +ATOM 5173 CA THR B 354 -2.347 -13.171 -28.036 1.00 9.37 C +ATOM 5174 C THR B 354 -1.158 -13.881 -28.682 1.00 5.85 C +ATOM 5175 O THR B 354 -0.007 -13.460 -28.525 1.00 6.32 O +ATOM 5176 CB THR B 354 -2.751 -12.049 -28.992 1.00 14.72 C +ATOM 5177 OG1 THR B 354 -1.882 -10.919 -28.795 1.00 27.97 O +ATOM 5178 CG2 THR B 354 -4.179 -11.648 -28.762 1.00 18.12 C +ATOM 5179 H THR B 354 -1.276 -12.078 -26.619 1.00 15.00 H +ATOM 5180 HG1 THR B 354 -2.010 -10.281 -29.504 1.00 15.00 H +ATOM 5181 N ILE B 355 -1.454 -14.863 -29.520 1.00 2.00 N +ATOM 5182 CA ILE B 355 -0.411 -15.626 -30.179 1.00 7.31 C +ATOM 5183 C ILE B 355 -0.883 -15.887 -31.603 1.00 6.20 C +ATOM 5184 O ILE B 355 -2.094 -15.892 -31.853 1.00 14.49 O +ATOM 5185 CB ILE B 355 -0.142 -16.953 -29.387 1.00 8.18 C +ATOM 5186 CG1 ILE B 355 1.327 -17.043 -28.963 1.00 5.79 C +ATOM 5187 CG2 ILE B 355 -0.569 -18.180 -30.197 1.00 20.58 C +ATOM 5188 CD1 ILE B 355 2.197 -17.962 -29.853 1.00 8.06 C +ATOM 5189 H ILE B 355 -2.376 -15.086 -29.743 1.00 15.00 H +ATOM 5190 N SER B 357 0.057 -16.040 -32.533 1.00 2.00 N +ATOM 5191 CA SER B 357 -0.260 -16.286 -33.940 1.00 4.45 C +ATOM 5192 C SER B 357 1.023 -16.723 -34.593 1.00 3.20 C +ATOM 5193 O SER B 357 2.089 -16.306 -34.165 1.00 15.48 O +ATOM 5194 CB SER B 357 -0.766 -15.003 -34.630 1.00 7.61 C +ATOM 5195 OG SER B 357 -0.357 -13.807 -33.967 1.00 2.00 O +ATOM 5196 H SER B 357 1.010 -15.969 -32.308 1.00 15.00 H +ATOM 5197 HG SER B 357 -0.887 -13.714 -33.173 1.00 15.00 H +ATOM 5198 N LYS B 358 0.940 -17.574 -35.603 1.00 2.00 N +ATOM 5199 CA LYS B 358 2.148 -18.037 -36.291 1.00 7.31 C +ATOM 5200 C LYS B 358 2.874 -16.902 -36.998 1.00 18.58 C +ATOM 5201 O LYS B 358 2.336 -16.295 -37.936 1.00 26.22 O +ATOM 5202 CB LYS B 358 1.800 -19.117 -37.312 1.00 11.88 C +ATOM 5203 CG LYS B 358 2.976 -19.698 -38.056 1.00 2.00 C +ATOM 5204 CD LYS B 358 2.522 -20.912 -38.835 1.00 2.00 C +ATOM 5205 CE LYS B 358 3.693 -21.709 -39.406 1.00 5.38 C +ATOM 5206 NZ LYS B 358 4.600 -20.885 -40.265 1.00 10.29 N +ATOM 5207 H LYS B 358 0.058 -17.872 -35.904 1.00 15.00 H +ATOM 5208 HZ1 LYS B 358 4.062 -20.493 -41.064 1.00 15.00 H +ATOM 5209 HZ2 LYS B 358 4.987 -20.107 -39.692 1.00 15.00 H +ATOM 5210 HZ3 LYS B 358 5.385 -21.466 -40.618 1.00 15.00 H +ATOM 5211 N PRO B 359 4.118 -16.617 -36.579 1.00 26.25 N +ATOM 5212 CA PRO B 359 4.939 -15.553 -37.165 1.00 27.37 C +ATOM 5213 C PRO B 359 5.073 -15.727 -38.674 1.00 21.00 C +ATOM 5214 O PRO B 359 5.528 -16.761 -39.160 1.00 19.63 O +ATOM 5215 CB PRO B 359 6.280 -15.730 -36.444 1.00 35.04 C +ATOM 5216 CG PRO B 359 6.325 -17.206 -36.146 1.00 34.13 C +ATOM 5217 CD PRO B 359 4.914 -17.410 -35.627 1.00 34.72 C +ATOM 5218 N LYS B 360 4.641 -14.711 -39.406 1.00 25.02 N +ATOM 5219 CA LYS B 360 4.675 -14.722 -40.868 1.00 30.99 C +ATOM 5220 C LYS B 360 6.091 -14.419 -41.372 1.00 22.87 C +ATOM 5221 O LYS B 360 6.679 -13.403 -40.993 1.00 18.07 O +ATOM 5222 CB LYS B 360 3.696 -13.667 -41.408 1.00 44.34 C +ATOM 5223 CG LYS B 360 2.316 -13.633 -40.711 1.00 57.24 C +ATOM 5224 CD LYS B 360 1.837 -12.195 -40.442 1.00 52.10 C +ATOM 5225 CE LYS B 360 2.790 -11.449 -39.500 1.00 51.87 C +ATOM 5226 NZ LYS B 360 2.441 -10.014 -39.354 1.00 40.65 N +ATOM 5227 H LYS B 360 4.295 -13.921 -38.951 1.00 15.00 H +ATOM 5228 HZ1 LYS B 360 2.475 -9.534 -40.275 1.00 15.00 H +ATOM 5229 HZ2 LYS B 360 1.485 -9.939 -38.950 1.00 15.00 H +ATOM 5230 HZ3 LYS B 360 3.121 -9.570 -38.707 1.00 15.00 H +ATOM 5231 N GLY B 361 6.619 -15.278 -42.241 1.00 7.53 N +ATOM 5232 CA GLY B 361 7.955 -15.072 -42.760 1.00 2.00 C +ATOM 5233 C GLY B 361 8.324 -16.086 -43.821 1.00 9.98 C +ATOM 5234 O GLY B 361 7.509 -16.932 -44.212 1.00 13.63 O +ATOM 5235 H GLY B 361 6.137 -16.079 -42.531 1.00 15.00 H +ATOM 5236 N SER B 363 9.568 -16.021 -44.273 1.00 8.38 N +ATOM 5237 CA SER B 363 10.049 -16.915 -45.312 1.00 15.14 C +ATOM 5238 C SER B 363 9.986 -18.365 -44.870 1.00 12.04 C +ATOM 5239 O SER B 363 9.514 -18.652 -43.774 1.00 26.16 O +ATOM 5240 CB SER B 363 11.474 -16.527 -45.671 1.00 32.88 C +ATOM 5241 OG SER B 363 11.593 -15.109 -45.725 1.00 54.49 O +ATOM 5242 H SER B 363 10.196 -15.364 -43.916 1.00 15.00 H +ATOM 5243 HG SER B 363 12.526 -14.927 -45.917 1.00 15.00 H +ATOM 5244 N VAL B 364 10.458 -19.276 -45.713 1.00 2.00 N +ATOM 5245 CA VAL B 364 10.447 -20.698 -45.396 1.00 2.00 C +ATOM 5246 C VAL B 364 11.505 -21.410 -46.208 1.00 16.67 C +ATOM 5247 O VAL B 364 11.504 -21.321 -47.437 1.00 22.52 O +ATOM 5248 CB VAL B 364 9.078 -21.342 -45.717 1.00 2.00 C +ATOM 5249 CG1 VAL B 364 9.198 -22.858 -45.820 1.00 2.00 C +ATOM 5250 CG2 VAL B 364 8.035 -20.956 -44.650 1.00 2.00 C +ATOM 5251 H VAL B 364 10.803 -19.023 -46.592 1.00 15.00 H +ATOM 5252 N ARG B 365 12.398 -22.126 -45.524 1.00 24.05 N +ATOM 5253 CA ARG B 365 13.468 -22.867 -46.190 1.00 18.25 C +ATOM 5254 C ARG B 365 13.529 -24.279 -45.640 1.00 16.64 C +ATOM 5255 O ARG B 365 13.438 -24.492 -44.423 1.00 11.46 O +ATOM 5256 CB ARG B 365 14.828 -22.192 -45.971 1.00 23.00 C +ATOM 5257 CG ARG B 365 14.792 -20.660 -45.948 1.00 41.29 C +ATOM 5258 CD ARG B 365 15.740 -20.014 -46.970 1.00 51.03 C +ATOM 5259 NE ARG B 365 17.154 -20.193 -46.658 1.00 50.77 N +ATOM 5260 CZ ARG B 365 18.070 -20.572 -47.544 1.00 63.31 C +ATOM 5261 NH1 ARG B 365 17.723 -20.814 -48.803 1.00 63.88 N +ATOM 5262 NH2 ARG B 365 19.337 -20.720 -47.168 1.00 68.25 N +ATOM 5263 H ARG B 365 12.315 -22.190 -44.555 1.00 15.00 H +ATOM 5264 HE ARG B 365 17.445 -20.026 -45.737 1.00 15.00 H +ATOM 5265 HH11 ARG B 365 16.771 -20.713 -49.093 1.00 15.00 H +ATOM 5266 HH12 ARG B 365 18.413 -21.099 -49.468 1.00 15.00 H +ATOM 5267 HH21 ARG B 365 19.595 -20.543 -46.221 1.00 15.00 H +ATOM 5268 HH22 ARG B 365 20.026 -21.003 -47.833 1.00 15.00 H +ATOM 5269 N ALA B 366 13.631 -25.251 -46.540 1.00 13.16 N +ATOM 5270 CA ALA B 366 13.734 -26.641 -46.119 1.00 11.65 C +ATOM 5271 C ALA B 366 15.149 -26.756 -45.594 1.00 16.28 C +ATOM 5272 O ALA B 366 16.052 -26.123 -46.122 1.00 20.07 O +ATOM 5273 CB ALA B 366 13.540 -27.574 -47.289 1.00 10.45 C +ATOM 5274 H ALA B 366 13.643 -25.030 -47.493 1.00 15.00 H +ATOM 5275 N PRO B 367 15.359 -27.570 -44.553 1.00 20.41 N +ATOM 5276 CA PRO B 367 16.668 -27.773 -43.941 1.00 16.25 C +ATOM 5277 C PRO B 367 17.453 -28.830 -44.673 1.00 17.71 C +ATOM 5278 O PRO B 367 16.886 -29.810 -45.148 1.00 24.98 O +ATOM 5279 CB PRO B 367 16.293 -28.265 -42.561 1.00 14.03 C +ATOM 5280 CG PRO B 367 15.163 -29.191 -42.886 1.00 15.21 C +ATOM 5281 CD PRO B 367 14.342 -28.391 -43.873 1.00 21.95 C +ATOM 5282 N GLN B 368 18.760 -28.626 -44.761 1.00 26.51 N +ATOM 5283 CA GLN B 368 19.658 -29.574 -45.407 1.00 35.25 C +ATOM 5284 C GLN B 368 20.020 -30.485 -44.246 1.00 32.58 C +ATOM 5285 O GLN B 368 20.612 -30.021 -43.268 1.00 41.74 O +ATOM 5286 CB GLN B 368 20.931 -28.863 -45.885 1.00 56.92 C +ATOM 5287 CG GLN B 368 20.742 -27.431 -46.406 1.00 79.34 C +ATOM 5288 CD GLN B 368 20.583 -27.341 -47.920 1.00 91.48 C +ATOM 5289 OE1 GLN B 368 20.847 -28.299 -48.654 1.00 99.26 O +ATOM 5290 NE2 GLN B 368 20.162 -26.174 -48.394 1.00 95.74 N +ATOM 5291 H GLN B 368 19.114 -27.805 -44.358 1.00 15.00 H +ATOM 5292 HE21 GLN B 368 20.063 -26.096 -49.360 1.00 15.00 H +ATOM 5293 HE22 GLN B 368 19.971 -25.461 -47.752 1.00 15.00 H +ATOM 5294 N VAL B 369 19.653 -31.756 -44.316 1.00 16.82 N +ATOM 5295 CA VAL B 369 19.953 -32.651 -43.213 1.00 9.87 C +ATOM 5296 C VAL B 369 20.946 -33.770 -43.498 1.00 14.38 C +ATOM 5297 O VAL B 369 20.658 -34.696 -44.251 1.00 12.68 O +ATOM 5298 CB VAL B 369 18.654 -33.216 -42.569 1.00 6.47 C +ATOM 5299 CG1 VAL B 369 17.548 -33.313 -43.586 1.00 11.54 C +ATOM 5300 CG2 VAL B 369 18.903 -34.587 -41.945 1.00 12.86 C +ATOM 5301 H VAL B 369 19.187 -32.097 -45.105 1.00 15.00 H +ATOM 5302 N TYR B 370 22.104 -33.700 -42.851 1.00 20.44 N +ATOM 5303 CA TYR B 370 23.124 -34.727 -43.028 1.00 22.33 C +ATOM 5304 C TYR B 370 23.449 -35.403 -41.708 1.00 24.32 C +ATOM 5305 O TYR B 370 23.206 -34.847 -40.630 1.00 18.81 O +ATOM 5306 CB TYR B 370 24.420 -34.168 -43.595 1.00 12.85 C +ATOM 5307 CG TYR B 370 24.269 -32.945 -44.433 1.00 13.81 C +ATOM 5308 CD1 TYR B 370 24.145 -31.704 -43.836 1.00 14.32 C +ATOM 5309 CD2 TYR B 370 24.317 -33.014 -45.825 1.00 16.63 C +ATOM 5310 CE1 TYR B 370 24.080 -30.555 -44.590 1.00 29.22 C +ATOM 5311 CE2 TYR B 370 24.257 -31.864 -46.597 1.00 22.36 C +ATOM 5312 CZ TYR B 370 24.142 -30.636 -45.965 1.00 27.55 C +ATOM 5313 OH TYR B 370 24.114 -29.466 -46.685 1.00 45.99 O +ATOM 5314 H TYR B 370 22.252 -32.971 -42.211 1.00 15.00 H +ATOM 5315 HH TYR B 370 24.109 -29.670 -47.624 1.00 15.00 H +ATOM 5316 N VAL B 371 24.007 -36.605 -41.806 1.00 19.94 N +ATOM 5317 CA VAL B 371 24.402 -37.368 -40.634 1.00 25.27 C +ATOM 5318 C VAL B 371 25.897 -37.642 -40.689 1.00 31.53 C +ATOM 5319 O VAL B 371 26.407 -38.162 -41.683 1.00 39.16 O +ATOM 5320 CB VAL B 371 23.649 -38.697 -40.514 1.00 25.89 C +ATOM 5321 CG1 VAL B 371 22.214 -38.445 -40.117 1.00 30.73 C +ATOM 5322 CG2 VAL B 371 23.728 -39.467 -41.800 1.00 24.85 C +ATOM 5323 H VAL B 371 24.198 -36.988 -42.686 1.00 15.00 H +ATOM 5324 N LEU B 372 26.601 -37.237 -39.638 1.00 30.08 N +ATOM 5325 CA LEU B 372 28.038 -37.414 -39.552 1.00 20.65 C +ATOM 5326 C LEU B 372 28.364 -38.605 -38.659 1.00 23.80 C +ATOM 5327 O LEU B 372 27.735 -38.815 -37.617 1.00 15.43 O +ATOM 5328 CB LEU B 372 28.685 -36.147 -39.009 1.00 10.54 C +ATOM 5329 CG LEU B 372 28.102 -34.846 -39.554 1.00 8.11 C +ATOM 5330 CD1 LEU B 372 28.959 -33.647 -39.176 1.00 10.57 C +ATOM 5331 CD2 LEU B 372 28.006 -34.950 -41.048 1.00 19.38 C +ATOM 5332 H LEU B 372 26.135 -36.812 -38.911 1.00 15.00 H +ATOM 5333 N PRO B 373 29.364 -39.400 -39.057 1.00 25.12 N +ATOM 5334 CA PRO B 373 29.775 -40.576 -38.302 1.00 17.64 C +ATOM 5335 C PRO B 373 30.753 -40.151 -37.256 1.00 27.21 C +ATOM 5336 O PRO B 373 31.416 -39.113 -37.390 1.00 29.67 O +ATOM 5337 CB PRO B 373 30.501 -41.381 -39.345 1.00 22.65 C +ATOM 5338 CG PRO B 373 31.306 -40.282 -40.036 1.00 30.68 C +ATOM 5339 CD PRO B 373 30.314 -39.135 -40.157 1.00 29.48 C +ATOM 5340 N PRO B 374 30.876 -40.953 -36.200 1.00 29.61 N +ATOM 5341 CA PRO B 374 31.806 -40.656 -35.113 1.00 31.06 C +ATOM 5342 C PRO B 374 33.207 -40.521 -35.710 1.00 34.24 C +ATOM 5343 O PRO B 374 33.580 -41.268 -36.625 1.00 36.75 O +ATOM 5344 CB PRO B 374 31.690 -41.897 -34.229 1.00 28.09 C +ATOM 5345 CG PRO B 374 31.228 -42.971 -35.190 1.00 17.18 C +ATOM 5346 CD PRO B 374 30.204 -42.238 -35.980 1.00 23.05 C +ATOM 5347 N PRO B 375 33.979 -39.533 -35.237 1.00 34.60 N +ATOM 5348 CA PRO B 375 35.338 -39.303 -35.733 1.00 39.18 C +ATOM 5349 C PRO B 375 36.239 -40.511 -35.482 1.00 48.58 C +ATOM 5350 O PRO B 375 36.197 -41.122 -34.412 1.00 48.41 O +ATOM 5351 CB PRO B 375 35.778 -38.057 -34.964 1.00 29.05 C +ATOM 5352 CG PRO B 375 34.990 -38.139 -33.691 1.00 31.26 C +ATOM 5353 CD PRO B 375 33.640 -38.597 -34.153 1.00 32.98 C +ATOM 5354 N GLU B 377 37.039 -40.859 -36.487 1.00 62.12 N +ATOM 5355 CA GLU B 377 37.938 -42.013 -36.406 1.00 65.16 C +ATOM 5356 C GLU B 377 38.750 -42.113 -35.117 1.00 61.57 C +ATOM 5357 O GLU B 377 38.920 -43.201 -34.556 1.00 53.60 O +ATOM 5358 CB GLU B 377 38.842 -42.091 -37.645 1.00 72.75 C +ATOM 5359 CG GLU B 377 39.258 -40.750 -38.256 1.00 81.98 C +ATOM 5360 CD GLU B 377 39.778 -40.905 -39.685 1.00 87.83 C +ATOM 5361 OE1 GLU B 377 38.964 -41.205 -40.587 1.00 88.05 O +ATOM 5362 OE2 GLU B 377 40.999 -40.736 -39.907 1.00 88.56 O +ATOM 5363 H GLU B 377 36.969 -40.340 -37.312 1.00 15.00 H +ATOM 5364 N GLU B 378 39.176 -40.967 -34.602 1.00 60.18 N +ATOM 5365 CA GLU B 378 39.953 -40.939 -33.374 1.00 59.57 C +ATOM 5366 C GLU B 378 39.072 -41.088 -32.135 1.00 53.84 C +ATOM 5367 O GLU B 378 39.306 -40.457 -31.102 1.00 43.70 O +ATOM 5368 CB GLU B 378 40.785 -39.659 -33.291 1.00 68.64 C +ATOM 5369 CG GLU B 378 39.982 -38.379 -33.242 1.00 77.85 C +ATOM 5370 CD GLU B 378 40.811 -37.214 -32.755 1.00 85.60 C +ATOM 5371 OE1 GLU B 378 41.085 -37.153 -31.535 1.00 94.67 O +ATOM 5372 OE2 GLU B 378 41.197 -36.367 -33.589 1.00 90.01 O +ATOM 5373 H GLU B 378 38.957 -40.129 -35.049 1.00 15.00 H +ATOM 5374 N GLU B 379 38.056 -41.930 -32.245 1.00 51.93 N +ATOM 5375 CA GLU B 379 37.153 -42.171 -31.138 1.00 52.59 C +ATOM 5376 C GLU B 379 36.679 -43.609 -31.218 1.00 56.27 C +ATOM 5377 O GLU B 379 35.898 -44.057 -30.389 1.00 54.35 O +ATOM 5378 CB GLU B 379 35.962 -41.220 -31.206 1.00 48.47 C +ATOM 5379 CG GLU B 379 35.066 -41.264 -29.987 1.00 59.95 C +ATOM 5380 CD GLU B 379 33.730 -40.571 -30.205 1.00 66.15 C +ATOM 5381 OE1 GLU B 379 33.078 -40.825 -31.243 1.00 64.22 O +ATOM 5382 OE2 GLU B 379 33.321 -39.783 -29.323 1.00 67.63 O +ATOM 5383 H GLU B 379 37.854 -42.386 -33.079 1.00 15.00 H +ATOM 5384 N MET B 381 37.180 -44.343 -32.204 1.00 66.84 N +ATOM 5385 CA MET B 381 36.803 -45.739 -32.371 1.00 83.36 C +ATOM 5386 C MET B 381 37.593 -46.636 -31.420 1.00 86.69 C +ATOM 5387 O MET B 381 38.145 -47.663 -31.821 1.00 94.67 O +ATOM 5388 CB MET B 381 37.006 -46.176 -33.825 1.00 94.97 C +ATOM 5389 CG MET B 381 35.725 -46.192 -34.645 1.00107.23 C +ATOM 5390 SD MET B 381 34.918 -44.585 -34.726 1.00118.75 S +ATOM 5391 CE MET B 381 35.001 -44.238 -36.498 1.00121.54 C +ATOM 5392 H MET B 381 37.827 -43.971 -32.838 1.00 15.00 H +ATOM 5393 N THR B 382 37.639 -46.240 -30.154 1.00 85.58 N +ATOM 5394 CA THR B 382 38.360 -46.992 -29.142 1.00 82.63 C +ATOM 5395 C THR B 382 37.472 -47.158 -27.919 1.00 83.97 C +ATOM 5396 O THR B 382 37.320 -48.265 -27.399 1.00 90.79 O +ATOM 5397 CB THR B 382 39.665 -46.273 -28.746 1.00 81.16 C +ATOM 5398 OG1 THR B 382 39.367 -44.941 -28.302 1.00 80.65 O +ATOM 5399 CG2 THR B 382 40.621 -46.209 -29.934 1.00 76.35 C +ATOM 5400 H THR B 382 37.140 -45.455 -29.862 1.00 15.00 H +ATOM 5401 HG1 THR B 382 40.188 -44.499 -28.055 1.00 15.00 H +ATOM 5402 N LYS B 383 36.876 -46.052 -27.481 1.00 79.72 N +ATOM 5403 CA LYS B 383 35.991 -46.037 -26.318 1.00 78.54 C +ATOM 5404 C LYS B 383 34.797 -46.969 -26.571 1.00 78.79 C +ATOM 5405 O LYS B 383 34.566 -47.385 -27.705 1.00 79.67 O +ATOM 5406 CB LYS B 383 35.519 -44.602 -26.061 1.00 77.22 C +ATOM 5407 CG LYS B 383 36.618 -43.551 -26.222 1.00 76.26 C +ATOM 5408 CD LYS B 383 36.103 -42.153 -25.936 1.00 84.33 C +ATOM 5409 CE LYS B 383 37.176 -41.102 -26.178 1.00 87.49 C +ATOM 5410 NZ LYS B 383 36.724 -39.740 -25.771 1.00 89.61 N +ATOM 5411 H LYS B 383 37.036 -45.230 -27.985 1.00 15.00 H +ATOM 5412 HZ1 LYS B 383 35.869 -39.485 -26.303 1.00 15.00 H +ATOM 5413 HZ2 LYS B 383 36.511 -39.744 -24.754 1.00 15.00 H +ATOM 5414 HZ3 LYS B 383 37.479 -39.051 -25.965 1.00 15.00 H +ATOM 5415 N LYS B 384 34.055 -47.326 -25.527 1.00 80.09 N +ATOM 5416 CA LYS B 384 32.912 -48.218 -25.725 1.00 85.31 C +ATOM 5417 C LYS B 384 31.707 -47.519 -26.341 1.00 78.06 C +ATOM 5418 O LYS B 384 30.899 -48.151 -27.016 1.00 76.20 O +ATOM 5419 CB LYS B 384 32.527 -48.950 -24.435 1.00 98.94 C +ATOM 5420 CG LYS B 384 32.205 -48.059 -23.247 1.00119.87 C +ATOM 5421 CD LYS B 384 31.872 -48.898 -22.013 1.00133.38 C +ATOM 5422 CE LYS B 384 33.032 -49.812 -21.600 1.00141.10 C +ATOM 5423 NZ LYS B 384 34.253 -49.057 -21.178 1.00146.39 N +ATOM 5424 H LYS B 384 34.290 -47.010 -24.635 1.00 15.00 H +ATOM 5425 HZ1 LYS B 384 34.566 -48.447 -21.961 1.00 15.00 H +ATOM 5426 HZ2 LYS B 384 34.023 -48.470 -20.352 1.00 15.00 H +ATOM 5427 HZ3 LYS B 384 35.010 -49.727 -20.934 1.00 15.00 H +ATOM 5428 N GLN B 385 31.613 -46.212 -26.120 1.00 71.69 N +ATOM 5429 CA GLN B 385 30.527 -45.387 -26.641 1.00 66.43 C +ATOM 5430 C GLN B 385 31.053 -44.576 -27.832 1.00 65.84 C +ATOM 5431 O GLN B 385 32.234 -44.238 -27.867 1.00 71.12 O +ATOM 5432 CB GLN B 385 30.075 -44.402 -25.555 1.00 60.75 C +ATOM 5433 CG GLN B 385 29.566 -45.031 -24.281 1.00 58.55 C +ATOM 5434 CD GLN B 385 28.166 -45.565 -24.439 1.00 69.42 C +ATOM 5435 OE1 GLN B 385 27.926 -46.475 -25.223 1.00 76.26 O +ATOM 5436 NE2 GLN B 385 27.225 -44.983 -23.715 1.00 72.13 N +ATOM 5437 H GLN B 385 32.332 -45.760 -25.646 1.00 15.00 H +ATOM 5438 HE21 GLN B 385 26.321 -45.343 -23.812 1.00 15.00 H +ATOM 5439 HE22 GLN B 385 27.472 -44.244 -23.127 1.00 15.00 H +ATOM 5440 N VAL B 386 30.186 -44.267 -28.796 1.00 60.13 N +ATOM 5441 CA VAL B 386 30.557 -43.453 -29.960 1.00 53.97 C +ATOM 5442 C VAL B 386 29.525 -42.347 -30.110 1.00 50.23 C +ATOM 5443 O VAL B 386 28.438 -42.418 -29.520 1.00 54.52 O +ATOM 5444 CB VAL B 386 30.636 -44.249 -31.279 1.00 53.21 C +ATOM 5445 CG1 VAL B 386 31.899 -45.083 -31.321 1.00 51.54 C +ATOM 5446 CG2 VAL B 386 29.418 -45.119 -31.445 1.00 61.99 C +ATOM 5447 H VAL B 386 29.262 -44.558 -28.719 1.00 15.00 H +ATOM 5448 N THR B 387 29.850 -41.332 -30.898 1.00 41.29 N +ATOM 5449 CA THR B 387 28.932 -40.224 -31.066 1.00 38.09 C +ATOM 5450 C THR B 387 28.479 -39.902 -32.478 1.00 41.68 C +ATOM 5451 O THR B 387 29.237 -39.410 -33.329 1.00 41.13 O +ATOM 5452 CB THR B 387 29.472 -38.967 -30.398 1.00 42.37 C +ATOM 5453 OG1 THR B 387 29.700 -39.247 -29.010 1.00 52.48 O +ATOM 5454 CG2 THR B 387 28.477 -37.815 -30.530 1.00 41.30 C +ATOM 5455 H THR B 387 30.710 -41.316 -31.353 1.00 15.00 H +ATOM 5456 HG1 THR B 387 28.900 -39.648 -28.661 1.00 15.00 H +ATOM 5457 N LEU B 388 27.217 -40.205 -32.721 1.00 42.03 N +ATOM 5458 CA LEU B 388 26.610 -39.935 -34.005 1.00 35.20 C +ATOM 5459 C LEU B 388 26.126 -38.492 -33.934 1.00 28.10 C +ATOM 5460 O LEU B 388 25.621 -38.034 -32.901 1.00 27.80 O +ATOM 5461 CB LEU B 388 25.476 -40.920 -34.245 1.00 34.36 C +ATOM 5462 CG LEU B 388 26.015 -42.348 -34.173 1.00 30.00 C +ATOM 5463 CD1 LEU B 388 24.887 -43.344 -34.263 1.00 29.95 C +ATOM 5464 CD2 LEU B 388 27.018 -42.563 -35.286 1.00 29.08 C +ATOM 5465 H LEU B 388 26.687 -40.611 -32.013 1.00 15.00 H +ATOM 5466 N THR B 389 26.364 -37.760 -35.008 1.00 20.37 N +ATOM 5467 CA THR B 389 26.003 -36.363 -35.071 1.00 24.81 C +ATOM 5468 C THR B 389 25.068 -36.099 -36.244 1.00 29.10 C +ATOM 5469 O THR B 389 25.353 -36.536 -37.354 1.00 26.25 O +ATOM 5470 CB THR B 389 27.278 -35.520 -35.274 1.00 22.06 C +ATOM 5471 OG1 THR B 389 28.199 -35.767 -34.206 1.00 26.50 O +ATOM 5472 CG2 THR B 389 26.952 -34.041 -35.316 1.00 31.85 C +ATOM 5473 H THR B 389 26.796 -38.160 -35.800 1.00 15.00 H +ATOM 5474 HG1 THR B 389 28.322 -36.720 -34.086 1.00 15.00 H +ATOM 5475 N CYS B 390 23.936 -35.440 -35.992 1.00 27.51 N +ATOM 5476 CA CYS B 390 23.004 -35.079 -37.066 1.00 21.73 C +ATOM 5477 C CYS B 390 23.064 -33.570 -37.232 1.00 23.58 C +ATOM 5478 O CYS B 390 22.756 -32.815 -36.290 1.00 21.25 O +ATOM 5479 CB CYS B 390 21.570 -35.451 -36.735 1.00 32.11 C +ATOM 5480 SG CYS B 390 20.360 -34.905 -37.994 1.00 24.35 S +ATOM 5481 H CYS B 390 23.704 -35.211 -35.066 1.00 15.00 H +ATOM 5482 N MET B 391 23.440 -33.140 -38.432 1.00 13.90 N +ATOM 5483 CA MET B 391 23.585 -31.723 -38.743 1.00 12.45 C +ATOM 5484 C MET B 391 22.401 -31.204 -39.523 1.00 11.34 C +ATOM 5485 O MET B 391 22.054 -31.745 -40.565 1.00 16.44 O +ATOM 5486 CB MET B 391 24.868 -31.499 -39.551 1.00 13.18 C +ATOM 5487 CG MET B 391 25.062 -30.076 -40.025 1.00 14.86 C +ATOM 5488 SD MET B 391 26.792 -29.707 -40.282 1.00 22.91 S +ATOM 5489 CE MET B 391 27.049 -30.399 -41.898 1.00 20.33 C +ATOM 5490 H MET B 391 23.589 -33.792 -39.145 1.00 15.00 H +ATOM 5491 N VAL B 392 21.802 -30.132 -39.042 1.00 4.58 N +ATOM 5492 CA VAL B 392 20.660 -29.572 -39.722 1.00 4.80 C +ATOM 5493 C VAL B 392 20.980 -28.128 -40.020 1.00 14.11 C +ATOM 5494 O VAL B 392 21.218 -27.336 -39.116 1.00 26.61 O +ATOM 5495 CB VAL B 392 19.401 -29.696 -38.862 1.00 13.26 C +ATOM 5496 CG1 VAL B 392 18.225 -29.065 -39.568 1.00 21.60 C +ATOM 5497 CG2 VAL B 392 19.109 -31.167 -38.585 1.00 2.00 C +ATOM 5498 H VAL B 392 22.098 -29.701 -38.217 1.00 15.00 H +ATOM 5499 N THR B 393 20.951 -27.778 -41.295 1.00 14.78 N +ATOM 5500 CA THR B 393 21.297 -26.433 -41.693 1.00 20.19 C +ATOM 5501 C THR B 393 20.337 -25.712 -42.645 1.00 24.68 C +ATOM 5502 O THR B 393 19.361 -26.288 -43.135 1.00 8.90 O +ATOM 5503 CB THR B 393 22.686 -26.468 -42.316 1.00 19.60 C +ATOM 5504 OG1 THR B 393 22.780 -27.606 -43.187 1.00 17.76 O +ATOM 5505 CG2 THR B 393 23.742 -26.583 -41.231 1.00 24.89 C +ATOM 5506 H THR B 393 20.674 -28.415 -41.986 1.00 15.00 H +ATOM 5507 HG1 THR B 393 22.568 -28.432 -42.734 1.00 15.00 H +ATOM 5508 N ASP B 394 20.636 -24.433 -42.868 1.00 32.13 N +ATOM 5509 CA ASP B 394 19.892 -23.558 -43.764 1.00 30.69 C +ATOM 5510 C ASP B 394 18.407 -23.804 -43.743 1.00 27.91 C +ATOM 5511 O ASP B 394 17.883 -24.434 -44.652 1.00 33.97 O +ATOM 5512 CB ASP B 394 20.388 -23.711 -45.209 1.00 40.82 C +ATOM 5513 CG ASP B 394 21.892 -23.562 -45.335 1.00 54.48 C +ATOM 5514 OD1 ASP B 394 22.455 -22.604 -44.759 1.00 58.71 O +ATOM 5515 OD2 ASP B 394 22.511 -24.406 -46.020 1.00 57.50 O +ATOM 5516 H ASP B 394 21.388 -24.055 -42.372 1.00 15.00 H +ATOM 5517 N PHE B 395 17.728 -23.338 -42.702 1.00 20.33 N +ATOM 5518 CA PHE B 395 16.286 -23.511 -42.640 1.00 10.80 C +ATOM 5519 C PHE B 395 15.583 -22.391 -41.919 1.00 2.39 C +ATOM 5520 O PHE B 395 16.147 -21.751 -41.043 1.00 6.08 O +ATOM 5521 CB PHE B 395 15.905 -24.881 -42.042 1.00 23.57 C +ATOM 5522 CG PHE B 395 16.296 -25.076 -40.591 1.00 29.90 C +ATOM 5523 CD1 PHE B 395 17.541 -25.589 -40.250 1.00 33.23 C +ATOM 5524 CD2 PHE B 395 15.395 -24.787 -39.563 1.00 26.81 C +ATOM 5525 CE1 PHE B 395 17.876 -25.808 -38.903 1.00 39.23 C +ATOM 5526 CE2 PHE B 395 15.729 -25.007 -38.213 1.00 25.02 C +ATOM 5527 CZ PHE B 395 16.961 -25.514 -37.887 1.00 22.39 C +ATOM 5528 H PHE B 395 18.190 -22.920 -41.945 1.00 15.00 H +ATOM 5529 N MET B 396 14.364 -22.106 -42.346 1.00 14.22 N +ATOM 5530 CA MET B 396 13.537 -21.066 -41.728 1.00 15.69 C +ATOM 5531 C MET B 396 12.104 -21.571 -41.766 1.00 14.81 C +ATOM 5532 O MET B 396 11.701 -22.207 -42.740 1.00 13.65 O +ATOM 5533 CB MET B 396 13.623 -19.751 -42.504 1.00 15.57 C +ATOM 5534 CG MET B 396 14.816 -18.885 -42.167 1.00 18.60 C +ATOM 5535 SD MET B 396 15.111 -17.691 -43.476 1.00 32.22 S +ATOM 5536 CE MET B 396 14.047 -16.348 -42.948 1.00 36.60 C +ATOM 5537 H MET B 396 13.998 -22.628 -43.091 1.00 15.00 H +ATOM 5538 N PRO B 397 11.313 -21.287 -40.720 1.00 6.93 N +ATOM 5539 CA PRO B 397 11.711 -20.527 -39.535 1.00 13.07 C +ATOM 5540 C PRO B 397 12.345 -21.369 -38.424 1.00 6.30 C +ATOM 5541 O PRO B 397 12.543 -22.565 -38.576 1.00 2.96 O +ATOM 5542 CB PRO B 397 10.394 -19.889 -39.097 1.00 19.76 C +ATOM 5543 CG PRO B 397 9.416 -20.958 -39.393 1.00 18.24 C +ATOM 5544 CD PRO B 397 9.858 -21.505 -40.736 1.00 2.00 C +ATOM 5545 N GLU B 398 12.650 -20.718 -37.309 1.00 10.83 N +ATOM 5546 CA GLU B 398 13.276 -21.365 -36.159 1.00 15.75 C +ATOM 5547 C GLU B 398 12.644 -22.721 -35.893 1.00 17.42 C +ATOM 5548 O GLU B 398 13.307 -23.751 -35.963 1.00 23.62 O +ATOM 5549 CB GLU B 398 13.102 -20.483 -34.923 1.00 16.75 C +ATOM 5550 CG GLU B 398 13.144 -18.976 -35.223 1.00 42.71 C +ATOM 5551 CD GLU B 398 12.692 -18.115 -34.047 1.00 54.88 C +ATOM 5552 OE1 GLU B 398 11.672 -18.461 -33.413 1.00 62.62 O +ATOM 5553 OE2 GLU B 398 13.349 -17.088 -33.760 1.00 61.50 O +ATOM 5554 H GLU B 398 12.433 -19.768 -37.310 1.00 15.00 H +ATOM 5555 N ASP B 399 11.332 -22.690 -35.686 1.00 13.84 N +ATOM 5556 CA ASP B 399 10.512 -23.851 -35.379 1.00 10.33 C +ATOM 5557 C ASP B 399 10.825 -25.126 -36.154 1.00 10.38 C +ATOM 5558 O ASP B 399 10.598 -25.184 -37.360 1.00 9.85 O +ATOM 5559 CB ASP B 399 9.040 -23.491 -35.556 1.00 7.64 C +ATOM 5560 CG ASP B 399 8.634 -22.271 -34.744 1.00 31.24 C +ATOM 5561 OD1 ASP B 399 8.955 -21.146 -35.181 1.00 34.42 O +ATOM 5562 OD2 ASP B 399 7.991 -22.427 -33.675 1.00 50.10 O +ATOM 5563 H ASP B 399 10.905 -21.818 -35.770 1.00 15.00 H +ATOM 5564 N ILE B 400 11.275 -26.160 -35.432 1.00 15.34 N +ATOM 5565 CA ILE B 400 11.617 -27.464 -36.006 1.00 6.01 C +ATOM 5566 C ILE B 400 11.536 -28.514 -34.915 1.00 5.78 C +ATOM 5567 O ILE B 400 11.328 -28.186 -33.745 1.00 13.65 O +ATOM 5568 CB ILE B 400 13.045 -27.467 -36.533 1.00 2.00 C +ATOM 5569 CG1 ILE B 400 13.311 -28.706 -37.381 1.00 2.00 C +ATOM 5570 CG2 ILE B 400 14.000 -27.396 -35.377 1.00 8.56 C +ATOM 5571 CD1 ILE B 400 14.561 -28.603 -38.245 1.00 4.43 C +ATOM 5572 H ILE B 400 11.381 -26.065 -34.459 1.00 15.00 H +ATOM 5573 N TYR B 401 11.699 -29.774 -35.307 1.00 6.26 N +ATOM 5574 CA TYR B 401 11.670 -30.892 -34.381 1.00 10.48 C +ATOM 5575 C TYR B 401 12.448 -32.037 -34.977 1.00 6.36 C +ATOM 5576 O TYR B 401 12.040 -32.581 -36.000 1.00 15.20 O +ATOM 5577 CB TYR B 401 10.233 -31.350 -34.133 1.00 7.99 C +ATOM 5578 CG TYR B 401 10.152 -32.674 -33.418 1.00 6.72 C +ATOM 5579 CD1 TYR B 401 10.262 -33.862 -34.117 1.00 6.79 C +ATOM 5580 CD2 TYR B 401 9.972 -32.736 -32.038 1.00 20.11 C +ATOM 5581 CE1 TYR B 401 10.195 -35.080 -33.472 1.00 26.57 C +ATOM 5582 CE2 TYR B 401 9.906 -33.956 -31.378 1.00 21.26 C +ATOM 5583 CZ TYR B 401 10.016 -35.123 -32.105 1.00 17.64 C +ATOM 5584 OH TYR B 401 9.931 -36.341 -31.484 1.00 30.04 O +ATOM 5585 H TYR B 401 11.745 -30.016 -36.254 1.00 15.00 H +ATOM 5586 HH TYR B 401 9.963 -36.222 -30.532 1.00 15.00 H +ATOM 5587 N VAL B 402 13.528 -32.435 -34.322 1.00 2.27 N +ATOM 5588 CA VAL B 402 14.333 -33.545 -34.814 1.00 11.08 C +ATOM 5589 C VAL B 402 14.509 -34.571 -33.707 1.00 10.09 C +ATOM 5590 O VAL B 402 14.604 -34.204 -32.543 1.00 20.73 O +ATOM 5591 CB VAL B 402 15.716 -33.079 -35.359 1.00 9.87 C +ATOM 5592 CG1 VAL B 402 15.918 -31.606 -35.120 1.00 10.74 C +ATOM 5593 CG2 VAL B 402 16.846 -33.883 -34.741 1.00 20.33 C +ATOM 5594 H VAL B 402 13.801 -32.024 -33.475 1.00 15.00 H +ATOM 5595 N GLU B 405 14.518 -35.847 -34.077 1.00 13.31 N +ATOM 5596 CA GLU B 405 14.659 -36.951 -33.132 1.00 19.50 C +ATOM 5597 C GLU B 405 15.503 -38.012 -33.834 1.00 22.28 C +ATOM 5598 O GLU B 405 15.790 -37.869 -35.025 1.00 31.06 O +ATOM 5599 CB GLU B 405 13.270 -37.525 -32.769 1.00 15.83 C +ATOM 5600 CG GLU B 405 12.613 -38.378 -33.872 1.00 29.32 C +ATOM 5601 CD GLU B 405 11.158 -38.794 -33.579 1.00 37.38 C +ATOM 5602 OE1 GLU B 405 10.706 -38.666 -32.417 1.00 28.61 O +ATOM 5603 OE2 GLU B 405 10.466 -39.252 -34.528 1.00 35.80 O +ATOM 5604 H GLU B 405 14.423 -36.061 -35.032 1.00 15.00 H +ATOM 5605 N TRP B 406 15.957 -39.026 -33.096 1.00 24.32 N +ATOM 5606 CA TRP B 406 16.757 -40.117 -33.668 1.00 16.09 C +ATOM 5607 C TRP B 406 15.892 -41.356 -33.571 1.00 19.84 C +ATOM 5608 O TRP B 406 15.105 -41.482 -32.636 1.00 22.43 O +ATOM 5609 CB TRP B 406 18.021 -40.342 -32.856 1.00 10.38 C +ATOM 5610 CG TRP B 406 19.158 -39.482 -33.233 1.00 6.49 C +ATOM 5611 CD1 TRP B 406 19.508 -38.284 -32.669 1.00 6.78 C +ATOM 5612 CD2 TRP B 406 20.130 -39.749 -34.252 1.00 2.00 C +ATOM 5613 NE1 TRP B 406 20.644 -37.790 -33.281 1.00 2.00 N +ATOM 5614 CE2 TRP B 406 21.042 -38.670 -34.256 1.00 2.00 C +ATOM 5615 CE3 TRP B 406 20.315 -40.791 -35.165 1.00 7.63 C +ATOM 5616 CZ2 TRP B 406 22.121 -38.609 -35.138 1.00 3.87 C +ATOM 5617 CZ3 TRP B 406 21.392 -40.729 -36.046 1.00 9.90 C +ATOM 5618 CH2 TRP B 406 22.279 -39.647 -36.025 1.00 9.52 C +ATOM 5619 H TRP B 406 15.731 -39.084 -32.147 1.00 15.00 H +ATOM 5620 HE1 TRP B 406 21.105 -36.963 -33.007 1.00 15.00 H +ATOM 5621 N THR B 407 16.035 -42.276 -34.512 1.00 23.52 N +ATOM 5622 CA THR B 407 15.232 -43.487 -34.489 1.00 27.96 C +ATOM 5623 C THR B 407 16.087 -44.677 -34.818 1.00 38.38 C +ATOM 5624 O THR B 407 17.079 -44.549 -35.532 1.00 40.07 O +ATOM 5625 CB THR B 407 14.124 -43.450 -35.537 1.00 29.52 C +ATOM 5626 OG1 THR B 407 14.688 -43.165 -36.826 1.00 43.37 O +ATOM 5627 CG2 THR B 407 13.099 -42.408 -35.185 1.00 33.21 C +ATOM 5628 H THR B 407 16.676 -42.171 -35.246 1.00 15.00 H +ATOM 5629 HG1 THR B 407 15.367 -43.807 -37.046 1.00 15.00 H +ATOM 5630 N ASN B 408 15.687 -45.836 -34.310 1.00 56.10 N +ATOM 5631 CA ASN B 408 16.403 -47.076 -34.571 1.00 75.66 C +ATOM 5632 C ASN B 408 15.393 -48.144 -34.933 1.00 88.50 C +ATOM 5633 O ASN B 408 14.555 -48.523 -34.114 1.00 92.72 O +ATOM 5634 CB ASN B 408 17.221 -47.533 -33.367 1.00 79.15 C +ATOM 5635 CG ASN B 408 18.073 -48.755 -33.678 1.00 86.23 C +ATOM 5636 OD1 ASN B 408 18.452 -48.993 -34.830 1.00 85.06 O +ATOM 5637 ND2 ASN B 408 18.375 -49.538 -32.653 1.00 88.90 N +ATOM 5638 H ASN B 408 14.886 -45.884 -33.743 1.00 15.00 H +ATOM 5639 HD21 ASN B 408 18.970 -50.296 -32.832 1.00 15.00 H +ATOM 5640 HD22 ASN B 408 18.024 -49.314 -31.771 1.00 15.00 H +ATOM 5641 N ASN B 410 15.455 -48.590 -36.183 1.00102.30 N +ATOM 5642 CA ASN B 410 14.551 -49.609 -36.714 1.00114.17 C +ATOM 5643 C ASN B 410 13.078 -49.306 -36.420 1.00120.06 C +ATOM 5644 O ASN B 410 12.283 -50.212 -36.156 1.00120.44 O +ATOM 5645 CB ASN B 410 14.933 -50.998 -36.194 1.00116.17 C +ATOM 5646 CG ASN B 410 14.639 -52.094 -37.199 1.00118.84 C +ATOM 5647 OD1 ASN B 410 15.457 -52.378 -38.077 1.00120.95 O +ATOM 5648 ND2 ASN B 410 13.467 -52.704 -37.090 1.00117.58 N +ATOM 5649 H ASN B 410 16.175 -48.224 -36.743 1.00 15.00 H +ATOM 5650 HD21 ASN B 410 13.276 -53.422 -37.721 1.00 15.00 H +ATOM 5651 HD22 ASN B 410 12.854 -52.401 -36.386 1.00 15.00 H +ATOM 5652 N GLY B 411 12.725 -48.023 -36.465 1.00124.96 N +ATOM 5653 CA GLY B 411 11.352 -47.623 -36.216 1.00132.24 C +ATOM 5654 C GLY B 411 11.089 -46.967 -34.872 1.00137.38 C +ATOM 5655 O GLY B 411 10.450 -45.915 -34.814 1.00137.84 O +ATOM 5656 H GLY B 411 13.390 -47.338 -36.664 1.00 15.00 H +ATOM 5657 N LYS B 414 11.572 -47.572 -33.791 1.00142.09 N +ATOM 5658 CA LYS B 414 11.350 -47.012 -32.459 1.00146.87 C +ATOM 5659 C LYS B 414 12.170 -45.748 -32.196 1.00147.57 C +ATOM 5660 O LYS B 414 13.321 -45.637 -32.636 1.00148.34 O +ATOM 5661 CB LYS B 414 11.576 -48.071 -31.358 1.00148.71 C +ATOM 5662 CG LYS B 414 12.970 -48.711 -31.298 1.00150.51 C +ATOM 5663 CD LYS B 414 12.989 -49.976 -30.416 1.00146.38 C +ATOM 5664 CE LYS B 414 12.892 -49.676 -28.921 1.00141.53 C +ATOM 5665 NZ LYS B 414 14.168 -49.146 -28.358 1.00136.53 N +ATOM 5666 H LYS B 414 12.098 -48.392 -33.889 1.00 15.00 H +ATOM 5667 HZ1 LYS B 414 14.431 -48.271 -28.855 1.00 15.00 H +ATOM 5668 HZ2 LYS B 414 14.034 -48.949 -27.345 1.00 15.00 H +ATOM 5669 HZ3 LYS B 414 14.920 -49.854 -28.479 1.00 15.00 H +ATOM 5670 N THR B 415 11.542 -44.772 -31.541 1.00148.24 N +ATOM 5671 CA THR B 415 12.203 -43.513 -31.207 1.00148.23 C +ATOM 5672 C THR B 415 13.365 -43.815 -30.260 1.00143.76 C +ATOM 5673 O THR B 415 13.167 -44.307 -29.144 1.00146.27 O +ATOM 5674 CB THR B 415 11.222 -42.515 -30.540 1.00151.76 C +ATOM 5675 OG1 THR B 415 10.063 -42.353 -31.372 1.00154.00 O +ATOM 5676 CG2 THR B 415 11.891 -41.152 -30.340 1.00152.50 C +ATOM 5677 H THR B 415 10.607 -44.870 -31.273 1.00 15.00 H +ATOM 5678 HG1 THR B 415 10.321 -41.935 -32.201 1.00 15.00 H +ATOM 5679 N GLU B 416 14.577 -43.554 -30.734 1.00135.01 N +ATOM 5680 CA GLU B 416 15.783 -43.812 -29.960 1.00125.86 C +ATOM 5681 C GLU B 416 15.899 -42.929 -28.720 1.00116.94 C +ATOM 5682 O GLU B 416 15.402 -41.802 -28.692 1.00116.73 O +ATOM 5683 CB GLU B 416 17.017 -43.645 -30.852 1.00129.99 C +ATOM 5684 CG GLU B 416 18.339 -44.002 -30.189 1.00136.57 C +ATOM 5685 CD GLU B 416 18.367 -45.422 -29.652 1.00144.89 C +ATOM 5686 OE1 GLU B 416 18.348 -46.371 -30.463 1.00150.10 O +ATOM 5687 OE2 GLU B 416 18.410 -45.592 -28.415 1.00152.13 O +ATOM 5688 H GLU B 416 14.657 -43.141 -31.615 1.00 15.00 H +ATOM 5689 N LEU B 417 16.521 -43.477 -27.682 1.00106.23 N +ATOM 5690 CA LEU B 417 16.736 -42.762 -26.431 1.00 95.28 C +ATOM 5691 C LEU B 417 18.191 -42.301 -26.470 1.00 87.25 C +ATOM 5692 O LEU B 417 18.961 -42.748 -27.316 1.00 82.04 O +ATOM 5693 CB LEU B 417 16.571 -43.705 -25.221 1.00 98.61 C +ATOM 5694 CG LEU B 417 15.528 -44.826 -25.056 1.00 98.52 C +ATOM 5695 CD1 LEU B 417 14.120 -44.297 -25.276 1.00101.86 C +ATOM 5696 CD2 LEU B 417 15.829 -45.998 -25.987 1.00 93.86 C +ATOM 5697 H LEU B 417 16.859 -44.384 -27.773 1.00 15.00 H +ATOM 5698 N ASN B 418 18.566 -41.421 -25.550 1.00 83.34 N +ATOM 5699 CA ASN B 418 19.943 -40.939 -25.449 1.00 78.85 C +ATOM 5700 C ASN B 418 20.482 -40.078 -26.587 1.00 67.73 C +ATOM 5701 O ASN B 418 21.610 -40.275 -27.046 1.00 72.18 O +ATOM 5702 CB ASN B 418 20.907 -42.107 -25.194 1.00 93.77 C +ATOM 5703 CG ASN B 418 20.623 -42.829 -23.889 1.00103.78 C +ATOM 5704 OD1 ASN B 418 19.931 -42.305 -23.011 1.00106.73 O +ATOM 5705 ND2 ASN B 418 21.155 -44.042 -23.756 1.00109.61 N +ATOM 5706 H ASN B 418 17.910 -41.090 -24.907 1.00 15.00 H +ATOM 5707 HD21 ASN B 418 20.988 -44.529 -22.924 1.00 15.00 H +ATOM 5708 HD22 ASN B 418 21.686 -44.384 -24.505 1.00 15.00 H +ATOM 5709 N TYR B 419 19.674 -39.139 -27.058 1.00 50.76 N +ATOM 5710 CA TYR B 419 20.113 -38.223 -28.096 1.00 25.45 C +ATOM 5711 C TYR B 419 19.809 -36.880 -27.465 1.00 17.47 C +ATOM 5712 O TYR B 419 18.883 -36.771 -26.676 1.00 5.50 O +ATOM 5713 CB TYR B 419 19.352 -38.433 -29.421 1.00 24.41 C +ATOM 5714 CG TYR B 419 17.912 -37.971 -29.436 1.00 20.97 C +ATOM 5715 CD1 TYR B 419 17.595 -36.640 -29.661 1.00 29.42 C +ATOM 5716 CD2 TYR B 419 16.872 -38.854 -29.180 1.00 24.43 C +ATOM 5717 CE1 TYR B 419 16.275 -36.194 -29.619 1.00 35.51 C +ATOM 5718 CE2 TYR B 419 15.543 -38.421 -29.136 1.00 25.07 C +ATOM 5719 CZ TYR B 419 15.252 -37.085 -29.351 1.00 31.69 C +ATOM 5720 OH TYR B 419 13.954 -36.619 -29.267 1.00 31.17 O +ATOM 5721 H TYR B 419 18.778 -39.010 -26.687 1.00 15.00 H +ATOM 5722 HH TYR B 419 13.967 -35.667 -29.426 1.00 15.00 H +ATOM 5723 N LYS B 420 20.635 -35.883 -27.730 1.00 19.38 N +ATOM 5724 CA LYS B 420 20.416 -34.565 -27.162 1.00 22.69 C +ATOM 5725 C LYS B 420 20.445 -33.529 -28.292 1.00 23.05 C +ATOM 5726 O LYS B 420 21.233 -33.655 -29.232 1.00 27.96 O +ATOM 5727 CB LYS B 420 21.477 -34.292 -26.102 1.00 16.82 C +ATOM 5728 CG LYS B 420 20.909 -33.814 -24.751 1.00 42.86 C +ATOM 5729 CD LYS B 420 19.805 -34.729 -24.188 1.00 48.88 C +ATOM 5730 CE LYS B 420 20.287 -36.166 -23.940 1.00 57.54 C +ATOM 5731 NZ LYS B 420 19.177 -37.089 -23.519 1.00 60.93 N +ATOM 5732 H LYS B 420 21.390 -36.030 -28.338 1.00 15.00 H +ATOM 5733 HZ1 LYS B 420 18.420 -37.061 -24.236 1.00 15.00 H +ATOM 5734 HZ2 LYS B 420 19.530 -38.064 -23.430 1.00 15.00 H +ATOM 5735 HZ3 LYS B 420 18.791 -36.766 -22.609 1.00 15.00 H +ATOM 5736 N ASN B 421 19.563 -32.536 -28.227 1.00 17.06 N +ATOM 5737 CA ASN B 421 19.488 -31.534 -29.283 1.00 14.64 C +ATOM 5738 C ASN B 421 19.893 -30.162 -28.860 1.00 16.05 C +ATOM 5739 O ASN B 421 19.466 -29.664 -27.809 1.00 16.06 O +ATOM 5740 CB ASN B 421 18.074 -31.406 -29.834 1.00 13.71 C +ATOM 5741 CG ASN B 421 17.642 -32.604 -30.622 1.00 11.22 C +ATOM 5742 OD1 ASN B 421 16.461 -32.925 -30.669 1.00 24.28 O +ATOM 5743 ND2 ASN B 421 18.580 -33.257 -31.267 1.00 2.00 N +ATOM 5744 H ASN B 421 18.968 -32.449 -27.461 1.00 15.00 H +ATOM 5745 HD21 ASN B 421 18.278 -34.053 -31.743 1.00 15.00 H +ATOM 5746 HD22 ASN B 421 19.497 -32.942 -31.232 1.00 15.00 H +ATOM 5747 N THR B 422 20.675 -29.523 -29.715 1.00 13.83 N +ATOM 5748 CA THR B 422 21.091 -28.160 -29.444 1.00 18.34 C +ATOM 5749 C THR B 422 19.875 -27.297 -29.745 1.00 15.63 C +ATOM 5750 O THR B 422 18.922 -27.752 -30.367 1.00 20.16 O +ATOM 5751 CB THR B 422 22.211 -27.716 -30.389 1.00 13.63 C +ATOM 5752 OG1 THR B 422 21.783 -27.890 -31.740 1.00 18.27 O +ATOM 5753 CG2 THR B 422 23.461 -28.553 -30.172 1.00 22.26 C +ATOM 5754 H THR B 422 20.945 -29.937 -30.563 1.00 15.00 H +ATOM 5755 HG1 THR B 422 20.895 -27.527 -31.858 1.00 15.00 H +ATOM 5756 N GLU B 423 19.870 -26.076 -29.247 1.00 15.47 N +ATOM 5757 CA GLU B 423 18.782 -25.175 -29.549 1.00 14.56 C +ATOM 5758 C GLU B 423 19.260 -24.627 -30.903 1.00 14.55 C +ATOM 5759 O GLU B 423 20.461 -24.696 -31.207 1.00 16.04 O +ATOM 5760 CB GLU B 423 18.700 -24.071 -28.485 1.00 31.75 C +ATOM 5761 CG GLU B 423 17.407 -23.245 -28.468 1.00 50.59 C +ATOM 5762 CD GLU B 423 16.232 -23.945 -27.794 1.00 62.11 C +ATOM 5763 OE1 GLU B 423 15.944 -25.122 -28.119 1.00 59.08 O +ATOM 5764 OE2 GLU B 423 15.582 -23.296 -26.942 1.00 65.85 O +ATOM 5765 H GLU B 423 20.603 -25.774 -28.679 1.00 15.00 H +ATOM 5766 N PRO B 424 18.327 -24.230 -31.785 1.00 15.79 N +ATOM 5767 CA PRO B 424 18.647 -23.687 -33.109 1.00 11.89 C +ATOM 5768 C PRO B 424 19.352 -22.338 -33.058 1.00 10.58 C +ATOM 5769 O PRO B 424 18.914 -21.418 -32.340 1.00 3.09 O +ATOM 5770 CB PRO B 424 17.277 -23.568 -33.751 1.00 5.94 C +ATOM 5771 CG PRO B 424 16.577 -24.735 -33.199 1.00 18.61 C +ATOM 5772 CD PRO B 424 16.901 -24.586 -31.734 1.00 24.49 C +ATOM 5773 N VAL B 425 20.420 -22.218 -33.846 1.00 3.95 N +ATOM 5774 CA VAL B 425 21.209 -20.995 -33.890 1.00 10.36 C +ATOM 5775 C VAL B 425 21.100 -20.296 -35.243 1.00 10.86 C +ATOM 5776 O VAL B 425 21.022 -20.946 -36.288 1.00 18.13 O +ATOM 5777 CB VAL B 425 22.688 -21.296 -33.565 1.00 3.39 C +ATOM 5778 CG1 VAL B 425 23.530 -20.030 -33.645 1.00 7.42 C +ATOM 5779 CG2 VAL B 425 22.788 -21.890 -32.181 1.00 2.00 C +ATOM 5780 H VAL B 425 20.691 -22.973 -34.415 1.00 15.00 H +ATOM 5781 N LEU B 426 21.096 -18.970 -35.212 1.00 8.22 N +ATOM 5782 CA LEU B 426 20.990 -18.151 -36.417 1.00 6.40 C +ATOM 5783 C LEU B 426 22.320 -18.021 -37.118 1.00 5.28 C +ATOM 5784 O LEU B 426 23.216 -17.348 -36.631 1.00 10.75 O +ATOM 5785 CB LEU B 426 20.473 -16.761 -36.044 1.00 14.94 C +ATOM 5786 CG LEU B 426 20.100 -15.792 -37.165 1.00 20.11 C +ATOM 5787 CD1 LEU B 426 19.390 -16.507 -38.293 1.00 19.33 C +ATOM 5788 CD2 LEU B 426 19.215 -14.714 -36.582 1.00 3.11 C +ATOM 5789 H LEU B 426 21.188 -18.514 -34.352 1.00 15.00 H +ATOM 5790 N ASP B 427 22.442 -18.698 -38.251 1.00 11.70 N +ATOM 5791 CA ASP B 427 23.649 -18.701 -39.062 1.00 2.00 C +ATOM 5792 C ASP B 427 23.822 -17.322 -39.641 1.00 18.94 C +ATOM 5793 O ASP B 427 22.948 -16.459 -39.504 1.00 27.96 O +ATOM 5794 CB ASP B 427 23.454 -19.658 -40.212 1.00 2.00 C +ATOM 5795 CG ASP B 427 24.711 -20.375 -40.600 1.00 9.33 C +ATOM 5796 OD1 ASP B 427 25.820 -19.811 -40.448 1.00 2.00 O +ATOM 5797 OD2 ASP B 427 24.563 -21.523 -41.077 1.00 3.58 O +ATOM 5798 H ASP B 427 21.668 -19.204 -38.546 1.00 15.00 H +ATOM 5799 N SER B 428 24.919 -17.141 -40.357 1.00 26.14 N +ATOM 5800 CA SER B 428 25.230 -15.873 -41.003 1.00 42.28 C +ATOM 5801 C SER B 428 24.149 -15.418 -41.995 1.00 42.22 C +ATOM 5802 O SER B 428 23.634 -14.297 -41.895 1.00 44.17 O +ATOM 5803 CB SER B 428 26.586 -15.996 -41.711 1.00 50.09 C +ATOM 5804 OG SER B 428 26.793 -17.319 -42.206 1.00 57.50 O +ATOM 5805 H SER B 428 25.576 -17.845 -40.487 1.00 15.00 H +ATOM 5806 HG SER B 428 27.655 -17.344 -42.640 1.00 15.00 H +ATOM 5807 N ASP B 430 23.778 -16.305 -42.921 1.00 38.65 N +ATOM 5808 CA ASP B 430 22.776 -15.982 -43.939 1.00 34.44 C +ATOM 5809 C ASP B 430 21.306 -15.983 -43.512 1.00 33.67 C +ATOM 5810 O ASP B 430 20.435 -16.394 -44.280 1.00 42.32 O +ATOM 5811 CB ASP B 430 22.968 -16.836 -45.210 1.00 22.98 C +ATOM 5812 CG ASP B 430 22.920 -18.324 -44.953 1.00 27.73 C +ATOM 5813 OD1 ASP B 430 22.081 -18.766 -44.145 1.00 27.32 O +ATOM 5814 OD2 ASP B 430 23.714 -19.056 -45.590 1.00 35.73 O +ATOM 5815 H ASP B 430 24.200 -17.189 -42.905 1.00 15.00 H +ATOM 5816 N GLY B 433 21.025 -15.515 -42.304 1.00 26.87 N +ATOM 5817 CA GLY B 433 19.653 -15.480 -41.838 1.00 31.01 C +ATOM 5818 C GLY B 433 18.953 -16.820 -41.624 1.00 33.31 C +ATOM 5819 O GLY B 433 17.825 -16.843 -41.122 1.00 38.11 O +ATOM 5820 H GLY B 433 21.735 -15.176 -41.711 1.00 15.00 H +ATOM 5821 N SER B 434 19.580 -17.925 -42.018 1.00 22.88 N +ATOM 5822 CA SER B 434 18.972 -19.228 -41.827 1.00 23.66 C +ATOM 5823 C SER B 434 19.416 -19.793 -40.482 1.00 27.92 C +ATOM 5824 O SER B 434 20.316 -19.253 -39.845 1.00 37.06 O +ATOM 5825 CB SER B 434 19.396 -20.174 -42.945 1.00 31.52 C +ATOM 5826 OG SER B 434 20.711 -20.665 -42.744 1.00 41.20 O +ATOM 5827 H SER B 434 20.455 -17.885 -42.432 1.00 15.00 H +ATOM 5828 HG SER B 434 21.045 -21.026 -43.571 1.00 15.00 H +ATOM 5829 N TYR B 435 18.790 -20.884 -40.062 1.00 24.62 N +ATOM 5830 CA TYR B 435 19.127 -21.535 -38.803 1.00 21.29 C +ATOM 5831 C TYR B 435 19.781 -22.894 -39.005 1.00 26.09 C +ATOM 5832 O TYR B 435 19.628 -23.520 -40.066 1.00 36.99 O +ATOM 5833 CB TYR B 435 17.875 -21.719 -37.955 1.00 13.01 C +ATOM 5834 CG TYR B 435 17.326 -20.429 -37.418 1.00 8.83 C +ATOM 5835 CD1 TYR B 435 17.762 -19.922 -36.197 1.00 12.75 C +ATOM 5836 CD2 TYR B 435 16.358 -19.719 -38.114 1.00 5.60 C +ATOM 5837 CE1 TYR B 435 17.242 -18.728 -35.677 1.00 15.23 C +ATOM 5838 CE2 TYR B 435 15.831 -18.524 -37.600 1.00 14.50 C +ATOM 5839 CZ TYR B 435 16.279 -18.038 -36.384 1.00 9.80 C +ATOM 5840 OH TYR B 435 15.762 -16.864 -35.872 1.00 29.23 O +ATOM 5841 H TYR B 435 18.061 -21.272 -40.587 1.00 15.00 H +ATOM 5842 HH TYR B 435 15.155 -16.475 -36.508 1.00 15.00 H +ATOM 5843 N PHE B 436 20.542 -23.328 -38.003 1.00 19.99 N +ATOM 5844 CA PHE B 436 21.204 -24.632 -38.026 1.00 9.97 C +ATOM 5845 C PHE B 436 21.113 -25.171 -36.623 1.00 8.69 C +ATOM 5846 O PHE B 436 20.743 -24.434 -35.702 1.00 8.55 O +ATOM 5847 CB PHE B 436 22.683 -24.536 -38.450 1.00 10.79 C +ATOM 5848 CG PHE B 436 23.573 -23.853 -37.448 1.00 15.97 C +ATOM 5849 CD1 PHE B 436 23.493 -22.473 -37.239 1.00 29.93 C +ATOM 5850 CD2 PHE B 436 24.482 -24.586 -36.695 1.00 16.01 C +ATOM 5851 CE1 PHE B 436 24.307 -21.830 -36.284 1.00 26.65 C +ATOM 5852 CE2 PHE B 436 25.297 -23.959 -35.742 1.00 13.60 C +ATOM 5853 CZ PHE B 436 25.206 -22.574 -35.537 1.00 13.91 C +ATOM 5854 H PHE B 436 20.681 -22.763 -37.213 1.00 15.00 H +ATOM 5855 N MET B 437 21.415 -26.453 -36.465 1.00 5.86 N +ATOM 5856 CA MET B 437 21.389 -27.092 -35.159 1.00 4.55 C +ATOM 5857 C MET B 437 21.743 -28.556 -35.301 1.00 5.51 C +ATOM 5858 O MET B 437 21.564 -29.131 -36.373 1.00 20.42 O +ATOM 5859 CB MET B 437 20.038 -26.901 -34.477 1.00 2.00 C +ATOM 5860 CG MET B 437 18.898 -27.531 -35.179 1.00 16.31 C +ATOM 5861 SD MET B 437 18.499 -29.125 -34.485 1.00 30.53 S +ATOM 5862 CE MET B 437 17.079 -28.666 -33.468 1.00 2.00 C +ATOM 5863 H MET B 437 21.631 -27.013 -37.245 1.00 15.00 H +ATOM 5864 N TYR B 438 22.302 -29.136 -34.239 1.00 8.21 N +ATOM 5865 CA TYR B 438 22.731 -30.532 -34.241 1.00 3.67 C +ATOM 5866 C TYR B 438 22.002 -31.383 -33.219 1.00 6.18 C +ATOM 5867 O TYR B 438 21.423 -30.877 -32.244 1.00 6.45 O +ATOM 5868 CB TYR B 438 24.217 -30.653 -33.940 1.00 2.00 C +ATOM 5869 CG TYR B 438 25.172 -29.916 -34.856 1.00 2.00 C +ATOM 5870 CD1 TYR B 438 25.359 -28.535 -34.748 1.00 2.00 C +ATOM 5871 CD2 TYR B 438 25.936 -30.610 -35.792 1.00 2.76 C +ATOM 5872 CE1 TYR B 438 26.286 -27.868 -35.553 1.00 2.00 C +ATOM 5873 CE2 TYR B 438 26.869 -29.948 -36.605 1.00 2.00 C +ATOM 5874 CZ TYR B 438 27.029 -28.583 -36.478 1.00 2.00 C +ATOM 5875 OH TYR B 438 27.903 -27.931 -37.303 1.00 8.32 O +ATOM 5876 H TYR B 438 22.383 -28.645 -33.397 1.00 15.00 H +ATOM 5877 HH TYR B 438 28.324 -28.563 -37.906 1.00 15.00 H +ATOM 5878 N SER B 439 22.054 -32.689 -33.443 1.00 3.93 N +ATOM 5879 CA SER B 439 21.432 -33.660 -32.555 1.00 5.65 C +ATOM 5880 C SER B 439 22.480 -34.710 -32.382 1.00 13.71 C +ATOM 5881 O SER B 439 22.826 -35.404 -33.346 1.00 15.93 O +ATOM 5882 CB SER B 439 20.226 -34.330 -33.203 1.00 11.66 C +ATOM 5883 OG SER B 439 19.708 -35.358 -32.365 1.00 2.00 O +ATOM 5884 H SER B 439 22.518 -33.017 -34.244 1.00 15.00 H +ATOM 5885 HG SER B 439 19.018 -35.800 -32.874 1.00 15.00 H +ATOM 5886 N LYS B 440 22.965 -34.830 -31.155 1.00 14.55 N +ATOM 5887 CA LYS B 440 24.009 -35.779 -30.801 1.00 17.29 C +ATOM 5888 C LYS B 440 23.377 -37.070 -30.313 1.00 11.96 C +ATOM 5889 O LYS B 440 22.368 -37.037 -29.605 1.00 14.98 O +ATOM 5890 CB LYS B 440 24.841 -35.158 -29.680 1.00 21.57 C +ATOM 5891 CG LYS B 440 26.105 -35.878 -29.302 1.00 34.44 C +ATOM 5892 CD LYS B 440 26.781 -35.137 -28.153 1.00 30.01 C +ATOM 5893 CE LYS B 440 26.820 -35.976 -26.882 1.00 37.11 C +ATOM 5894 NZ LYS B 440 25.477 -36.436 -26.370 1.00 24.14 N +ATOM 5895 H LYS B 440 22.601 -34.263 -30.446 1.00 15.00 H +ATOM 5896 HZ1 LYS B 440 24.866 -35.608 -26.216 1.00 15.00 H +ATOM 5897 HZ2 LYS B 440 25.044 -37.068 -27.073 1.00 15.00 H +ATOM 5898 HZ3 LYS B 440 25.600 -36.944 -25.472 1.00 15.00 H +ATOM 5899 N LEU B 441 23.948 -38.201 -30.708 1.00 6.77 N +ATOM 5900 CA LEU B 441 23.444 -39.497 -30.270 1.00 13.48 C +ATOM 5901 C LEU B 441 24.618 -40.327 -29.815 1.00 21.68 C +ATOM 5902 O LEU B 441 25.598 -40.487 -30.550 1.00 30.40 O +ATOM 5903 CB LEU B 441 22.722 -40.234 -31.390 1.00 2.90 C +ATOM 5904 CG LEU B 441 22.243 -41.635 -31.009 1.00 7.69 C +ATOM 5905 CD1 LEU B 441 21.241 -41.550 -29.890 1.00 2.26 C +ATOM 5906 CD2 LEU B 441 21.649 -42.353 -32.212 1.00 5.98 C +ATOM 5907 H LEU B 441 24.733 -38.170 -31.287 1.00 15.00 H +ATOM 5908 N ARG B 442 24.526 -40.831 -28.591 1.00 28.25 N +ATOM 5909 CA ARG B 442 25.574 -41.661 -28.005 1.00 39.58 C +ATOM 5910 C ARG B 442 25.148 -43.116 -28.083 1.00 39.64 C +ATOM 5911 O ARG B 442 24.050 -43.468 -27.650 1.00 38.84 O +ATOM 5912 CB ARG B 442 25.764 -41.315 -26.528 1.00 43.47 C +ATOM 5913 CG ARG B 442 26.464 -40.022 -26.252 1.00 57.19 C +ATOM 5914 CD ARG B 442 27.970 -40.170 -26.358 1.00 65.44 C +ATOM 5915 NE ARG B 442 28.639 -39.019 -25.759 1.00 76.92 N +ATOM 5916 CZ ARG B 442 28.549 -38.686 -24.472 1.00 80.31 C +ATOM 5917 NH1 ARG B 442 27.840 -39.430 -23.628 1.00 73.36 N +ATOM 5918 NH2 ARG B 442 29.189 -37.616 -24.022 1.00 83.89 N +ATOM 5919 H ARG B 442 23.707 -40.683 -28.065 1.00 15.00 H +ATOM 5920 HE ARG B 442 29.199 -38.461 -26.337 1.00 15.00 H +ATOM 5921 HH11 ARG B 442 27.372 -40.254 -23.944 1.00 15.00 H +ATOM 5922 HH12 ARG B 442 27.780 -39.169 -22.665 1.00 15.00 H +ATOM 5923 HH21 ARG B 442 29.743 -37.066 -24.645 1.00 15.00 H +ATOM 5924 HH22 ARG B 442 29.123 -37.366 -23.055 1.00 15.00 H +ATOM 5925 N VAL B 443 26.010 -43.971 -28.609 1.00 40.48 N +ATOM 5926 CA VAL B 443 25.683 -45.385 -28.691 1.00 48.20 C +ATOM 5927 C VAL B 443 26.887 -46.291 -28.442 1.00 59.36 C +ATOM 5928 O VAL B 443 28.030 -45.891 -28.649 1.00 64.24 O +ATOM 5929 CB VAL B 443 25.054 -45.740 -30.042 1.00 47.44 C +ATOM 5930 CG1 VAL B 443 23.726 -45.041 -30.195 1.00 42.35 C +ATOM 5931 CG2 VAL B 443 25.989 -45.378 -31.178 1.00 40.85 C +ATOM 5932 H VAL B 443 26.881 -43.659 -28.940 1.00 15.00 H +ATOM 5933 N GLU B 444 26.616 -47.518 -28.002 1.00 70.01 N +ATOM 5934 CA GLU B 444 27.661 -48.508 -27.718 1.00 79.01 C +ATOM 5935 C GLU B 444 28.270 -49.023 -29.025 1.00 75.52 C +ATOM 5936 O GLU B 444 27.593 -49.696 -29.808 1.00 73.59 O +ATOM 5937 CB GLU B 444 27.106 -49.694 -26.900 1.00 91.83 C +ATOM 5938 CG GLU B 444 25.642 -49.589 -26.415 1.00108.64 C +ATOM 5939 CD GLU B 444 25.433 -48.609 -25.259 1.00118.32 C +ATOM 5940 OE1 GLU B 444 26.245 -48.611 -24.308 1.00122.28 O +ATOM 5941 OE2 GLU B 444 24.436 -47.851 -25.289 1.00127.83 O +ATOM 5942 H GLU B 444 25.673 -47.729 -27.885 1.00 15.00 H +ATOM 5943 N LYS B 445 29.550 -48.726 -29.227 1.00 70.76 N +ATOM 5944 CA LYS B 445 30.305 -49.102 -30.419 1.00 75.31 C +ATOM 5945 C LYS B 445 29.894 -50.389 -31.113 1.00 79.27 C +ATOM 5946 O LYS B 445 29.895 -50.453 -32.344 1.00 81.23 O +ATOM 5947 CB LYS B 445 31.798 -49.154 -30.101 1.00 80.36 C +ATOM 5948 CG LYS B 445 32.681 -49.350 -31.323 1.00 87.97 C +ATOM 5949 CD LYS B 445 34.151 -49.419 -30.939 1.00103.00 C +ATOM 5950 CE LYS B 445 35.050 -49.618 -32.158 1.00113.96 C +ATOM 5951 NZ LYS B 445 34.852 -50.939 -32.831 1.00124.74 N +ATOM 5952 H LYS B 445 29.993 -48.182 -28.555 1.00 15.00 H +ATOM 5953 HZ1 LYS B 445 33.863 -51.028 -33.142 1.00 15.00 H +ATOM 5954 HZ2 LYS B 445 35.481 -51.001 -33.657 1.00 15.00 H +ATOM 5955 HZ3 LYS B 445 35.079 -51.709 -32.170 1.00 15.00 H +ATOM 5956 N LYS B 446 29.550 -51.412 -30.335 1.00 86.83 N +ATOM 5957 CA LYS B 446 29.143 -52.693 -30.912 1.00 91.91 C +ATOM 5958 C LYS B 446 28.032 -52.504 -31.940 1.00 92.00 C +ATOM 5959 O LYS B 446 28.168 -52.913 -33.095 1.00 89.82 O +ATOM 5960 CB LYS B 446 28.716 -53.691 -29.822 1.00 95.20 C +ATOM 5961 CG LYS B 446 27.641 -53.200 -28.864 1.00 98.56 C +ATOM 5962 CD LYS B 446 27.250 -54.285 -27.868 1.00104.87 C +ATOM 5963 CE LYS B 446 26.670 -55.514 -28.564 1.00105.95 C +ATOM 5964 NZ LYS B 446 26.225 -56.547 -27.585 1.00110.93 N +ATOM 5965 H LYS B 446 29.588 -51.291 -29.366 1.00 15.00 H +ATOM 5966 HZ1 LYS B 446 25.501 -56.133 -26.963 1.00 15.00 H +ATOM 5967 HZ2 LYS B 446 25.827 -57.364 -28.089 1.00 15.00 H +ATOM 5968 HZ3 LYS B 446 27.040 -56.848 -27.014 1.00 15.00 H +ATOM 5969 N ASN B 447 26.990 -51.784 -31.536 1.00 91.90 N +ATOM 5970 CA ASN B 447 25.836 -51.508 -32.390 1.00 91.23 C +ATOM 5971 C ASN B 447 26.207 -50.744 -33.661 1.00 91.51 C +ATOM 5972 O ASN B 447 25.540 -50.877 -34.689 1.00 95.53 O +ATOM 5973 CB ASN B 447 24.788 -50.690 -31.626 1.00 87.53 C +ATOM 5974 CG ASN B 447 24.277 -51.396 -30.393 1.00 84.07 C +ATOM 5975 OD1 ASN B 447 23.312 -52.156 -30.452 1.00 87.60 O +ATOM 5976 ND2 ASN B 447 24.912 -51.136 -29.260 1.00 80.12 N +ATOM 5977 H ASN B 447 27.025 -51.404 -30.638 1.00 15.00 H +ATOM 5978 HD21 ASN B 447 24.564 -51.599 -28.468 1.00 15.00 H +ATOM 5979 HD22 ASN B 447 25.668 -50.513 -29.267 1.00 15.00 H +ATOM 5980 N TRP B 448 27.259 -49.934 -33.583 1.00 88.35 N +ATOM 5981 CA TRP B 448 27.706 -49.129 -34.715 1.00 86.79 C +ATOM 5982 C TRP B 448 28.362 -49.951 -35.828 1.00 93.86 C +ATOM 5983 O TRP B 448 27.896 -49.936 -36.971 1.00 86.71 O +ATOM 5984 CB TRP B 448 28.640 -48.016 -34.216 1.00 75.39 C +ATOM 5985 CG TRP B 448 29.274 -47.164 -35.278 1.00 68.02 C +ATOM 5986 CD1 TRP B 448 30.610 -47.021 -35.515 1.00 69.56 C +ATOM 5987 CD2 TRP B 448 28.609 -46.324 -36.226 1.00 66.29 C +ATOM 5988 NE1 TRP B 448 30.819 -46.145 -36.549 1.00 68.64 N +ATOM 5989 CE2 TRP B 448 29.609 -45.701 -37.006 1.00 68.51 C +ATOM 5990 CE3 TRP B 448 27.268 -46.036 -36.493 1.00 65.92 C +ATOM 5991 CZ2 TRP B 448 29.309 -44.809 -38.035 1.00 66.60 C +ATOM 5992 CZ3 TRP B 448 26.972 -45.148 -37.517 1.00 69.08 C +ATOM 5993 CH2 TRP B 448 27.991 -44.545 -38.275 1.00 63.96 C +ATOM 5994 H TRP B 448 27.771 -49.897 -32.752 1.00 15.00 H +ATOM 5995 HE1 TRP B 448 31.699 -45.880 -36.895 1.00 15.00 H +ATOM 5996 N VAL B 449 29.418 -50.688 -35.492 1.00106.92 N +ATOM 5997 CA VAL B 449 30.129 -51.498 -36.483 1.00121.27 C +ATOM 5998 C VAL B 449 29.332 -52.686 -37.005 1.00133.13 C +ATOM 5999 O VAL B 449 29.548 -53.125 -38.136 1.00135.76 O +ATOM 6000 CB VAL B 449 31.508 -52.003 -35.975 1.00119.32 C +ATOM 6001 CG1 VAL B 449 32.452 -50.834 -35.752 1.00116.24 C +ATOM 6002 CG2 VAL B 449 31.347 -52.829 -34.707 1.00120.05 C +ATOM 6003 H VAL B 449 29.709 -50.691 -34.552 1.00 15.00 H +ATOM 6004 N GLU B 450 28.427 -53.221 -36.187 1.00145.89 N +ATOM 6005 CA GLU B 450 27.612 -54.357 -36.618 1.00157.66 C +ATOM 6006 C GLU B 450 26.495 -53.896 -37.556 1.00160.76 C +ATOM 6007 O GLU B 450 25.766 -54.716 -38.121 1.00163.97 O +ATOM 6008 CB GLU B 450 27.049 -55.135 -35.415 1.00163.83 C +ATOM 6009 CG GLU B 450 25.955 -54.433 -34.603 1.00171.89 C +ATOM 6010 CD GLU B 450 24.545 -54.684 -35.127 1.00177.15 C +ATOM 6011 OE1 GLU B 450 24.281 -55.782 -35.668 1.00180.26 O +ATOM 6012 OE2 GLU B 450 23.695 -53.780 -34.985 1.00179.72 O +ATOM 6013 H GLU B 450 28.304 -52.860 -35.282 1.00 15.00 H +ATOM 6014 N ARG B 451 26.418 -52.578 -37.746 1.00162.33 N +ATOM 6015 CA ARG B 451 25.430 -51.914 -38.594 1.00161.82 C +ATOM 6016 C ARG B 451 24.023 -52.013 -38.022 1.00153.56 C +ATOM 6017 O ARG B 451 23.478 -53.105 -37.834 1.00155.81 O +ATOM 6018 CB ARG B 451 25.464 -52.430 -40.042 1.00171.99 C +ATOM 6019 CG ARG B 451 25.077 -51.371 -41.088 1.00186.43 C +ATOM 6020 CD ARG B 451 23.611 -50.939 -40.998 1.00197.70 C +ATOM 6021 NE ARG B 451 23.412 -49.543 -41.395 1.00207.57 N +ATOM 6022 CZ ARG B 451 22.235 -48.921 -41.402 1.00212.71 C +ATOM 6023 NH1 ARG B 451 21.133 -49.566 -41.043 1.00214.53 N +ATOM 6024 NH2 ARG B 451 22.156 -47.649 -41.773 1.00214.27 N +ATOM 6025 H ARG B 451 27.040 -51.990 -37.280 1.00 15.00 H +ATOM 6026 HE ARG B 451 24.198 -49.028 -41.671 1.00 15.00 H +ATOM 6027 HH11 ARG B 451 21.181 -50.524 -40.762 1.00 15.00 H +ATOM 6028 HH12 ARG B 451 20.252 -49.092 -41.047 1.00 15.00 H +ATOM 6029 HH21 ARG B 451 22.979 -47.152 -42.048 1.00 15.00 H +ATOM 6030 HH22 ARG B 451 21.269 -47.188 -41.775 1.00 15.00 H +ATOM 6031 N ASN B 452 23.444 -50.852 -37.738 1.00139.11 N +ATOM 6032 CA ASN B 452 22.096 -50.778 -37.197 1.00121.73 C +ATOM 6033 C ASN B 452 21.380 -49.613 -37.863 1.00109.45 C +ATOM 6034 O ASN B 452 22.013 -48.714 -38.422 1.00105.68 O +ATOM 6035 CB ASN B 452 22.132 -50.605 -35.674 1.00121.18 C +ATOM 6036 CG ASN B 452 20.770 -50.829 -35.013 1.00120.89 C +ATOM 6037 OD1 ASN B 452 20.588 -50.493 -33.844 1.00120.33 O +ATOM 6038 ND2 ASN B 452 19.826 -51.430 -35.740 1.00118.60 N +ATOM 6039 H ASN B 452 23.928 -50.015 -37.906 1.00 15.00 H +ATOM 6040 HD21 ASN B 452 18.944 -51.462 -35.312 1.00 15.00 H +ATOM 6041 HD22 ASN B 452 19.980 -51.790 -36.634 1.00 15.00 H +ATOM 6042 N SER B 453 20.058 -49.641 -37.806 1.00 96.05 N +ATOM 6043 CA SER B 453 19.229 -48.623 -38.418 1.00 85.78 C +ATOM 6044 C SER B 453 19.048 -47.335 -37.612 1.00 75.60 C +ATOM 6045 O SER B 453 17.945 -47.033 -37.156 1.00 74.96 O +ATOM 6046 CB SER B 453 17.875 -49.247 -38.766 1.00 92.07 C +ATOM 6047 OG SER B 453 17.654 -50.428 -38.002 1.00 97.57 O +ATOM 6048 H SER B 453 19.547 -50.331 -37.339 1.00 15.00 H +ATOM 6049 HG SER B 453 16.868 -50.910 -38.310 1.00 15.00 H +ATOM 6050 N TYR B 454 20.129 -46.581 -37.433 1.00 63.14 N +ATOM 6051 CA TYR B 454 20.054 -45.314 -36.712 1.00 50.46 C +ATOM 6052 C TYR B 454 19.795 -44.233 -37.738 1.00 46.97 C +ATOM 6053 O TYR B 454 20.533 -44.102 -38.723 1.00 35.23 O +ATOM 6054 CB TYR B 454 21.335 -45.014 -35.945 1.00 46.02 C +ATOM 6055 CG TYR B 454 21.449 -45.829 -34.695 1.00 43.92 C +ATOM 6056 CD1 TYR B 454 20.631 -45.566 -33.601 1.00 47.30 C +ATOM 6057 CD2 TYR B 454 22.325 -46.913 -34.625 1.00 40.54 C +ATOM 6058 CE1 TYR B 454 20.676 -46.369 -32.465 1.00 55.77 C +ATOM 6059 CE2 TYR B 454 22.381 -47.724 -33.498 1.00 47.51 C +ATOM 6060 CZ TYR B 454 21.551 -47.453 -32.418 1.00 56.89 C +ATOM 6061 OH TYR B 454 21.578 -48.275 -31.305 1.00 62.66 O +ATOM 6062 H TYR B 454 20.983 -46.870 -37.818 1.00 15.00 H +ATOM 6063 HH TYR B 454 22.064 -49.079 -31.527 1.00 15.00 H +ATOM 6064 N SER B 455 18.741 -43.461 -37.505 1.00 43.38 N +ATOM 6065 CA SER B 455 18.365 -42.421 -38.433 1.00 36.57 C +ATOM 6066 C SER B 455 17.952 -41.128 -37.749 1.00 32.80 C +ATOM 6067 O SER B 455 17.337 -41.140 -36.676 1.00 29.94 O +ATOM 6068 CB SER B 455 17.218 -42.933 -39.298 1.00 42.88 C +ATOM 6069 OG SER B 455 17.500 -44.236 -39.787 1.00 58.18 O +ATOM 6070 H SER B 455 18.213 -43.579 -36.695 1.00 15.00 H +ATOM 6071 HG SER B 455 17.630 -44.818 -39.033 1.00 15.00 H +ATOM 6072 N CYS B 456 18.349 -40.011 -38.352 1.00 24.30 N +ATOM 6073 CA CYS B 456 17.991 -38.693 -37.839 1.00 21.21 C +ATOM 6074 C CYS B 456 16.665 -38.404 -38.538 1.00 23.21 C +ATOM 6075 O CYS B 456 16.578 -38.489 -39.769 1.00 29.37 O +ATOM 6076 CB CYS B 456 19.042 -37.645 -38.237 1.00 5.32 C +ATOM 6077 SG CYS B 456 18.741 -36.006 -37.506 1.00 19.60 S +ATOM 6078 H CYS B 456 18.845 -40.075 -39.201 1.00 15.00 H +ATOM 6079 N SER B 457 15.631 -38.098 -37.768 1.00 18.86 N +ATOM 6080 CA SER B 457 14.304 -37.846 -38.325 1.00 20.42 C +ATOM 6081 C SER B 457 13.838 -36.424 -38.048 1.00 14.60 C +ATOM 6082 O SER B 457 13.465 -36.123 -36.922 1.00 23.82 O +ATOM 6083 CB SER B 457 13.320 -38.854 -37.711 1.00 17.23 C +ATOM 6084 OG SER B 457 11.966 -38.477 -37.889 1.00 36.90 O +ATOM 6085 H SER B 457 15.749 -38.039 -36.809 1.00 15.00 H +ATOM 6086 HG SER B 457 11.811 -37.750 -37.266 1.00 15.00 H +ATOM 6087 N VAL B 458 13.826 -35.566 -39.068 1.00 16.37 N +ATOM 6088 CA VAL B 458 13.407 -34.171 -38.914 1.00 12.00 C +ATOM 6089 C VAL B 458 12.005 -33.941 -39.431 1.00 17.54 C +ATOM 6090 O VAL B 458 11.569 -34.586 -40.383 1.00 31.16 O +ATOM 6091 CB VAL B 458 14.276 -33.218 -39.730 1.00 12.33 C +ATOM 6092 CG1 VAL B 458 13.896 -31.786 -39.436 1.00 11.71 C +ATOM 6093 CG2 VAL B 458 15.722 -33.448 -39.447 1.00 19.02 C +ATOM 6094 H VAL B 458 14.065 -35.893 -39.960 1.00 15.00 H +ATOM 6095 N VAL B 459 11.331 -32.970 -38.836 1.00 10.14 N +ATOM 6096 CA VAL B 459 9.994 -32.594 -39.224 1.00 6.29 C +ATOM 6097 C VAL B 459 10.003 -31.081 -39.213 1.00 14.05 C +ATOM 6098 O VAL B 459 10.260 -30.470 -38.173 1.00 15.72 O +ATOM 6099 CB VAL B 459 8.997 -33.088 -38.199 1.00 8.17 C +ATOM 6100 CG1 VAL B 459 7.620 -32.547 -38.489 1.00 4.05 C +ATOM 6101 CG2 VAL B 459 8.995 -34.585 -38.200 1.00 9.45 C +ATOM 6102 H VAL B 459 11.723 -32.506 -38.065 1.00 15.00 H +ATOM 6103 N HIS B 460 9.716 -30.479 -40.363 1.00 22.69 N +ATOM 6104 CA HIS B 460 9.719 -29.021 -40.516 1.00 21.87 C +ATOM 6105 C HIS B 460 8.772 -28.663 -41.647 1.00 22.59 C +ATOM 6106 O HIS B 460 8.684 -29.396 -42.639 1.00 21.75 O +ATOM 6107 CB HIS B 460 11.134 -28.568 -40.857 1.00 13.71 C +ATOM 6108 CG HIS B 460 11.280 -27.100 -41.062 1.00 3.49 C +ATOM 6109 ND1 HIS B 460 11.298 -26.203 -40.020 1.00 14.86 N +ATOM 6110 CD2 HIS B 460 11.519 -26.380 -42.181 1.00 15.13 C +ATOM 6111 CE1 HIS B 460 11.555 -24.992 -40.486 1.00 9.86 C +ATOM 6112 NE2 HIS B 460 11.693 -25.072 -41.794 1.00 16.22 N +ATOM 6113 H HIS B 460 9.461 -31.033 -41.136 1.00 15.00 H +ATOM 6114 HD1 HIS B 460 11.175 -26.331 -39.046 1.00 15.00 H +ATOM 6115 HE2 HIS B 460 11.916 -24.307 -42.382 1.00 15.00 H +ATOM 6116 N GLU B 461 8.107 -27.517 -41.526 1.00 22.82 N +ATOM 6117 CA GLU B 461 7.132 -27.106 -42.534 1.00 24.07 C +ATOM 6118 C GLU B 461 7.617 -26.988 -43.972 1.00 18.12 C +ATOM 6119 O GLU B 461 6.884 -27.312 -44.897 1.00 15.84 O +ATOM 6120 CB GLU B 461 6.388 -25.843 -42.105 1.00 24.51 C +ATOM 6121 CG GLU B 461 7.241 -24.615 -41.911 1.00 30.70 C +ATOM 6122 CD GLU B 461 6.456 -23.473 -41.282 1.00 27.64 C +ATOM 6123 OE1 GLU B 461 5.656 -22.831 -41.999 1.00 22.15 O +ATOM 6124 OE2 GLU B 461 6.625 -23.232 -40.065 1.00 33.77 O +ATOM 6125 H GLU B 461 8.228 -26.970 -40.724 1.00 15.00 H +ATOM 6126 N GLY B 462 8.861 -26.584 -44.162 1.00 16.64 N +ATOM 6127 CA GLY B 462 9.376 -26.456 -45.513 1.00 16.48 C +ATOM 6128 C GLY B 462 9.758 -27.747 -46.219 1.00 16.35 C +ATOM 6129 O GLY B 462 10.226 -27.728 -47.357 1.00 26.88 O +ATOM 6130 H GLY B 462 9.420 -26.359 -43.410 1.00 15.00 H +ATOM 6131 N LEU B 463 9.574 -28.881 -45.572 1.00 6.78 N +ATOM 6132 CA LEU B 463 9.949 -30.120 -46.224 1.00 13.39 C +ATOM 6133 C LEU B 463 8.759 -30.718 -46.930 1.00 15.25 C +ATOM 6134 O LEU B 463 7.630 -30.574 -46.470 1.00 10.07 O +ATOM 6135 CB LEU B 463 10.458 -31.124 -45.195 1.00 21.79 C +ATOM 6136 CG LEU B 463 11.800 -30.897 -44.502 1.00 14.45 C +ATOM 6137 CD1 LEU B 463 11.819 -31.755 -43.259 1.00 34.09 C +ATOM 6138 CD2 LEU B 463 12.967 -31.247 -45.416 1.00 11.39 C +ATOM 6139 H LEU B 463 9.149 -28.911 -44.694 1.00 15.00 H +ATOM 6140 N HIS B 464 9.005 -31.417 -48.031 1.00 11.96 N +ATOM 6141 CA HIS B 464 7.914 -32.072 -48.744 1.00 14.06 C +ATOM 6142 C HIS B 464 7.314 -33.124 -47.811 1.00 13.38 C +ATOM 6143 O HIS B 464 7.994 -34.058 -47.384 1.00 25.24 O +ATOM 6144 CB HIS B 464 8.415 -32.725 -50.023 1.00 15.81 C +ATOM 6145 CG HIS B 464 8.860 -31.745 -51.056 1.00 24.01 C +ATOM 6146 ND1 HIS B 464 8.185 -30.568 -51.298 1.00 20.30 N +ATOM 6147 CD2 HIS B 464 9.920 -31.756 -51.900 1.00 25.61 C +ATOM 6148 CE1 HIS B 464 8.812 -29.895 -52.247 1.00 26.04 C +ATOM 6149 NE2 HIS B 464 9.867 -30.594 -52.629 1.00 18.36 N +ATOM 6150 H HIS B 464 9.931 -31.513 -48.321 1.00 15.00 H +ATOM 6151 HD1 HIS B 464 7.338 -30.264 -50.882 1.00 15.00 H +ATOM 6152 HE2 HIS B 464 10.464 -30.353 -53.380 1.00 15.00 H +ATOM 6153 N ASN B 465 6.045 -32.931 -47.478 1.00 14.23 N +ATOM 6154 CA ASN B 465 5.301 -33.792 -46.565 1.00 11.88 C +ATOM 6155 C ASN B 465 5.742 -33.544 -45.129 1.00 19.28 C +ATOM 6156 O ASN B 465 5.380 -34.278 -44.211 1.00 22.57 O +ATOM 6157 CB ASN B 465 5.405 -35.258 -46.944 1.00 9.55 C +ATOM 6158 CG ASN B 465 4.620 -35.582 -48.192 1.00 11.98 C +ATOM 6159 OD1 ASN B 465 5.051 -35.286 -49.296 1.00 19.47 O +ATOM 6160 ND2 ASN B 465 3.450 -36.169 -48.022 1.00 24.65 N +ATOM 6161 H ASN B 465 5.578 -32.165 -47.875 1.00 15.00 H +ATOM 6162 HD21 ASN B 465 2.964 -36.392 -48.848 1.00 15.00 H +ATOM 6163 HD22 ASN B 465 3.127 -36.365 -47.124 1.00 15.00 H +ATOM 6164 N HIS B 466 6.500 -32.464 -44.949 1.00 22.49 N +ATOM 6165 CA HIS B 466 6.985 -32.039 -43.643 1.00 24.91 C +ATOM 6166 C HIS B 466 7.750 -33.112 -42.892 1.00 20.72 C +ATOM 6167 O HIS B 466 7.804 -33.083 -41.671 1.00 23.04 O +ATOM 6168 CB HIS B 466 5.787 -31.582 -42.815 1.00 32.14 C +ATOM 6169 CG HIS B 466 4.975 -30.508 -43.478 1.00 41.53 C +ATOM 6170 ND1 HIS B 466 3.682 -30.210 -43.104 1.00 40.71 N +ATOM 6171 CD2 HIS B 466 5.293 -29.632 -44.459 1.00 38.56 C +ATOM 6172 CE1 HIS B 466 3.243 -29.190 -43.819 1.00 39.60 C +ATOM 6173 NE2 HIS B 466 4.202 -28.819 -44.648 1.00 39.77 N +ATOM 6174 H HIS B 466 6.719 -31.938 -45.731 1.00 15.00 H +ATOM 6175 HD1 HIS B 466 3.159 -30.704 -42.429 1.00 15.00 H +ATOM 6176 HE2 HIS B 466 4.186 -28.072 -45.289 1.00 15.00 H +ATOM 6177 N HIS B 467 8.419 -34.003 -43.610 1.00 19.41 N +ATOM 6178 CA HIS B 467 9.119 -35.081 -42.946 1.00 25.51 C +ATOM 6179 C HIS B 467 10.209 -35.767 -43.746 1.00 26.65 C +ATOM 6180 O HIS B 467 9.908 -36.537 -44.655 1.00 33.84 O +ATOM 6181 CB HIS B 467 8.096 -36.136 -42.520 1.00 26.57 C +ATOM 6182 CG HIS B 467 8.712 -37.401 -42.011 1.00 32.44 C +ATOM 6183 ND1 HIS B 467 9.671 -37.417 -41.021 1.00 27.20 N +ATOM 6184 CD2 HIS B 467 8.502 -38.695 -42.352 1.00 33.68 C +ATOM 6185 CE1 HIS B 467 10.023 -38.665 -40.770 1.00 33.14 C +ATOM 6186 NE2 HIS B 467 9.329 -39.460 -41.565 1.00 33.93 N +ATOM 6187 H HIS B 467 8.447 -33.955 -44.589 1.00 15.00 H +ATOM 6188 HD1 HIS B 467 10.070 -36.643 -40.559 1.00 15.00 H +ATOM 6189 HE2 HIS B 467 9.454 -40.433 -41.620 1.00 15.00 H +ATOM 6190 N THR B 468 11.465 -35.545 -43.376 1.00 23.08 N +ATOM 6191 CA THR B 468 12.563 -36.212 -44.069 1.00 27.91 C +ATOM 6192 C THR B 468 13.244 -37.188 -43.102 1.00 29.83 C +ATOM 6193 O THR B 468 13.053 -37.096 -41.887 1.00 33.26 O +ATOM 6194 CB THR B 468 13.571 -35.232 -44.655 1.00 19.66 C +ATOM 6195 OG1 THR B 468 14.538 -35.959 -45.415 1.00 27.48 O +ATOM 6196 CG2 THR B 468 14.265 -34.476 -43.569 1.00 28.47 C +ATOM 6197 H THR B 468 11.678 -34.971 -42.611 1.00 15.00 H +ATOM 6198 HG1 THR B 468 14.002 -36.345 -46.125 1.00 15.00 H +ATOM 6199 N THR B 469 14.015 -38.126 -43.640 1.00 29.17 N +ATOM 6200 CA THR B 469 14.683 -39.143 -42.829 1.00 30.42 C +ATOM 6201 C THR B 469 16.008 -39.549 -43.466 1.00 31.40 C +ATOM 6202 O THR B 469 16.023 -40.238 -44.483 1.00 32.74 O +ATOM 6203 CB THR B 469 13.759 -40.379 -42.678 1.00 34.44 C +ATOM 6204 OG1 THR B 469 12.620 -40.016 -41.885 1.00 38.14 O +ATOM 6205 CG2 THR B 469 14.475 -41.552 -42.022 1.00 32.06 C +ATOM 6206 H THR B 469 14.156 -38.144 -44.609 1.00 15.00 H +ATOM 6207 HG1 THR B 469 12.981 -39.524 -41.133 1.00 15.00 H +ATOM 6208 N LYS B 470 17.108 -39.108 -42.855 1.00 34.56 N +ATOM 6209 CA LYS B 470 18.465 -39.375 -43.335 1.00 37.00 C +ATOM 6210 C LYS B 470 19.120 -40.497 -42.536 1.00 37.49 C +ATOM 6211 O LYS B 470 18.883 -40.619 -41.333 1.00 42.98 O +ATOM 6212 CB LYS B 470 19.310 -38.111 -43.201 1.00 36.23 C +ATOM 6213 CG LYS B 470 20.460 -38.027 -44.181 1.00 57.69 C +ATOM 6214 CD LYS B 470 19.946 -37.760 -45.592 1.00 73.60 C +ATOM 6215 CE LYS B 470 21.074 -37.763 -46.614 1.00 81.85 C +ATOM 6216 NZ LYS B 470 21.682 -39.117 -46.777 1.00 88.79 N +ATOM 6217 H LYS B 470 17.012 -38.605 -42.017 1.00 15.00 H +ATOM 6218 HZ1 LYS B 470 22.048 -39.451 -45.862 1.00 15.00 H +ATOM 6219 HZ2 LYS B 470 20.964 -39.780 -47.130 1.00 15.00 H +ATOM 6220 HZ3 LYS B 470 22.465 -39.065 -47.460 1.00 15.00 H +ATOM 6221 N SER B 471 19.952 -41.301 -43.189 1.00 39.12 N +ATOM 6222 CA SER B 471 20.628 -42.399 -42.506 1.00 49.42 C +ATOM 6223 C SER B 471 21.995 -42.672 -43.111 1.00 55.16 C +ATOM 6224 O SER B 471 22.427 -41.977 -44.031 1.00 56.48 O +ATOM 6225 CB SER B 471 19.779 -43.670 -42.545 1.00 48.81 C +ATOM 6226 OG SER B 471 19.721 -44.194 -43.857 1.00 51.53 O +ATOM 6227 H SER B 471 20.141 -41.195 -44.143 1.00 15.00 H +ATOM 6228 HG SER B 471 19.177 -44.987 -43.833 1.00 15.00 H +ATOM 6229 N PHE B 472 22.668 -43.694 -42.592 1.00 67.21 N +ATOM 6230 CA PHE B 472 23.998 -44.068 -43.055 1.00 75.40 C +ATOM 6231 C PHE B 472 23.968 -45.174 -44.108 1.00 87.65 C +ATOM 6232 O PHE B 472 23.504 -46.280 -43.834 1.00 84.10 O +ATOM 6233 CB PHE B 472 24.845 -44.522 -41.863 1.00 69.29 C +ATOM 6234 CG PHE B 472 25.037 -43.461 -40.807 1.00 63.75 C +ATOM 6235 CD1 PHE B 472 26.064 -42.525 -40.916 1.00 56.57 C +ATOM 6236 CD2 PHE B 472 24.194 -43.398 -39.703 1.00 60.06 C +ATOM 6237 CE1 PHE B 472 26.250 -41.546 -39.943 1.00 47.49 C +ATOM 6238 CE2 PHE B 472 24.375 -42.419 -38.723 1.00 52.92 C +ATOM 6239 CZ PHE B 472 25.405 -41.493 -38.847 1.00 48.38 C +ATOM 6240 H PHE B 472 22.259 -44.233 -41.885 1.00 15.00 H +ATOM 6241 N SER B 473 24.427 -44.864 -45.319 1.00107.43 N +ATOM 6242 CA SER B 473 24.485 -45.855 -46.395 1.00128.21 C +ATOM 6243 C SER B 473 25.605 -46.814 -45.994 1.00140.18 C +ATOM 6244 O SER B 473 26.759 -46.639 -46.399 1.00144.22 O +ATOM 6245 CB SER B 473 24.829 -45.186 -47.736 1.00130.57 C +ATOM 6246 OG SER B 473 23.861 -44.218 -48.115 1.00136.83 O +ATOM 6247 H SER B 473 24.705 -43.949 -45.520 1.00 15.00 H +ATOM 6248 HG SER B 473 24.080 -43.853 -48.977 1.00 15.00 H +ATOM 6249 N ARG B 474 25.263 -47.795 -45.166 1.00151.09 N +ATOM 6250 CA ARG B 474 26.232 -48.760 -44.661 1.00160.66 C +ATOM 6251 C ARG B 474 25.777 -50.181 -44.982 1.00162.53 C +ATOM 6252 O ARG B 474 26.645 -51.017 -45.310 1.00163.80 O +ATOM 6253 CB ARG B 474 26.373 -48.572 -43.143 1.00165.41 C +ATOM 6254 CG ARG B 474 27.720 -48.957 -42.546 1.00170.73 C +ATOM 6255 CD ARG B 474 27.819 -48.479 -41.097 1.00170.85 C +ATOM 6256 NE ARG B 474 29.146 -48.703 -40.531 1.00170.35 N +ATOM 6257 CZ ARG B 474 29.490 -49.779 -39.832 1.00170.09 C +ATOM 6258 NH1 ARG B 474 28.606 -50.740 -39.603 1.00169.56 N +ATOM 6259 NH2 ARG B 474 30.728 -49.903 -39.376 1.00172.37 N +ATOM 6260 OXT ARG B 474 24.555 -50.437 -44.916 1.00166.46 O +ATOM 6261 H ARG B 474 24.334 -47.929 -44.881 1.00 15.00 H +ATOM 6262 HE ARG B 474 29.829 -48.018 -40.678 1.00 15.00 H +ATOM 6263 HH11 ARG B 474 27.674 -50.667 -39.955 1.00 15.00 H +ATOM 6264 HH12 ARG B 474 28.875 -51.546 -39.078 1.00 15.00 H +ATOM 6265 HH21 ARG B 474 31.399 -49.185 -39.558 1.00 15.00 H +ATOM 6266 HH22 ARG B 474 30.990 -50.712 -38.850 1.00 15.00 H +TER 6267 ARG B 474 +ATOM 6268 N ASP C 1 -33.532 53.785 7.755 1.00 86.90 N +ATOM 6269 CA ASP C 1 -33.648 52.405 7.203 1.00 84.62 C +ATOM 6270 C ASP C 1 -34.965 51.840 7.740 1.00 80.02 C +ATOM 6271 O ASP C 1 -35.409 52.249 8.814 1.00 80.82 O +ATOM 6272 CB ASP C 1 -32.462 51.551 7.673 1.00 87.95 C +ATOM 6273 CG ASP C 1 -31.118 52.228 7.434 1.00 92.94 C +ATOM 6274 OD1 ASP C 1 -30.744 53.098 8.252 1.00 97.56 O +ATOM 6275 OD2 ASP C 1 -30.437 51.894 6.437 1.00 91.03 O +ATOM 6276 H1 ASP C 1 -33.621 53.668 8.788 1.00 15.00 H +ATOM 6277 H2 ASP C 1 -32.646 54.244 7.484 1.00 15.00 H +ATOM 6278 H3 ASP C 1 -34.357 54.331 7.442 1.00 15.00 H +ATOM 6279 N ILE C 2 -35.613 50.958 6.982 1.00 69.74 N +ATOM 6280 CA ILE C 2 -36.877 50.376 7.423 1.00 57.60 C +ATOM 6281 C ILE C 2 -36.599 49.105 8.198 1.00 52.04 C +ATOM 6282 O ILE C 2 -35.886 48.233 7.723 1.00 43.28 O +ATOM 6283 CB ILE C 2 -37.793 50.055 6.247 1.00 56.01 C +ATOM 6284 CG1 ILE C 2 -38.004 51.308 5.396 1.00 58.63 C +ATOM 6285 CG2 ILE C 2 -39.129 49.571 6.766 1.00 54.53 C +ATOM 6286 CD1 ILE C 2 -38.844 51.081 4.156 1.00 60.36 C +ATOM 6287 H ILE C 2 -35.243 50.626 6.136 1.00 15.00 H +ATOM 6288 N VAL C 3 -37.158 49.001 9.394 1.00 50.66 N +ATOM 6289 CA VAL C 3 -36.918 47.828 10.225 1.00 60.94 C +ATOM 6290 C VAL C 3 -38.082 46.836 10.249 1.00 57.67 C +ATOM 6291 O VAL C 3 -39.245 47.228 10.358 1.00 61.53 O +ATOM 6292 CB VAL C 3 -36.505 48.238 11.671 1.00 69.60 C +ATOM 6293 CG1 VAL C 3 -35.001 48.501 11.743 1.00 72.72 C +ATOM 6294 CG2 VAL C 3 -37.253 49.489 12.105 1.00 69.13 C +ATOM 6295 H VAL C 3 -37.778 49.686 9.697 1.00 15.00 H +ATOM 6296 N LEU C 4 -37.763 45.551 10.122 1.00 50.97 N +ATOM 6297 CA LEU C 4 -38.783 44.508 10.117 1.00 51.76 C +ATOM 6298 C LEU C 4 -38.714 43.605 11.344 1.00 56.23 C +ATOM 6299 O LEU C 4 -37.661 43.043 11.661 1.00 62.17 O +ATOM 6300 CB LEU C 4 -38.684 43.670 8.839 1.00 44.52 C +ATOM 6301 CG LEU C 4 -39.204 44.287 7.536 1.00 31.63 C +ATOM 6302 CD1 LEU C 4 -40.702 44.307 7.522 1.00 26.13 C +ATOM 6303 CD2 LEU C 4 -38.665 45.682 7.353 1.00 29.46 C +ATOM 6304 H LEU C 4 -36.830 45.265 10.051 1.00 15.00 H +ATOM 6305 N THR C 5 -39.846 43.468 12.027 1.00 57.48 N +ATOM 6306 CA THR C 5 -39.937 42.641 13.221 1.00 61.21 C +ATOM 6307 C THR C 5 -40.772 41.390 12.971 1.00 58.02 C +ATOM 6308 O THR C 5 -41.924 41.477 12.536 1.00 61.32 O +ATOM 6309 CB THR C 5 -40.574 43.427 14.385 1.00 64.98 C +ATOM 6310 OG1 THR C 5 -39.793 44.596 14.664 1.00 67.67 O +ATOM 6311 CG2 THR C 5 -40.658 42.561 15.638 1.00 72.41 C +ATOM 6312 H THR C 5 -40.637 43.934 11.706 1.00 15.00 H +ATOM 6313 HG1 THR C 5 -39.738 45.157 13.885 1.00 15.00 H +ATOM 6314 N GLN C 6 -40.183 40.230 13.233 1.00 53.89 N +ATOM 6315 CA GLN C 6 -40.882 38.966 13.062 1.00 52.54 C +ATOM 6316 C GLN C 6 -41.250 38.411 14.431 1.00 58.58 C +ATOM 6317 O GLN C 6 -40.505 38.575 15.398 1.00 64.69 O +ATOM 6318 CB GLN C 6 -40.024 37.946 12.303 1.00 45.56 C +ATOM 6319 CG GLN C 6 -40.026 38.125 10.793 1.00 37.80 C +ATOM 6320 CD GLN C 6 -39.678 36.851 10.049 1.00 29.63 C +ATOM 6321 OE1 GLN C 6 -38.694 36.798 9.318 1.00 33.40 O +ATOM 6322 NE2 GLN C 6 -40.493 35.827 10.218 1.00 23.20 N +ATOM 6323 H GLN C 6 -39.278 40.213 13.600 1.00 15.00 H +ATOM 6324 HE21 GLN C 6 -40.258 34.987 9.767 1.00 15.00 H +ATOM 6325 HE22 GLN C 6 -41.280 35.915 10.791 1.00 15.00 H +ATOM 6326 N SER C 7 -42.402 37.756 14.499 1.00 59.99 N +ATOM 6327 CA SER C 7 -42.903 37.163 15.732 1.00 56.53 C +ATOM 6328 C SER C 7 -43.805 35.986 15.361 1.00 56.76 C +ATOM 6329 O SER C 7 -44.664 36.121 14.483 1.00 53.07 O +ATOM 6330 CB SER C 7 -43.690 38.211 16.540 1.00 63.94 C +ATOM 6331 OG SER C 7 -44.664 38.893 15.753 1.00 58.78 O +ATOM 6332 H SER C 7 -42.949 37.639 13.696 1.00 15.00 H +ATOM 6333 HG SER C 7 -45.307 38.228 15.477 1.00 15.00 H +ATOM 6334 N PRO C 8 -43.583 34.800 15.962 1.00 57.48 N +ATOM 6335 CA PRO C 8 -42.567 34.433 16.959 1.00 54.71 C +ATOM 6336 C PRO C 8 -41.190 34.182 16.345 1.00 48.44 C +ATOM 6337 O PRO C 8 -41.057 34.047 15.131 1.00 45.09 O +ATOM 6338 CB PRO C 8 -43.128 33.139 17.541 1.00 62.74 C +ATOM 6339 CG PRO C 8 -43.762 32.500 16.341 1.00 60.88 C +ATOM 6340 CD PRO C 8 -44.509 33.672 15.734 1.00 57.43 C +ATOM 6341 N SER C 9 -40.179 34.103 17.200 1.00 39.09 N +ATOM 6342 CA SER C 9 -38.817 33.864 16.763 1.00 36.48 C +ATOM 6343 C SER C 9 -38.623 32.377 16.565 1.00 32.60 C +ATOM 6344 O SER C 9 -37.662 31.930 15.953 1.00 35.64 O +ATOM 6345 CB SER C 9 -37.845 34.385 17.822 1.00 48.33 C +ATOM 6346 OG SER C 9 -38.284 34.036 19.129 1.00 59.52 O +ATOM 6347 H SER C 9 -40.299 34.202 18.168 1.00 15.00 H +ATOM 6348 HG SER C 9 -38.136 33.092 19.283 1.00 15.00 H +ATOM 6349 N SER C 10 -39.565 31.607 17.070 1.00 39.25 N +ATOM 6350 CA SER C 10 -39.478 30.169 16.969 1.00 49.44 C +ATOM 6351 C SER C 10 -40.868 29.581 17.055 1.00 48.31 C +ATOM 6352 O SER C 10 -41.749 30.129 17.726 1.00 47.72 O +ATOM 6353 CB SER C 10 -38.599 29.636 18.104 1.00 59.53 C +ATOM 6354 OG SER C 10 -38.790 30.383 19.302 1.00 75.09 O +ATOM 6355 H SER C 10 -40.349 31.948 17.543 1.00 15.00 H +ATOM 6356 HG SER C 10 -38.301 29.955 20.013 1.00 15.00 H +ATOM 6357 N LEU C 11 -41.072 28.479 16.354 1.00 41.17 N +ATOM 6358 CA LEU C 11 -42.364 27.847 16.369 1.00 44.66 C +ATOM 6359 C LEU C 11 -42.238 26.345 16.156 1.00 53.13 C +ATOM 6360 O LEU C 11 -41.422 25.870 15.354 1.00 49.93 O +ATOM 6361 CB LEU C 11 -43.265 28.493 15.314 1.00 43.47 C +ATOM 6362 CG LEU C 11 -44.736 28.695 15.684 1.00 52.32 C +ATOM 6363 CD1 LEU C 11 -45.580 27.527 15.199 1.00 45.16 C +ATOM 6364 CD2 LEU C 11 -44.879 28.911 17.197 1.00 48.90 C +ATOM 6365 H LEU C 11 -40.377 28.084 15.783 1.00 15.00 H +ATOM 6366 N SER C 12 -42.993 25.608 16.963 1.00 56.27 N +ATOM 6367 CA SER C 12 -43.041 24.153 16.920 1.00 51.13 C +ATOM 6368 C SER C 12 -44.545 23.912 16.801 1.00 49.71 C +ATOM 6369 O SER C 12 -45.340 24.500 17.549 1.00 49.64 O +ATOM 6370 CB SER C 12 -42.492 23.565 18.237 1.00 51.02 C +ATOM 6371 OG SER C 12 -42.012 22.234 18.093 1.00 27.13 O +ATOM 6372 H SER C 12 -43.591 26.042 17.607 1.00 15.00 H +ATOM 6373 HG SER C 12 -41.699 21.879 18.931 1.00 15.00 H +ATOM 6374 N ALA C 13 -44.949 23.134 15.811 1.00 41.57 N +ATOM 6375 CA ALA C 13 -46.359 22.876 15.629 1.00 42.61 C +ATOM 6376 C ALA C 13 -46.571 21.520 14.997 1.00 52.56 C +ATOM 6377 O ALA C 13 -45.756 21.046 14.196 1.00 52.62 O +ATOM 6378 CB ALA C 13 -47.004 23.966 14.794 1.00 51.21 C +ATOM 6379 H ALA C 13 -44.305 22.723 15.191 1.00 15.00 H +ATOM 6380 N SER C 14 -47.684 20.905 15.379 1.00 58.10 N +ATOM 6381 CA SER C 14 -48.078 19.579 14.926 1.00 51.57 C +ATOM 6382 C SER C 14 -48.416 19.501 13.437 1.00 47.27 C +ATOM 6383 O SER C 14 -49.268 20.239 12.935 1.00 44.50 O +ATOM 6384 CB SER C 14 -49.267 19.112 15.769 1.00 49.60 C +ATOM 6385 OG SER C 14 -49.459 19.979 16.883 1.00 42.21 O +ATOM 6386 H SER C 14 -48.297 21.351 16.000 1.00 15.00 H +ATOM 6387 HG SER C 14 -50.163 19.596 17.416 1.00 15.00 H +ATOM 6388 N LEU C 15 -47.731 18.603 12.743 1.00 39.64 N +ATOM 6389 CA LEU C 15 -47.938 18.380 11.321 1.00 38.72 C +ATOM 6390 C LEU C 15 -49.424 18.471 10.972 1.00 40.61 C +ATOM 6391 O LEU C 15 -50.261 17.890 11.656 1.00 37.53 O +ATOM 6392 CB LEU C 15 -47.376 17.002 10.952 1.00 36.01 C +ATOM 6393 CG LEU C 15 -47.476 16.444 9.535 1.00 40.66 C +ATOM 6394 CD1 LEU C 15 -46.379 15.411 9.322 1.00 47.34 C +ATOM 6395 CD2 LEU C 15 -48.846 15.828 9.306 1.00 42.27 C +ATOM 6396 H LEU C 15 -47.067 18.064 13.216 1.00 15.00 H +ATOM 6397 N GLY C 16 -49.743 19.237 9.933 1.00 48.63 N +ATOM 6398 CA GLY C 16 -51.123 19.393 9.506 1.00 50.50 C +ATOM 6399 C GLY C 16 -51.755 20.698 9.950 1.00 54.93 C +ATOM 6400 O GLY C 16 -52.703 21.184 9.329 1.00 57.84 O +ATOM 6401 H GLY C 16 -49.039 19.688 9.429 1.00 15.00 H +ATOM 6402 N ASP C 17 -51.237 21.266 11.032 1.00 53.47 N +ATOM 6403 CA ASP C 17 -51.757 22.521 11.552 1.00 55.73 C +ATOM 6404 C ASP C 17 -51.620 23.655 10.529 1.00 54.83 C +ATOM 6405 O ASP C 17 -51.097 23.461 9.426 1.00 47.22 O +ATOM 6406 CB ASP C 17 -51.029 22.901 12.852 1.00 65.47 C +ATOM 6407 CG ASP C 17 -51.213 21.874 13.969 1.00 69.56 C +ATOM 6408 OD1 ASP C 17 -51.882 20.838 13.754 1.00 72.85 O +ATOM 6409 OD2 ASP C 17 -50.663 22.102 15.069 1.00 68.86 O +ATOM 6410 H ASP C 17 -50.508 20.818 11.507 1.00 15.00 H +ATOM 6411 N THR C 18 -52.046 24.845 10.943 1.00 54.10 N +ATOM 6412 CA THR C 18 -52.002 26.043 10.122 1.00 58.44 C +ATOM 6413 C THR C 18 -51.194 27.131 10.830 1.00 63.51 C +ATOM 6414 O THR C 18 -51.520 27.530 11.952 1.00 68.69 O +ATOM 6415 CB THR C 18 -53.420 26.557 9.871 1.00 57.25 C +ATOM 6416 OG1 THR C 18 -54.191 25.516 9.259 1.00 65.85 O +ATOM 6417 CG2 THR C 18 -53.404 27.776 8.973 1.00 59.98 C +ATOM 6418 H THR C 18 -52.422 24.947 11.837 1.00 15.00 H +ATOM 6419 HG1 THR C 18 -53.640 25.033 8.618 1.00 15.00 H +ATOM 6420 N ILE C 19 -50.154 27.623 10.162 1.00 65.38 N +ATOM 6421 CA ILE C 19 -49.291 28.652 10.734 1.00 62.96 C +ATOM 6422 C ILE C 19 -49.562 30.069 10.250 1.00 61.32 C +ATOM 6423 O ILE C 19 -49.751 30.316 9.062 1.00 57.58 O +ATOM 6424 CB ILE C 19 -47.806 28.345 10.466 1.00 65.54 C +ATOM 6425 CG1 ILE C 19 -47.444 26.976 11.041 1.00 67.77 C +ATOM 6426 CG2 ILE C 19 -46.922 29.441 11.053 1.00 63.57 C +ATOM 6427 CD1 ILE C 19 -47.881 26.781 12.485 1.00 79.53 C +ATOM 6428 H ILE C 19 -49.998 27.279 9.254 1.00 15.00 H +ATOM 6429 N THR C 20 -49.558 31.001 11.187 1.00 61.54 N +ATOM 6430 CA THR C 20 -49.758 32.394 10.860 1.00 64.15 C +ATOM 6431 C THR C 20 -48.571 33.128 11.441 1.00 61.86 C +ATOM 6432 O THR C 20 -48.568 33.526 12.610 1.00 64.60 O +ATOM 6433 CB THR C 20 -51.084 32.944 11.424 1.00 69.71 C +ATOM 6434 OG1 THR C 20 -52.169 32.452 10.629 1.00 80.97 O +ATOM 6435 CG2 THR C 20 -51.104 34.467 11.402 1.00 74.91 C +ATOM 6436 H THR C 20 -49.436 30.767 12.129 1.00 15.00 H +ATOM 6437 HG1 THR C 20 -52.052 32.688 9.699 1.00 15.00 H +ATOM 6438 N ILE C 21 -47.510 33.167 10.648 1.00 53.76 N +ATOM 6439 CA ILE C 21 -46.293 33.859 11.034 1.00 43.70 C +ATOM 6440 C ILE C 21 -46.445 35.296 10.541 1.00 42.21 C +ATOM 6441 O ILE C 21 -47.004 35.531 9.463 1.00 38.06 O +ATOM 6442 CB ILE C 21 -45.029 33.170 10.457 1.00 29.97 C +ATOM 6443 CG1 ILE C 21 -43.876 34.160 10.365 1.00 21.01 C +ATOM 6444 CG2 ILE C 21 -45.323 32.505 9.127 1.00 21.73 C +ATOM 6445 CD1 ILE C 21 -42.676 33.587 9.669 1.00 37.15 C +ATOM 6446 H ILE C 21 -47.605 32.767 9.758 1.00 15.00 H +ATOM 6447 N THR C 22 -45.991 36.251 11.350 1.00 40.75 N +ATOM 6448 CA THR C 22 -46.114 37.662 11.011 1.00 41.01 C +ATOM 6449 C THR C 22 -44.792 38.342 10.672 1.00 43.93 C +ATOM 6450 O THR C 22 -43.716 37.756 10.805 1.00 52.35 O +ATOM 6451 CB THR C 22 -46.771 38.444 12.162 1.00 40.57 C +ATOM 6452 OG1 THR C 22 -47.722 37.607 12.827 1.00 56.28 O +ATOM 6453 CG2 THR C 22 -47.523 39.644 11.622 1.00 55.04 C +ATOM 6454 H THR C 22 -45.538 36.001 12.181 1.00 15.00 H +ATOM 6455 HG1 THR C 22 -47.311 36.782 13.105 1.00 15.00 H +ATOM 6456 N CYS C 23 -44.900 39.586 10.226 1.00 41.87 N +ATOM 6457 CA CYS C 23 -43.766 40.417 9.866 1.00 33.25 C +ATOM 6458 C CYS C 23 -44.301 41.830 9.938 1.00 33.50 C +ATOM 6459 O CYS C 23 -45.404 42.109 9.452 1.00 35.12 O +ATOM 6460 CB CYS C 23 -43.337 40.124 8.446 1.00 31.92 C +ATOM 6461 SG CYS C 23 -41.776 40.920 7.998 1.00 25.79 S +ATOM 6462 H CYS C 23 -45.781 39.967 10.033 1.00 15.00 H +ATOM 6463 N HIS C 24 -43.549 42.718 10.569 1.00 34.18 N +ATOM 6464 CA HIS C 24 -43.995 44.091 10.717 1.00 46.51 C +ATOM 6465 C HIS C 24 -42.892 45.044 10.325 1.00 48.15 C +ATOM 6466 O HIS C 24 -41.716 44.703 10.424 1.00 54.15 O +ATOM 6467 CB HIS C 24 -44.416 44.351 12.163 1.00 61.93 C +ATOM 6468 CG HIS C 24 -45.455 43.399 12.673 1.00 82.66 C +ATOM 6469 ND1 HIS C 24 -45.137 42.260 13.382 1.00 90.19 N +ATOM 6470 CD2 HIS C 24 -46.807 43.420 12.583 1.00 87.87 C +ATOM 6471 CE1 HIS C 24 -46.247 41.623 13.713 1.00 89.98 C +ATOM 6472 NE2 HIS C 24 -47.275 42.306 13.238 1.00 88.72 N +ATOM 6473 H HIS C 24 -42.656 42.461 10.897 1.00 15.00 H +ATOM 6474 HD1 HIS C 24 -44.232 41.946 13.616 1.00 15.00 H +ATOM 6475 HE2 HIS C 24 -48.222 42.060 13.334 1.00 15.00 H +ATOM 6476 N ALA C 25 -43.273 46.241 9.894 1.00 43.19 N +ATOM 6477 CA ALA C 25 -42.305 47.247 9.486 1.00 37.81 C +ATOM 6478 C ALA C 25 -42.480 48.501 10.320 1.00 42.08 C +ATOM 6479 O ALA C 25 -43.461 48.632 11.055 1.00 48.98 O +ATOM 6480 CB ALA C 25 -42.468 47.567 8.016 1.00 27.86 C +ATOM 6481 H ALA C 25 -44.214 46.506 9.884 1.00 15.00 H +ATOM 6482 N SER C 26 -41.525 49.416 10.202 1.00 44.74 N +ATOM 6483 CA SER C 26 -41.545 50.671 10.937 1.00 47.73 C +ATOM 6484 C SER C 26 -42.282 51.796 10.210 1.00 59.40 C +ATOM 6485 O SER C 26 -42.730 52.767 10.836 1.00 61.54 O +ATOM 6486 CB SER C 26 -40.115 51.103 11.232 1.00 40.64 C +ATOM 6487 OG SER C 26 -39.250 50.785 10.153 1.00 40.99 O +ATOM 6488 H SER C 26 -40.748 49.241 9.632 1.00 15.00 H +ATOM 6489 HG SER C 26 -38.450 51.293 10.349 1.00 15.00 H +ATOM 6490 N GLN C 27 -42.388 51.671 8.891 1.00 62.56 N +ATOM 6491 CA GLN C 27 -43.051 52.678 8.074 1.00 69.79 C +ATOM 6492 C GLN C 27 -43.935 51.970 7.058 1.00 68.25 C +ATOM 6493 O GLN C 27 -43.861 50.754 6.910 1.00 73.95 O +ATOM 6494 CB GLN C 27 -42.007 53.537 7.350 1.00 78.18 C +ATOM 6495 CG GLN C 27 -42.572 54.753 6.620 1.00 95.41 C +ATOM 6496 CD GLN C 27 -41.580 55.377 5.650 1.00104.38 C +ATOM 6497 OE1 GLN C 27 -41.744 55.280 4.433 1.00108.19 O +ATOM 6498 NE2 GLN C 27 -40.555 56.033 6.184 1.00105.94 N +ATOM 6499 H GLN C 27 -42.057 50.866 8.446 1.00 15.00 H +ATOM 6500 HE21 GLN C 27 -39.928 56.410 5.534 1.00 15.00 H +ATOM 6501 HE22 GLN C 27 -40.467 56.105 7.154 1.00 15.00 H +ATOM 6502 N ASN C 28 -44.786 52.736 6.386 1.00 65.70 N +ATOM 6503 CA ASN C 28 -45.696 52.219 5.369 1.00 62.94 C +ATOM 6504 C ASN C 28 -44.920 51.682 4.161 1.00 58.36 C +ATOM 6505 O ASN C 28 -44.124 52.410 3.568 1.00 64.09 O +ATOM 6506 CB ASN C 28 -46.657 53.348 4.961 1.00 64.00 C +ATOM 6507 CG ASN C 28 -47.188 53.201 3.553 1.00 68.71 C +ATOM 6508 OD1 ASN C 28 -47.590 52.113 3.129 1.00 74.17 O +ATOM 6509 ND2 ASN C 28 -47.195 54.306 2.814 1.00 67.19 N +ATOM 6510 H ASN C 28 -44.813 53.691 6.577 1.00 15.00 H +ATOM 6511 HD21 ASN C 28 -47.554 54.250 1.910 1.00 15.00 H +ATOM 6512 HD22 ASN C 28 -46.843 55.130 3.209 1.00 15.00 H +ATOM 6513 N ILE C 29 -45.133 50.411 3.815 1.00 48.27 N +ATOM 6514 CA ILE C 29 -44.443 49.810 2.670 1.00 34.05 C +ATOM 6515 C ILE C 29 -45.395 49.231 1.618 1.00 32.26 C +ATOM 6516 O ILE C 29 -45.051 48.333 0.832 1.00 24.78 O +ATOM 6517 CB ILE C 29 -43.403 48.750 3.094 1.00 21.23 C +ATOM 6518 CG1 ILE C 29 -44.076 47.543 3.732 1.00 21.24 C +ATOM 6519 CG2 ILE C 29 -42.413 49.348 4.050 1.00 21.39 C +ATOM 6520 CD1 ILE C 29 -43.121 46.391 3.986 1.00 30.37 C +ATOM 6521 H ILE C 29 -45.755 49.866 4.349 1.00 15.00 H +ATOM 6522 N ASN C 30 -46.600 49.776 1.591 1.00 28.08 N +ATOM 6523 CA ASN C 30 -47.591 49.352 0.622 1.00 35.09 C +ATOM 6524 C ASN C 30 -47.717 47.838 0.594 1.00 26.51 C +ATOM 6525 O ASN C 30 -48.151 47.245 1.566 1.00 30.58 O +ATOM 6526 CB ASN C 30 -47.236 49.888 -0.771 1.00 45.38 C +ATOM 6527 CG ASN C 30 -46.847 51.356 -0.752 1.00 54.93 C +ATOM 6528 OD1 ASN C 30 -46.050 51.801 -1.578 1.00 63.20 O +ATOM 6529 ND2 ASN C 30 -47.387 52.111 0.199 1.00 52.01 N +ATOM 6530 H ASN C 30 -46.819 50.456 2.264 1.00 15.00 H +ATOM 6531 HD21 ASN C 30 -47.098 53.042 0.160 1.00 15.00 H +ATOM 6532 HD22 ASN C 30 -48.012 51.764 0.874 1.00 15.00 H +ATOM 6533 N VAL C 31 -47.303 47.204 -0.491 1.00 18.81 N +ATOM 6534 CA VAL C 31 -47.432 45.765 -0.575 1.00 17.39 C +ATOM 6535 C VAL C 31 -46.121 45.173 -1.036 1.00 25.94 C +ATOM 6536 O VAL C 31 -46.079 44.080 -1.618 1.00 28.71 O +ATOM 6537 CB VAL C 31 -48.543 45.378 -1.559 1.00 17.76 C +ATOM 6538 CG1 VAL C 31 -49.826 46.090 -1.190 1.00 20.56 C +ATOM 6539 CG2 VAL C 31 -48.147 45.724 -2.979 1.00 16.86 C +ATOM 6540 H VAL C 31 -46.860 47.647 -1.241 1.00 15.00 H +ATOM 6541 N TRP C 32 -45.039 45.879 -0.740 1.00 23.54 N +ATOM 6542 CA TRP C 32 -43.725 45.428 -1.154 1.00 27.39 C +ATOM 6543 C TRP C 32 -43.102 44.527 -0.115 1.00 29.13 C +ATOM 6544 O TRP C 32 -42.332 44.984 0.728 1.00 33.29 O +ATOM 6545 CB TRP C 32 -42.857 46.644 -1.456 1.00 32.24 C +ATOM 6546 CG TRP C 32 -43.446 47.431 -2.589 1.00 35.27 C +ATOM 6547 CD1 TRP C 32 -44.076 48.650 -2.519 1.00 32.17 C +ATOM 6548 CD2 TRP C 32 -43.533 47.012 -3.960 1.00 26.43 C +ATOM 6549 NE1 TRP C 32 -44.551 49.004 -3.765 1.00 22.95 N +ATOM 6550 CE2 TRP C 32 -44.232 48.019 -4.663 1.00 12.02 C +ATOM 6551 CE3 TRP C 32 -43.089 45.879 -4.660 1.00 24.67 C +ATOM 6552 CZ2 TRP C 32 -44.498 47.926 -6.031 1.00 13.96 C +ATOM 6553 CZ3 TRP C 32 -43.355 45.787 -6.027 1.00 22.99 C +ATOM 6554 CH2 TRP C 32 -44.056 46.808 -6.696 1.00 21.42 C +ATOM 6555 H TRP C 32 -45.109 46.688 -0.190 1.00 15.00 H +ATOM 6556 HE1 TRP C 32 -45.025 49.844 -3.969 1.00 15.00 H +ATOM 6557 N LEU C 33 -43.434 43.239 -0.179 1.00 28.36 N +ATOM 6558 CA LEU C 33 -42.911 42.293 0.799 1.00 29.05 C +ATOM 6559 C LEU C 33 -42.775 40.854 0.312 1.00 28.38 C +ATOM 6560 O LEU C 33 -43.708 40.272 -0.235 1.00 25.82 O +ATOM 6561 CB LEU C 33 -43.756 42.349 2.066 1.00 21.51 C +ATOM 6562 CG LEU C 33 -43.093 41.677 3.265 1.00 27.03 C +ATOM 6563 CD1 LEU C 33 -43.261 42.555 4.487 1.00 16.13 C +ATOM 6564 CD2 LEU C 33 -43.649 40.268 3.492 1.00 27.47 C +ATOM 6565 H LEU C 33 -44.048 42.936 -0.878 1.00 15.00 H +ATOM 6566 N SER C 34 -41.601 40.285 0.545 1.00 30.03 N +ATOM 6567 CA SER C 34 -41.286 38.928 0.131 1.00 23.74 C +ATOM 6568 C SER C 34 -41.147 37.964 1.296 1.00 18.98 C +ATOM 6569 O SER C 34 -40.902 38.359 2.436 1.00 23.15 O +ATOM 6570 CB SER C 34 -39.994 38.929 -0.684 1.00 30.31 C +ATOM 6571 OG SER C 34 -38.935 39.571 0.017 1.00 38.34 O +ATOM 6572 H SER C 34 -40.920 40.771 1.023 1.00 15.00 H +ATOM 6573 HG SER C 34 -39.153 40.513 0.100 1.00 15.00 H +ATOM 6574 N TRP C 35 -41.269 36.687 0.989 1.00 10.15 N +ATOM 6575 CA TRP C 35 -41.155 35.642 1.985 1.00 16.54 C +ATOM 6576 C TRP C 35 -40.260 34.566 1.413 1.00 15.52 C +ATOM 6577 O TRP C 35 -40.643 33.903 0.452 1.00 12.91 O +ATOM 6578 CB TRP C 35 -42.535 35.040 2.289 1.00 10.60 C +ATOM 6579 CG TRP C 35 -43.346 35.852 3.230 1.00 19.11 C +ATOM 6580 CD1 TRP C 35 -44.390 36.678 2.920 1.00 25.71 C +ATOM 6581 CD2 TRP C 35 -43.178 35.933 4.650 1.00 28.28 C +ATOM 6582 NE1 TRP C 35 -44.883 37.273 4.060 1.00 18.93 N +ATOM 6583 CE2 TRP C 35 -44.158 36.834 5.137 1.00 26.92 C +ATOM 6584 CE3 TRP C 35 -42.296 35.334 5.560 1.00 18.91 C +ATOM 6585 CZ2 TRP C 35 -44.277 37.148 6.492 1.00 22.02 C +ATOM 6586 CZ3 TRP C 35 -42.418 35.648 6.902 1.00 17.74 C +ATOM 6587 CH2 TRP C 35 -43.403 36.548 7.356 1.00 16.57 C +ATOM 6588 H TRP C 35 -41.450 36.436 0.064 1.00 15.00 H +ATOM 6589 HE1 TRP C 35 -45.618 37.924 4.063 1.00 15.00 H +ATOM 6590 N TYR C 36 -39.046 34.435 1.935 1.00 15.03 N +ATOM 6591 CA TYR C 36 -38.155 33.388 1.440 1.00 25.78 C +ATOM 6592 C TYR C 36 -38.179 32.262 2.485 1.00 28.16 C +ATOM 6593 O TYR C 36 -38.506 32.510 3.652 1.00 29.80 O +ATOM 6594 CB TYR C 36 -36.727 33.917 1.235 1.00 30.30 C +ATOM 6595 CG TYR C 36 -36.632 35.245 0.495 1.00 23.23 C +ATOM 6596 CD1 TYR C 36 -36.829 36.440 1.171 1.00 7.75 C +ATOM 6597 CD2 TYR C 36 -36.341 35.304 -0.876 1.00 12.10 C +ATOM 6598 CE1 TYR C 36 -36.744 37.651 0.521 1.00 9.93 C +ATOM 6599 CE2 TYR C 36 -36.257 36.527 -1.537 1.00 10.00 C +ATOM 6600 CZ TYR C 36 -36.461 37.696 -0.822 1.00 8.10 C +ATOM 6601 OH TYR C 36 -36.375 38.930 -1.411 1.00 2.00 O +ATOM 6602 H TYR C 36 -38.788 34.990 2.700 1.00 15.00 H +ATOM 6603 HH TYR C 36 -36.844 39.553 -0.833 1.00 15.00 H +ATOM 6604 N GLN C 37 -37.859 31.035 2.080 1.00 20.31 N +ATOM 6605 CA GLN C 37 -37.869 29.910 3.013 1.00 14.00 C +ATOM 6606 C GLN C 37 -36.568 29.127 2.975 1.00 20.86 C +ATOM 6607 O GLN C 37 -36.322 28.354 2.042 1.00 21.06 O +ATOM 6608 CB GLN C 37 -39.026 28.973 2.692 1.00 23.48 C +ATOM 6609 CG GLN C 37 -38.988 27.680 3.451 1.00 24.33 C +ATOM 6610 CD GLN C 37 -39.277 26.493 2.572 1.00 34.20 C +ATOM 6611 OE1 GLN C 37 -40.232 25.751 2.805 1.00 39.19 O +ATOM 6612 NE2 GLN C 37 -38.439 26.290 1.560 1.00 18.94 N +ATOM 6613 H GLN C 37 -37.632 30.885 1.139 1.00 15.00 H +ATOM 6614 HE21 GLN C 37 -38.647 25.514 1.002 1.00 15.00 H +ATOM 6615 HE22 GLN C 37 -37.682 26.902 1.433 1.00 15.00 H +ATOM 6616 N GLN C 38 -35.764 29.275 4.023 1.00 23.51 N +ATOM 6617 CA GLN C 38 -34.475 28.601 4.102 1.00 17.84 C +ATOM 6618 C GLN C 38 -34.529 27.321 4.890 1.00 21.23 C +ATOM 6619 O GLN C 38 -34.779 27.323 6.096 1.00 17.70 O +ATOM 6620 CB GLN C 38 -33.424 29.512 4.725 1.00 3.62 C +ATOM 6621 CG GLN C 38 -32.016 28.952 4.618 1.00 14.94 C +ATOM 6622 CD GLN C 38 -30.961 30.040 4.763 1.00 30.33 C +ATOM 6623 OE1 GLN C 38 -31.257 31.138 5.233 1.00 23.50 O +ATOM 6624 NE2 GLN C 38 -29.734 29.751 4.341 1.00 29.72 N +ATOM 6625 H GLN C 38 -36.057 29.832 4.776 1.00 15.00 H +ATOM 6626 HE21 GLN C 38 -29.057 30.455 4.461 1.00 15.00 H +ATOM 6627 HE22 GLN C 38 -29.556 28.879 3.947 1.00 15.00 H +ATOM 6628 N LYS C 39 -34.335 26.215 4.193 1.00 22.83 N +ATOM 6629 CA LYS C 39 -34.320 24.929 4.850 1.00 23.26 C +ATOM 6630 C LYS C 39 -32.865 24.851 5.271 1.00 32.84 C +ATOM 6631 O LYS C 39 -31.995 25.380 4.581 1.00 34.79 O +ATOM 6632 CB LYS C 39 -34.689 23.821 3.862 1.00 29.98 C +ATOM 6633 CG LYS C 39 -36.131 23.919 3.347 1.00 32.52 C +ATOM 6634 CD LYS C 39 -36.454 22.863 2.286 1.00 34.98 C +ATOM 6635 CE LYS C 39 -37.869 23.063 1.748 1.00 53.62 C +ATOM 6636 NZ LYS C 39 -38.301 22.041 0.748 1.00 60.67 N +ATOM 6637 H LYS C 39 -34.171 26.276 3.232 1.00 15.00 H +ATOM 6638 HZ1 LYS C 39 -37.657 22.065 -0.070 1.00 15.00 H +ATOM 6639 HZ2 LYS C 39 -38.277 21.101 1.191 1.00 15.00 H +ATOM 6640 HZ3 LYS C 39 -39.272 22.255 0.437 1.00 15.00 H +ATOM 6641 N PRO C 40 -32.588 24.272 6.448 1.00 42.34 N +ATOM 6642 CA PRO C 40 -31.220 24.148 6.955 1.00 42.95 C +ATOM 6643 C PRO C 40 -30.251 23.584 5.932 1.00 41.27 C +ATOM 6644 O PRO C 40 -30.586 22.661 5.182 1.00 33.15 O +ATOM 6645 CB PRO C 40 -31.386 23.221 8.163 1.00 43.88 C +ATOM 6646 CG PRO C 40 -32.629 22.452 7.850 1.00 40.86 C +ATOM 6647 CD PRO C 40 -33.519 23.525 7.307 1.00 48.40 C +ATOM 6648 N GLY C 41 -29.061 24.178 5.894 1.00 42.07 N +ATOM 6649 CA GLY C 41 -28.041 23.750 4.958 1.00 50.63 C +ATOM 6650 C GLY C 41 -28.454 23.999 3.518 1.00 50.62 C +ATOM 6651 O GLY C 41 -27.984 23.312 2.602 1.00 48.03 O +ATOM 6652 H GLY C 41 -28.871 24.922 6.496 1.00 15.00 H +ATOM 6653 N ASN C 42 -29.298 25.008 3.312 1.00 46.02 N +ATOM 6654 CA ASN C 42 -29.775 25.330 1.973 1.00 45.15 C +ATOM 6655 C ASN C 42 -29.912 26.846 1.745 1.00 41.94 C +ATOM 6656 O ASN C 42 -29.990 27.616 2.712 1.00 36.18 O +ATOM 6657 CB ASN C 42 -31.113 24.622 1.742 1.00 45.53 C +ATOM 6658 CG ASN C 42 -31.533 24.633 0.296 1.00 49.79 C +ATOM 6659 OD1 ASN C 42 -30.972 23.914 -0.533 1.00 46.56 O +ATOM 6660 ND2 ASN C 42 -32.513 25.464 -0.024 1.00 56.51 N +ATOM 6661 H ASN C 42 -29.643 25.541 4.055 1.00 15.00 H +ATOM 6662 HD21 ASN C 42 -32.804 25.479 -0.957 1.00 15.00 H +ATOM 6663 HD22 ASN C 42 -32.920 26.043 0.651 1.00 15.00 H +ATOM 6664 N ILE C 43 -29.905 27.269 0.475 1.00 32.84 N +ATOM 6665 CA ILE C 43 -30.045 28.687 0.122 1.00 22.18 C +ATOM 6666 C ILE C 43 -31.513 29.066 0.182 1.00 19.97 C +ATOM 6667 O ILE C 43 -32.380 28.227 -0.030 1.00 28.50 O +ATOM 6668 CB ILE C 43 -29.514 29.006 -1.293 1.00 16.17 C +ATOM 6669 CG1 ILE C 43 -30.426 28.426 -2.372 1.00 21.45 C +ATOM 6670 CG2 ILE C 43 -28.121 28.431 -1.469 1.00 28.03 C +ATOM 6671 CD1 ILE C 43 -30.137 26.971 -2.723 1.00 30.26 C +ATOM 6672 H ILE C 43 -29.811 26.601 -0.231 1.00 15.00 H +ATOM 6673 N PRO C 44 -31.816 30.332 0.478 1.00 16.38 N +ATOM 6674 CA PRO C 44 -33.207 30.784 0.557 1.00 17.09 C +ATOM 6675 C PRO C 44 -33.873 30.526 -0.779 1.00 27.54 C +ATOM 6676 O PRO C 44 -33.206 30.442 -1.807 1.00 37.55 O +ATOM 6677 CB PRO C 44 -33.073 32.296 0.743 1.00 21.13 C +ATOM 6678 CG PRO C 44 -31.696 32.492 1.275 1.00 13.57 C +ATOM 6679 CD PRO C 44 -30.890 31.471 0.522 1.00 14.79 C +ATOM 6680 N LYS C 45 -35.188 30.390 -0.765 1.00 30.35 N +ATOM 6681 CA LYS C 45 -35.934 30.190 -1.990 1.00 29.69 C +ATOM 6682 C LYS C 45 -37.026 31.213 -1.857 1.00 32.72 C +ATOM 6683 O LYS C 45 -37.544 31.433 -0.748 1.00 24.55 O +ATOM 6684 CB LYS C 45 -36.553 28.793 -2.063 1.00 37.37 C +ATOM 6685 CG LYS C 45 -37.389 28.576 -3.329 1.00 55.29 C +ATOM 6686 CD LYS C 45 -38.628 27.719 -3.080 1.00 51.73 C +ATOM 6687 CE LYS C 45 -38.309 26.237 -3.030 1.00 56.18 C +ATOM 6688 NZ LYS C 45 -39.524 25.444 -2.678 1.00 62.22 N +ATOM 6689 H LYS C 45 -35.683 30.438 0.073 1.00 15.00 H +ATOM 6690 HZ1 LYS C 45 -40.271 25.630 -3.378 1.00 15.00 H +ATOM 6691 HZ2 LYS C 45 -39.291 24.431 -2.678 1.00 15.00 H +ATOM 6692 HZ3 LYS C 45 -39.849 25.734 -1.734 1.00 15.00 H +ATOM 6693 N LEU C 46 -37.324 31.905 -2.947 1.00 33.65 N +ATOM 6694 CA LEU C 46 -38.382 32.897 -2.885 1.00 32.46 C +ATOM 6695 C LEU C 46 -39.702 32.154 -2.840 1.00 27.06 C +ATOM 6696 O LEU C 46 -39.910 31.217 -3.612 1.00 26.98 O +ATOM 6697 CB LEU C 46 -38.335 33.825 -4.088 1.00 28.86 C +ATOM 6698 CG LEU C 46 -39.442 34.879 -4.090 1.00 27.75 C +ATOM 6699 CD1 LEU C 46 -39.561 35.582 -2.747 1.00 14.69 C +ATOM 6700 CD2 LEU C 46 -39.147 35.867 -5.190 1.00 32.32 C +ATOM 6701 H LEU C 46 -36.850 31.745 -3.785 1.00 15.00 H +ATOM 6702 N LEU C 47 -40.551 32.520 -1.888 1.00 19.90 N +ATOM 6703 CA LEU C 47 -41.848 31.877 -1.741 1.00 23.86 C +ATOM 6704 C LEU C 47 -42.959 32.773 -2.237 1.00 27.98 C +ATOM 6705 O LEU C 47 -43.777 32.362 -3.056 1.00 36.95 O +ATOM 6706 CB LEU C 47 -42.165 31.557 -0.274 1.00 31.54 C +ATOM 6707 CG LEU C 47 -41.446 30.512 0.576 1.00 29.63 C +ATOM 6708 CD1 LEU C 47 -41.956 30.638 2.003 1.00 21.63 C +ATOM 6709 CD2 LEU C 47 -41.699 29.120 0.041 1.00 23.30 C +ATOM 6710 H LEU C 47 -40.288 33.224 -1.265 1.00 15.00 H +ATOM 6711 N ILE C 48 -42.989 33.999 -1.732 1.00 26.71 N +ATOM 6712 CA ILE C 48 -44.036 34.949 -2.071 1.00 23.16 C +ATOM 6713 C ILE C 48 -43.461 36.356 -2.179 1.00 32.40 C +ATOM 6714 O ILE C 48 -42.529 36.699 -1.448 1.00 44.76 O +ATOM 6715 CB ILE C 48 -45.106 34.900 -0.971 1.00 30.98 C +ATOM 6716 CG1 ILE C 48 -45.851 33.555 -1.034 1.00 36.33 C +ATOM 6717 CG2 ILE C 48 -46.034 36.096 -1.059 1.00 35.20 C +ATOM 6718 CD1 ILE C 48 -46.797 33.284 0.139 1.00 41.86 C +ATOM 6719 H ILE C 48 -42.280 34.278 -1.115 1.00 15.00 H +ATOM 6720 N TYR C 49 -43.996 37.163 -3.095 1.00 35.01 N +ATOM 6721 CA TYR C 49 -43.516 38.531 -3.287 1.00 29.91 C +ATOM 6722 C TYR C 49 -44.661 39.495 -3.463 1.00 26.41 C +ATOM 6723 O TYR C 49 -45.745 39.108 -3.897 1.00 14.18 O +ATOM 6724 CB TYR C 49 -42.625 38.615 -4.517 1.00 32.07 C +ATOM 6725 CG TYR C 49 -43.301 38.149 -5.786 1.00 39.05 C +ATOM 6726 CD1 TYR C 49 -44.076 39.015 -6.552 1.00 43.15 C +ATOM 6727 CD2 TYR C 49 -43.148 36.841 -6.232 1.00 48.73 C +ATOM 6728 CE1 TYR C 49 -44.678 38.585 -7.728 1.00 45.13 C +ATOM 6729 CE2 TYR C 49 -43.744 36.406 -7.407 1.00 51.07 C +ATOM 6730 CZ TYR C 49 -44.506 37.280 -8.147 1.00 44.74 C +ATOM 6731 OH TYR C 49 -45.091 36.839 -9.307 1.00 59.61 O +ATOM 6732 H TYR C 49 -44.742 36.852 -3.660 1.00 15.00 H +ATOM 6733 HH TYR C 49 -45.645 37.532 -9.674 1.00 15.00 H +ATOM 6734 N LYS C 50 -44.379 40.769 -3.225 1.00 29.47 N +ATOM 6735 CA LYS C 50 -45.386 41.805 -3.345 1.00 29.54 C +ATOM 6736 C LYS C 50 -46.637 41.352 -2.606 1.00 24.84 C +ATOM 6737 O LYS C 50 -47.643 41.010 -3.213 1.00 27.30 O +ATOM 6738 CB LYS C 50 -45.692 42.097 -4.820 1.00 34.65 C +ATOM 6739 CG LYS C 50 -46.628 43.283 -5.028 1.00 46.76 C +ATOM 6740 CD LYS C 50 -46.479 43.925 -6.416 1.00 63.09 C +ATOM 6741 CE LYS C 50 -47.386 43.315 -7.494 1.00 69.11 C +ATOM 6742 NZ LYS C 50 -47.169 43.955 -8.842 1.00 61.73 N +ATOM 6743 H LYS C 50 -43.472 41.008 -2.964 1.00 15.00 H +ATOM 6744 HZ1 LYS C 50 -47.364 44.975 -8.775 1.00 15.00 H +ATOM 6745 HZ2 LYS C 50 -46.181 43.809 -9.131 1.00 15.00 H +ATOM 6746 HZ3 LYS C 50 -47.805 43.525 -9.542 1.00 15.00 H +ATOM 6747 N ALA C 51 -46.496 41.203 -1.296 1.00 31.01 N +ATOM 6748 CA ALA C 51 -47.587 40.803 -0.405 1.00 31.82 C +ATOM 6749 C ALA C 51 -48.179 39.387 -0.495 1.00 31.69 C +ATOM 6750 O ALA C 51 -48.308 38.720 0.534 1.00 30.21 O +ATOM 6751 CB ALA C 51 -48.710 41.842 -0.452 1.00 36.84 C +ATOM 6752 H ALA C 51 -45.614 41.341 -0.901 1.00 15.00 H +ATOM 6753 N SER C 52 -48.535 38.914 -1.691 1.00 31.68 N +ATOM 6754 CA SER C 52 -49.152 37.589 -1.803 1.00 29.52 C +ATOM 6755 C SER C 52 -49.001 36.866 -3.130 1.00 26.78 C +ATOM 6756 O SER C 52 -49.442 35.722 -3.274 1.00 27.08 O +ATOM 6757 CB SER C 52 -50.637 37.724 -1.521 1.00 36.14 C +ATOM 6758 OG SER C 52 -51.163 38.779 -2.314 1.00 45.53 O +ATOM 6759 H SER C 52 -48.435 39.470 -2.483 1.00 15.00 H +ATOM 6760 HG SER C 52 -52.092 38.854 -2.079 1.00 15.00 H +ATOM 6761 N ASN C 53 -48.430 37.535 -4.118 1.00 26.12 N +ATOM 6762 CA ASN C 53 -48.264 36.906 -5.417 1.00 33.64 C +ATOM 6763 C ASN C 53 -47.244 35.763 -5.296 1.00 33.58 C +ATOM 6764 O ASN C 53 -46.064 35.986 -5.002 1.00 34.85 O +ATOM 6765 CB ASN C 53 -47.863 37.954 -6.466 1.00 34.80 C +ATOM 6766 CG ASN C 53 -48.921 39.060 -6.630 1.00 48.80 C +ATOM 6767 OD1 ASN C 53 -49.722 39.046 -7.569 1.00 59.39 O +ATOM 6768 ND2 ASN C 53 -48.922 40.020 -5.714 1.00 53.93 N +ATOM 6769 H ASN C 53 -48.069 38.429 -3.960 1.00 15.00 H +ATOM 6770 HD21 ASN C 53 -49.607 40.710 -5.812 1.00 15.00 H +ATOM 6771 HD22 ASN C 53 -48.266 40.032 -4.985 1.00 15.00 H +ATOM 6772 N LEU C 54 -47.745 34.533 -5.382 1.00 28.04 N +ATOM 6773 CA LEU C 54 -46.904 33.345 -5.285 1.00 25.77 C +ATOM 6774 C LEU C 54 -45.909 33.242 -6.408 1.00 28.44 C +ATOM 6775 O LEU C 54 -46.199 33.573 -7.551 1.00 43.48 O +ATOM 6776 CB LEU C 54 -47.741 32.067 -5.295 1.00 24.49 C +ATOM 6777 CG LEU C 54 -48.129 31.458 -3.947 1.00 32.22 C +ATOM 6778 CD1 LEU C 54 -49.087 32.381 -3.193 1.00 32.85 C +ATOM 6779 CD2 LEU C 54 -48.765 30.094 -4.185 1.00 28.82 C +ATOM 6780 H LEU C 54 -48.707 34.439 -5.504 1.00 15.00 H +ATOM 6781 N HIS C 55 -44.748 32.711 -6.081 1.00 29.89 N +ATOM 6782 CA HIS C 55 -43.700 32.530 -7.051 1.00 38.00 C +ATOM 6783 C HIS C 55 -43.959 31.193 -7.747 1.00 39.70 C +ATOM 6784 O HIS C 55 -44.811 30.421 -7.310 1.00 35.26 O +ATOM 6785 CB HIS C 55 -42.361 32.525 -6.325 1.00 47.58 C +ATOM 6786 CG HIS C 55 -41.188 32.290 -7.215 1.00 57.15 C +ATOM 6787 ND1 HIS C 55 -41.004 32.971 -8.399 1.00 62.12 N +ATOM 6788 CD2 HIS C 55 -40.138 31.443 -7.099 1.00 63.55 C +ATOM 6789 CE1 HIS C 55 -39.890 32.553 -8.974 1.00 72.01 C +ATOM 6790 NE2 HIS C 55 -39.346 31.626 -8.205 1.00 71.50 N +ATOM 6791 H HIS C 55 -44.627 32.397 -5.158 1.00 15.00 H +ATOM 6792 HD1 HIS C 55 -41.590 33.675 -8.758 1.00 15.00 H +ATOM 6793 HE2 HIS C 55 -38.507 31.144 -8.383 1.00 15.00 H +ATOM 6794 N THR C 56 -43.251 30.941 -8.845 1.00 46.33 N +ATOM 6795 CA THR C 56 -43.404 29.698 -9.600 1.00 53.78 C +ATOM 6796 C THR C 56 -42.689 28.549 -8.891 1.00 54.94 C +ATOM 6797 O THR C 56 -41.560 28.711 -8.432 1.00 68.61 O +ATOM 6798 CB THR C 56 -42.856 29.842 -11.054 1.00 58.10 C +ATOM 6799 OG1 THR C 56 -41.430 30.012 -11.035 1.00 59.70 O +ATOM 6800 CG2 THR C 56 -43.489 31.053 -11.744 1.00 58.10 C +ATOM 6801 H THR C 56 -42.602 31.567 -9.200 1.00 15.00 H +ATOM 6802 HG1 THR C 56 -41.086 29.910 -11.933 1.00 15.00 H +ATOM 6803 N GLY C 57 -43.350 27.400 -8.789 1.00 56.55 N +ATOM 6804 CA GLY C 57 -42.764 26.247 -8.120 1.00 54.46 C +ATOM 6805 C GLY C 57 -43.334 26.101 -6.720 1.00 51.24 C +ATOM 6806 O GLY C 57 -43.440 24.991 -6.194 1.00 53.17 O +ATOM 6807 H GLY C 57 -44.264 27.330 -9.128 1.00 15.00 H +ATOM 6808 N VAL C 58 -43.745 27.233 -6.148 1.00 48.72 N +ATOM 6809 CA VAL C 58 -44.317 27.312 -4.803 1.00 45.89 C +ATOM 6810 C VAL C 58 -45.756 26.790 -4.743 1.00 50.95 C +ATOM 6811 O VAL C 58 -46.636 27.319 -5.429 1.00 52.39 O +ATOM 6812 CB VAL C 58 -44.301 28.771 -4.303 1.00 39.30 C +ATOM 6813 CG1 VAL C 58 -44.903 28.864 -2.920 1.00 36.86 C +ATOM 6814 CG2 VAL C 58 -42.880 29.314 -4.315 1.00 35.73 C +ATOM 6815 H VAL C 58 -43.686 28.071 -6.646 1.00 15.00 H +ATOM 6816 N PRO C 59 -46.012 25.764 -3.898 1.00 53.18 N +ATOM 6817 CA PRO C 59 -47.302 25.094 -3.668 1.00 52.55 C +ATOM 6818 C PRO C 59 -48.393 25.971 -3.048 1.00 51.26 C +ATOM 6819 O PRO C 59 -48.122 26.805 -2.185 1.00 52.14 O +ATOM 6820 CB PRO C 59 -46.928 23.957 -2.715 1.00 52.98 C +ATOM 6821 CG PRO C 59 -45.490 23.698 -3.023 1.00 51.97 C +ATOM 6822 CD PRO C 59 -44.953 25.089 -3.129 1.00 53.63 C +ATOM 6823 N SER C 60 -49.637 25.680 -3.408 1.00 50.64 N +ATOM 6824 CA SER C 60 -50.801 26.420 -2.924 1.00 55.33 C +ATOM 6825 C SER C 60 -50.974 26.451 -1.404 1.00 56.68 C +ATOM 6826 O SER C 60 -51.787 27.215 -0.883 1.00 58.54 O +ATOM 6827 CB SER C 60 -52.065 25.857 -3.574 1.00 57.64 C +ATOM 6828 OG SER C 60 -51.985 24.441 -3.674 1.00 65.50 O +ATOM 6829 H SER C 60 -49.824 24.936 -4.017 1.00 15.00 H +ATOM 6830 HG SER C 60 -52.813 24.114 -4.045 1.00 15.00 H +ATOM 6831 N ARG C 61 -50.241 25.595 -0.701 1.00 58.42 N +ATOM 6832 CA ARG C 61 -50.319 25.532 0.755 1.00 54.84 C +ATOM 6833 C ARG C 61 -49.959 26.874 1.378 1.00 52.31 C +ATOM 6834 O ARG C 61 -50.664 27.369 2.261 1.00 56.96 O +ATOM 6835 CB ARG C 61 -49.347 24.485 1.300 1.00 59.70 C +ATOM 6836 CG ARG C 61 -49.625 23.062 0.892 1.00 66.42 C +ATOM 6837 CD ARG C 61 -48.599 22.121 1.519 1.00 76.64 C +ATOM 6838 NE ARG C 61 -47.280 22.210 0.888 1.00 77.10 N +ATOM 6839 CZ ARG C 61 -46.176 21.634 1.363 1.00 79.61 C +ATOM 6840 NH1 ARG C 61 -46.211 20.928 2.488 1.00 69.54 N +ATOM 6841 NH2 ARG C 61 -45.036 21.733 0.690 1.00 92.32 N +ATOM 6842 H ARG C 61 -49.643 24.998 -1.185 1.00 15.00 H +ATOM 6843 HE ARG C 61 -47.200 22.727 0.060 1.00 15.00 H +ATOM 6844 HH11 ARG C 61 -47.071 20.830 2.989 1.00 15.00 H +ATOM 6845 HH12 ARG C 61 -45.379 20.501 2.839 1.00 15.00 H +ATOM 6846 HH21 ARG C 61 -45.012 22.243 -0.171 1.00 15.00 H +ATOM 6847 HH22 ARG C 61 -44.206 21.303 1.045 1.00 15.00 H +ATOM 6848 N PHE C 62 -48.819 27.415 0.956 1.00 42.52 N +ATOM 6849 CA PHE C 62 -48.320 28.684 1.467 1.00 32.49 C +ATOM 6850 C PHE C 62 -49.160 29.786 0.874 1.00 27.08 C +ATOM 6851 O PHE C 62 -49.419 29.777 -0.319 1.00 24.70 O +ATOM 6852 CB PHE C 62 -46.871 28.903 1.034 1.00 28.30 C +ATOM 6853 CG PHE C 62 -45.914 27.836 1.497 1.00 20.40 C +ATOM 6854 CD1 PHE C 62 -45.317 27.918 2.749 1.00 24.37 C +ATOM 6855 CD2 PHE C 62 -45.563 26.787 0.655 1.00 11.91 C +ATOM 6856 CE1 PHE C 62 -44.375 26.971 3.159 1.00 31.92 C +ATOM 6857 CE2 PHE C 62 -44.623 25.835 1.052 1.00 27.02 C +ATOM 6858 CZ PHE C 62 -44.027 25.926 2.305 1.00 24.92 C +ATOM 6859 H PHE C 62 -48.332 26.993 0.220 1.00 15.00 H +ATOM 6860 N SER C 63 -49.593 30.725 1.702 1.00 31.31 N +ATOM 6861 CA SER C 63 -50.403 31.836 1.222 1.00 37.67 C +ATOM 6862 C SER C 63 -50.111 33.096 1.999 1.00 34.39 C +ATOM 6863 O SER C 63 -50.258 33.144 3.223 1.00 34.01 O +ATOM 6864 CB SER C 63 -51.897 31.514 1.310 1.00 48.72 C +ATOM 6865 OG SER C 63 -52.284 30.549 0.342 1.00 62.80 O +ATOM 6866 H SER C 63 -49.413 30.656 2.661 1.00 15.00 H +ATOM 6867 HG SER C 63 -51.766 29.733 0.420 1.00 15.00 H +ATOM 6868 N GLY C 64 -49.610 34.090 1.287 1.00 31.85 N +ATOM 6869 CA GLY C 64 -49.315 35.357 1.913 1.00 32.28 C +ATOM 6870 C GLY C 64 -50.573 36.195 1.832 1.00 35.87 C +ATOM 6871 O GLY C 64 -51.426 35.964 0.961 1.00 38.73 O +ATOM 6872 H GLY C 64 -49.481 33.992 0.322 1.00 15.00 H +ATOM 6873 N SER C 65 -50.686 37.159 2.736 1.00 32.34 N +ATOM 6874 CA SER C 65 -51.836 38.051 2.805 1.00 36.06 C +ATOM 6875 C SER C 65 -51.381 39.238 3.643 1.00 31.10 C +ATOM 6876 O SER C 65 -50.274 39.219 4.178 1.00 43.56 O +ATOM 6877 CB SER C 65 -53.013 37.333 3.483 1.00 45.39 C +ATOM 6878 OG SER C 65 -54.228 38.056 3.359 1.00 56.20 O +ATOM 6879 H SER C 65 -49.974 37.293 3.398 1.00 15.00 H +ATOM 6880 HG SER C 65 -54.926 37.515 3.741 1.00 15.00 H +ATOM 6881 N GLY C 66 -52.226 40.257 3.761 1.00 26.50 N +ATOM 6882 CA GLY C 66 -51.873 41.437 4.536 1.00 27.95 C +ATOM 6883 C GLY C 66 -51.160 42.511 3.724 1.00 26.26 C +ATOM 6884 O GLY C 66 -50.455 42.190 2.772 1.00 35.19 O +ATOM 6885 H GLY C 66 -53.085 40.193 3.302 1.00 15.00 H +ATOM 6886 N SER C 67 -51.329 43.777 4.101 1.00 22.71 N +ATOM 6887 CA SER C 67 -50.713 44.900 3.399 1.00 28.88 C +ATOM 6888 C SER C 67 -50.767 46.133 4.283 1.00 36.16 C +ATOM 6889 O SER C 67 -51.620 46.237 5.167 1.00 43.84 O +ATOM 6890 CB SER C 67 -51.470 45.207 2.104 1.00 37.26 C +ATOM 6891 OG SER C 67 -51.609 44.060 1.276 1.00 48.60 O +ATOM 6892 H SER C 67 -51.881 43.991 4.883 1.00 15.00 H +ATOM 6893 HG SER C 67 -50.795 43.533 1.309 1.00 15.00 H +ATOM 6894 N GLY C 68 -49.882 47.085 4.014 1.00 39.53 N +ATOM 6895 CA GLY C 68 -49.837 48.309 4.793 1.00 44.11 C +ATOM 6896 C GLY C 68 -48.639 48.272 5.719 1.00 51.86 C +ATOM 6897 O GLY C 68 -47.536 48.704 5.351 1.00 45.28 O +ATOM 6898 H GLY C 68 -49.233 46.975 3.283 1.00 15.00 H +ATOM 6899 N THR C 69 -48.854 47.716 6.908 1.00 54.98 N +ATOM 6900 CA THR C 69 -47.812 47.588 7.925 1.00 54.08 C +ATOM 6901 C THR C 69 -48.041 46.355 8.816 1.00 52.57 C +ATOM 6902 O THR C 69 -48.383 46.477 9.996 1.00 58.13 O +ATOM 6903 CB THR C 69 -47.713 48.871 8.805 1.00 54.10 C +ATOM 6904 OG1 THR C 69 -49.026 49.377 9.091 1.00 55.21 O +ATOM 6905 CG2 THR C 69 -46.897 49.949 8.103 1.00 51.92 C +ATOM 6906 H THR C 69 -49.753 47.400 7.142 1.00 15.00 H +ATOM 6907 HG1 THR C 69 -48.918 50.078 9.740 1.00 15.00 H +ATOM 6908 N GLY C 70 -47.844 45.172 8.239 1.00 44.83 N +ATOM 6909 CA GLY C 70 -48.029 43.925 8.965 1.00 41.17 C +ATOM 6910 C GLY C 70 -48.554 42.884 7.998 1.00 39.67 C +ATOM 6911 O GLY C 70 -49.710 42.946 7.595 1.00 32.12 O +ATOM 6912 H GLY C 70 -47.601 45.132 7.293 1.00 15.00 H +ATOM 6913 N PHE C 71 -47.716 41.926 7.627 1.00 41.70 N +ATOM 6914 CA PHE C 71 -48.110 40.912 6.654 1.00 48.29 C +ATOM 6915 C PHE C 71 -48.131 39.533 7.286 1.00 46.92 C +ATOM 6916 O PHE C 71 -47.535 39.341 8.342 1.00 56.32 O +ATOM 6917 CB PHE C 71 -47.146 40.956 5.464 1.00 60.20 C +ATOM 6918 CG PHE C 71 -46.973 42.337 4.877 1.00 64.95 C +ATOM 6919 CD1 PHE C 71 -46.325 43.340 5.594 1.00 67.72 C +ATOM 6920 CD2 PHE C 71 -47.484 42.643 3.623 1.00 70.77 C +ATOM 6921 CE1 PHE C 71 -46.195 44.620 5.074 1.00 67.62 C +ATOM 6922 CE2 PHE C 71 -47.358 43.923 3.094 1.00 75.03 C +ATOM 6923 CZ PHE C 71 -46.713 44.911 3.822 1.00 72.98 C +ATOM 6924 H PHE C 71 -46.828 41.873 8.036 1.00 15.00 H +ATOM 6925 N THR C 72 -48.760 38.561 6.632 1.00 38.19 N +ATOM 6926 CA THR C 72 -48.850 37.228 7.212 1.00 40.93 C +ATOM 6927 C THR C 72 -48.665 36.052 6.269 1.00 41.07 C +ATOM 6928 O THR C 72 -49.446 35.857 5.329 1.00 44.35 O +ATOM 6929 CB THR C 72 -50.225 37.008 7.911 1.00 51.36 C +ATOM 6930 OG1 THR C 72 -51.281 37.122 6.944 1.00 61.53 O +ATOM 6931 CG2 THR C 72 -50.456 38.020 9.029 1.00 44.12 C +ATOM 6932 H THR C 72 -49.191 38.734 5.768 1.00 15.00 H +ATOM 6933 HG1 THR C 72 -51.139 36.439 6.273 1.00 15.00 H +ATOM 6934 N LEU C 73 -47.651 35.244 6.542 1.00 39.80 N +ATOM 6935 CA LEU C 73 -47.424 34.053 5.747 1.00 33.25 C +ATOM 6936 C LEU C 73 -48.270 32.997 6.446 1.00 36.64 C +ATOM 6937 O LEU C 73 -48.392 33.010 7.679 1.00 32.37 O +ATOM 6938 CB LEU C 73 -45.958 33.645 5.771 1.00 25.36 C +ATOM 6939 CG LEU C 73 -45.694 32.238 5.219 1.00 30.92 C +ATOM 6940 CD1 LEU C 73 -46.082 32.156 3.753 1.00 26.70 C +ATOM 6941 CD2 LEU C 73 -44.230 31.860 5.412 1.00 28.87 C +ATOM 6942 H LEU C 73 -47.094 35.425 7.331 1.00 15.00 H +ATOM 6943 N THR C 74 -48.884 32.114 5.668 1.00 35.75 N +ATOM 6944 CA THR C 74 -49.721 31.074 6.235 1.00 33.65 C +ATOM 6945 C THR C 74 -49.574 29.739 5.530 1.00 32.34 C +ATOM 6946 O THR C 74 -49.847 29.623 4.333 1.00 35.49 O +ATOM 6947 CB THR C 74 -51.195 31.514 6.240 1.00 31.54 C +ATOM 6948 OG1 THR C 74 -51.367 32.558 7.205 1.00 44.96 O +ATOM 6949 CG2 THR C 74 -52.107 30.366 6.594 1.00 31.12 C +ATOM 6950 H THR C 74 -48.828 32.177 4.693 1.00 15.00 H +ATOM 6951 HG1 THR C 74 -50.514 32.662 7.649 1.00 15.00 H +ATOM 6952 N ILE C 75 -49.080 28.746 6.260 1.00 33.42 N +ATOM 6953 CA ILE C 75 -48.918 27.408 5.702 1.00 38.63 C +ATOM 6954 C ILE C 75 -50.122 26.581 6.152 1.00 40.84 C +ATOM 6955 O ILE C 75 -50.314 26.346 7.345 1.00 35.23 O +ATOM 6956 CB ILE C 75 -47.601 26.720 6.147 1.00 32.83 C +ATOM 6957 CG1 ILE C 75 -46.371 27.491 5.639 1.00 21.19 C +ATOM 6958 CG2 ILE C 75 -47.547 25.309 5.569 1.00 35.80 C +ATOM 6959 CD1 ILE C 75 -46.017 28.743 6.406 1.00 16.96 C +ATOM 6960 H ILE C 75 -48.854 28.920 7.197 1.00 15.00 H +ATOM 6961 N SER C 76 -50.931 26.173 5.180 1.00 49.02 N +ATOM 6962 CA SER C 76 -52.155 25.407 5.408 1.00 59.10 C +ATOM 6963 C SER C 76 -52.032 24.113 6.203 1.00 62.45 C +ATOM 6964 O SER C 76 -52.455 24.051 7.356 1.00 68.97 O +ATOM 6965 CB SER C 76 -52.841 25.129 4.072 1.00 62.70 C +ATOM 6966 OG SER C 76 -53.090 26.339 3.374 1.00 72.47 O +ATOM 6967 H SER C 76 -50.710 26.427 4.262 1.00 15.00 H +ATOM 6968 HG SER C 76 -52.305 26.804 3.052 1.00 15.00 H +ATOM 6969 N SER C 77 -51.522 23.065 5.569 1.00 59.24 N +ATOM 6970 CA SER C 77 -51.366 21.786 6.244 1.00 57.28 C +ATOM 6971 C SER C 77 -49.882 21.468 6.353 1.00 56.87 C +ATOM 6972 O SER C 77 -49.286 20.951 5.403 1.00 59.43 O +ATOM 6973 CB SER C 77 -52.087 20.694 5.457 1.00 54.49 C +ATOM 6974 OG SER C 77 -51.609 20.632 4.126 1.00 50.66 O +ATOM 6975 H SER C 77 -51.236 23.100 4.636 1.00 15.00 H +ATOM 6976 HG SER C 77 -50.694 20.303 4.165 1.00 15.00 H +ATOM 6977 N LEU C 78 -49.281 21.801 7.493 1.00 47.13 N +ATOM 6978 CA LEU C 78 -47.855 21.559 7.694 1.00 41.36 C +ATOM 6979 C LEU C 78 -47.387 20.190 7.264 1.00 37.67 C +ATOM 6980 O LEU C 78 -48.114 19.213 7.371 1.00 43.21 O +ATOM 6981 CB LEU C 78 -47.465 21.791 9.143 1.00 44.28 C +ATOM 6982 CG LEU C 78 -47.084 23.235 9.412 1.00 53.23 C +ATOM 6983 CD1 LEU C 78 -45.924 23.607 8.501 1.00 61.61 C +ATOM 6984 CD2 LEU C 78 -48.271 24.141 9.158 1.00 56.36 C +ATOM 6985 H LEU C 78 -49.832 22.231 8.188 1.00 15.00 H +ATOM 6986 N GLN C 79 -46.146 20.121 6.810 1.00 40.01 N +ATOM 6987 CA GLN C 79 -45.569 18.870 6.348 1.00 40.01 C +ATOM 6988 C GLN C 79 -44.061 18.907 6.576 1.00 48.59 C +ATOM 6989 O GLN C 79 -43.474 19.980 6.744 1.00 45.51 O +ATOM 6990 CB GLN C 79 -45.834 18.701 4.853 1.00 39.58 C +ATOM 6991 CG GLN C 79 -47.283 18.778 4.452 1.00 35.21 C +ATOM 6992 CD GLN C 79 -47.785 17.485 3.874 1.00 46.36 C +ATOM 6993 OE1 GLN C 79 -48.853 17.002 4.242 1.00 52.44 O +ATOM 6994 NE2 GLN C 79 -47.014 16.906 2.959 1.00 52.84 N +ATOM 6995 H GLN C 79 -45.574 20.918 6.798 1.00 15.00 H +ATOM 6996 HE21 GLN C 79 -47.359 16.062 2.606 1.00 15.00 H +ATOM 6997 HE22 GLN C 79 -46.180 17.323 2.685 1.00 15.00 H +ATOM 6998 N PRO C 80 -43.407 17.734 6.539 1.00 52.63 N +ATOM 6999 CA PRO C 80 -41.958 17.602 6.734 1.00 50.38 C +ATOM 7000 C PRO C 80 -41.159 18.527 5.821 1.00 45.33 C +ATOM 7001 O PRO C 80 -40.275 19.244 6.275 1.00 46.91 O +ATOM 7002 CB PRO C 80 -41.709 16.139 6.381 1.00 55.91 C +ATOM 7003 CG PRO C 80 -42.958 15.478 6.864 1.00 60.57 C +ATOM 7004 CD PRO C 80 -44.032 16.411 6.362 1.00 54.38 C +ATOM 7005 N GLU C 81 -41.526 18.557 4.545 1.00 40.99 N +ATOM 7006 CA GLU C 81 -40.847 19.391 3.559 1.00 40.90 C +ATOM 7007 C GLU C 81 -40.847 20.848 3.979 1.00 33.35 C +ATOM 7008 O GLU C 81 -40.228 21.682 3.327 1.00 38.56 O +ATOM 7009 CB GLU C 81 -41.532 19.294 2.185 1.00 52.05 C +ATOM 7010 CG GLU C 81 -41.698 17.884 1.625 1.00 67.56 C +ATOM 7011 CD GLU C 81 -42.875 17.135 2.242 1.00 78.58 C +ATOM 7012 OE1 GLU C 81 -43.982 17.713 2.325 1.00 74.95 O +ATOM 7013 OE2 GLU C 81 -42.692 15.966 2.644 1.00 81.56 O +ATOM 7014 H GLU C 81 -42.270 17.989 4.291 1.00 15.00 H +ATOM 7015 N ASP C 82 -41.567 21.162 5.047 1.00 26.05 N +ATOM 7016 CA ASP C 82 -41.649 22.530 5.499 1.00 24.93 C +ATOM 7017 C ASP C 82 -40.837 22.899 6.713 1.00 27.70 C +ATOM 7018 O ASP C 82 -41.006 23.988 7.267 1.00 27.35 O +ATOM 7019 CB ASP C 82 -43.102 22.936 5.652 1.00 25.77 C +ATOM 7020 CG ASP C 82 -43.819 22.997 4.316 1.00 40.17 C +ATOM 7021 OD1 ASP C 82 -43.128 23.128 3.265 1.00 33.42 O +ATOM 7022 OD2 ASP C 82 -45.069 22.911 4.320 1.00 42.17 O +ATOM 7023 H ASP C 82 -42.066 20.524 5.573 1.00 15.00 H +ATOM 7024 N ILE C 83 -39.941 22.007 7.126 1.00 30.12 N +ATOM 7025 CA ILE C 83 -39.079 22.304 8.263 1.00 26.71 C +ATOM 7026 C ILE C 83 -38.088 23.285 7.657 1.00 22.37 C +ATOM 7027 O ILE C 83 -37.374 22.938 6.714 1.00 28.46 O +ATOM 7028 CB ILE C 83 -38.269 21.076 8.748 1.00 24.57 C +ATOM 7029 CG1 ILE C 83 -39.180 19.874 8.982 1.00 34.03 C +ATOM 7030 CG2 ILE C 83 -37.548 21.412 10.046 1.00 14.81 C +ATOM 7031 CD1 ILE C 83 -38.424 18.576 9.183 1.00 34.49 C +ATOM 7032 H ILE C 83 -39.830 21.168 6.631 1.00 15.00 H +ATOM 7033 N ALA C 84 -38.070 24.512 8.156 1.00 11.38 N +ATOM 7034 CA ALA C 84 -37.156 25.504 7.632 1.00 11.20 C +ATOM 7035 C ALA C 84 -37.171 26.738 8.513 1.00 19.41 C +ATOM 7036 O ALA C 84 -37.744 26.723 9.597 1.00 27.74 O +ATOM 7037 CB ALA C 84 -37.580 25.864 6.236 1.00 9.73 C +ATOM 7038 H ALA C 84 -38.670 24.775 8.884 1.00 15.00 H +ATOM 7039 N THR C 85 -36.455 27.772 8.091 1.00 23.94 N +ATOM 7040 CA THR C 85 -36.455 29.050 8.790 1.00 21.67 C +ATOM 7041 C THR C 85 -37.147 29.919 7.738 1.00 23.39 C +ATOM 7042 O THR C 85 -36.900 29.749 6.540 1.00 26.05 O +ATOM 7043 CB THR C 85 -35.049 29.605 9.032 1.00 21.23 C +ATOM 7044 OG1 THR C 85 -34.253 28.642 9.735 1.00 35.54 O +ATOM 7045 CG2 THR C 85 -35.138 30.869 9.853 1.00 24.11 C +ATOM 7046 H THR C 85 -35.967 27.739 7.271 1.00 15.00 H +ATOM 7047 HG1 THR C 85 -34.117 27.893 9.148 1.00 15.00 H +ATOM 7048 N TYR C 86 -38.076 30.771 8.154 1.00 22.50 N +ATOM 7049 CA TYR C 86 -38.783 31.613 7.204 1.00 17.90 C +ATOM 7050 C TYR C 86 -38.549 33.113 7.452 1.00 24.33 C +ATOM 7051 O TYR C 86 -38.726 33.604 8.574 1.00 23.49 O +ATOM 7052 CB TYR C 86 -40.273 31.257 7.213 1.00 12.65 C +ATOM 7053 CG TYR C 86 -40.572 29.846 6.741 1.00 22.05 C +ATOM 7054 CD1 TYR C 86 -40.107 28.744 7.447 1.00 33.78 C +ATOM 7055 CD2 TYR C 86 -41.298 29.611 5.576 1.00 28.81 C +ATOM 7056 CE1 TYR C 86 -40.347 27.438 7.006 1.00 34.61 C +ATOM 7057 CE2 TYR C 86 -41.547 28.306 5.126 1.00 34.62 C +ATOM 7058 CZ TYR C 86 -41.059 27.227 5.849 1.00 34.71 C +ATOM 7059 OH TYR C 86 -41.231 25.938 5.404 1.00 30.17 O +ATOM 7060 H TYR C 86 -38.311 30.817 9.104 1.00 15.00 H +ATOM 7061 HH TYR C 86 -40.831 25.325 6.019 1.00 15.00 H +ATOM 7062 N TYR C 87 -38.094 33.817 6.414 1.00 25.78 N +ATOM 7063 CA TYR C 87 -37.828 35.255 6.495 1.00 24.38 C +ATOM 7064 C TYR C 87 -38.807 36.066 5.637 1.00 22.52 C +ATOM 7065 O TYR C 87 -39.310 35.591 4.613 1.00 19.22 O +ATOM 7066 CB TYR C 87 -36.416 35.584 6.012 1.00 21.21 C +ATOM 7067 CG TYR C 87 -35.273 34.863 6.689 1.00 13.62 C +ATOM 7068 CD1 TYR C 87 -34.641 35.409 7.803 1.00 18.23 C +ATOM 7069 CD2 TYR C 87 -34.756 33.682 6.154 1.00 22.48 C +ATOM 7070 CE1 TYR C 87 -33.512 34.801 8.367 1.00 23.22 C +ATOM 7071 CE2 TYR C 87 -33.628 33.063 6.703 1.00 18.89 C +ATOM 7072 CZ TYR C 87 -33.007 33.630 7.809 1.00 28.78 C +ATOM 7073 OH TYR C 87 -31.869 33.045 8.331 1.00 31.39 O +ATOM 7074 H TYR C 87 -37.993 33.368 5.546 1.00 15.00 H +ATOM 7075 HH TYR C 87 -31.513 33.595 9.039 1.00 15.00 H +ATOM 7076 N CYS C 88 -39.004 37.316 6.034 1.00 19.88 N +ATOM 7077 CA CYS C 88 -39.891 38.242 5.341 1.00 28.25 C +ATOM 7078 C CYS C 88 -39.108 39.511 5.052 1.00 29.63 C +ATOM 7079 O CYS C 88 -38.882 40.333 5.939 1.00 26.16 O +ATOM 7080 CB CYS C 88 -41.075 38.589 6.225 1.00 16.40 C +ATOM 7081 SG CYS C 88 -40.553 39.326 7.796 1.00 30.36 S +ATOM 7082 H CYS C 88 -38.566 37.631 6.854 1.00 15.00 H +ATOM 7083 N GLN C 89 -38.697 39.663 3.803 1.00 34.04 N +ATOM 7084 CA GLN C 89 -37.914 40.812 3.383 1.00 32.79 C +ATOM 7085 C GLN C 89 -38.825 41.846 2.740 1.00 31.22 C +ATOM 7086 O GLN C 89 -39.912 41.502 2.275 1.00 38.34 O +ATOM 7087 CB GLN C 89 -36.851 40.338 2.407 1.00 24.89 C +ATOM 7088 CG GLN C 89 -35.965 41.412 1.886 1.00 30.76 C +ATOM 7089 CD GLN C 89 -36.184 41.625 0.427 1.00 27.78 C +ATOM 7090 OE1 GLN C 89 -37.117 42.313 0.037 1.00 22.12 O +ATOM 7091 NE2 GLN C 89 -35.350 40.999 -0.400 1.00 18.40 N +ATOM 7092 H GLN C 89 -39.006 39.022 3.131 1.00 15.00 H +ATOM 7093 HE21 GLN C 89 -35.501 41.149 -1.356 1.00 15.00 H +ATOM 7094 HE22 GLN C 89 -34.643 40.429 -0.039 1.00 15.00 H +ATOM 7095 N GLN C 90 -38.417 43.109 2.740 1.00 20.31 N +ATOM 7096 CA GLN C 90 -39.248 44.145 2.139 1.00 24.53 C +ATOM 7097 C GLN C 90 -38.477 44.875 1.063 1.00 30.76 C +ATOM 7098 O GLN C 90 -37.240 44.840 1.054 1.00 34.77 O +ATOM 7099 CB GLN C 90 -39.748 45.124 3.199 1.00 23.14 C +ATOM 7100 CG GLN C 90 -38.652 45.911 3.905 1.00 30.80 C +ATOM 7101 CD GLN C 90 -38.135 47.064 3.087 1.00 25.59 C +ATOM 7102 OE1 GLN C 90 -38.794 47.506 2.147 1.00 40.24 O +ATOM 7103 NE2 GLN C 90 -36.962 47.566 3.437 1.00 27.51 N +ATOM 7104 H GLN C 90 -37.551 43.365 3.125 1.00 15.00 H +ATOM 7105 HE21 GLN C 90 -36.583 48.290 2.894 1.00 15.00 H +ATOM 7106 HE22 GLN C 90 -36.497 47.188 4.219 1.00 15.00 H +ATOM 7107 N GLY C 91 -39.201 45.602 0.213 1.00 31.98 N +ATOM 7108 CA GLY C 91 -38.552 46.315 -0.874 1.00 31.55 C +ATOM 7109 C GLY C 91 -39.088 47.674 -1.271 1.00 27.10 C +ATOM 7110 O GLY C 91 -38.864 48.109 -2.397 1.00 32.61 O +ATOM 7111 H GLY C 91 -40.173 45.650 0.325 1.00 15.00 H +ATOM 7112 N GLN C 92 -39.818 48.336 -0.379 1.00 20.97 N +ATOM 7113 CA GLN C 92 -40.340 49.666 -0.680 1.00 25.24 C +ATOM 7114 C GLN C 92 -39.138 50.553 -0.933 1.00 28.95 C +ATOM 7115 O GLN C 92 -38.919 51.010 -2.051 1.00 35.98 O +ATOM 7116 CB GLN C 92 -41.142 50.224 0.501 1.00 34.40 C +ATOM 7117 CG GLN C 92 -41.345 51.753 0.518 1.00 42.28 C +ATOM 7118 CD GLN C 92 -42.560 52.229 -0.258 1.00 52.80 C +ATOM 7119 OE1 GLN C 92 -42.553 53.312 -0.847 1.00 61.38 O +ATOM 7120 NE2 GLN C 92 -43.617 51.433 -0.248 1.00 57.70 N +ATOM 7121 H GLN C 92 -39.946 47.921 0.499 1.00 15.00 H +ATOM 7122 HE21 GLN C 92 -44.362 51.780 -0.778 1.00 15.00 H +ATOM 7123 HE22 GLN C 92 -43.609 50.591 0.236 1.00 15.00 H +ATOM 7124 N SER C 93 -38.314 50.716 0.098 1.00 30.94 N +ATOM 7125 CA SER C 93 -37.129 51.554 0.016 1.00 29.19 C +ATOM 7126 C SER C 93 -35.842 50.782 0.249 1.00 33.10 C +ATOM 7127 O SER C 93 -35.856 49.621 0.652 1.00 41.44 O +ATOM 7128 CB SER C 93 -37.237 52.674 1.038 1.00 35.40 C +ATOM 7129 OG SER C 93 -38.517 53.273 0.962 1.00 39.81 O +ATOM 7130 H SER C 93 -38.462 50.229 0.930 1.00 15.00 H +ATOM 7131 HG SER C 93 -38.673 53.643 0.086 1.00 15.00 H +ATOM 7132 N TYR C 94 -34.725 51.439 -0.027 1.00 38.29 N +ATOM 7133 CA TYR C 94 -33.414 50.845 0.160 1.00 40.45 C +ATOM 7134 C TYR C 94 -32.843 51.329 1.491 1.00 48.04 C +ATOM 7135 O TYR C 94 -33.128 52.449 1.929 1.00 53.73 O +ATOM 7136 CB TYR C 94 -32.482 51.262 -0.972 1.00 38.52 C +ATOM 7137 CG TYR C 94 -32.740 50.562 -2.278 1.00 45.41 C +ATOM 7138 CD1 TYR C 94 -32.178 49.316 -2.537 1.00 48.50 C +ATOM 7139 CD2 TYR C 94 -33.508 51.160 -3.275 1.00 53.29 C +ATOM 7140 CE1 TYR C 94 -32.366 48.681 -3.757 1.00 54.49 C +ATOM 7141 CE2 TYR C 94 -33.702 50.531 -4.506 1.00 61.56 C +ATOM 7142 CZ TYR C 94 -33.124 49.290 -4.738 1.00 57.75 C +ATOM 7143 OH TYR C 94 -33.282 48.661 -5.951 1.00 64.50 O +ATOM 7144 H TYR C 94 -34.760 52.365 -0.336 1.00 15.00 H +ATOM 7145 HH TYR C 94 -33.853 49.199 -6.509 1.00 15.00 H +ATOM 7146 N PRO C 95 -32.045 50.483 2.166 1.00 52.23 N +ATOM 7147 CA PRO C 95 -31.678 49.126 1.730 1.00 49.81 C +ATOM 7148 C PRO C 95 -32.776 48.087 1.967 1.00 48.27 C +ATOM 7149 O PRO C 95 -33.709 48.306 2.744 1.00 50.39 O +ATOM 7150 CB PRO C 95 -30.431 48.826 2.560 1.00 46.48 C +ATOM 7151 CG PRO C 95 -30.671 49.597 3.829 1.00 50.60 C +ATOM 7152 CD PRO C 95 -31.255 50.901 3.342 1.00 50.53 C +ATOM 7153 N LEU C 96 -32.687 46.970 1.264 1.00 40.95 N +ATOM 7154 CA LEU C 96 -33.678 45.936 1.444 1.00 33.57 C +ATOM 7155 C LEU C 96 -33.339 45.327 2.788 1.00 34.67 C +ATOM 7156 O LEU C 96 -32.215 44.864 3.003 1.00 42.85 O +ATOM 7157 CB LEU C 96 -33.541 44.870 0.368 1.00 32.05 C +ATOM 7158 CG LEU C 96 -33.404 45.296 -1.083 1.00 26.39 C +ATOM 7159 CD1 LEU C 96 -33.369 44.039 -1.935 1.00 37.82 C +ATOM 7160 CD2 LEU C 96 -34.553 46.182 -1.495 1.00 28.08 C +ATOM 7161 H LEU C 96 -31.938 46.818 0.657 1.00 15.00 H +ATOM 7162 N THR C 97 -34.265 45.393 3.725 1.00 20.30 N +ATOM 7163 CA THR C 97 -34.013 44.806 5.021 1.00 22.51 C +ATOM 7164 C THR C 97 -34.915 43.601 5.228 1.00 25.76 C +ATOM 7165 O THR C 97 -35.982 43.497 4.612 1.00 19.59 O +ATOM 7166 CB THR C 97 -34.231 45.809 6.118 1.00 25.33 C +ATOM 7167 OG1 THR C 97 -35.509 46.419 5.938 1.00 33.03 O +ATOM 7168 CG2 THR C 97 -33.159 46.865 6.070 1.00 27.82 C +ATOM 7169 H THR C 97 -35.121 45.840 3.562 1.00 15.00 H +ATOM 7170 HG1 THR C 97 -35.742 46.770 6.794 1.00 15.00 H +ATOM 7171 N PHE C 98 -34.456 42.671 6.063 1.00 33.29 N +ATOM 7172 CA PHE C 98 -35.193 41.442 6.359 1.00 27.55 C +ATOM 7173 C PHE C 98 -35.545 41.404 7.836 1.00 33.56 C +ATOM 7174 O PHE C 98 -35.094 42.239 8.634 1.00 34.35 O +ATOM 7175 CB PHE C 98 -34.343 40.198 6.077 1.00 18.26 C +ATOM 7176 CG PHE C 98 -33.692 40.175 4.727 1.00 11.81 C +ATOM 7177 CD1 PHE C 98 -32.843 41.203 4.321 1.00 17.43 C +ATOM 7178 CD2 PHE C 98 -33.902 39.097 3.867 1.00 18.34 C +ATOM 7179 CE1 PHE C 98 -32.209 41.166 3.076 1.00 23.27 C +ATOM 7180 CE2 PHE C 98 -33.275 39.039 2.618 1.00 20.95 C +ATOM 7181 CZ PHE C 98 -32.422 40.084 2.222 1.00 25.72 C +ATOM 7182 H PHE C 98 -33.611 42.803 6.535 1.00 15.00 H +ATOM 7183 N GLY C 99 -36.321 40.391 8.194 1.00 42.31 N +ATOM 7184 CA GLY C 99 -36.724 40.203 9.570 1.00 43.14 C +ATOM 7185 C GLY C 99 -35.846 39.125 10.167 1.00 47.12 C +ATOM 7186 O GLY C 99 -35.134 38.420 9.428 1.00 35.13 O +ATOM 7187 H GLY C 99 -36.621 39.743 7.529 1.00 15.00 H +ATOM 7188 N GLY C 100 -35.921 38.989 11.494 1.00 53.18 N +ATOM 7189 CA GLY C 100 -35.133 38.008 12.230 1.00 49.65 C +ATOM 7190 C GLY C 100 -35.246 36.570 11.760 1.00 44.99 C +ATOM 7191 O GLY C 100 -34.289 35.801 11.859 1.00 49.93 O +ATOM 7192 H GLY C 100 -36.513 39.588 11.982 1.00 15.00 H +ATOM 7193 N GLY C 101 -36.407 36.205 11.238 1.00 37.97 N +ATOM 7194 CA GLY C 101 -36.597 34.852 10.762 1.00 35.45 C +ATOM 7195 C GLY C 101 -37.530 34.127 11.691 1.00 34.05 C +ATOM 7196 O GLY C 101 -38.006 34.709 12.669 1.00 37.80 O +ATOM 7197 H GLY C 101 -37.158 36.820 11.160 1.00 15.00 H +ATOM 7198 N THR C 102 -37.791 32.861 11.392 1.00 31.71 N +ATOM 7199 CA THR C 102 -38.670 32.046 12.218 1.00 32.23 C +ATOM 7200 C THR C 102 -38.279 30.590 12.039 1.00 33.30 C +ATOM 7201 O THR C 102 -38.340 30.064 10.934 1.00 31.48 O +ATOM 7202 CB THR C 102 -40.139 32.237 11.809 1.00 29.19 C +ATOM 7203 OG1 THR C 102 -40.490 33.621 11.928 1.00 33.96 O +ATOM 7204 CG2 THR C 102 -41.055 31.414 12.687 1.00 33.39 C +ATOM 7205 H THR C 102 -37.410 32.470 10.587 1.00 15.00 H +ATOM 7206 HG1 THR C 102 -40.151 33.963 12.769 1.00 15.00 H +ATOM 7207 N LYS C 103 -37.784 29.967 13.100 1.00 39.11 N +ATOM 7208 CA LYS C 103 -37.398 28.569 13.006 1.00 42.63 C +ATOM 7209 C LYS C 103 -38.682 27.768 13.090 1.00 40.58 C +ATOM 7210 O LYS C 103 -39.662 28.235 13.665 1.00 35.77 O +ATOM 7211 CB LYS C 103 -36.437 28.189 14.139 1.00 46.90 C +ATOM 7212 CG LYS C 103 -36.001 26.715 14.148 1.00 61.79 C +ATOM 7213 CD LYS C 103 -35.169 26.339 12.927 1.00 69.49 C +ATOM 7214 CE LYS C 103 -34.913 24.831 12.842 1.00 77.45 C +ATOM 7215 NZ LYS C 103 -34.107 24.298 13.979 1.00 82.71 N +ATOM 7216 H LYS C 103 -37.706 30.442 13.953 1.00 15.00 H +ATOM 7217 HZ1 LYS C 103 -33.192 24.791 14.015 1.00 15.00 H +ATOM 7218 HZ2 LYS C 103 -34.622 24.459 14.868 1.00 15.00 H +ATOM 7219 HZ3 LYS C 103 -33.943 23.279 13.851 1.00 15.00 H +ATOM 7220 N LEU C 104 -38.684 26.586 12.491 1.00 50.78 N +ATOM 7221 CA LEU C 104 -39.857 25.727 12.510 1.00 61.04 C +ATOM 7222 C LEU C 104 -39.520 24.290 12.913 1.00 69.49 C +ATOM 7223 O LEU C 104 -38.574 23.683 12.388 1.00 68.61 O +ATOM 7224 CB LEU C 104 -40.539 25.725 11.144 1.00 56.87 C +ATOM 7225 CG LEU C 104 -41.918 25.070 11.177 1.00 61.02 C +ATOM 7226 CD1 LEU C 104 -42.854 25.924 12.017 1.00 61.61 C +ATOM 7227 CD2 LEU C 104 -42.465 24.907 9.776 1.00 66.60 C +ATOM 7228 H LEU C 104 -37.895 26.271 12.005 1.00 15.00 H +ATOM 7229 N GLU C 105 -40.304 23.755 13.847 1.00 72.83 N +ATOM 7230 CA GLU C 105 -40.129 22.394 14.331 1.00 71.52 C +ATOM 7231 C GLU C 105 -41.468 21.678 14.294 1.00 69.68 C +ATOM 7232 O GLU C 105 -42.517 22.279 14.521 1.00 59.61 O +ATOM 7233 CB GLU C 105 -39.569 22.389 15.750 1.00 84.06 C +ATOM 7234 CG GLU C 105 -38.169 22.982 15.867 1.00 95.72 C +ATOM 7235 CD GLU C 105 -37.628 22.968 17.290 1.00103.64 C +ATOM 7236 OE1 GLU C 105 -38.306 22.421 18.195 1.00107.21 O +ATOM 7237 OE2 GLU C 105 -36.506 23.484 17.495 1.00103.48 O +ATOM 7238 H GLU C 105 -41.032 24.292 14.229 1.00 15.00 H +ATOM 7239 N ILE C 106 -41.407 20.377 14.046 1.00 74.88 N +ATOM 7240 CA ILE C 106 -42.579 19.516 13.932 1.00 83.91 C +ATOM 7241 C ILE C 106 -42.785 18.639 15.171 1.00 83.53 C +ATOM 7242 O ILE C 106 -42.038 17.683 15.395 1.00 90.41 O +ATOM 7243 CB ILE C 106 -42.445 18.595 12.685 1.00 86.30 C +ATOM 7244 CG1 ILE C 106 -42.587 19.418 11.402 1.00 88.05 C +ATOM 7245 CG2 ILE C 106 -43.459 17.452 12.738 1.00 95.65 C +ATOM 7246 CD1 ILE C 106 -42.500 18.597 10.128 1.00 87.56 C +ATOM 7247 H ILE C 106 -40.554 19.932 14.070 1.00 15.00 H +ATOM 7248 N LYS C 107 -43.822 18.939 15.946 1.00 77.15 N +ATOM 7249 CA LYS C 107 -44.121 18.166 17.144 1.00 68.84 C +ATOM 7250 C LYS C 107 -44.560 16.754 16.792 1.00 63.04 C +ATOM 7251 O LYS C 107 -45.726 16.516 16.482 1.00 66.32 O +ATOM 7252 CB LYS C 107 -45.198 18.860 17.985 1.00 73.06 C +ATOM 7253 CG LYS C 107 -44.713 20.127 18.676 1.00 84.73 C +ATOM 7254 CD LYS C 107 -45.780 20.770 19.571 1.00 97.60 C +ATOM 7255 CE LYS C 107 -46.902 21.432 18.765 1.00106.74 C +ATOM 7256 NZ LYS C 107 -47.784 22.333 19.581 1.00107.34 N +ATOM 7257 H LYS C 107 -44.390 19.692 15.689 1.00 15.00 H +ATOM 7258 HZ1 LYS C 107 -47.211 23.090 20.005 1.00 15.00 H +ATOM 7259 HZ2 LYS C 107 -48.525 22.750 18.984 1.00 15.00 H +ATOM 7260 HZ3 LYS C 107 -48.227 21.775 20.341 1.00 15.00 H +ATOM 7261 N ARG C 108 -43.604 15.835 16.760 1.00 53.10 N +ATOM 7262 CA ARG C 108 -43.906 14.449 16.467 1.00 48.75 C +ATOM 7263 C ARG C 108 -43.785 13.593 17.733 1.00 54.36 C +ATOM 7264 O ARG C 108 -43.453 14.101 18.808 1.00 57.79 O +ATOM 7265 CB ARG C 108 -43.059 13.921 15.316 1.00 38.34 C +ATOM 7266 CG ARG C 108 -41.586 14.077 15.506 1.00 43.23 C +ATOM 7267 CD ARG C 108 -40.878 12.839 15.047 1.00 35.02 C +ATOM 7268 NE ARG C 108 -41.208 11.714 15.908 1.00 43.90 N +ATOM 7269 CZ ARG C 108 -40.766 10.472 15.726 1.00 52.66 C +ATOM 7270 NH1 ARG C 108 -39.994 10.182 14.683 1.00 40.64 N +ATOM 7271 NH2 ARG C 108 -41.116 9.510 16.576 1.00 53.70 N +ATOM 7272 H ARG C 108 -42.679 16.107 16.943 1.00 15.00 H +ATOM 7273 HE ARG C 108 -41.807 11.884 16.660 1.00 15.00 H +ATOM 7274 HH11 ARG C 108 -39.743 10.892 14.026 1.00 15.00 H +ATOM 7275 HH12 ARG C 108 -39.671 9.244 14.553 1.00 15.00 H +ATOM 7276 HH21 ARG C 108 -41.711 9.722 17.350 1.00 15.00 H +ATOM 7277 HH22 ARG C 108 -40.788 8.575 16.441 1.00 15.00 H +ATOM 7278 N ALA C 109 -44.141 12.318 17.625 1.00 59.98 N +ATOM 7279 CA ALA C 109 -44.106 11.407 18.769 1.00 64.85 C +ATOM 7280 C ALA C 109 -42.698 11.306 19.316 1.00 65.16 C +ATOM 7281 O ALA C 109 -41.740 11.366 18.553 1.00 68.61 O +ATOM 7282 CB ALA C 109 -44.604 10.028 18.358 1.00 67.04 C +ATOM 7283 H ALA C 109 -44.408 11.976 16.753 1.00 15.00 H +ATOM 7284 N ASP C 110 -42.575 11.153 20.631 1.00 60.33 N +ATOM 7285 CA ASP C 110 -41.264 11.039 21.270 1.00 53.94 C +ATOM 7286 C ASP C 110 -40.498 9.853 20.685 1.00 48.00 C +ATOM 7287 O ASP C 110 -41.106 8.880 20.231 1.00 42.76 O +ATOM 7288 CB ASP C 110 -41.419 10.852 22.784 1.00 55.51 C +ATOM 7289 CG ASP C 110 -42.384 11.849 23.409 1.00 57.41 C +ATOM 7290 OD1 ASP C 110 -42.498 12.994 22.914 1.00 56.90 O +ATOM 7291 OD2 ASP C 110 -43.037 11.476 24.405 1.00 60.84 O +ATOM 7292 H ASP C 110 -43.379 11.105 21.176 1.00 15.00 H +ATOM 7293 N ALA C 111 -39.171 9.939 20.697 1.00 49.95 N +ATOM 7294 CA ALA C 111 -38.323 8.876 20.155 1.00 55.47 C +ATOM 7295 C ALA C 111 -37.072 8.680 21.000 1.00 56.62 C +ATOM 7296 O ALA C 111 -36.470 9.646 21.479 1.00 58.06 O +ATOM 7297 CB ALA C 111 -37.934 9.190 18.713 1.00 56.70 C +ATOM 7298 H ALA C 111 -38.745 10.739 21.076 1.00 15.00 H +ATOM 7299 N ALA C 112 -36.675 7.423 21.157 1.00 55.14 N +ATOM 7300 CA ALA C 112 -35.510 7.065 21.952 1.00 52.84 C +ATOM 7301 C ALA C 112 -34.178 7.190 21.210 1.00 48.47 C +ATOM 7302 O ALA C 112 -33.937 6.515 20.199 1.00 52.01 O +ATOM 7303 CB ALA C 112 -35.678 5.651 22.498 1.00 58.67 C +ATOM 7304 H ALA C 112 -37.159 6.712 20.694 1.00 15.00 H +ATOM 7305 N PRO C 113 -33.280 8.033 21.736 1.00 39.77 N +ATOM 7306 CA PRO C 113 -31.952 8.284 21.175 1.00 37.57 C +ATOM 7307 C PRO C 113 -31.082 7.046 21.148 1.00 35.02 C +ATOM 7308 O PRO C 113 -30.889 6.396 22.168 1.00 38.22 O +ATOM 7309 CB PRO C 113 -31.364 9.318 22.139 1.00 35.22 C +ATOM 7310 CG PRO C 113 -32.063 9.038 23.430 1.00 34.01 C +ATOM 7311 CD PRO C 113 -33.479 8.812 22.970 1.00 36.38 C +ATOM 7312 N THR C 114 -30.556 6.720 19.980 1.00 39.11 N +ATOM 7313 CA THR C 114 -29.670 5.580 19.850 1.00 36.89 C +ATOM 7314 C THR C 114 -28.256 6.126 20.125 1.00 38.54 C +ATOM 7315 O THR C 114 -27.725 6.915 19.336 1.00 48.36 O +ATOM 7316 CB THR C 114 -29.799 4.984 18.443 1.00 38.91 C +ATOM 7317 OG1 THR C 114 -31.175 4.649 18.202 1.00 48.67 O +ATOM 7318 CG2 THR C 114 -28.937 3.738 18.294 1.00 45.86 C +ATOM 7319 H THR C 114 -30.767 7.282 19.205 1.00 15.00 H +ATOM 7320 HG1 THR C 114 -31.772 5.361 18.472 1.00 15.00 H +ATOM 7321 N VAL C 115 -27.692 5.785 21.284 1.00 32.84 N +ATOM 7322 CA VAL C 115 -26.356 6.261 21.661 1.00 36.58 C +ATOM 7323 C VAL C 115 -25.218 5.346 21.192 1.00 41.16 C +ATOM 7324 O VAL C 115 -25.417 4.150 20.962 1.00 46.40 O +ATOM 7325 CB VAL C 115 -26.234 6.463 23.193 1.00 35.11 C +ATOM 7326 CG1 VAL C 115 -27.390 7.294 23.717 1.00 24.28 C +ATOM 7327 CG2 VAL C 115 -26.190 5.131 23.904 1.00 46.52 C +ATOM 7328 H VAL C 115 -28.180 5.192 21.891 1.00 15.00 H +ATOM 7329 N SER C 116 -24.023 5.909 21.061 1.00 40.77 N +ATOM 7330 CA SER C 116 -22.874 5.134 20.619 1.00 43.17 C +ATOM 7331 C SER C 116 -21.573 5.825 21.005 1.00 43.75 C +ATOM 7332 O SER C 116 -21.348 6.991 20.672 1.00 39.65 O +ATOM 7333 CB SER C 116 -22.948 4.904 19.109 1.00 45.08 C +ATOM 7334 OG SER C 116 -23.644 5.961 18.467 1.00 39.25 O +ATOM 7335 H SER C 116 -23.902 6.869 21.225 1.00 15.00 H +ATOM 7336 HG SER C 116 -24.528 6.078 18.831 1.00 15.00 H +ATOM 7337 N ILE C 117 -20.742 5.109 21.757 1.00 42.88 N +ATOM 7338 CA ILE C 117 -19.463 5.633 22.224 1.00 35.27 C +ATOM 7339 C ILE C 117 -18.374 5.156 21.289 1.00 33.94 C +ATOM 7340 O ILE C 117 -18.439 4.037 20.758 1.00 22.37 O +ATOM 7341 CB ILE C 117 -19.117 5.125 23.640 1.00 32.11 C +ATOM 7342 CG1 ILE C 117 -17.830 5.768 24.159 1.00 27.73 C +ATOM 7343 CG2 ILE C 117 -18.928 3.635 23.620 1.00 39.08 C +ATOM 7344 CD1 ILE C 117 -18.062 7.020 24.929 1.00 27.55 C +ATOM 7345 H ILE C 117 -20.969 4.183 21.978 1.00 15.00 H +ATOM 7346 N PHE C 118 -17.371 6.009 21.115 1.00 33.12 N +ATOM 7347 CA PHE C 118 -16.249 5.719 20.252 1.00 33.42 C +ATOM 7348 C PHE C 118 -14.963 6.114 20.934 1.00 38.70 C +ATOM 7349 O PHE C 118 -14.774 7.279 21.297 1.00 40.24 O +ATOM 7350 CB PHE C 118 -16.378 6.480 18.933 1.00 34.99 C +ATOM 7351 CG PHE C 118 -17.489 5.981 18.053 1.00 37.88 C +ATOM 7352 CD1 PHE C 118 -18.794 6.415 18.244 1.00 37.76 C +ATOM 7353 CD2 PHE C 118 -17.235 5.043 17.059 1.00 35.40 C +ATOM 7354 CE1 PHE C 118 -19.829 5.919 17.468 1.00 31.84 C +ATOM 7355 CE2 PHE C 118 -18.264 4.543 16.281 1.00 29.60 C +ATOM 7356 CZ PHE C 118 -19.566 4.983 16.488 1.00 36.86 C +ATOM 7357 H PHE C 118 -17.379 6.872 21.574 1.00 15.00 H +ATOM 7358 N PRO C 119 -14.104 5.127 21.216 1.00 44.52 N +ATOM 7359 CA PRO C 119 -12.810 5.346 21.864 1.00 45.41 C +ATOM 7360 C PRO C 119 -11.921 6.010 20.819 1.00 44.87 C +ATOM 7361 O PRO C 119 -12.163 5.870 19.619 1.00 46.15 O +ATOM 7362 CB PRO C 119 -12.330 3.925 22.152 1.00 41.67 C +ATOM 7363 CG PRO C 119 -13.585 3.139 22.224 1.00 48.70 C +ATOM 7364 CD PRO C 119 -14.368 3.690 21.077 1.00 46.22 C +ATOM 7365 N PRO C 120 -10.893 6.750 21.257 1.00 43.02 N +ATOM 7366 CA PRO C 120 -9.967 7.439 20.353 1.00 43.68 C +ATOM 7367 C PRO C 120 -9.428 6.490 19.304 1.00 44.22 C +ATOM 7368 O PRO C 120 -9.377 5.287 19.532 1.00 50.88 O +ATOM 7369 CB PRO C 120 -8.847 7.868 21.293 1.00 31.10 C +ATOM 7370 CG PRO C 120 -9.578 8.162 22.542 1.00 37.73 C +ATOM 7371 CD PRO C 120 -10.526 6.996 22.660 1.00 39.73 C +ATOM 7372 N SER C 121 -9.027 7.016 18.155 1.00 43.20 N +ATOM 7373 CA SER C 121 -8.480 6.156 17.115 1.00 42.85 C +ATOM 7374 C SER C 121 -6.995 5.993 17.384 1.00 43.85 C +ATOM 7375 O SER C 121 -6.344 6.923 17.855 1.00 42.84 O +ATOM 7376 CB SER C 121 -8.680 6.778 15.738 1.00 40.62 C +ATOM 7377 OG SER C 121 -7.947 7.986 15.627 1.00 37.66 O +ATOM 7378 H SER C 121 -9.105 7.968 17.983 1.00 15.00 H +ATOM 7379 HG SER C 121 -8.158 8.349 14.758 1.00 15.00 H +ATOM 7380 N SER C 122 -6.451 4.823 17.075 1.00 50.56 N +ATOM 7381 CA SER C 122 -5.026 4.579 17.278 1.00 54.70 C +ATOM 7382 C SER C 122 -4.255 5.641 16.514 1.00 54.28 C +ATOM 7383 O SER C 122 -3.215 6.117 16.964 1.00 54.46 O +ATOM 7384 CB SER C 122 -4.630 3.192 16.765 1.00 56.34 C +ATOM 7385 OG SER C 122 -4.901 3.059 15.377 1.00 66.44 O +ATOM 7386 H SER C 122 -7.003 4.103 16.707 1.00 15.00 H +ATOM 7387 HG SER C 122 -4.569 2.208 15.064 1.00 15.00 H +ATOM 7388 N GLU C 123 -4.812 6.035 15.375 1.00 57.43 N +ATOM 7389 CA GLU C 123 -4.214 7.047 14.517 1.00 62.98 C +ATOM 7390 C GLU C 123 -4.069 8.368 15.270 1.00 59.24 C +ATOM 7391 O GLU C 123 -3.056 9.058 15.152 1.00 60.81 O +ATOM 7392 CB GLU C 123 -5.083 7.236 13.270 1.00 73.41 C +ATOM 7393 CG GLU C 123 -5.497 5.911 12.605 1.00 91.79 C +ATOM 7394 CD GLU C 123 -6.129 6.077 11.221 1.00103.34 C +ATOM 7395 OE1 GLU C 123 -6.134 7.208 10.683 1.00108.98 O +ATOM 7396 OE2 GLU C 123 -6.615 5.065 10.663 1.00107.98 O +ATOM 7397 H GLU C 123 -5.632 5.582 15.105 1.00 15.00 H +ATOM 7398 N GLN C 124 -5.072 8.691 16.078 1.00 54.49 N +ATOM 7399 CA GLN C 124 -5.070 9.920 16.858 1.00 42.76 C +ATOM 7400 C GLN C 124 -4.096 9.811 18.014 1.00 48.33 C +ATOM 7401 O GLN C 124 -3.330 10.737 18.264 1.00 49.41 O +ATOM 7402 CB GLN C 124 -6.467 10.187 17.387 1.00 26.80 C +ATOM 7403 CG GLN C 124 -6.622 11.462 18.158 1.00 10.91 C +ATOM 7404 CD GLN C 124 -8.042 11.650 18.644 1.00 26.91 C +ATOM 7405 OE1 GLN C 124 -8.400 12.717 19.143 1.00 29.35 O +ATOM 7406 NE2 GLN C 124 -8.863 10.603 18.521 1.00 33.85 N +ATOM 7407 H GLN C 124 -5.838 8.087 16.172 1.00 15.00 H +ATOM 7408 HE21 GLN C 124 -9.790 10.754 18.799 1.00 15.00 H +ATOM 7409 HE22 GLN C 124 -8.562 9.750 18.163 1.00 15.00 H +ATOM 7410 N LEU C 125 -4.119 8.672 18.705 1.00 54.47 N +ATOM 7411 CA LEU C 125 -3.233 8.433 19.850 1.00 54.11 C +ATOM 7412 C LEU C 125 -1.805 8.725 19.434 1.00 51.38 C +ATOM 7413 O LEU C 125 -1.116 9.523 20.065 1.00 48.78 O +ATOM 7414 CB LEU C 125 -3.353 6.988 20.331 1.00 58.53 C +ATOM 7415 CG LEU C 125 -4.751 6.585 20.814 1.00 67.46 C +ATOM 7416 CD1 LEU C 125 -4.790 5.095 21.153 1.00 72.45 C +ATOM 7417 CD2 LEU C 125 -5.156 7.433 22.016 1.00 65.22 C +ATOM 7418 H LEU C 125 -4.760 7.980 18.435 1.00 15.00 H +ATOM 7419 N THR C 126 -1.398 8.118 18.327 1.00 46.98 N +ATOM 7420 CA THR C 126 -0.070 8.318 17.769 1.00 50.26 C +ATOM 7421 C THR C 126 0.245 9.809 17.729 1.00 53.71 C +ATOM 7422 O THR C 126 1.345 10.232 18.063 1.00 56.46 O +ATOM 7423 CB THR C 126 -0.034 7.806 16.326 1.00 51.85 C +ATOM 7424 OG1 THR C 126 -0.451 6.435 16.300 1.00 54.94 O +ATOM 7425 CG2 THR C 126 1.364 7.947 15.724 1.00 54.29 C +ATOM 7426 H THR C 126 -2.010 7.505 17.870 1.00 15.00 H +ATOM 7427 HG1 THR C 126 -1.377 6.344 16.541 1.00 15.00 H +ATOM 7428 N SER C 127 -0.758 10.596 17.359 1.00 58.39 N +ATOM 7429 CA SER C 127 -0.630 12.041 17.248 1.00 60.62 C +ATOM 7430 C SER C 127 -0.379 12.756 18.580 1.00 59.89 C +ATOM 7431 O SER C 127 0.303 13.778 18.610 1.00 64.55 O +ATOM 7432 CB SER C 127 -1.878 12.606 16.567 1.00 65.88 C +ATOM 7433 OG SER C 127 -2.220 11.841 15.415 1.00 75.24 O +ATOM 7434 H SER C 127 -1.631 10.207 17.174 1.00 15.00 H +ATOM 7435 HG SER C 127 -2.407 10.914 15.603 1.00 15.00 H +ATOM 7436 N GLY C 128 -0.957 12.251 19.667 1.00 54.80 N +ATOM 7437 CA GLY C 128 -0.750 12.877 20.962 1.00 46.51 C +ATOM 7438 C GLY C 128 -1.979 13.427 21.674 1.00 48.87 C +ATOM 7439 O GLY C 128 -1.856 14.155 22.665 1.00 53.48 O +ATOM 7440 H GLY C 128 -1.509 11.442 19.588 1.00 15.00 H +ATOM 7441 N GLY C 129 -3.167 13.059 21.208 1.00 45.34 N +ATOM 7442 CA GLY C 129 -4.388 13.538 21.837 1.00 37.23 C +ATOM 7443 C GLY C 129 -5.426 12.437 21.853 1.00 32.76 C +ATOM 7444 O GLY C 129 -5.250 11.413 21.184 1.00 25.46 O +ATOM 7445 H GLY C 129 -3.251 12.446 20.446 1.00 15.00 H +ATOM 7446 N ALA C 130 -6.522 12.643 22.576 1.00 23.41 N +ATOM 7447 CA ALA C 130 -7.561 11.629 22.657 1.00 18.11 C +ATOM 7448 C ALA C 130 -8.932 12.250 22.633 1.00 26.87 C +ATOM 7449 O ALA C 130 -9.227 13.143 23.417 1.00 32.41 O +ATOM 7450 CB ALA C 130 -7.402 10.822 23.909 1.00 31.34 C +ATOM 7451 H ALA C 130 -6.669 13.499 23.011 1.00 15.00 H +ATOM 7452 N SER C 131 -9.783 11.768 21.740 1.00 25.25 N +ATOM 7453 CA SER C 131 -11.128 12.288 21.647 1.00 23.45 C +ATOM 7454 C SER C 131 -12.074 11.127 21.727 1.00 24.80 C +ATOM 7455 O SER C 131 -11.982 10.195 20.927 1.00 26.39 O +ATOM 7456 CB SER C 131 -11.334 13.007 20.320 1.00 22.38 C +ATOM 7457 OG SER C 131 -10.467 14.114 20.199 1.00 21.09 O +ATOM 7458 H SER C 131 -9.509 11.066 21.124 1.00 15.00 H +ATOM 7459 HG SER C 131 -9.565 13.792 20.085 1.00 15.00 H +ATOM 7460 N VAL C 132 -12.909 11.128 22.755 1.00 22.97 N +ATOM 7461 CA VAL C 132 -13.892 10.070 22.909 1.00 26.66 C +ATOM 7462 C VAL C 132 -15.148 10.719 22.389 1.00 29.42 C +ATOM 7463 O VAL C 132 -15.533 11.805 22.840 1.00 30.06 O +ATOM 7464 CB VAL C 132 -14.108 9.653 24.375 1.00 23.81 C +ATOM 7465 CG1 VAL C 132 -14.867 8.332 24.432 1.00 11.85 C +ATOM 7466 CG2 VAL C 132 -12.792 9.538 25.095 1.00 21.31 C +ATOM 7467 H VAL C 132 -12.901 11.848 23.409 1.00 15.00 H +ATOM 7468 N VAL C 133 -15.772 10.069 21.424 1.00 32.73 N +ATOM 7469 CA VAL C 133 -16.956 10.620 20.811 1.00 35.74 C +ATOM 7470 C VAL C 133 -18.162 9.798 21.141 1.00 34.85 C +ATOM 7471 O VAL C 133 -18.111 8.572 21.166 1.00 35.19 O +ATOM 7472 CB VAL C 133 -16.819 10.625 19.294 1.00 46.47 C +ATOM 7473 CG1 VAL C 133 -17.850 11.551 18.684 1.00 55.11 C +ATOM 7474 CG2 VAL C 133 -15.411 11.021 18.893 1.00 52.06 C +ATOM 7475 H VAL C 133 -15.435 9.193 21.139 1.00 15.00 H +ATOM 7476 N CYS C 134 -19.274 10.479 21.315 1.00 34.90 N +ATOM 7477 CA CYS C 134 -20.501 9.800 21.634 1.00 38.25 C +ATOM 7478 C CYS C 134 -21.607 10.350 20.735 1.00 38.15 C +ATOM 7479 O CYS C 134 -21.806 11.568 20.668 1.00 44.69 O +ATOM 7480 CB CYS C 134 -20.812 10.036 23.106 1.00 37.21 C +ATOM 7481 SG CYS C 134 -22.186 9.035 23.733 1.00 38.37 S +ATOM 7482 H CYS C 134 -19.292 11.457 21.253 1.00 15.00 H +ATOM 7483 N PHE C 135 -22.293 9.464 20.013 1.00 28.11 N +ATOM 7484 CA PHE C 135 -23.365 9.875 19.111 1.00 19.17 C +ATOM 7485 C PHE C 135 -24.758 9.555 19.618 1.00 20.22 C +ATOM 7486 O PHE C 135 -25.149 8.394 19.685 1.00 23.91 O +ATOM 7487 CB PHE C 135 -23.208 9.219 17.736 1.00 11.84 C +ATOM 7488 CG PHE C 135 -21.990 9.650 16.988 1.00 16.53 C +ATOM 7489 CD1 PHE C 135 -21.725 10.996 16.770 1.00 15.48 C +ATOM 7490 CD2 PHE C 135 -21.082 8.713 16.531 1.00 20.78 C +ATOM 7491 CE1 PHE C 135 -20.572 11.397 16.113 1.00 21.11 C +ATOM 7492 CE2 PHE C 135 -19.920 9.107 15.870 1.00 30.83 C +ATOM 7493 CZ PHE C 135 -19.664 10.450 15.663 1.00 22.34 C +ATOM 7494 H PHE C 135 -22.079 8.517 20.059 1.00 15.00 H +ATOM 7495 N LEU C 136 -25.526 10.582 19.936 1.00 13.57 N +ATOM 7496 CA LEU C 136 -26.885 10.377 20.392 1.00 24.45 C +ATOM 7497 C LEU C 136 -27.818 10.651 19.200 1.00 33.20 C +ATOM 7498 O LEU C 136 -28.391 11.736 19.078 1.00 39.91 O +ATOM 7499 CB LEU C 136 -27.190 11.304 21.560 1.00 30.98 C +ATOM 7500 CG LEU C 136 -26.265 11.161 22.773 1.00 43.50 C +ATOM 7501 CD1 LEU C 136 -24.832 11.606 22.455 1.00 42.82 C +ATOM 7502 CD2 LEU C 136 -26.829 11.996 23.908 1.00 49.51 C +ATOM 7503 H LEU C 136 -25.180 11.490 19.816 1.00 15.00 H +ATOM 7504 N ASN C 137 -27.945 9.662 18.317 1.00 30.30 N +ATOM 7505 CA ASN C 137 -28.763 9.768 17.112 1.00 28.13 C +ATOM 7506 C ASN C 137 -30.279 9.789 17.278 1.00 39.07 C +ATOM 7507 O ASN C 137 -30.818 9.515 18.349 1.00 36.23 O +ATOM 7508 CB ASN C 137 -28.424 8.633 16.154 1.00 32.57 C +ATOM 7509 CG ASN C 137 -26.997 8.696 15.649 1.00 45.41 C +ATOM 7510 OD1 ASN C 137 -26.394 9.769 15.583 1.00 46.36 O +ATOM 7511 ND2 ASN C 137 -26.454 7.541 15.266 1.00 47.98 N +ATOM 7512 H ASN C 137 -27.467 8.828 18.520 1.00 15.00 H +ATOM 7513 HD21 ASN C 137 -25.528 7.562 14.945 1.00 15.00 H +ATOM 7514 HD22 ASN C 137 -26.986 6.725 15.328 1.00 15.00 H +ATOM 7515 N ASN C 138 -30.936 10.067 16.151 1.00 46.14 N +ATOM 7516 CA ASN C 138 -32.391 10.152 15.976 1.00 42.63 C +ATOM 7517 C ASN C 138 -33.253 10.144 17.214 1.00 37.77 C +ATOM 7518 O ASN C 138 -33.654 9.087 17.682 1.00 48.15 O +ATOM 7519 CB ASN C 138 -32.880 9.073 15.010 1.00 45.00 C +ATOM 7520 CG ASN C 138 -32.064 9.024 13.741 1.00 52.35 C +ATOM 7521 OD1 ASN C 138 -31.921 10.029 13.037 1.00 58.64 O +ATOM 7522 ND2 ASN C 138 -31.487 7.863 13.457 1.00 52.63 N +ATOM 7523 H ASN C 138 -30.382 10.287 15.379 1.00 15.00 H +ATOM 7524 HD21 ASN C 138 -30.972 7.772 12.632 1.00 15.00 H +ATOM 7525 HD22 ASN C 138 -31.622 7.125 14.091 1.00 15.00 H +ATOM 7526 N PHE C 139 -33.590 11.332 17.701 1.00 30.67 N +ATOM 7527 CA PHE C 139 -34.422 11.456 18.883 1.00 26.28 C +ATOM 7528 C PHE C 139 -35.269 12.713 18.879 1.00 24.31 C +ATOM 7529 O PHE C 139 -34.985 13.646 18.140 1.00 30.30 O +ATOM 7530 CB PHE C 139 -33.551 11.428 20.142 1.00 21.08 C +ATOM 7531 CG PHE C 139 -32.623 12.612 20.294 1.00 20.49 C +ATOM 7532 CD1 PHE C 139 -33.038 13.755 20.990 1.00 21.12 C +ATOM 7533 CD2 PHE C 139 -31.297 12.537 19.862 1.00 22.01 C +ATOM 7534 CE1 PHE C 139 -32.141 14.800 21.264 1.00 20.56 C +ATOM 7535 CE2 PHE C 139 -30.387 13.575 20.133 1.00 21.05 C +ATOM 7536 CZ PHE C 139 -30.810 14.704 20.836 1.00 23.71 C +ATOM 7537 H PHE C 139 -33.248 12.146 17.279 1.00 15.00 H +ATOM 7538 N TYR C 140 -36.280 12.740 19.743 1.00 33.81 N +ATOM 7539 CA TYR C 140 -37.184 13.884 19.896 1.00 36.95 C +ATOM 7540 C TYR C 140 -37.848 13.726 21.255 1.00 35.29 C +ATOM 7541 O TYR C 140 -38.154 12.601 21.664 1.00 35.24 O +ATOM 7542 CB TYR C 140 -38.265 13.878 18.804 1.00 50.63 C +ATOM 7543 CG TYR C 140 -39.078 15.157 18.713 1.00 57.73 C +ATOM 7544 CD1 TYR C 140 -40.233 15.340 19.477 1.00 62.84 C +ATOM 7545 CD2 TYR C 140 -38.668 16.200 17.887 1.00 64.75 C +ATOM 7546 CE1 TYR C 140 -40.953 16.542 19.423 1.00 68.63 C +ATOM 7547 CE2 TYR C 140 -39.377 17.399 17.825 1.00 71.36 C +ATOM 7548 CZ TYR C 140 -40.514 17.566 18.595 1.00 70.38 C +ATOM 7549 OH TYR C 140 -41.186 18.767 18.541 1.00 77.19 O +ATOM 7550 H TYR C 140 -36.448 11.957 20.312 1.00 15.00 H +ATOM 7551 HH TYR C 140 -40.752 19.296 17.859 1.00 15.00 H +ATOM 7552 N PRO C 141 -38.047 14.830 21.996 1.00 41.05 N +ATOM 7553 CA PRO C 141 -37.713 16.231 21.708 1.00 51.37 C +ATOM 7554 C PRO C 141 -36.220 16.520 21.682 1.00 57.84 C +ATOM 7555 O PRO C 141 -35.401 15.643 21.953 1.00 59.85 O +ATOM 7556 CB PRO C 141 -38.371 16.986 22.867 1.00 47.76 C +ATOM 7557 CG PRO C 141 -39.530 16.125 23.208 1.00 50.75 C +ATOM 7558 CD PRO C 141 -38.916 14.754 23.182 1.00 44.52 C +ATOM 7559 N LYS C 142 -35.889 17.772 21.372 1.00 65.52 N +ATOM 7560 CA LYS C 142 -34.505 18.230 21.310 1.00 66.48 C +ATOM 7561 C LYS C 142 -33.888 18.249 22.700 1.00 61.87 C +ATOM 7562 O LYS C 142 -32.679 18.081 22.850 1.00 58.45 O +ATOM 7563 CB LYS C 142 -34.426 19.642 20.704 1.00 76.68 C +ATOM 7564 CG LYS C 142 -35.080 20.759 21.547 1.00 82.36 C +ATOM 7565 CD LYS C 142 -34.950 22.148 20.889 1.00 89.56 C +ATOM 7566 CE LYS C 142 -33.539 22.764 20.999 1.00 92.85 C +ATOM 7567 NZ LYS C 142 -33.337 23.644 22.199 1.00 84.87 N +ATOM 7568 H LYS C 142 -36.594 18.410 21.147 1.00 15.00 H +ATOM 7569 HZ1 LYS C 142 -33.490 23.097 23.070 1.00 15.00 H +ATOM 7570 HZ2 LYS C 142 -32.364 24.014 22.189 1.00 15.00 H +ATOM 7571 HZ3 LYS C 142 -34.007 24.439 22.161 1.00 15.00 H +ATOM 7572 N ASP C 143 -34.722 18.500 23.705 1.00 59.33 N +ATOM 7573 CA ASP C 143 -34.261 18.552 25.083 1.00 58.30 C +ATOM 7574 C ASP C 143 -33.669 17.221 25.506 1.00 54.09 C +ATOM 7575 O ASP C 143 -34.363 16.200 25.545 1.00 59.32 O +ATOM 7576 CB ASP C 143 -35.408 18.918 26.026 1.00 70.40 C +ATOM 7577 CG ASP C 143 -35.828 20.372 25.905 1.00 83.12 C +ATOM 7578 OD1 ASP C 143 -34.942 21.253 25.811 1.00 92.62 O +ATOM 7579 OD2 ASP C 143 -37.050 20.633 25.924 1.00 90.98 O +ATOM 7580 H ASP C 143 -35.669 18.626 23.524 1.00 15.00 H +ATOM 7581 N ILE C 144 -32.375 17.239 25.788 1.00 43.84 N +ATOM 7582 CA ILE C 144 -31.641 16.064 26.229 1.00 42.02 C +ATOM 7583 C ILE C 144 -30.381 16.611 26.884 1.00 54.38 C +ATOM 7584 O ILE C 144 -29.958 17.727 26.575 1.00 66.71 O +ATOM 7585 CB ILE C 144 -31.254 15.132 25.032 1.00 27.01 C +ATOM 7586 CG1 ILE C 144 -30.456 13.912 25.508 1.00 19.82 C +ATOM 7587 CG2 ILE C 144 -30.424 15.878 24.027 1.00 37.06 C +ATOM 7588 CD1 ILE C 144 -29.998 13.000 24.385 1.00 11.66 C +ATOM 7589 H ILE C 144 -31.858 18.066 25.685 1.00 15.00 H +ATOM 7590 N ASN C 145 -29.839 15.891 27.859 1.00 59.91 N +ATOM 7591 CA ASN C 145 -28.608 16.328 28.503 1.00 60.59 C +ATOM 7592 C ASN C 145 -27.691 15.136 28.616 1.00 56.43 C +ATOM 7593 O ASN C 145 -28.092 14.069 29.077 1.00 59.98 O +ATOM 7594 CB ASN C 145 -28.836 16.946 29.887 1.00 67.55 C +ATOM 7595 CG ASN C 145 -27.536 17.474 30.508 1.00 80.63 C +ATOM 7596 OD1 ASN C 145 -27.191 18.650 30.361 1.00 88.22 O +ATOM 7597 ND2 ASN C 145 -26.802 16.596 31.185 1.00 83.33 N +ATOM 7598 H ASN C 145 -30.264 15.048 28.135 1.00 15.00 H +ATOM 7599 HD21 ASN C 145 -25.962 16.938 31.554 1.00 15.00 H +ATOM 7600 HD22 ASN C 145 -27.107 15.672 31.279 1.00 15.00 H +ATOM 7601 N VAL C 146 -26.468 15.310 28.147 1.00 47.11 N +ATOM 7602 CA VAL C 146 -25.497 14.251 28.197 1.00 42.83 C +ATOM 7603 C VAL C 146 -24.399 14.731 29.121 1.00 50.91 C +ATOM 7604 O VAL C 146 -24.200 15.937 29.293 1.00 55.72 O +ATOM 7605 CB VAL C 146 -24.931 13.954 26.794 1.00 38.30 C +ATOM 7606 CG1 VAL C 146 -24.059 15.100 26.316 1.00 43.06 C +ATOM 7607 CG2 VAL C 146 -24.159 12.651 26.788 1.00 44.26 C +ATOM 7608 H VAL C 146 -26.181 16.185 27.809 1.00 15.00 H +ATOM 7609 N LYS C 147 -23.746 13.786 29.778 1.00 55.83 N +ATOM 7610 CA LYS C 147 -22.652 14.103 30.673 1.00 57.05 C +ATOM 7611 C LYS C 147 -21.666 12.948 30.655 1.00 52.33 C +ATOM 7612 O LYS C 147 -22.064 11.780 30.606 1.00 53.59 O +ATOM 7613 CB LYS C 147 -23.161 14.400 32.084 1.00 59.50 C +ATOM 7614 CG LYS C 147 -24.184 13.418 32.616 1.00 76.15 C +ATOM 7615 CD LYS C 147 -24.615 13.821 34.021 1.00 90.31 C +ATOM 7616 CE LYS C 147 -25.589 12.819 34.627 1.00 98.48 C +ATOM 7617 NZ LYS C 147 -25.865 13.093 36.071 1.00102.44 N +ATOM 7618 H LYS C 147 -23.999 12.841 29.670 1.00 15.00 H +ATOM 7619 HZ1 LYS C 147 -26.267 14.046 36.182 1.00 15.00 H +ATOM 7620 HZ2 LYS C 147 -26.533 12.388 36.439 1.00 15.00 H +ATOM 7621 HZ3 LYS C 147 -24.969 13.034 36.596 1.00 15.00 H +ATOM 7622 N TRP C 148 -20.386 13.293 30.556 1.00 39.59 N +ATOM 7623 CA TRP C 148 -19.327 12.302 30.530 1.00 35.34 C +ATOM 7624 C TRP C 148 -18.930 11.936 31.948 1.00 36.19 C +ATOM 7625 O TRP C 148 -19.134 12.714 32.875 1.00 31.76 O +ATOM 7626 CB TRP C 148 -18.114 12.830 29.753 1.00 34.20 C +ATOM 7627 CG TRP C 148 -18.367 12.892 28.283 1.00 34.35 C +ATOM 7628 CD1 TRP C 148 -19.163 13.786 27.632 1.00 36.20 C +ATOM 7629 CD2 TRP C 148 -17.925 11.956 27.294 1.00 34.84 C +ATOM 7630 NE1 TRP C 148 -19.260 13.459 26.307 1.00 29.55 N +ATOM 7631 CE2 TRP C 148 -18.510 12.338 26.067 1.00 35.11 C +ATOM 7632 CE3 TRP C 148 -17.100 10.821 27.326 1.00 31.73 C +ATOM 7633 CZ2 TRP C 148 -18.300 11.624 24.875 1.00 40.22 C +ATOM 7634 CZ3 TRP C 148 -16.893 10.111 26.149 1.00 28.04 C +ATOM 7635 CH2 TRP C 148 -17.492 10.517 24.935 1.00 35.70 C +ATOM 7636 H TRP C 148 -20.152 14.240 30.531 1.00 15.00 H +ATOM 7637 HE1 TRP C 148 -19.788 13.953 25.639 1.00 15.00 H +ATOM 7638 N LYS C 149 -18.411 10.727 32.116 1.00 38.92 N +ATOM 7639 CA LYS C 149 -17.960 10.242 33.410 1.00 34.35 C +ATOM 7640 C LYS C 149 -16.732 9.404 33.145 1.00 35.96 C +ATOM 7641 O LYS C 149 -16.757 8.538 32.270 1.00 39.07 O +ATOM 7642 CB LYS C 149 -19.043 9.395 34.082 1.00 32.90 C +ATOM 7643 CG LYS C 149 -20.218 10.204 34.594 1.00 39.90 C +ATOM 7644 CD LYS C 149 -21.249 9.371 35.343 1.00 36.25 C +ATOM 7645 CE LYS C 149 -22.284 10.293 36.012 1.00 49.45 C +ATOM 7646 NZ LYS C 149 -23.315 9.586 36.842 1.00 51.52 N +ATOM 7647 H LYS C 149 -18.335 10.118 31.351 1.00 15.00 H +ATOM 7648 HZ1 LYS C 149 -23.854 8.916 36.259 1.00 15.00 H +ATOM 7649 HZ2 LYS C 149 -22.846 9.074 37.617 1.00 15.00 H +ATOM 7650 HZ3 LYS C 149 -23.965 10.295 37.240 1.00 15.00 H +ATOM 7651 N ILE C 150 -15.635 9.713 33.831 1.00 44.57 N +ATOM 7652 CA ILE C 150 -14.406 8.949 33.652 1.00 48.62 C +ATOM 7653 C ILE C 150 -14.445 7.701 34.528 1.00 58.05 C +ATOM 7654 O ILE C 150 -15.328 6.856 34.365 1.00 64.30 O +ATOM 7655 CB ILE C 150 -13.159 9.783 33.945 1.00 42.62 C +ATOM 7656 CG1 ILE C 150 -13.212 11.077 33.139 1.00 45.99 C +ATOM 7657 CG2 ILE C 150 -11.916 9.028 33.500 1.00 41.79 C +ATOM 7658 CD1 ILE C 150 -13.223 10.859 31.641 1.00 37.22 C +ATOM 7659 H ILE C 150 -15.678 10.459 34.462 1.00 15.00 H +ATOM 7660 N ASP C 151 -13.526 7.571 35.475 1.00 65.32 N +ATOM 7661 CA ASP C 151 -13.552 6.383 36.302 1.00 72.80 C +ATOM 7662 C ASP C 151 -14.692 6.473 37.283 1.00 83.74 C +ATOM 7663 O ASP C 151 -15.027 7.559 37.764 1.00 74.43 O +ATOM 7664 CB ASP C 151 -12.215 6.141 36.997 1.00 59.92 C +ATOM 7665 CG ASP C 151 -11.232 5.402 36.109 1.00 54.82 C +ATOM 7666 OD1 ASP C 151 -11.638 4.415 35.455 1.00 37.42 O +ATOM 7667 OD2 ASP C 151 -10.055 5.807 36.065 1.00 59.27 O +ATOM 7668 H ASP C 151 -12.893 8.266 35.703 1.00 15.00 H +ATOM 7669 N GLY C 152 -15.327 5.329 37.515 1.00103.57 N +ATOM 7670 CA GLY C 152 -16.455 5.268 38.423 1.00126.25 C +ATOM 7671 C GLY C 152 -17.641 6.038 37.866 1.00138.59 C +ATOM 7672 O GLY C 152 -18.395 5.515 37.041 1.00143.11 O +ATOM 7673 H GLY C 152 -15.057 4.519 37.043 1.00 15.00 H +ATOM 7674 N SER C 153 -17.772 7.295 38.291 1.00145.76 N +ATOM 7675 CA SER C 153 -18.860 8.171 37.859 1.00149.26 C +ATOM 7676 C SER C 153 -18.490 9.649 38.076 1.00149.12 C +ATOM 7677 O SER C 153 -19.303 10.445 38.555 1.00151.19 O +ATOM 7678 CB SER C 153 -20.158 7.831 38.617 1.00152.05 C +ATOM 7679 OG SER C 153 -20.607 6.507 38.349 1.00151.17 O +ATOM 7680 H SER C 153 -17.094 7.646 38.902 1.00 15.00 H +ATOM 7681 HG SER C 153 -21.447 6.344 38.781 1.00 15.00 H +ATOM 7682 N GLU C 154 -17.265 10.012 37.709 1.00147.07 N +ATOM 7683 CA GLU C 154 -16.798 11.384 37.870 1.00145.39 C +ATOM 7684 C GLU C 154 -17.101 12.200 36.618 1.00139.79 C +ATOM 7685 O GLU C 154 -16.639 11.852 35.532 1.00138.15 O +ATOM 7686 CB GLU C 154 -15.292 11.388 38.137 1.00153.52 C +ATOM 7687 CG GLU C 154 -14.851 12.377 39.206 1.00165.24 C +ATOM 7688 CD GLU C 154 -15.269 13.802 38.901 1.00172.77 C +ATOM 7689 OE1 GLU C 154 -14.579 14.464 38.098 1.00177.90 O +ATOM 7690 OE2 GLU C 154 -16.289 14.257 39.463 1.00176.06 O +ATOM 7691 H GLU C 154 -16.671 9.345 37.304 1.00 15.00 H +ATOM 7692 N ARG C 155 -17.870 13.278 36.765 1.00133.76 N +ATOM 7693 CA ARG C 155 -18.218 14.124 35.621 1.00131.64 C +ATOM 7694 C ARG C 155 -17.085 15.083 35.219 1.00122.73 C +ATOM 7695 O ARG C 155 -16.232 15.420 36.042 1.00121.28 O +ATOM 7696 CB ARG C 155 -19.511 14.910 35.883 1.00140.88 C +ATOM 7697 CG ARG C 155 -19.366 16.082 36.845 1.00156.56 C +ATOM 7698 CD ARG C 155 -20.482 17.115 36.653 1.00168.09 C +ATOM 7699 NE ARG C 155 -20.427 17.785 35.349 1.00177.63 N +ATOM 7700 CZ ARG C 155 -19.751 18.906 35.099 1.00180.00 C +ATOM 7701 NH1 ARG C 155 -19.057 19.505 36.059 1.00181.86 N +ATOM 7702 NH2 ARG C 155 -19.777 19.439 33.882 1.00180.82 N +ATOM 7703 H ARG C 155 -18.198 13.514 37.653 1.00 15.00 H +ATOM 7704 HE ARG C 155 -20.926 17.382 34.608 1.00 15.00 H +ATOM 7705 HH11 ARG C 155 -19.033 19.123 36.982 1.00 15.00 H +ATOM 7706 HH12 ARG C 155 -18.555 20.346 35.858 1.00 15.00 H +ATOM 7707 HH21 ARG C 155 -20.304 19.003 33.154 1.00 15.00 H +ATOM 7708 HH22 ARG C 155 -19.270 20.283 33.698 1.00 15.00 H +ATOM 7709 N GLN C 156 -17.098 15.535 33.963 1.00110.42 N +ATOM 7710 CA GLN C 156 -16.075 16.445 33.433 1.00 96.06 C +ATOM 7711 C GLN C 156 -16.663 17.718 32.801 1.00 87.76 C +ATOM 7712 O GLN C 156 -17.882 17.851 32.682 1.00 82.52 O +ATOM 7713 CB GLN C 156 -15.217 15.709 32.395 1.00 93.69 C +ATOM 7714 CG GLN C 156 -13.812 15.327 32.866 1.00 97.41 C +ATOM 7715 CD GLN C 156 -12.860 16.516 32.970 1.00 98.89 C +ATOM 7716 OE1 GLN C 156 -13.213 17.566 33.512 1.00102.25 O +ATOM 7717 NE2 GLN C 156 -11.648 16.355 32.445 1.00 90.95 N +ATOM 7718 H GLN C 156 -17.843 15.278 33.385 1.00 15.00 H +ATOM 7719 HE21 GLN C 156 -11.036 17.119 32.515 1.00 15.00 H +ATOM 7720 HE22 GLN C 156 -11.420 15.505 32.023 1.00 15.00 H +ATOM 7721 N ASN C 157 -15.791 18.638 32.379 1.00 78.10 N +ATOM 7722 CA ASN C 157 -16.233 19.888 31.756 1.00 65.68 C +ATOM 7723 C ASN C 157 -15.695 20.202 30.345 1.00 65.67 C +ATOM 7724 O ASN C 157 -16.254 21.063 29.663 1.00 72.24 O +ATOM 7725 CB ASN C 157 -15.983 21.090 32.688 1.00 58.80 C +ATOM 7726 CG ASN C 157 -14.530 21.575 32.673 1.00 50.85 C +ATOM 7727 OD1 ASN C 157 -13.668 20.983 32.026 1.00 54.26 O +ATOM 7728 ND2 ASN C 157 -14.256 22.650 33.406 1.00 37.41 N +ATOM 7729 H ASN C 157 -14.830 18.494 32.543 1.00 15.00 H +ATOM 7730 HD21 ASN C 157 -13.326 22.955 33.395 1.00 15.00 H +ATOM 7731 HD22 ASN C 157 -14.967 23.065 33.926 1.00 15.00 H +ATOM 7732 N GLY C 158 -14.645 19.510 29.894 1.00 56.07 N +ATOM 7733 CA GLY C 158 -14.089 19.782 28.565 1.00 45.73 C +ATOM 7734 C GLY C 158 -14.856 19.216 27.370 1.00 37.49 C +ATOM 7735 O GLY C 158 -14.271 18.861 26.338 1.00 17.44 O +ATOM 7736 H GLY C 158 -14.238 18.838 30.470 1.00 15.00 H +ATOM 7737 N VAL C 159 -16.177 19.222 27.471 1.00 35.02 N +ATOM 7738 CA VAL C 159 -17.028 18.659 26.440 1.00 40.08 C +ATOM 7739 C VAL C 159 -17.434 19.578 25.296 1.00 41.83 C +ATOM 7740 O VAL C 159 -17.702 20.770 25.497 1.00 41.09 O +ATOM 7741 CB VAL C 159 -18.310 18.085 27.066 1.00 43.18 C +ATOM 7742 CG1 VAL C 159 -17.976 16.911 27.954 1.00 52.89 C +ATOM 7743 CG2 VAL C 159 -19.022 19.158 27.872 1.00 53.14 C +ATOM 7744 H VAL C 159 -16.594 19.705 28.211 1.00 15.00 H +ATOM 7745 N LEU C 160 -17.524 18.983 24.105 1.00 39.78 N +ATOM 7746 CA LEU C 160 -17.943 19.668 22.884 1.00 31.91 C +ATOM 7747 C LEU C 160 -19.025 18.868 22.182 1.00 32.99 C +ATOM 7748 O LEU C 160 -18.741 17.885 21.476 1.00 35.36 O +ATOM 7749 CB LEU C 160 -16.783 19.851 21.916 1.00 36.40 C +ATOM 7750 CG LEU C 160 -16.028 21.175 21.979 1.00 46.33 C +ATOM 7751 CD1 LEU C 160 -15.145 21.227 23.235 1.00 51.09 C +ATOM 7752 CD2 LEU C 160 -15.185 21.314 20.716 1.00 44.27 C +ATOM 7753 H LEU C 160 -17.276 18.036 24.039 1.00 15.00 H +ATOM 7754 N ASN C 161 -20.270 19.270 22.404 1.00 29.04 N +ATOM 7755 CA ASN C 161 -21.402 18.603 21.775 1.00 36.47 C +ATOM 7756 C ASN C 161 -21.889 19.512 20.655 1.00 39.46 C +ATOM 7757 O ASN C 161 -21.717 20.733 20.730 1.00 38.15 O +ATOM 7758 CB ASN C 161 -22.556 18.364 22.763 1.00 43.49 C +ATOM 7759 CG ASN C 161 -22.171 18.630 24.200 1.00 42.58 C +ATOM 7760 OD1 ASN C 161 -21.438 17.850 24.798 1.00 49.97 O +ATOM 7761 ND2 ASN C 161 -22.661 19.735 24.764 1.00 35.53 N +ATOM 7762 H ASN C 161 -20.407 20.049 22.972 1.00 15.00 H +ATOM 7763 HD21 ASN C 161 -22.416 19.893 25.701 1.00 15.00 H +ATOM 7764 HD22 ASN C 161 -23.243 20.324 24.241 1.00 15.00 H +ATOM 7765 N SER C 162 -22.525 18.922 19.644 1.00 42.44 N +ATOM 7766 CA SER C 162 -23.048 19.667 18.504 1.00 37.55 C +ATOM 7767 C SER C 162 -24.421 19.103 18.187 1.00 36.44 C +ATOM 7768 O SER C 162 -24.648 17.909 18.380 1.00 45.02 O +ATOM 7769 CB SER C 162 -22.119 19.493 17.303 1.00 37.42 C +ATOM 7770 OG SER C 162 -22.531 20.289 16.210 1.00 46.73 O +ATOM 7771 H SER C 162 -22.641 17.950 19.645 1.00 15.00 H +ATOM 7772 HG SER C 162 -21.775 20.783 15.850 1.00 15.00 H +ATOM 7773 N TRP C 163 -25.328 19.960 17.719 1.00 35.56 N +ATOM 7774 CA TRP C 163 -26.701 19.571 17.371 1.00 36.99 C +ATOM 7775 C TRP C 163 -27.015 19.730 15.888 1.00 27.10 C +ATOM 7776 O TRP C 163 -26.466 20.590 15.212 1.00 32.16 O +ATOM 7777 CB TRP C 163 -27.715 20.450 18.105 1.00 55.64 C +ATOM 7778 CG TRP C 163 -28.186 19.992 19.448 1.00 67.59 C +ATOM 7779 CD1 TRP C 163 -29.301 19.246 19.715 1.00 69.08 C +ATOM 7780 CD2 TRP C 163 -27.670 20.410 20.717 1.00 74.28 C +ATOM 7781 NE1 TRP C 163 -29.526 19.200 21.070 1.00 75.33 N +ATOM 7782 CE2 TRP C 163 -28.540 19.906 21.709 1.00 74.20 C +ATOM 7783 CE3 TRP C 163 -26.561 21.174 21.112 1.00 77.78 C +ATOM 7784 CZ2 TRP C 163 -28.338 20.144 23.073 1.00 79.46 C +ATOM 7785 CZ3 TRP C 163 -26.359 21.411 22.470 1.00 79.89 C +ATOM 7786 CH2 TRP C 163 -27.246 20.897 23.433 1.00 81.17 C +ATOM 7787 H TRP C 163 -25.058 20.883 17.546 1.00 15.00 H +ATOM 7788 HE1 TRP C 163 -30.283 18.747 21.510 1.00 15.00 H +ATOM 7789 N THR C 164 -27.978 18.951 15.421 1.00 28.98 N +ATOM 7790 CA THR C 164 -28.430 19.004 14.044 1.00 32.22 C +ATOM 7791 C THR C 164 -29.783 19.730 14.075 1.00 38.35 C +ATOM 7792 O THR C 164 -30.361 19.924 15.149 1.00 32.84 O +ATOM 7793 CB THR C 164 -28.647 17.553 13.500 1.00 27.12 C +ATOM 7794 OG1 THR C 164 -27.412 16.829 13.532 1.00 32.54 O +ATOM 7795 CG2 THR C 164 -29.152 17.562 12.076 1.00 41.93 C +ATOM 7796 H THR C 164 -28.406 18.319 16.033 1.00 15.00 H +ATOM 7797 HG1 THR C 164 -26.715 17.392 13.175 1.00 15.00 H +ATOM 7798 N ASP C 165 -30.242 20.214 12.923 1.00 45.65 N +ATOM 7799 CA ASP C 165 -31.554 20.843 12.855 1.00 42.70 C +ATOM 7800 C ASP C 165 -32.508 19.673 12.690 1.00 44.54 C +ATOM 7801 O ASP C 165 -32.089 18.574 12.306 1.00 39.82 O +ATOM 7802 CB ASP C 165 -31.659 21.759 11.646 1.00 43.01 C +ATOM 7803 CG ASP C 165 -30.975 23.076 11.861 1.00 47.43 C +ATOM 7804 OD1 ASP C 165 -31.457 23.854 12.717 1.00 50.42 O +ATOM 7805 OD2 ASP C 165 -29.964 23.330 11.171 1.00 48.02 O +ATOM 7806 H ASP C 165 -29.721 20.130 12.103 1.00 15.00 H +ATOM 7807 N GLN C 166 -33.781 19.894 12.988 1.00 46.73 N +ATOM 7808 CA GLN C 166 -34.779 18.839 12.864 1.00 51.41 C +ATOM 7809 C GLN C 166 -34.698 18.216 11.462 1.00 54.64 C +ATOM 7810 O GLN C 166 -34.893 18.899 10.456 1.00 65.52 O +ATOM 7811 CB GLN C 166 -36.161 19.433 13.114 1.00 51.61 C +ATOM 7812 CG GLN C 166 -37.271 18.426 13.230 1.00 54.39 C +ATOM 7813 CD GLN C 166 -38.590 19.085 13.551 1.00 55.72 C +ATOM 7814 OE1 GLN C 166 -39.063 19.038 14.687 1.00 49.62 O +ATOM 7815 NE2 GLN C 166 -39.187 19.729 12.553 1.00 51.04 N +ATOM 7816 H GLN C 166 -34.058 20.785 13.270 1.00 15.00 H +ATOM 7817 HE21 GLN C 166 -40.046 20.166 12.647 1.00 15.00 H +ATOM 7818 HE22 GLN C 166 -38.686 19.706 11.710 1.00 15.00 H +ATOM 7819 N ASP C 167 -34.357 16.936 11.390 1.00 49.36 N +ATOM 7820 CA ASP C 167 -34.245 16.268 10.105 1.00 40.34 C +ATOM 7821 C ASP C 167 -35.561 16.247 9.349 1.00 47.60 C +ATOM 7822 O ASP C 167 -36.624 16.006 9.923 1.00 39.77 O +ATOM 7823 CB ASP C 167 -33.716 14.852 10.284 1.00 40.70 C +ATOM 7824 CG ASP C 167 -33.897 14.003 9.049 1.00 42.88 C +ATOM 7825 OD1 ASP C 167 -35.023 13.512 8.844 1.00 44.80 O +ATOM 7826 OD2 ASP C 167 -32.922 13.820 8.287 1.00 53.97 O +ATOM 7827 H ASP C 167 -34.164 16.455 12.213 1.00 15.00 H +ATOM 7828 N SER C 168 -35.449 16.433 8.037 1.00 58.42 N +ATOM 7829 CA SER C 168 -36.586 16.451 7.121 1.00 64.72 C +ATOM 7830 C SER C 168 -37.474 15.219 7.230 1.00 68.63 C +ATOM 7831 O SER C 168 -38.634 15.325 7.626 1.00 72.84 O +ATOM 7832 CB SER C 168 -36.092 16.607 5.675 1.00 70.89 C +ATOM 7833 OG SER C 168 -37.083 16.251 4.721 1.00 76.65 O +ATOM 7834 H SER C 168 -34.555 16.596 7.685 1.00 15.00 H +ATOM 7835 HG SER C 168 -36.782 16.451 3.830 1.00 15.00 H +ATOM 7836 N LYS C 169 -36.919 14.057 6.889 1.00 67.92 N +ATOM 7837 CA LYS C 169 -37.663 12.803 6.923 1.00 70.00 C +ATOM 7838 C LYS C 169 -38.171 12.326 8.287 1.00 66.43 C +ATOM 7839 O LYS C 169 -39.383 12.329 8.534 1.00 74.19 O +ATOM 7840 CB LYS C 169 -36.887 11.685 6.202 1.00 80.74 C +ATOM 7841 CG LYS C 169 -35.403 11.579 6.532 1.00 91.53 C +ATOM 7842 CD LYS C 169 -34.719 10.520 5.673 1.00102.45 C +ATOM 7843 CE LYS C 169 -33.215 10.464 5.936 1.00108.01 C +ATOM 7844 NZ LYS C 169 -32.521 9.433 5.103 1.00107.57 N +ATOM 7845 H LYS C 169 -35.994 14.065 6.586 1.00 15.00 H +ATOM 7846 HZ1 LYS C 169 -32.917 8.493 5.307 1.00 15.00 H +ATOM 7847 HZ2 LYS C 169 -32.659 9.662 4.098 1.00 15.00 H +ATOM 7848 HZ3 LYS C 169 -31.504 9.434 5.323 1.00 15.00 H +ATOM 7849 N ASP C 170 -37.273 11.913 9.176 1.00 52.40 N +ATOM 7850 CA ASP C 170 -37.739 11.432 10.468 1.00 37.91 C +ATOM 7851 C ASP C 170 -38.206 12.475 11.480 1.00 30.11 C +ATOM 7852 O ASP C 170 -38.799 12.120 12.480 1.00 26.05 O +ATOM 7853 CB ASP C 170 -36.783 10.402 11.083 1.00 41.83 C +ATOM 7854 CG ASP C 170 -35.393 10.935 11.303 1.00 46.88 C +ATOM 7855 OD1 ASP C 170 -35.239 12.160 11.475 1.00 48.27 O +ATOM 7856 OD2 ASP C 170 -34.451 10.115 11.328 1.00 50.70 O +ATOM 7857 H ASP C 170 -36.325 11.894 8.968 1.00 15.00 H +ATOM 7858 N SER C 171 -37.998 13.756 11.191 1.00 31.28 N +ATOM 7859 CA SER C 171 -38.418 14.833 12.085 1.00 31.91 C +ATOM 7860 C SER C 171 -37.673 14.797 13.415 1.00 34.09 C +ATOM 7861 O SER C 171 -38.043 15.508 14.356 1.00 30.59 O +ATOM 7862 CB SER C 171 -39.928 14.769 12.337 1.00 35.02 C +ATOM 7863 OG SER C 171 -40.667 14.827 11.125 1.00 45.82 O +ATOM 7864 H SER C 171 -37.581 14.032 10.352 1.00 15.00 H +ATOM 7865 HG SER C 171 -40.342 14.172 10.495 1.00 15.00 H +ATOM 7866 N THR C 172 -36.604 13.998 13.466 1.00 31.49 N +ATOM 7867 CA THR C 172 -35.788 13.831 14.670 1.00 35.85 C +ATOM 7868 C THR C 172 -34.583 14.769 14.720 1.00 47.60 C +ATOM 7869 O THR C 172 -34.356 15.571 13.811 1.00 57.87 O +ATOM 7870 CB THR C 172 -35.215 12.388 14.786 1.00 33.63 C +ATOM 7871 OG1 THR C 172 -34.072 12.232 13.928 1.00 13.78 O +ATOM 7872 CG2 THR C 172 -36.259 11.358 14.430 1.00 37.72 C +ATOM 7873 H THR C 172 -36.310 13.528 12.671 1.00 15.00 H +ATOM 7874 HG1 THR C 172 -33.741 11.329 13.880 1.00 15.00 H +ATOM 7875 N TYR C 173 -33.808 14.650 15.791 1.00 44.66 N +ATOM 7876 CA TYR C 173 -32.608 15.438 15.976 1.00 42.57 C +ATOM 7877 C TYR C 173 -31.470 14.452 16.171 1.00 42.39 C +ATOM 7878 O TYR C 173 -31.691 13.248 16.296 1.00 45.44 O +ATOM 7879 CB TYR C 173 -32.721 16.307 17.227 1.00 42.59 C +ATOM 7880 CG TYR C 173 -33.774 17.384 17.158 1.00 46.08 C +ATOM 7881 CD1 TYR C 173 -35.126 17.064 17.197 1.00 43.41 C +ATOM 7882 CD2 TYR C 173 -33.417 18.733 17.095 1.00 51.26 C +ATOM 7883 CE1 TYR C 173 -36.097 18.056 17.179 1.00 44.28 C +ATOM 7884 CE2 TYR C 173 -34.387 19.738 17.076 1.00 44.89 C +ATOM 7885 CZ TYR C 173 -35.725 19.387 17.121 1.00 41.75 C +ATOM 7886 OH TYR C 173 -36.693 20.359 17.140 1.00 30.37 O +ATOM 7887 H TYR C 173 -34.039 14.010 16.493 1.00 15.00 H +ATOM 7888 HH TYR C 173 -36.244 21.201 17.073 1.00 15.00 H +ATOM 7889 N SER C 174 -30.253 14.967 16.199 1.00 37.45 N +ATOM 7890 CA SER C 174 -29.075 14.146 16.416 1.00 43.22 C +ATOM 7891 C SER C 174 -28.066 15.018 17.150 1.00 44.59 C +ATOM 7892 O SER C 174 -28.180 16.247 17.130 1.00 51.67 O +ATOM 7893 CB SER C 174 -28.511 13.646 15.085 1.00 41.74 C +ATOM 7894 OG SER C 174 -29.380 12.687 14.496 1.00 45.18 O +ATOM 7895 H SER C 174 -30.110 15.930 16.095 1.00 15.00 H +ATOM 7896 HG SER C 174 -30.289 12.922 14.734 1.00 15.00 H +ATOM 7897 N MET C 175 -27.130 14.394 17.855 1.00 38.56 N +ATOM 7898 CA MET C 175 -26.125 15.140 18.595 1.00 33.64 C +ATOM 7899 C MET C 175 -24.821 14.391 18.654 1.00 26.83 C +ATOM 7900 O MET C 175 -24.803 13.167 18.691 1.00 39.42 O +ATOM 7901 CB MET C 175 -26.585 15.407 20.019 1.00 35.50 C +ATOM 7902 CG MET C 175 -25.504 16.046 20.856 1.00 39.15 C +ATOM 7903 SD MET C 175 -25.889 15.969 22.571 1.00 41.17 S +ATOM 7904 CE MET C 175 -27.364 16.889 22.581 1.00 30.72 C +ATOM 7905 H MET C 175 -27.112 13.413 17.901 1.00 15.00 H +ATOM 7906 N SER C 176 -23.731 15.139 18.708 1.00 25.06 N +ATOM 7907 CA SER C 176 -22.403 14.560 18.771 1.00 31.75 C +ATOM 7908 C SER C 176 -21.652 15.258 19.879 1.00 35.33 C +ATOM 7909 O SER C 176 -21.285 16.428 19.743 1.00 30.34 O +ATOM 7910 CB SER C 176 -21.676 14.777 17.444 1.00 31.34 C +ATOM 7911 OG SER C 176 -20.309 14.411 17.509 1.00 45.62 O +ATOM 7912 H SER C 176 -23.827 16.115 18.684 1.00 15.00 H +ATOM 7913 HG SER C 176 -19.838 15.112 17.978 1.00 15.00 H +ATOM 7914 N SER C 177 -21.471 14.556 20.991 1.00 38.28 N +ATOM 7915 CA SER C 177 -20.749 15.092 22.134 1.00 31.67 C +ATOM 7916 C SER C 177 -19.372 14.447 22.156 1.00 25.91 C +ATOM 7917 O SER C 177 -19.254 13.220 22.033 1.00 30.99 O +ATOM 7918 CB SER C 177 -21.498 14.770 23.422 1.00 22.75 C +ATOM 7919 OG SER C 177 -20.753 15.181 24.548 1.00 28.91 O +ATOM 7920 H SER C 177 -21.805 13.633 21.044 1.00 15.00 H +ATOM 7921 HG SER C 177 -20.914 16.115 24.727 1.00 15.00 H +ATOM 7922 N THR C 178 -18.328 15.258 22.264 1.00 12.86 N +ATOM 7923 CA THR C 178 -17.006 14.678 22.301 1.00 20.98 C +ATOM 7924 C THR C 178 -16.112 15.275 23.358 1.00 20.03 C +ATOM 7925 O THR C 178 -16.051 16.491 23.550 1.00 23.28 O +ATOM 7926 CB THR C 178 -16.319 14.671 20.926 1.00 31.27 C +ATOM 7927 OG1 THR C 178 -14.961 14.212 21.053 1.00 34.66 O +ATOM 7928 CG2 THR C 178 -16.350 16.053 20.321 1.00 39.00 C +ATOM 7929 H THR C 178 -18.428 16.225 22.320 1.00 15.00 H +ATOM 7930 HG1 THR C 178 -14.411 14.894 21.457 1.00 15.00 H +ATOM 7931 N LEU C 179 -15.465 14.381 24.091 1.00 15.55 N +ATOM 7932 CA LEU C 179 -14.564 14.771 25.147 1.00 10.19 C +ATOM 7933 C LEU C 179 -13.185 14.641 24.565 1.00 27.23 C +ATOM 7934 O LEU C 179 -12.845 13.589 23.983 1.00 24.62 O +ATOM 7935 CB LEU C 179 -14.680 13.820 26.313 1.00 19.29 C +ATOM 7936 CG LEU C 179 -13.779 14.186 27.482 1.00 15.18 C +ATOM 7937 CD1 LEU C 179 -14.505 15.201 28.366 1.00 3.98 C +ATOM 7938 CD2 LEU C 179 -13.445 12.931 28.254 1.00 8.85 C +ATOM 7939 H LEU C 179 -15.579 13.430 23.880 1.00 15.00 H +ATOM 7940 N THR C 180 -12.382 15.690 24.727 1.00 32.88 N +ATOM 7941 CA THR C 180 -11.033 15.676 24.179 1.00 46.47 C +ATOM 7942 C THR C 180 -9.937 15.857 25.229 1.00 49.16 C +ATOM 7943 O THR C 180 -9.756 16.936 25.802 1.00 55.89 O +ATOM 7944 CB THR C 180 -10.883 16.691 23.006 1.00 48.24 C +ATOM 7945 OG1 THR C 180 -11.817 16.368 21.961 1.00 56.38 O +ATOM 7946 CG2 THR C 180 -9.479 16.625 22.422 1.00 48.57 C +ATOM 7947 H THR C 180 -12.684 16.493 25.200 1.00 15.00 H +ATOM 7948 HG1 THR C 180 -11.481 15.580 21.503 1.00 15.00 H +ATOM 7949 N LEU C 181 -9.217 14.767 25.471 1.00 47.20 N +ATOM 7950 CA LEU C 181 -8.140 14.715 26.449 1.00 42.83 C +ATOM 7951 C LEU C 181 -6.797 14.534 25.771 1.00 44.00 C +ATOM 7952 O LEU C 181 -6.708 14.422 24.546 1.00 43.60 O +ATOM 7953 CB LEU C 181 -8.366 13.522 27.372 1.00 33.70 C +ATOM 7954 CG LEU C 181 -9.780 13.402 27.921 1.00 23.49 C +ATOM 7955 CD1 LEU C 181 -10.070 11.960 28.242 1.00 33.73 C +ATOM 7956 CD2 LEU C 181 -9.948 14.298 29.121 1.00 20.70 C +ATOM 7957 H LEU C 181 -9.423 13.952 24.989 1.00 15.00 H +ATOM 7958 N THR C 182 -5.754 14.499 26.590 1.00 38.41 N +ATOM 7959 CA THR C 182 -4.399 14.292 26.115 1.00 39.38 C +ATOM 7960 C THR C 182 -4.183 12.786 26.146 1.00 43.04 C +ATOM 7961 O THR C 182 -4.847 12.099 26.927 1.00 49.25 O +ATOM 7962 CB THR C 182 -3.427 14.888 27.104 1.00 43.86 C +ATOM 7963 OG1 THR C 182 -3.850 16.216 27.440 1.00 42.63 O +ATOM 7964 CG2 THR C 182 -2.012 14.874 26.532 1.00 49.69 C +ATOM 7965 H THR C 182 -5.898 14.608 27.549 1.00 15.00 H +ATOM 7966 HG1 THR C 182 -3.961 16.676 26.598 1.00 15.00 H +ATOM 7967 N LYS C 183 -3.274 12.260 25.327 1.00 39.72 N +ATOM 7968 CA LYS C 183 -3.012 10.817 25.372 1.00 42.19 C +ATOM 7969 C LYS C 183 -2.759 10.453 26.832 1.00 44.83 C +ATOM 7970 O LYS C 183 -3.477 9.646 27.417 1.00 46.29 O +ATOM 7971 CB LYS C 183 -1.766 10.442 24.564 1.00 42.78 C +ATOM 7972 CG LYS C 183 -1.343 8.968 24.722 1.00 41.70 C +ATOM 7973 CD LYS C 183 -0.058 8.654 23.951 1.00 51.45 C +ATOM 7974 CE LYS C 183 0.282 7.159 23.930 1.00 58.08 C +ATOM 7975 NZ LYS C 183 0.895 6.652 25.194 1.00 67.91 N +ATOM 7976 H LYS C 183 -2.804 12.829 24.677 1.00 15.00 H +ATOM 7977 HZ1 LYS C 183 0.238 6.822 25.981 1.00 15.00 H +ATOM 7978 HZ2 LYS C 183 1.082 5.634 25.109 1.00 15.00 H +ATOM 7979 HZ3 LYS C 183 1.786 7.158 25.372 1.00 15.00 H +ATOM 7980 N ASP C 184 -1.782 11.130 27.429 1.00 44.01 N +ATOM 7981 CA ASP C 184 -1.414 10.904 28.818 1.00 38.73 C +ATOM 7982 C ASP C 184 -2.622 10.919 29.749 1.00 40.25 C +ATOM 7983 O ASP C 184 -2.913 9.912 30.397 1.00 44.09 O +ATOM 7984 CB ASP C 184 -0.373 11.934 29.274 1.00 28.21 C +ATOM 7985 CG ASP C 184 0.932 11.843 28.486 1.00 28.53 C +ATOM 7986 OD1 ASP C 184 1.271 10.746 27.969 1.00 11.29 O +ATOM 7987 OD2 ASP C 184 1.620 12.879 28.381 1.00 25.25 O +ATOM 7988 H ASP C 184 -1.286 11.794 26.908 1.00 15.00 H +ATOM 7989 N GLU C 185 -3.368 12.020 29.771 1.00 35.80 N +ATOM 7990 CA GLU C 185 -4.520 12.091 30.656 1.00 32.54 C +ATOM 7991 C GLU C 185 -5.596 11.076 30.325 1.00 27.84 C +ATOM 7992 O GLU C 185 -6.436 10.774 31.161 1.00 34.72 O +ATOM 7993 CB GLU C 185 -5.123 13.485 30.703 1.00 42.48 C +ATOM 7994 CG GLU C 185 -6.013 13.673 31.924 1.00 56.88 C +ATOM 7995 CD GLU C 185 -6.923 14.883 31.827 1.00 75.37 C +ATOM 7996 OE1 GLU C 185 -6.941 15.543 30.759 1.00 82.11 O +ATOM 7997 OE2 GLU C 185 -7.632 15.167 32.824 1.00 81.13 O +ATOM 7998 H GLU C 185 -3.145 12.780 29.204 1.00 15.00 H +ATOM 7999 N TYR C 186 -5.601 10.566 29.105 1.00 21.59 N +ATOM 8000 CA TYR C 186 -6.593 9.568 28.748 1.00 25.42 C +ATOM 8001 C TYR C 186 -6.123 8.260 29.358 1.00 27.25 C +ATOM 8002 O TYR C 186 -6.899 7.545 29.977 1.00 31.85 O +ATOM 8003 CB TYR C 186 -6.718 9.448 27.225 1.00 24.56 C +ATOM 8004 CG TYR C 186 -7.448 8.214 26.694 1.00 11.64 C +ATOM 8005 CD1 TYR C 186 -8.821 8.034 26.878 1.00 11.39 C +ATOM 8006 CD2 TYR C 186 -6.757 7.243 25.972 1.00 7.24 C +ATOM 8007 CE1 TYR C 186 -9.482 6.902 26.344 1.00 15.93 C +ATOM 8008 CE2 TYR C 186 -7.401 6.115 25.440 1.00 2.00 C +ATOM 8009 CZ TYR C 186 -8.754 5.950 25.624 1.00 12.06 C +ATOM 8010 OH TYR C 186 -9.367 4.844 25.069 1.00 17.61 O +ATOM 8011 H TYR C 186 -4.943 10.835 28.436 1.00 15.00 H +ATOM 8012 HH TYR C 186 -8.738 4.197 24.705 1.00 15.00 H +ATOM 8013 N GLU C 187 -4.832 7.986 29.240 1.00 25.45 N +ATOM 8014 CA GLU C 187 -4.283 6.757 29.776 1.00 32.23 C +ATOM 8015 C GLU C 187 -4.358 6.610 31.300 1.00 33.29 C +ATOM 8016 O GLU C 187 -4.590 5.510 31.786 1.00 41.09 O +ATOM 8017 CB GLU C 187 -2.860 6.510 29.253 1.00 31.85 C +ATOM 8018 CG GLU C 187 -2.820 6.125 27.764 1.00 47.08 C +ATOM 8019 CD GLU C 187 -1.459 5.601 27.271 1.00 54.49 C +ATOM 8020 OE1 GLU C 187 -0.405 5.977 27.844 1.00 55.39 O +ATOM 8021 OE2 GLU C 187 -1.451 4.819 26.285 1.00 48.34 O +ATOM 8022 H GLU C 187 -4.252 8.632 28.801 1.00 15.00 H +ATOM 8023 N ARG C 188 -4.219 7.692 32.065 1.00 36.47 N +ATOM 8024 CA ARG C 188 -4.288 7.564 33.534 1.00 30.73 C +ATOM 8025 C ARG C 188 -5.708 7.435 34.092 1.00 20.66 C +ATOM 8026 O ARG C 188 -6.020 7.962 35.157 1.00 20.61 O +ATOM 8027 CB ARG C 188 -3.524 8.688 34.260 1.00 22.21 C +ATOM 8028 CG ARG C 188 -4.227 10.015 34.319 1.00 9.27 C +ATOM 8029 CD ARG C 188 -3.569 10.924 35.326 1.00 19.25 C +ATOM 8030 NE ARG C 188 -3.995 12.320 35.180 1.00 42.21 N +ATOM 8031 CZ ARG C 188 -5.180 12.807 35.554 1.00 51.28 C +ATOM 8032 NH1 ARG C 188 -6.088 12.015 36.106 1.00 48.63 N +ATOM 8033 NH2 ARG C 188 -5.450 14.100 35.393 1.00 55.90 N +ATOM 8034 H ARG C 188 -4.091 8.568 31.645 1.00 15.00 H +ATOM 8035 HE ARG C 188 -3.364 12.951 34.776 1.00 15.00 H +ATOM 8036 HH11 ARG C 188 -5.905 11.042 36.249 1.00 15.00 H +ATOM 8037 HH12 ARG C 188 -6.972 12.396 36.373 1.00 15.00 H +ATOM 8038 HH21 ARG C 188 -4.765 14.704 34.985 1.00 15.00 H +ATOM 8039 HH22 ARG C 188 -6.340 14.465 35.666 1.00 15.00 H +ATOM 8040 N HIS C 189 -6.565 6.753 33.345 1.00 13.99 N +ATOM 8041 CA HIS C 189 -7.951 6.505 33.728 1.00 18.09 C +ATOM 8042 C HIS C 189 -8.342 5.212 33.005 1.00 19.48 C +ATOM 8043 O HIS C 189 -7.603 4.752 32.140 1.00 21.28 O +ATOM 8044 CB HIS C 189 -8.854 7.653 33.283 1.00 25.39 C +ATOM 8045 CG HIS C 189 -8.554 8.960 33.946 1.00 28.12 C +ATOM 8046 ND1 HIS C 189 -9.050 9.300 35.186 1.00 30.97 N +ATOM 8047 CD2 HIS C 189 -7.831 10.027 33.527 1.00 35.72 C +ATOM 8048 CE1 HIS C 189 -8.651 10.521 35.500 1.00 30.94 C +ATOM 8049 NE2 HIS C 189 -7.909 10.984 34.510 1.00 23.75 N +ATOM 8050 H HIS C 189 -6.288 6.334 32.499 1.00 15.00 H +ATOM 8051 HD1 HIS C 189 -9.563 8.722 35.783 1.00 15.00 H +ATOM 8052 HE2 HIS C 189 -7.469 11.858 34.455 1.00 15.00 H +ATOM 8053 N ASN C 190 -9.480 4.616 33.336 1.00 19.50 N +ATOM 8054 CA ASN C 190 -9.837 3.367 32.673 1.00 37.78 C +ATOM 8055 C ASN C 190 -11.201 3.325 32.013 1.00 41.16 C +ATOM 8056 O ASN C 190 -11.319 2.997 30.829 1.00 38.69 O +ATOM 8057 CB ASN C 190 -9.705 2.181 33.639 1.00 58.88 C +ATOM 8058 CG ASN C 190 -10.544 0.978 33.206 1.00 78.34 C +ATOM 8059 OD1 ASN C 190 -10.352 0.420 32.115 1.00 84.12 O +ATOM 8060 ND2 ASN C 190 -11.503 0.600 34.044 1.00 86.02 N +ATOM 8061 H ASN C 190 -10.071 5.021 33.987 1.00 15.00 H +ATOM 8062 HD21 ASN C 190 -12.071 -0.143 33.736 1.00 15.00 H +ATOM 8063 HD22 ASN C 190 -11.641 1.047 34.897 1.00 15.00 H +ATOM 8064 N SER C 191 -12.233 3.547 32.816 1.00 40.76 N +ATOM 8065 CA SER C 191 -13.594 3.528 32.322 1.00 41.20 C +ATOM 8066 C SER C 191 -14.021 4.905 31.809 1.00 41.14 C +ATOM 8067 O SER C 191 -13.588 5.931 32.351 1.00 41.70 O +ATOM 8068 CB SER C 191 -14.530 3.079 33.443 1.00 45.20 C +ATOM 8069 OG SER C 191 -15.858 2.910 32.980 1.00 51.86 O +ATOM 8070 H SER C 191 -12.115 3.721 33.745 1.00 15.00 H +ATOM 8071 HG SER C 191 -16.257 3.743 32.698 1.00 15.00 H +ATOM 8072 N TYR C 192 -14.829 4.907 30.741 1.00 35.32 N +ATOM 8073 CA TYR C 192 -15.374 6.122 30.121 1.00 19.69 C +ATOM 8074 C TYR C 192 -16.837 5.870 29.883 1.00 20.44 C +ATOM 8075 O TYR C 192 -17.216 4.844 29.306 1.00 21.09 O +ATOM 8076 CB TYR C 192 -14.692 6.434 28.799 1.00 2.00 C +ATOM 8077 CG TYR C 192 -13.289 6.917 28.990 1.00 15.31 C +ATOM 8078 CD1 TYR C 192 -13.037 8.177 29.526 1.00 14.73 C +ATOM 8079 CD2 TYR C 192 -12.200 6.090 28.703 1.00 19.92 C +ATOM 8080 CE1 TYR C 192 -11.730 8.598 29.775 1.00 25.65 C +ATOM 8081 CE2 TYR C 192 -10.893 6.505 28.956 1.00 8.93 C +ATOM 8082 CZ TYR C 192 -10.667 7.753 29.488 1.00 18.91 C +ATOM 8083 OH TYR C 192 -9.377 8.166 29.736 1.00 29.53 O +ATOM 8084 H TYR C 192 -15.082 4.045 30.339 1.00 15.00 H +ATOM 8085 HH TYR C 192 -8.756 7.438 29.602 1.00 15.00 H +ATOM 8086 N THR C 193 -17.658 6.816 30.315 1.00 24.39 N +ATOM 8087 CA THR C 193 -19.098 6.686 30.204 1.00 37.33 C +ATOM 8088 C THR C 193 -19.802 7.926 29.675 1.00 41.17 C +ATOM 8089 O THR C 193 -19.573 9.043 30.145 1.00 47.31 O +ATOM 8090 CB THR C 193 -19.691 6.361 31.586 1.00 46.93 C +ATOM 8091 OG1 THR C 193 -19.123 5.138 32.075 1.00 53.53 O +ATOM 8092 CG2 THR C 193 -21.210 6.240 31.514 1.00 50.36 C +ATOM 8093 H THR C 193 -17.290 7.615 30.740 1.00 15.00 H +ATOM 8094 HG1 THR C 193 -19.320 5.038 33.017 1.00 15.00 H +ATOM 8095 N CYS C 194 -20.693 7.699 28.720 1.00 36.08 N +ATOM 8096 CA CYS C 194 -21.480 8.748 28.106 1.00 31.52 C +ATOM 8097 C CYS C 194 -22.863 8.506 28.673 1.00 30.13 C +ATOM 8098 O CYS C 194 -23.474 7.472 28.411 1.00 26.22 O +ATOM 8099 CB CYS C 194 -21.480 8.545 26.598 1.00 36.01 C +ATOM 8100 SG CYS C 194 -22.465 9.721 25.622 1.00 42.15 S +ATOM 8101 H CYS C 194 -20.854 6.778 28.417 1.00 15.00 H +ATOM 8102 N GLU C 195 -23.339 9.428 29.494 1.00 33.78 N +ATOM 8103 CA GLU C 195 -24.638 9.260 30.124 1.00 42.86 C +ATOM 8104 C GLU C 195 -25.676 10.232 29.587 1.00 44.07 C +ATOM 8105 O GLU C 195 -25.510 11.448 29.701 1.00 51.82 O +ATOM 8106 CB GLU C 195 -24.484 9.423 31.634 1.00 45.38 C +ATOM 8107 CG GLU C 195 -25.752 9.185 32.413 1.00 52.09 C +ATOM 8108 CD GLU C 195 -25.516 9.201 33.898 1.00 58.35 C +ATOM 8109 OE1 GLU C 195 -24.433 8.744 34.327 1.00 56.44 O +ATOM 8110 OE2 GLU C 195 -26.414 9.666 34.633 1.00 60.31 O +ATOM 8111 H GLU C 195 -22.828 10.245 29.679 1.00 15.00 H +ATOM 8112 N ALA C 196 -26.771 9.694 29.062 1.00 41.36 N +ATOM 8113 CA ALA C 196 -27.832 10.513 28.490 1.00 46.74 C +ATOM 8114 C ALA C 196 -29.177 10.486 29.222 1.00 49.94 C +ATOM 8115 O ALA C 196 -29.723 9.424 29.506 1.00 50.55 O +ATOM 8116 CB ALA C 196 -28.033 10.128 27.045 1.00 40.23 C +ATOM 8117 H ALA C 196 -26.876 8.724 29.059 1.00 15.00 H +ATOM 8118 N THR C 197 -29.723 11.664 29.491 1.00 58.08 N +ATOM 8119 CA THR C 197 -31.017 11.790 30.156 1.00 77.10 C +ATOM 8120 C THR C 197 -31.997 12.324 29.121 1.00 81.50 C +ATOM 8121 O THR C 197 -31.683 13.281 28.413 1.00 82.30 O +ATOM 8122 CB THR C 197 -30.954 12.769 31.345 1.00 83.72 C +ATOM 8123 OG1 THR C 197 -30.121 12.217 32.371 1.00 93.88 O +ATOM 8124 CG2 THR C 197 -32.350 13.029 31.912 1.00 90.82 C +ATOM 8125 H THR C 197 -29.245 12.477 29.227 1.00 15.00 H +ATOM 8126 HG1 THR C 197 -29.227 12.129 32.029 1.00 15.00 H +ATOM 8127 N HIS C 198 -33.186 11.735 29.043 1.00 89.90 N +ATOM 8128 CA HIS C 198 -34.166 12.171 28.047 1.00 96.24 C +ATOM 8129 C HIS C 198 -35.574 11.671 28.348 1.00 98.20 C +ATOM 8130 O HIS C 198 -35.771 10.482 28.581 1.00104.23 O +ATOM 8131 CB HIS C 198 -33.735 11.664 26.658 1.00 96.50 C +ATOM 8132 CG HIS C 198 -34.584 12.162 25.526 1.00 95.72 C +ATOM 8133 ND1 HIS C 198 -35.024 11.341 24.509 1.00 91.91 N +ATOM 8134 CD2 HIS C 198 -35.034 13.404 25.225 1.00 93.10 C +ATOM 8135 CE1 HIS C 198 -35.701 12.056 23.629 1.00 93.45 C +ATOM 8136 NE2 HIS C 198 -35.721 13.311 24.039 1.00 93.02 N +ATOM 8137 H HIS C 198 -33.427 10.994 29.646 1.00 15.00 H +ATOM 8138 HD1 HIS C 198 -34.917 10.366 24.441 1.00 15.00 H +ATOM 8139 HE2 HIS C 198 -36.077 14.078 23.536 1.00 15.00 H +ATOM 8140 N LYS C 199 -36.548 12.572 28.227 1.00 97.53 N +ATOM 8141 CA LYS C 199 -37.970 12.293 28.466 1.00 95.26 C +ATOM 8142 C LYS C 199 -38.450 10.866 28.177 1.00 90.11 C +ATOM 8143 O LYS C 199 -39.255 10.320 28.930 1.00 88.75 O +ATOM 8144 CB LYS C 199 -38.830 13.282 27.665 1.00100.92 C +ATOM 8145 CG LYS C 199 -40.344 13.114 27.828 1.00102.54 C +ATOM 8146 CD LYS C 199 -41.101 13.860 26.731 1.00100.80 C +ATOM 8147 CE LYS C 199 -42.607 13.652 26.832 1.00105.76 C +ATOM 8148 NZ LYS C 199 -43.336 14.185 25.638 1.00102.20 N +ATOM 8149 H LYS C 199 -36.300 13.490 28.001 1.00 15.00 H +ATOM 8150 HZ1 LYS C 199 -43.117 15.196 25.527 1.00 15.00 H +ATOM 8151 HZ2 LYS C 199 -43.022 13.671 24.791 1.00 15.00 H +ATOM 8152 HZ3 LYS C 199 -44.362 14.062 25.758 1.00 15.00 H +ATOM 8153 N THR C 200 -37.960 10.275 27.088 1.00 86.72 N +ATOM 8154 CA THR C 200 -38.353 8.925 26.687 1.00 86.27 C +ATOM 8155 C THR C 200 -38.128 7.847 27.735 1.00 85.76 C +ATOM 8156 O THR C 200 -38.902 6.897 27.823 1.00 88.34 O +ATOM 8157 CB THR C 200 -37.649 8.469 25.383 1.00 85.93 C +ATOM 8158 OG1 THR C 200 -36.228 8.626 25.509 1.00 86.07 O +ATOM 8159 CG2 THR C 200 -38.150 9.268 24.198 1.00 88.29 C +ATOM 8160 H THR C 200 -37.304 10.731 26.542 1.00 15.00 H +ATOM 8161 HG1 THR C 200 -35.948 7.937 26.130 1.00 15.00 H +ATOM 8162 N SER C 201 -37.060 7.978 28.509 1.00 87.77 N +ATOM 8163 CA SER C 201 -36.742 6.994 29.530 1.00 88.58 C +ATOM 8164 C SER C 201 -36.542 7.660 30.890 1.00 91.56 C +ATOM 8165 O SER C 201 -36.069 8.796 30.988 1.00 91.30 O +ATOM 8166 CB SER C 201 -35.483 6.212 29.122 1.00 83.31 C +ATOM 8167 OG SER C 201 -35.233 5.108 29.979 1.00 77.04 O +ATOM 8168 H SER C 201 -36.492 8.770 28.474 1.00 15.00 H +ATOM 8169 HG SER C 201 -34.272 5.005 30.076 1.00 15.00 H +ATOM 8170 N THR C 202 -36.941 6.945 31.934 1.00 97.58 N +ATOM 8171 CA THR C 202 -36.806 7.417 33.303 1.00 99.88 C +ATOM 8172 C THR C 202 -35.357 7.192 33.747 1.00 94.89 C +ATOM 8173 O THR C 202 -34.710 8.083 34.305 1.00 90.94 O +ATOM 8174 CB THR C 202 -37.789 6.660 34.220 1.00105.76 C +ATOM 8175 OG1 THR C 202 -37.769 5.261 33.889 1.00111.71 O +ATOM 8176 CG2 THR C 202 -39.210 7.200 34.038 1.00105.45 C +ATOM 8177 H THR C 202 -37.329 6.060 31.785 1.00 15.00 H +ATOM 8178 HG1 THR C 202 -38.394 4.790 34.456 1.00 15.00 H +ATOM 8179 N SER C 203 -34.853 5.992 33.479 1.00 91.78 N +ATOM 8180 CA SER C 203 -33.484 5.651 33.820 1.00 86.43 C +ATOM 8181 C SER C 203 -32.582 6.095 32.672 1.00 78.76 C +ATOM 8182 O SER C 203 -32.835 5.767 31.507 1.00 80.52 O +ATOM 8183 CB SER C 203 -33.343 4.144 34.085 1.00 92.61 C +ATOM 8184 OG SER C 203 -33.961 3.769 35.312 1.00 92.08 O +ATOM 8185 H SER C 203 -35.413 5.338 33.012 1.00 15.00 H +ATOM 8186 HG SER C 203 -34.897 3.976 35.269 1.00 15.00 H +ATOM 8187 N PRO C 204 -31.555 6.902 32.986 1.00 70.35 N +ATOM 8188 CA PRO C 204 -30.566 7.448 32.053 1.00 64.48 C +ATOM 8189 C PRO C 204 -29.965 6.393 31.122 1.00 61.80 C +ATOM 8190 O PRO C 204 -29.473 5.354 31.581 1.00 61.48 O +ATOM 8191 CB PRO C 204 -29.506 8.014 32.995 1.00 61.86 C +ATOM 8192 CG PRO C 204 -30.326 8.514 34.133 1.00 66.75 C +ATOM 8193 CD PRO C 204 -31.293 7.379 34.357 1.00 70.57 C +ATOM 8194 N ILE C 205 -30.018 6.654 29.818 1.00 54.88 N +ATOM 8195 CA ILE C 205 -29.467 5.724 28.843 1.00 50.98 C +ATOM 8196 C ILE C 205 -27.944 5.875 28.916 1.00 50.41 C +ATOM 8197 O ILE C 205 -27.408 6.980 28.810 1.00 52.96 O +ATOM 8198 CB ILE C 205 -30.124 5.915 27.418 1.00 46.21 C +ATOM 8199 CG1 ILE C 205 -29.338 5.175 26.339 1.00 43.82 C +ATOM 8200 CG2 ILE C 205 -30.381 7.365 27.104 1.00 35.58 C +ATOM 8201 CD1 ILE C 205 -29.582 3.682 26.333 1.00 54.97 C +ATOM 8202 H ILE C 205 -30.392 7.515 29.543 1.00 15.00 H +ATOM 8203 N VAL C 206 -27.268 4.768 29.211 1.00 52.11 N +ATOM 8204 CA VAL C 206 -25.819 4.761 29.390 1.00 51.67 C +ATOM 8205 C VAL C 206 -25.073 3.763 28.522 1.00 52.76 C +ATOM 8206 O VAL C 206 -25.478 2.606 28.400 1.00 59.56 O +ATOM 8207 CB VAL C 206 -25.482 4.411 30.855 1.00 52.35 C +ATOM 8208 CG1 VAL C 206 -23.986 4.338 31.062 1.00 52.39 C +ATOM 8209 CG2 VAL C 206 -26.117 5.416 31.803 1.00 58.72 C +ATOM 8210 H VAL C 206 -27.747 3.922 29.320 1.00 15.00 H +ATOM 8211 N LYS C 207 -23.957 4.209 27.959 1.00 52.84 N +ATOM 8212 CA LYS C 207 -23.107 3.361 27.132 1.00 53.15 C +ATOM 8213 C LYS C 207 -21.707 3.629 27.661 1.00 50.61 C +ATOM 8214 O LYS C 207 -21.307 4.789 27.798 1.00 58.70 O +ATOM 8215 CB LYS C 207 -23.214 3.757 25.654 1.00 53.63 C +ATOM 8216 CG LYS C 207 -23.492 2.589 24.703 1.00 67.52 C +ATOM 8217 CD LYS C 207 -24.884 1.990 24.934 1.00 82.46 C +ATOM 8218 CE LYS C 207 -25.161 0.774 24.041 1.00 86.20 C +ATOM 8219 NZ LYS C 207 -25.291 1.105 22.592 1.00 87.63 N +ATOM 8220 H LYS C 207 -23.685 5.145 28.097 1.00 15.00 H +ATOM 8221 HZ1 LYS C 207 -26.076 1.775 22.464 1.00 15.00 H +ATOM 8222 HZ2 LYS C 207 -24.407 1.539 22.257 1.00 15.00 H +ATOM 8223 HZ3 LYS C 207 -25.477 0.235 22.052 1.00 15.00 H +ATOM 8224 N SER C 208 -20.976 2.577 28.002 1.00 43.11 N +ATOM 8225 CA SER C 208 -19.643 2.771 28.540 1.00 39.18 C +ATOM 8226 C SER C 208 -18.641 1.841 27.892 1.00 32.96 C +ATOM 8227 O SER C 208 -19.031 0.875 27.234 1.00 40.35 O +ATOM 8228 CB SER C 208 -19.678 2.560 30.049 1.00 38.41 C +ATOM 8229 OG SER C 208 -18.510 3.080 30.639 1.00 48.66 O +ATOM 8230 H SER C 208 -21.288 1.658 27.878 1.00 15.00 H +ATOM 8231 HG SER C 208 -18.513 4.046 30.609 1.00 15.00 H +ATOM 8232 N PHE C 209 -17.357 2.157 28.042 1.00 32.18 N +ATOM 8233 CA PHE C 209 -16.277 1.336 27.482 1.00 38.99 C +ATOM 8234 C PHE C 209 -15.068 1.400 28.409 1.00 45.71 C +ATOM 8235 O PHE C 209 -14.848 2.416 29.070 1.00 47.80 O +ATOM 8236 CB PHE C 209 -15.895 1.790 26.049 1.00 34.26 C +ATOM 8237 CG PHE C 209 -14.778 2.825 25.977 1.00 32.97 C +ATOM 8238 CD1 PHE C 209 -15.056 4.186 26.016 1.00 28.38 C +ATOM 8239 CD2 PHE C 209 -13.450 2.430 25.833 1.00 31.50 C +ATOM 8240 CE1 PHE C 209 -14.030 5.127 25.912 1.00 32.05 C +ATOM 8241 CE2 PHE C 209 -12.420 3.374 25.729 1.00 27.15 C +ATOM 8242 CZ PHE C 209 -12.711 4.718 25.769 1.00 23.13 C +ATOM 8243 H PHE C 209 -17.123 2.955 28.572 1.00 15.00 H +ATOM 8244 N ASN C 210 -14.324 0.303 28.510 1.00 54.48 N +ATOM 8245 CA ASN C 210 -13.137 0.280 29.359 1.00 65.74 C +ATOM 8246 C ASN C 210 -11.912 0.120 28.477 1.00 68.27 C +ATOM 8247 O ASN C 210 -11.842 -0.797 27.653 1.00 74.35 O +ATOM 8248 CB ASN C 210 -13.228 -0.816 30.425 1.00 71.32 C +ATOM 8249 CG ASN C 210 -14.142 -0.426 31.583 1.00 81.37 C +ATOM 8250 OD1 ASN C 210 -13.681 -0.209 32.702 1.00 86.30 O +ATOM 8251 ND2 ASN C 210 -15.439 -0.320 31.313 1.00 77.47 N +ATOM 8252 H ASN C 210 -14.543 -0.490 27.982 1.00 15.00 H +ATOM 8253 HD21 ASN C 210 -16.001 -0.039 32.067 1.00 15.00 H +ATOM 8254 HD22 ASN C 210 -15.776 -0.499 30.419 1.00 15.00 H +ATOM 8255 N ARG C 211 -10.952 1.026 28.638 1.00 67.99 N +ATOM 8256 CA ARG C 211 -9.749 1.000 27.816 1.00 73.46 C +ATOM 8257 C ARG C 211 -8.837 -0.188 28.047 1.00 83.10 C +ATOM 8258 O ARG C 211 -7.821 -0.336 27.369 1.00 81.59 O +ATOM 8259 CB ARG C 211 -8.953 2.303 27.935 1.00 68.07 C +ATOM 8260 CG ARG C 211 -8.403 2.595 29.309 1.00 67.11 C +ATOM 8261 CD ARG C 211 -7.409 3.746 29.264 1.00 68.93 C +ATOM 8262 NE ARG C 211 -6.070 3.321 28.861 1.00 73.23 N +ATOM 8263 CZ ARG C 211 -5.103 2.988 29.713 1.00 79.56 C +ATOM 8264 NH1 ARG C 211 -5.325 3.027 31.022 1.00 76.71 N +ATOM 8265 NH2 ARG C 211 -3.907 2.624 29.258 1.00 84.41 N +ATOM 8266 H ARG C 211 -11.051 1.727 29.320 1.00 15.00 H +ATOM 8267 HE ARG C 211 -5.867 3.275 27.903 1.00 15.00 H +ATOM 8268 HH11 ARG C 211 -6.215 3.307 31.382 1.00 15.00 H +ATOM 8269 HH12 ARG C 211 -4.590 2.779 31.653 1.00 15.00 H +ATOM 8270 HH21 ARG C 211 -3.731 2.598 28.274 1.00 15.00 H +ATOM 8271 HH22 ARG C 211 -3.183 2.375 29.903 1.00 15.00 H +ATOM 8272 N ASN C 212 -9.209 -1.061 28.977 1.00 97.28 N +ATOM 8273 CA ASN C 212 -8.378 -2.221 29.260 1.00110.49 C +ATOM 8274 C ASN C 212 -8.183 -3.218 28.115 1.00121.01 C +ATOM 8275 O ASN C 212 -7.401 -4.157 28.248 1.00126.16 O +ATOM 8276 CB ASN C 212 -8.792 -2.908 30.562 1.00108.09 C +ATOM 8277 CG ASN C 212 -7.841 -2.589 31.708 1.00106.86 C +ATOM 8278 OD1 ASN C 212 -7.464 -3.468 32.482 1.00111.43 O +ATOM 8279 ND2 ASN C 212 -7.440 -1.328 31.813 1.00103.01 N +ATOM 8280 H ASN C 212 -10.037 -0.920 29.475 1.00 15.00 H +ATOM 8281 HD21 ASN C 212 -6.813 -1.153 32.542 1.00 15.00 H +ATOM 8282 HD22 ASN C 212 -7.762 -0.643 31.194 1.00 15.00 H +ATOM 8283 N GLU C 213 -8.862 -3.004 26.988 1.00130.41 N +ATOM 8284 CA GLU C 213 -8.709 -3.879 25.820 1.00137.17 C +ATOM 8285 C GLU C 213 -8.235 -3.091 24.596 1.00143.27 C +ATOM 8286 O GLU C 213 -7.245 -3.456 23.953 1.00144.35 O +ATOM 8287 CB GLU C 213 -10.004 -4.643 25.488 1.00133.19 C +ATOM 8288 CG GLU C 213 -11.300 -4.041 26.020 1.00128.97 C +ATOM 8289 CD GLU C 213 -11.621 -4.497 27.434 1.00128.98 C +ATOM 8290 OE1 GLU C 213 -11.519 -5.712 27.712 1.00127.13 O +ATOM 8291 OE2 GLU C 213 -11.982 -3.643 28.270 1.00129.40 O +ATOM 8292 H GLU C 213 -9.441 -2.220 26.900 1.00 15.00 H +ATOM 8293 N CYS C 214 -8.944 -2.012 24.283 1.00148.69 N +ATOM 8294 CA CYS C 214 -8.607 -1.167 23.146 1.00152.16 C +ATOM 8295 C CYS C 214 -8.459 0.288 23.585 1.00154.01 C +ATOM 8296 O CYS C 214 -7.614 0.997 22.999 1.00155.93 O +ATOM 8297 CB CYS C 214 -9.674 -1.285 22.057 1.00153.18 C +ATOM 8298 SG CYS C 214 -11.402 -1.099 22.621 1.00155.13 S +ATOM 8299 OXT CYS C 214 -9.165 0.693 24.533 1.00155.48 O +ATOM 8300 H CYS C 214 -9.695 -1.690 24.819 1.00 15.00 H +TER 8301 CYS C 214 +ATOM 8302 N GLU D 1 -31.765 25.878 -17.451 1.00 92.88 N +ATOM 8303 CA GLU D 1 -32.111 26.381 -16.088 1.00 91.61 C +ATOM 8304 C GLU D 1 -31.261 27.628 -15.855 1.00 82.80 C +ATOM 8305 O GLU D 1 -30.376 27.925 -16.654 1.00 81.49 O +ATOM 8306 CB GLU D 1 -31.784 25.314 -15.028 1.00105.19 C +ATOM 8307 CG GLU D 1 -32.306 25.615 -13.611 1.00118.83 C +ATOM 8308 CD GLU D 1 -31.689 24.723 -12.530 1.00128.50 C +ATOM 8309 OE1 GLU D 1 -31.642 23.487 -12.717 1.00134.91 O +ATOM 8310 OE2 GLU D 1 -31.253 25.261 -11.485 1.00129.20 O +ATOM 8311 H1 GLU D 1 -30.721 25.821 -17.452 1.00 15.00 H +ATOM 8312 H2 GLU D 1 -32.213 24.976 -17.690 1.00 15.00 H +ATOM 8313 H3 GLU D 1 -32.005 26.629 -18.129 1.00 15.00 H +ATOM 8314 N VAL D 2 -31.555 28.358 -14.783 1.00 72.27 N +ATOM 8315 CA VAL D 2 -30.818 29.567 -14.414 1.00 63.12 C +ATOM 8316 C VAL D 2 -29.858 29.254 -13.260 1.00 56.61 C +ATOM 8317 O VAL D 2 -30.270 28.709 -12.235 1.00 60.96 O +ATOM 8318 CB VAL D 2 -31.784 30.718 -14.000 1.00 61.18 C +ATOM 8319 CG1 VAL D 2 -32.948 30.177 -13.194 1.00 68.69 C +ATOM 8320 CG2 VAL D 2 -31.048 31.773 -13.183 1.00 63.42 C +ATOM 8321 H VAL D 2 -32.260 28.076 -14.169 1.00 15.00 H +ATOM 8322 N LYS D 3 -28.584 29.593 -13.431 1.00 49.09 N +ATOM 8323 CA LYS D 3 -27.585 29.332 -12.405 1.00 43.51 C +ATOM 8324 C LYS D 3 -26.747 30.546 -12.034 1.00 37.98 C +ATOM 8325 O LYS D 3 -26.472 31.406 -12.866 1.00 41.36 O +ATOM 8326 CB LYS D 3 -26.662 28.189 -12.843 1.00 57.39 C +ATOM 8327 CG LYS D 3 -27.361 26.835 -13.005 1.00 79.95 C +ATOM 8328 CD LYS D 3 -26.374 25.687 -13.234 1.00 94.86 C +ATOM 8329 CE LYS D 3 -25.630 25.814 -14.561 1.00103.34 C +ATOM 8330 NZ LYS D 3 -24.656 24.698 -14.774 1.00110.92 N +ATOM 8331 H LYS D 3 -28.293 30.011 -14.265 1.00 15.00 H +ATOM 8332 HZ1 LYS D 3 -25.164 23.790 -14.750 1.00 15.00 H +ATOM 8333 HZ2 LYS D 3 -24.184 24.810 -15.694 1.00 15.00 H +ATOM 8334 HZ3 LYS D 3 -23.945 24.720 -14.016 1.00 15.00 H +ATOM 8335 N LEU D 4 -26.355 30.608 -10.767 1.00 38.60 N +ATOM 8336 CA LEU D 4 -25.510 31.680 -10.244 1.00 31.17 C +ATOM 8337 C LEU D 4 -24.439 30.996 -9.351 1.00 25.52 C +ATOM 8338 O LEU D 4 -24.731 30.550 -8.245 1.00 37.30 O +ATOM 8339 CB LEU D 4 -26.359 32.694 -9.454 1.00 6.64 C +ATOM 8340 CG LEU D 4 -27.608 33.267 -10.157 1.00 18.30 C +ATOM 8341 CD1 LEU D 4 -28.434 34.208 -9.253 1.00 2.28 C +ATOM 8342 CD2 LEU D 4 -27.176 34.019 -11.380 1.00 9.65 C +ATOM 8343 H LEU D 4 -26.643 29.910 -10.141 1.00 15.00 H +ATOM 8344 N GLN D 5 -23.233 30.826 -9.874 1.00 6.07 N +ATOM 8345 CA GLN D 5 -22.160 30.187 -9.134 1.00 16.40 C +ATOM 8346 C GLN D 5 -21.201 31.241 -8.605 1.00 20.40 C +ATOM 8347 O GLN D 5 -20.545 31.914 -9.398 1.00 29.83 O +ATOM 8348 CB GLN D 5 -21.374 29.245 -10.052 1.00 20.10 C +ATOM 8349 CG GLN D 5 -22.228 28.385 -10.977 1.00 51.33 C +ATOM 8350 CD GLN D 5 -21.554 28.097 -12.331 1.00 76.49 C +ATOM 8351 OE1 GLN D 5 -21.606 28.918 -13.255 1.00 79.96 O +ATOM 8352 NE2 GLN D 5 -20.941 26.919 -12.456 1.00 83.63 N +ATOM 8353 H GLN D 5 -23.036 31.176 -10.774 1.00 15.00 H +ATOM 8354 HE21 GLN D 5 -20.515 26.750 -13.321 1.00 15.00 H +ATOM 8355 HE22 GLN D 5 -20.945 26.298 -11.701 1.00 15.00 H +ATOM 8356 N GLU D 6 -21.117 31.401 -7.282 1.00 21.05 N +ATOM 8357 CA GLU D 6 -20.183 32.374 -6.704 1.00 14.13 C +ATOM 8358 C GLU D 6 -18.826 31.730 -6.583 1.00 11.21 C +ATOM 8359 O GLU D 6 -18.711 30.499 -6.556 1.00 14.47 O +ATOM 8360 CB GLU D 6 -20.600 32.853 -5.318 1.00 2.00 C +ATOM 8361 CG GLU D 6 -21.797 33.731 -5.296 1.00 2.00 C +ATOM 8362 CD GLU D 6 -23.090 32.964 -5.132 1.00 8.47 C +ATOM 8363 OE1 GLU D 6 -23.152 31.763 -5.499 1.00 2.00 O +ATOM 8364 OE2 GLU D 6 -24.058 33.580 -4.641 1.00 8.66 O +ATOM 8365 H GLU D 6 -21.617 30.820 -6.676 1.00 15.00 H +ATOM 8366 N SER D 7 -17.808 32.568 -6.458 1.00 3.47 N +ATOM 8367 CA SER D 7 -16.437 32.111 -6.337 1.00 17.53 C +ATOM 8368 C SER D 7 -15.604 33.144 -5.603 1.00 26.41 C +ATOM 8369 O SER D 7 -16.061 34.264 -5.370 1.00 30.31 O +ATOM 8370 CB SER D 7 -15.840 31.873 -7.718 1.00 13.33 C +ATOM 8371 OG SER D 7 -16.229 30.613 -8.217 1.00 37.14 O +ATOM 8372 H SER D 7 -17.964 33.538 -6.453 1.00 15.00 H +ATOM 8373 HG SER D 7 -17.166 30.447 -8.024 1.00 15.00 H +ATOM 8374 N GLY D 8 -14.398 32.747 -5.206 1.00 27.54 N +ATOM 8375 CA GLY D 8 -13.510 33.666 -4.525 1.00 37.58 C +ATOM 8376 C GLY D 8 -13.690 33.816 -3.031 1.00 46.00 C +ATOM 8377 O GLY D 8 -13.322 34.843 -2.468 1.00 55.82 O +ATOM 8378 H GLY D 8 -14.103 31.829 -5.367 1.00 15.00 H +ATOM 8379 N GLY D 9 -14.298 32.826 -2.391 1.00 48.49 N +ATOM 8380 CA GLY D 9 -14.452 32.888 -0.950 1.00 38.10 C +ATOM 8381 C GLY D 9 -13.132 32.446 -0.345 1.00 29.04 C +ATOM 8382 O GLY D 9 -12.321 31.804 -1.027 1.00 26.30 O +ATOM 8383 H GLY D 9 -14.632 32.045 -2.863 1.00 15.00 H +ATOM 8384 N GLY D 10 -12.906 32.782 0.920 1.00 28.71 N +ATOM 8385 CA GLY D 10 -11.667 32.402 1.577 1.00 23.14 C +ATOM 8386 C GLY D 10 -11.455 33.111 2.899 1.00 23.47 C +ATOM 8387 O GLY D 10 -12.413 33.524 3.560 1.00 30.74 O +ATOM 8388 H GLY D 10 -13.591 33.265 1.430 1.00 15.00 H +ATOM 8389 N LEU D 11 -10.195 33.263 3.283 1.00 21.03 N +ATOM 8390 CA LEU D 11 -9.851 33.926 4.532 1.00 15.01 C +ATOM 8391 C LEU D 11 -8.980 35.134 4.237 1.00 17.08 C +ATOM 8392 O LEU D 11 -8.143 35.090 3.325 1.00 10.47 O +ATOM 8393 CB LEU D 11 -9.089 32.958 5.454 1.00 16.06 C +ATOM 8394 CG LEU D 11 -8.180 33.469 6.595 1.00 19.39 C +ATOM 8395 CD1 LEU D 11 -8.969 33.769 7.884 1.00 4.94 C +ATOM 8396 CD2 LEU D 11 -7.076 32.432 6.858 1.00 2.23 C +ATOM 8397 H LEU D 11 -9.451 32.972 2.716 1.00 15.00 H +ATOM 8398 N VAL D 12 -9.206 36.218 4.979 1.00 9.11 N +ATOM 8399 CA VAL D 12 -8.404 37.424 4.839 1.00 11.37 C +ATOM 8400 C VAL D 12 -8.247 38.151 6.144 1.00 15.22 C +ATOM 8401 O VAL D 12 -9.206 38.337 6.897 1.00 20.42 O +ATOM 8402 CB VAL D 12 -8.934 38.408 3.806 1.00 13.46 C +ATOM 8403 CG1 VAL D 12 -8.337 38.085 2.465 1.00 13.20 C +ATOM 8404 CG2 VAL D 12 -10.458 38.390 3.771 1.00 14.33 C +ATOM 8405 H VAL D 12 -9.937 36.207 5.636 1.00 15.00 H +ATOM 8406 N GLN D 13 -7.016 38.573 6.393 1.00 14.14 N +ATOM 8407 CA GLN D 13 -6.681 39.272 7.611 1.00 17.26 C +ATOM 8408 C GLN D 13 -7.499 40.540 7.623 1.00 15.18 C +ATOM 8409 O GLN D 13 -7.988 40.970 6.587 1.00 21.27 O +ATOM 8410 CB GLN D 13 -5.192 39.639 7.632 1.00 33.00 C +ATOM 8411 CG GLN D 13 -4.262 38.648 6.950 1.00 51.57 C +ATOM 8412 CD GLN D 13 -4.261 38.809 5.433 1.00 71.11 C +ATOM 8413 OE1 GLN D 13 -3.972 39.888 4.910 1.00 78.66 O +ATOM 8414 NE2 GLN D 13 -4.611 37.739 4.722 1.00 78.25 N +ATOM 8415 H GLN D 13 -6.403 38.434 5.660 1.00 15.00 H +ATOM 8416 HE21 GLN D 13 -4.619 37.856 3.746 1.00 15.00 H +ATOM 8417 HE22 GLN D 13 -4.833 36.899 5.175 1.00 15.00 H +ATOM 8418 N PRO D 14 -7.798 41.066 8.810 1.00 15.51 N +ATOM 8419 CA PRO D 14 -8.568 42.303 8.837 1.00 19.58 C +ATOM 8420 C PRO D 14 -7.810 43.334 8.010 1.00 33.56 C +ATOM 8421 O PRO D 14 -6.576 43.253 7.883 1.00 36.11 O +ATOM 8422 CB PRO D 14 -8.544 42.661 10.309 1.00 7.32 C +ATOM 8423 CG PRO D 14 -8.727 41.336 10.929 1.00 23.02 C +ATOM 8424 CD PRO D 14 -7.789 40.435 10.137 1.00 14.30 C +ATOM 8425 N GLY D 15 -8.552 44.252 7.396 1.00 35.36 N +ATOM 8426 CA GLY D 15 -7.943 45.289 6.583 1.00 39.00 C +ATOM 8427 C GLY D 15 -7.473 44.858 5.200 1.00 37.63 C +ATOM 8428 O GLY D 15 -6.849 45.652 4.490 1.00 36.24 O +ATOM 8429 H GLY D 15 -9.508 44.223 7.484 1.00 15.00 H +ATOM 8430 N GLY D 16 -7.777 43.621 4.811 1.00 36.60 N +ATOM 8431 CA GLY D 16 -7.372 43.118 3.505 1.00 41.26 C +ATOM 8432 C GLY D 16 -8.506 43.089 2.491 1.00 43.54 C +ATOM 8433 O GLY D 16 -9.672 42.965 2.859 1.00 52.38 O +ATOM 8434 H GLY D 16 -8.272 43.016 5.403 1.00 15.00 H +ATOM 8435 N SER D 17 -8.168 43.176 1.211 1.00 39.25 N +ATOM 8436 CA SER D 17 -9.173 43.177 0.162 1.00 27.26 C +ATOM 8437 C SER D 17 -9.494 41.776 -0.371 1.00 28.46 C +ATOM 8438 O SER D 17 -8.660 40.855 -0.326 1.00 20.43 O +ATOM 8439 CB SER D 17 -8.718 44.087 -0.982 1.00 28.52 C +ATOM 8440 OG SER D 17 -8.451 45.405 -0.527 1.00 32.04 O +ATOM 8441 H SER D 17 -7.227 43.203 0.957 1.00 15.00 H +ATOM 8442 HG SER D 17 -8.135 45.375 0.386 1.00 15.00 H +ATOM 8443 N LEU D 18 -10.697 41.645 -0.917 1.00 28.33 N +ATOM 8444 CA LEU D 18 -11.180 40.392 -1.482 1.00 24.23 C +ATOM 8445 C LEU D 18 -12.142 40.745 -2.615 1.00 20.21 C +ATOM 8446 O LEU D 18 -12.949 41.679 -2.481 1.00 17.95 O +ATOM 8447 CB LEU D 18 -11.944 39.605 -0.413 1.00 27.35 C +ATOM 8448 CG LEU D 18 -11.630 38.138 -0.118 1.00 21.45 C +ATOM 8449 CD1 LEU D 18 -12.934 37.465 0.209 1.00 30.23 C +ATOM 8450 CD2 LEU D 18 -10.959 37.427 -1.281 1.00 26.88 C +ATOM 8451 H LEU D 18 -11.287 42.429 -0.956 1.00 15.00 H +ATOM 8452 N LYS D 19 -12.083 39.991 -3.708 1.00 9.67 N +ATOM 8453 CA LYS D 19 -12.961 40.246 -4.848 1.00 15.92 C +ATOM 8454 C LYS D 19 -13.783 39.007 -5.208 1.00 13.88 C +ATOM 8455 O LYS D 19 -13.256 38.017 -5.693 1.00 14.66 O +ATOM 8456 CB LYS D 19 -12.136 40.720 -6.046 1.00 21.60 C +ATOM 8457 CG LYS D 19 -12.918 41.043 -7.304 1.00 9.70 C +ATOM 8458 CD LYS D 19 -11.966 41.610 -8.358 1.00 36.65 C +ATOM 8459 CE LYS D 19 -12.704 42.164 -9.582 1.00 45.39 C +ATOM 8460 NZ LYS D 19 -11.884 43.161 -10.352 1.00 41.55 N +ATOM 8461 H LYS D 19 -11.473 39.229 -3.765 1.00 15.00 H +ATOM 8462 HZ1 LYS D 19 -10.997 42.719 -10.657 1.00 15.00 H +ATOM 8463 HZ2 LYS D 19 -12.416 43.486 -11.183 1.00 15.00 H +ATOM 8464 HZ3 LYS D 19 -11.675 43.973 -9.740 1.00 15.00 H +ATOM 8465 N LEU D 20 -15.071 39.051 -4.906 1.00 14.24 N +ATOM 8466 CA LEU D 20 -15.958 37.943 -5.198 1.00 17.91 C +ATOM 8467 C LEU D 20 -16.518 38.015 -6.622 1.00 17.47 C +ATOM 8468 O LEU D 20 -16.847 39.095 -7.114 1.00 30.96 O +ATOM 8469 CB LEU D 20 -17.099 37.927 -4.177 1.00 11.62 C +ATOM 8470 CG LEU D 20 -16.673 37.651 -2.739 1.00 11.85 C +ATOM 8471 CD1 LEU D 20 -17.851 37.728 -1.787 1.00 2.00 C +ATOM 8472 CD2 LEU D 20 -16.025 36.270 -2.677 1.00 19.35 C +ATOM 8473 H LEU D 20 -15.437 39.825 -4.452 1.00 15.00 H +ATOM 8474 N SER D 21 -16.609 36.865 -7.278 1.00 9.55 N +ATOM 8475 CA SER D 21 -17.143 36.766 -8.629 1.00 2.00 C +ATOM 8476 C SER D 21 -18.418 35.937 -8.539 1.00 11.26 C +ATOM 8477 O SER D 21 -18.491 34.998 -7.748 1.00 22.53 O +ATOM 8478 CB SER D 21 -16.158 36.046 -9.552 1.00 2.00 C +ATOM 8479 OG SER D 21 -14.876 36.640 -9.497 1.00 18.69 O +ATOM 8480 H SER D 21 -16.311 36.040 -6.830 1.00 15.00 H +ATOM 8481 HG SER D 21 -14.942 37.586 -9.652 1.00 15.00 H +ATOM 8482 N CYS D 22 -19.430 36.294 -9.321 1.00 13.63 N +ATOM 8483 CA CYS D 22 -20.679 35.549 -9.330 1.00 14.12 C +ATOM 8484 C CYS D 22 -21.089 35.214 -10.762 1.00 11.71 C +ATOM 8485 O CYS D 22 -21.976 35.842 -11.334 1.00 6.28 O +ATOM 8486 CB CYS D 22 -21.767 36.328 -8.618 1.00 2.02 C +ATOM 8487 SG CYS D 22 -23.414 35.837 -9.158 1.00 19.58 S +ATOM 8488 H CYS D 22 -19.337 37.075 -9.901 1.00 15.00 H +ATOM 8489 N ALA D 23 -20.383 34.253 -11.353 1.00 8.72 N +ATOM 8490 CA ALA D 23 -20.644 33.829 -12.725 1.00 14.45 C +ATOM 8491 C ALA D 23 -22.088 33.396 -12.881 1.00 23.16 C +ATOM 8492 O ALA D 23 -22.564 32.481 -12.213 1.00 30.52 O +ATOM 8493 CB ALA D 23 -19.723 32.709 -13.125 1.00 12.46 C +ATOM 8494 H ALA D 23 -19.723 33.761 -10.813 1.00 15.00 H +ATOM 8495 N THR D 24 -22.780 34.082 -13.771 1.00 27.20 N +ATOM 8496 CA THR D 24 -24.172 33.819 -14.052 1.00 26.87 C +ATOM 8497 C THR D 24 -24.261 33.210 -15.434 1.00 29.11 C +ATOM 8498 O THR D 24 -23.479 33.572 -16.308 1.00 29.84 O +ATOM 8499 CB THR D 24 -24.922 35.135 -14.079 1.00 29.16 C +ATOM 8500 OG1 THR D 24 -25.075 35.631 -12.746 1.00 45.34 O +ATOM 8501 CG2 THR D 24 -26.255 34.963 -14.721 1.00 39.47 C +ATOM 8502 H THR D 24 -22.357 34.798 -14.284 1.00 15.00 H +ATOM 8503 HG1 THR D 24 -24.233 35.621 -12.273 1.00 15.00 H +ATOM 8504 N SER D 25 -25.215 32.308 -15.640 1.00 30.53 N +ATOM 8505 CA SER D 25 -25.409 31.680 -16.943 1.00 34.95 C +ATOM 8506 C SER D 25 -26.704 30.888 -17.070 1.00 34.78 C +ATOM 8507 O SER D 25 -26.763 29.724 -16.697 1.00 35.72 O +ATOM 8508 CB SER D 25 -24.211 30.791 -17.325 1.00 47.39 C +ATOM 8509 OG SER D 25 -23.135 31.549 -17.883 1.00 63.02 O +ATOM 8510 H SER D 25 -25.773 32.026 -14.882 1.00 15.00 H +ATOM 8511 HG SER D 25 -22.766 32.134 -17.214 1.00 15.00 H +ATOM 8512 N GLY D 26 -27.727 31.538 -17.622 1.00 42.43 N +ATOM 8513 CA GLY D 26 -29.027 30.912 -17.839 1.00 31.78 C +ATOM 8514 C GLY D 26 -30.101 31.908 -18.270 1.00 28.50 C +ATOM 8515 O GLY D 26 -31.291 31.569 -18.375 1.00 20.04 O +ATOM 8516 H GLY D 26 -27.588 32.465 -17.893 1.00 15.00 H +ATOM 8517 N PHE D 27 -29.676 33.146 -18.522 1.00 26.67 N +ATOM 8518 CA PHE D 27 -30.582 34.216 -18.908 1.00 24.64 C +ATOM 8519 C PHE D 27 -29.832 35.441 -19.458 1.00 28.00 C +ATOM 8520 O PHE D 27 -28.606 35.409 -19.635 1.00 43.14 O +ATOM 8521 CB PHE D 27 -31.421 34.620 -17.706 1.00 16.41 C +ATOM 8522 CG PHE D 27 -30.611 35.177 -16.578 1.00 23.92 C +ATOM 8523 CD1 PHE D 27 -30.105 34.348 -15.593 1.00 21.95 C +ATOM 8524 CD2 PHE D 27 -30.366 36.536 -16.489 1.00 28.63 C +ATOM 8525 CE1 PHE D 27 -29.381 34.867 -14.549 1.00 11.28 C +ATOM 8526 CE2 PHE D 27 -29.635 37.055 -15.438 1.00 16.30 C +ATOM 8527 CZ PHE D 27 -29.147 36.225 -14.475 1.00 7.46 C +ATOM 8528 H PHE D 27 -28.736 33.397 -18.506 1.00 15.00 H +ATOM 8529 N THR D 28 -30.567 36.524 -19.691 1.00 18.08 N +ATOM 8530 CA THR D 28 -29.979 37.725 -20.239 1.00 23.18 C +ATOM 8531 C THR D 28 -29.590 38.681 -19.131 1.00 20.88 C +ATOM 8532 O THR D 28 -30.382 39.522 -18.687 1.00 28.22 O +ATOM 8533 CB THR D 28 -30.939 38.396 -21.212 1.00 34.51 C +ATOM 8534 OG1 THR D 28 -31.692 37.384 -21.900 1.00 40.95 O +ATOM 8535 CG2 THR D 28 -30.153 39.224 -22.228 1.00 22.27 C +ATOM 8536 H THR D 28 -31.534 36.527 -19.556 1.00 15.00 H +ATOM 8537 HG1 THR D 28 -32.258 37.803 -22.557 1.00 15.00 H +ATOM 8538 N PHE D 29 -28.352 38.522 -18.691 1.00 8.90 N +ATOM 8539 CA PHE D 29 -27.769 39.302 -17.613 1.00 7.53 C +ATOM 8540 C PHE D 29 -28.137 40.774 -17.696 1.00 8.43 C +ATOM 8541 O PHE D 29 -28.776 41.318 -16.789 1.00 7.49 O +ATOM 8542 CB PHE D 29 -26.243 39.118 -17.638 1.00 17.19 C +ATOM 8543 CG PHE D 29 -25.533 39.605 -16.409 1.00 13.50 C +ATOM 8544 CD1 PHE D 29 -25.892 39.144 -15.145 1.00 24.88 C +ATOM 8545 CD2 PHE D 29 -24.481 40.502 -16.516 1.00 15.10 C +ATOM 8546 CE1 PHE D 29 -25.206 39.568 -14.012 1.00 21.60 C +ATOM 8547 CE2 PHE D 29 -23.789 40.931 -15.391 1.00 15.68 C +ATOM 8548 CZ PHE D 29 -24.151 40.464 -14.138 1.00 23.52 C +ATOM 8549 H PHE D 29 -27.816 37.812 -19.109 1.00 15.00 H +ATOM 8550 N SER D 30 -27.853 41.369 -18.846 1.00 7.32 N +ATOM 8551 CA SER D 30 -28.093 42.786 -19.066 1.00 7.64 C +ATOM 8552 C SER D 30 -29.512 43.263 -18.856 1.00 9.44 C +ATOM 8553 O SER D 30 -29.772 44.463 -18.882 1.00 11.20 O +ATOM 8554 CB SER D 30 -27.605 43.184 -20.459 1.00 13.89 C +ATOM 8555 OG SER D 30 -27.849 42.149 -21.395 1.00 26.81 O +ATOM 8556 H SER D 30 -27.476 40.863 -19.594 1.00 15.00 H +ATOM 8557 HG SER D 30 -27.578 42.464 -22.267 1.00 15.00 H +ATOM 8558 N ASP D 31 -30.423 42.330 -18.613 1.00 11.28 N +ATOM 8559 CA ASP D 31 -31.813 42.677 -18.428 1.00 9.70 C +ATOM 8560 C ASP D 31 -32.260 42.731 -16.988 1.00 15.31 C +ATOM 8561 O ASP D 31 -33.456 42.943 -16.721 1.00 13.49 O +ATOM 8562 CB ASP D 31 -32.687 41.690 -19.188 1.00 23.69 C +ATOM 8563 CG ASP D 31 -32.786 42.008 -20.662 1.00 28.05 C +ATOM 8564 OD1 ASP D 31 -32.130 42.971 -21.142 1.00 33.48 O +ATOM 8565 OD2 ASP D 31 -33.548 41.286 -21.335 1.00 35.05 O +ATOM 8566 H ASP D 31 -30.178 41.396 -18.528 1.00 15.00 H +ATOM 8567 N TYR D 32 -31.322 42.527 -16.062 1.00 16.18 N +ATOM 8568 CA TYR D 32 -31.656 42.533 -14.637 1.00 15.29 C +ATOM 8569 C TYR D 32 -30.676 43.286 -13.743 1.00 17.64 C +ATOM 8570 O TYR D 32 -29.501 43.456 -14.078 1.00 11.08 O +ATOM 8571 CB TYR D 32 -31.761 41.099 -14.114 1.00 4.28 C +ATOM 8572 CG TYR D 32 -32.724 40.217 -14.856 1.00 2.00 C +ATOM 8573 CD1 TYR D 32 -32.343 39.561 -16.035 1.00 2.00 C +ATOM 8574 CD2 TYR D 32 -34.018 40.047 -14.395 1.00 2.00 C +ATOM 8575 CE1 TYR D 32 -33.245 38.763 -16.735 1.00 7.31 C +ATOM 8576 CE2 TYR D 32 -34.930 39.248 -15.083 1.00 2.00 C +ATOM 8577 CZ TYR D 32 -34.545 38.616 -16.245 1.00 9.30 C +ATOM 8578 OH TYR D 32 -35.472 37.843 -16.910 1.00 32.87 O +ATOM 8579 H TYR D 32 -30.380 42.415 -16.318 1.00 15.00 H +ATOM 8580 HH TYR D 32 -35.112 37.544 -17.748 1.00 15.00 H +ATOM 8581 N TYR D 33 -31.189 43.782 -12.620 1.00 24.26 N +ATOM 8582 CA TYR D 33 -30.354 44.455 -11.633 1.00 34.16 C +ATOM 8583 C TYR D 33 -29.881 43.278 -10.785 1.00 35.48 C +ATOM 8584 O TYR D 33 -30.671 42.359 -10.545 1.00 35.23 O +ATOM 8585 CB TYR D 33 -31.191 45.351 -10.726 1.00 44.88 C +ATOM 8586 CG TYR D 33 -32.003 46.420 -11.408 1.00 57.79 C +ATOM 8587 CD1 TYR D 33 -31.549 47.044 -12.566 1.00 66.56 C +ATOM 8588 CD2 TYR D 33 -33.203 46.854 -10.853 1.00 64.76 C +ATOM 8589 CE1 TYR D 33 -32.265 48.078 -13.154 1.00 69.95 C +ATOM 8590 CE2 TYR D 33 -33.928 47.889 -11.428 1.00 74.69 C +ATOM 8591 CZ TYR D 33 -33.453 48.500 -12.579 1.00 75.27 C +ATOM 8592 OH TYR D 33 -34.156 49.544 -13.139 1.00 85.03 O +ATOM 8593 H TYR D 33 -32.141 43.655 -12.466 1.00 15.00 H +ATOM 8594 HH TYR D 33 -34.889 49.786 -12.568 1.00 15.00 H +ATOM 8595 N MET D 34 -28.620 43.264 -10.362 1.00 28.24 N +ATOM 8596 CA MET D 34 -28.141 42.162 -9.528 1.00 16.80 C +ATOM 8597 C MET D 34 -27.956 42.641 -8.097 1.00 16.82 C +ATOM 8598 O MET D 34 -27.991 43.849 -7.839 1.00 17.52 O +ATOM 8599 CB MET D 34 -26.830 41.598 -10.064 1.00 9.05 C +ATOM 8600 CG MET D 34 -26.950 40.979 -11.431 1.00 4.24 C +ATOM 8601 SD MET D 34 -28.094 39.615 -11.451 1.00 12.97 S +ATOM 8602 CE MET D 34 -27.045 38.164 -11.342 1.00 11.34 C +ATOM 8603 H MET D 34 -28.019 44.001 -10.602 1.00 15.00 H +ATOM 8604 N TYR D 35 -27.835 41.704 -7.162 1.00 12.32 N +ATOM 8605 CA TYR D 35 -27.615 42.070 -5.767 1.00 16.94 C +ATOM 8606 C TYR D 35 -26.651 41.128 -5.105 1.00 8.51 C +ATOM 8607 O TYR D 35 -26.379 40.050 -5.609 1.00 12.97 O +ATOM 8608 CB TYR D 35 -28.875 41.979 -4.944 1.00 8.25 C +ATOM 8609 CG TYR D 35 -30.020 42.813 -5.385 1.00 8.78 C +ATOM 8610 CD1 TYR D 35 -30.115 44.148 -5.011 1.00 15.45 C +ATOM 8611 CD2 TYR D 35 -31.116 42.221 -6.013 1.00 16.57 C +ATOM 8612 CE1 TYR D 35 -31.297 44.868 -5.231 1.00 21.76 C +ATOM 8613 CE2 TYR D 35 -32.294 42.924 -6.237 1.00 2.00 C +ATOM 8614 CZ TYR D 35 -32.382 44.236 -5.837 1.00 10.02 C +ATOM 8615 OH TYR D 35 -33.579 44.883 -5.982 1.00 16.71 O +ATOM 8616 H TYR D 35 -27.917 40.754 -7.381 1.00 15.00 H +ATOM 8617 HH TYR D 35 -33.448 45.786 -5.649 1.00 15.00 H +ATOM 8618 N TRP D 36 -26.156 41.544 -3.952 1.00 6.77 N +ATOM 8619 CA TRP D 36 -25.264 40.728 -3.165 1.00 7.24 C +ATOM 8620 C TRP D 36 -25.842 40.829 -1.793 1.00 12.47 C +ATOM 8621 O TRP D 36 -26.153 41.922 -1.330 1.00 27.26 O +ATOM 8622 CB TRP D 36 -23.875 41.304 -3.127 1.00 2.00 C +ATOM 8623 CG TRP D 36 -23.019 40.881 -4.225 1.00 2.41 C +ATOM 8624 CD1 TRP D 36 -22.584 41.650 -5.255 1.00 8.78 C +ATOM 8625 CD2 TRP D 36 -22.426 39.600 -4.401 1.00 6.63 C +ATOM 8626 NE1 TRP D 36 -21.745 40.935 -6.068 1.00 8.48 N +ATOM 8627 CE2 TRP D 36 -21.631 39.666 -5.570 1.00 6.80 C +ATOM 8628 CE3 TRP D 36 -22.480 38.402 -3.687 1.00 9.12 C +ATOM 8629 CZ2 TRP D 36 -20.898 38.577 -6.045 1.00 2.00 C +ATOM 8630 CZ3 TRP D 36 -21.746 37.314 -4.160 1.00 4.51 C +ATOM 8631 CH2 TRP D 36 -20.966 37.413 -5.330 1.00 2.00 C +ATOM 8632 H TRP D 36 -26.421 42.431 -3.623 1.00 15.00 H +ATOM 8633 HE1 TRP D 36 -21.276 41.327 -6.839 1.00 15.00 H +ATOM 8634 N VAL D 37 -26.033 39.695 -1.155 1.00 13.15 N +ATOM 8635 CA VAL D 37 -26.562 39.674 0.188 1.00 18.29 C +ATOM 8636 C VAL D 37 -25.731 38.669 0.951 1.00 24.25 C +ATOM 8637 O VAL D 37 -25.319 37.654 0.396 1.00 23.72 O +ATOM 8638 CB VAL D 37 -28.016 39.247 0.187 1.00 16.19 C +ATOM 8639 CG1 VAL D 37 -28.888 40.437 -0.101 1.00 24.19 C +ATOM 8640 CG2 VAL D 37 -28.237 38.175 -0.864 1.00 8.51 C +ATOM 8641 H VAL D 37 -25.788 38.835 -1.506 1.00 15.00 H +ATOM 8642 N ARG D 38 -25.388 38.990 2.185 1.00 22.95 N +ATOM 8643 CA ARG D 38 -24.609 38.057 2.969 1.00 18.06 C +ATOM 8644 C ARG D 38 -25.464 37.620 4.124 1.00 24.69 C +ATOM 8645 O ARG D 38 -26.444 38.293 4.464 1.00 15.74 O +ATOM 8646 CB ARG D 38 -23.342 38.694 3.503 1.00 15.49 C +ATOM 8647 CG ARG D 38 -23.583 39.820 4.497 1.00 17.34 C +ATOM 8648 CD ARG D 38 -22.257 40.351 4.999 1.00 9.46 C +ATOM 8649 NE ARG D 38 -22.417 41.541 5.821 1.00 8.17 N +ATOM 8650 CZ ARG D 38 -21.484 42.480 5.934 1.00 14.78 C +ATOM 8651 NH1 ARG D 38 -20.338 42.367 5.277 1.00 10.93 N +ATOM 8652 NH2 ARG D 38 -21.679 43.518 6.730 1.00 12.32 N +ATOM 8653 H ARG D 38 -25.692 39.829 2.589 1.00 15.00 H +ATOM 8654 HE ARG D 38 -23.257 41.658 6.314 1.00 15.00 H +ATOM 8655 HH11 ARG D 38 -20.185 41.579 4.691 1.00 15.00 H +ATOM 8656 HH12 ARG D 38 -19.638 43.076 5.363 1.00 15.00 H +ATOM 8657 HH21 ARG D 38 -22.529 43.592 7.249 1.00 15.00 H +ATOM 8658 HH22 ARG D 38 -20.975 44.223 6.811 1.00 15.00 H +ATOM 8659 N GLN D 39 -25.078 36.494 4.724 1.00 33.69 N +ATOM 8660 CA GLN D 39 -25.769 35.907 5.882 1.00 28.43 C +ATOM 8661 C GLN D 39 -24.716 35.517 6.932 1.00 29.02 C +ATOM 8662 O GLN D 39 -23.872 34.645 6.683 1.00 30.29 O +ATOM 8663 CB GLN D 39 -26.537 34.661 5.445 1.00 20.88 C +ATOM 8664 CG GLN D 39 -27.494 34.130 6.482 1.00 10.65 C +ATOM 8665 CD GLN D 39 -28.160 32.859 6.040 1.00 2.00 C +ATOM 8666 OE1 GLN D 39 -27.548 32.016 5.383 1.00 7.30 O +ATOM 8667 NE2 GLN D 39 -29.417 32.709 6.392 1.00 2.11 N +ATOM 8668 H GLN D 39 -24.299 36.019 4.372 1.00 15.00 H +ATOM 8669 HE21 GLN D 39 -29.876 31.902 6.106 1.00 15.00 H +ATOM 8670 HE22 GLN D 39 -29.868 33.392 6.935 1.00 15.00 H +ATOM 8671 N THR D 40 -24.742 36.193 8.078 1.00 26.39 N +ATOM 8672 CA THR D 40 -23.790 35.939 9.163 1.00 38.16 C +ATOM 8673 C THR D 40 -23.794 34.467 9.598 1.00 45.25 C +ATOM 8674 O THR D 40 -24.723 33.726 9.269 1.00 47.65 O +ATOM 8675 CB THR D 40 -24.123 36.816 10.378 1.00 36.76 C +ATOM 8676 OG1 THR D 40 -25.515 36.679 10.697 1.00 41.66 O +ATOM 8677 CG2 THR D 40 -23.816 38.272 10.082 1.00 43.17 C +ATOM 8678 H THR D 40 -25.446 36.864 8.169 1.00 15.00 H +ATOM 8679 HG1 THR D 40 -26.045 36.948 9.932 1.00 15.00 H +ATOM 8680 N PRO D 41 -22.744 34.009 10.317 1.00 47.90 N +ATOM 8681 CA PRO D 41 -22.746 32.602 10.741 1.00 47.66 C +ATOM 8682 C PRO D 41 -23.886 32.392 11.736 1.00 47.00 C +ATOM 8683 O PRO D 41 -24.292 31.262 12.003 1.00 42.05 O +ATOM 8684 CB PRO D 41 -21.380 32.446 11.409 1.00 47.19 C +ATOM 8685 CG PRO D 41 -20.531 33.434 10.677 1.00 45.28 C +ATOM 8686 CD PRO D 41 -21.450 34.634 10.636 1.00 44.05 C +ATOM 8687 N GLU D 42 -24.386 33.509 12.272 1.00 46.36 N +ATOM 8688 CA GLU D 42 -25.493 33.528 13.223 1.00 49.74 C +ATOM 8689 C GLU D 42 -26.852 33.417 12.504 1.00 46.50 C +ATOM 8690 O GLU D 42 -27.903 33.379 13.145 1.00 46.56 O +ATOM 8691 CB GLU D 42 -25.439 34.812 14.073 1.00 62.54 C +ATOM 8692 CG GLU D 42 -24.458 34.791 15.263 1.00 66.94 C +ATOM 8693 CD GLU D 42 -22.986 34.839 14.864 1.00 72.79 C +ATOM 8694 OE1 GLU D 42 -22.483 35.945 14.564 1.00 72.58 O +ATOM 8695 OE2 GLU D 42 -22.322 33.777 14.881 1.00 74.81 O +ATOM 8696 H GLU D 42 -23.991 34.370 12.046 1.00 15.00 H +ATOM 8697 N LYS D 43 -26.809 33.418 11.171 1.00 46.12 N +ATOM 8698 CA LYS D 43 -27.974 33.287 10.280 1.00 44.01 C +ATOM 8699 C LYS D 43 -28.812 34.504 9.873 1.00 43.65 C +ATOM 8700 O LYS D 43 -29.751 34.381 9.079 1.00 39.63 O +ATOM 8701 CB LYS D 43 -28.868 32.112 10.698 1.00 38.72 C +ATOM 8702 CG LYS D 43 -28.105 30.781 10.765 1.00 41.24 C +ATOM 8703 CD LYS D 43 -27.114 30.641 9.604 1.00 47.57 C +ATOM 8704 CE LYS D 43 -26.032 29.600 9.872 1.00 53.84 C +ATOM 8705 NZ LYS D 43 -24.929 29.675 8.860 1.00 63.09 N +ATOM 8706 H LYS D 43 -25.943 33.481 10.731 1.00 15.00 H +ATOM 8707 HZ1 LYS D 43 -24.515 30.630 8.853 1.00 15.00 H +ATOM 8708 HZ2 LYS D 43 -24.192 28.977 9.086 1.00 15.00 H +ATOM 8709 HZ3 LYS D 43 -25.326 29.462 7.921 1.00 15.00 H +ATOM 8710 N ARG D 44 -28.465 35.682 10.374 1.00 42.69 N +ATOM 8711 CA ARG D 44 -29.190 36.888 9.991 1.00 45.46 C +ATOM 8712 C ARG D 44 -28.694 37.218 8.581 1.00 39.91 C +ATOM 8713 O ARG D 44 -27.525 36.969 8.260 1.00 39.99 O +ATOM 8714 CB ARG D 44 -28.886 38.023 10.979 1.00 52.93 C +ATOM 8715 CG ARG D 44 -29.169 39.440 10.485 1.00 65.65 C +ATOM 8716 CD ARG D 44 -28.898 40.472 11.598 1.00 86.53 C +ATOM 8717 NE ARG D 44 -28.348 41.749 11.117 1.00 96.37 N +ATOM 8718 CZ ARG D 44 -29.071 42.818 10.768 1.00 97.84 C +ATOM 8719 NH1 ARG D 44 -30.401 42.793 10.831 1.00 97.82 N +ATOM 8720 NH2 ARG D 44 -28.456 43.929 10.368 1.00 89.86 N +ATOM 8721 H ARG D 44 -27.715 35.734 10.999 1.00 15.00 H +ATOM 8722 HE ARG D 44 -27.374 41.818 11.045 1.00 15.00 H +ATOM 8723 HH11 ARG D 44 -30.878 41.972 11.144 1.00 15.00 H +ATOM 8724 HH12 ARG D 44 -30.924 43.603 10.567 1.00 15.00 H +ATOM 8725 HH21 ARG D 44 -27.457 43.955 10.333 1.00 15.00 H +ATOM 8726 HH22 ARG D 44 -28.989 44.734 10.108 1.00 15.00 H +ATOM 8727 N LEU D 45 -29.593 37.684 7.719 1.00 28.16 N +ATOM 8728 CA LEU D 45 -29.230 38.037 6.350 1.00 12.92 C +ATOM 8729 C LEU D 45 -29.176 39.543 6.222 1.00 18.91 C +ATOM 8730 O LEU D 45 -30.008 40.262 6.792 1.00 19.83 O +ATOM 8731 CB LEU D 45 -30.243 37.491 5.370 1.00 5.28 C +ATOM 8732 CG LEU D 45 -30.243 35.982 5.189 1.00 11.82 C +ATOM 8733 CD1 LEU D 45 -31.656 35.487 5.196 1.00 7.19 C +ATOM 8734 CD2 LEU D 45 -29.572 35.610 3.899 1.00 2.00 C +ATOM 8735 H LEU D 45 -30.518 37.840 8.000 1.00 15.00 H +ATOM 8736 N GLU D 46 -28.209 40.024 5.457 1.00 14.20 N +ATOM 8737 CA GLU D 46 -28.040 41.445 5.284 1.00 17.61 C +ATOM 8738 C GLU D 46 -27.848 41.753 3.813 1.00 18.98 C +ATOM 8739 O GLU D 46 -27.115 41.063 3.086 1.00 25.04 O +ATOM 8740 CB GLU D 46 -26.859 41.936 6.126 1.00 28.03 C +ATOM 8741 CG GLU D 46 -26.776 43.453 6.302 1.00 50.74 C +ATOM 8742 CD GLU D 46 -25.753 43.880 7.355 1.00 60.44 C +ATOM 8743 OE1 GLU D 46 -24.970 43.021 7.825 1.00 63.48 O +ATOM 8744 OE2 GLU D 46 -25.741 45.079 7.717 1.00 59.81 O +ATOM 8745 H GLU D 46 -27.639 39.447 4.943 1.00 15.00 H +ATOM 8746 N TRP D 47 -28.595 42.745 3.364 1.00 12.98 N +ATOM 8747 CA TRP D 47 -28.537 43.176 1.999 1.00 9.43 C +ATOM 8748 C TRP D 47 -27.228 43.910 1.852 1.00 13.57 C +ATOM 8749 O TRP D 47 -26.903 44.772 2.666 1.00 17.53 O +ATOM 8750 CB TRP D 47 -29.683 44.120 1.738 1.00 21.63 C +ATOM 8751 CG TRP D 47 -29.721 44.522 0.349 1.00 27.88 C +ATOM 8752 CD1 TRP D 47 -30.072 43.752 -0.713 1.00 21.97 C +ATOM 8753 CD2 TRP D 47 -29.349 45.793 -0.170 1.00 21.78 C +ATOM 8754 NE1 TRP D 47 -29.935 44.471 -1.873 1.00 34.36 N +ATOM 8755 CE2 TRP D 47 -29.491 45.730 -1.564 1.00 23.07 C +ATOM 8756 CE3 TRP D 47 -28.908 46.982 0.409 1.00 16.46 C +ATOM 8757 CZ2 TRP D 47 -29.208 46.809 -2.386 1.00 22.02 C +ATOM 8758 CZ3 TRP D 47 -28.629 48.054 -0.407 1.00 13.76 C +ATOM 8759 CH2 TRP D 47 -28.778 47.961 -1.790 1.00 19.94 C +ATOM 8760 H TRP D 47 -29.177 43.224 3.987 1.00 15.00 H +ATOM 8761 HE1 TRP D 47 -30.118 44.117 -2.763 1.00 15.00 H +ATOM 8762 N VAL D 48 -26.484 43.609 0.804 1.00 13.28 N +ATOM 8763 CA VAL D 48 -25.199 44.251 0.655 1.00 10.38 C +ATOM 8764 C VAL D 48 -25.098 45.298 -0.440 1.00 20.98 C +ATOM 8765 O VAL D 48 -24.508 46.353 -0.218 1.00 20.39 O +ATOM 8766 CB VAL D 48 -24.080 43.210 0.471 1.00 11.45 C +ATOM 8767 CG1 VAL D 48 -22.732 43.873 0.539 1.00 12.27 C +ATOM 8768 CG2 VAL D 48 -24.179 42.140 1.543 1.00 16.99 C +ATOM 8769 H VAL D 48 -26.798 42.967 0.140 1.00 15.00 H +ATOM 8770 N ALA D 49 -25.675 45.048 -1.611 1.00 25.45 N +ATOM 8771 CA ALA D 49 -25.545 46.028 -2.679 1.00 23.79 C +ATOM 8772 C ALA D 49 -26.481 45.825 -3.853 1.00 25.81 C +ATOM 8773 O ALA D 49 -26.998 44.724 -4.069 1.00 22.51 O +ATOM 8774 CB ALA D 49 -24.091 46.060 -3.172 1.00 18.89 C +ATOM 8775 H ALA D 49 -26.195 44.231 -1.768 1.00 15.00 H +ATOM 8776 N TYR D 50 -26.620 46.892 -4.641 1.00 28.63 N +ATOM 8777 CA TYR D 50 -27.473 46.942 -5.827 1.00 28.76 C +ATOM 8778 C TYR D 50 -26.762 47.628 -6.994 1.00 25.02 C +ATOM 8779 O TYR D 50 -26.085 48.630 -6.787 1.00 34.28 O +ATOM 8780 CB TYR D 50 -28.746 47.733 -5.496 1.00 26.46 C +ATOM 8781 CG TYR D 50 -29.456 48.301 -6.696 1.00 40.37 C +ATOM 8782 CD1 TYR D 50 -30.148 47.475 -7.576 1.00 51.92 C +ATOM 8783 CD2 TYR D 50 -29.377 49.659 -6.994 1.00 49.05 C +ATOM 8784 CE1 TYR D 50 -30.738 47.986 -8.730 1.00 57.19 C +ATOM 8785 CE2 TYR D 50 -29.964 50.179 -8.148 1.00 58.15 C +ATOM 8786 CZ TYR D 50 -30.640 49.336 -9.013 1.00 56.58 C +ATOM 8787 OH TYR D 50 -31.195 49.835 -10.170 1.00 55.54 O +ATOM 8788 H TYR D 50 -26.118 47.707 -4.422 1.00 15.00 H +ATOM 8789 HH TYR D 50 -31.724 49.149 -10.577 1.00 15.00 H +ATOM 8790 N ILE D 51 -26.953 47.128 -8.213 1.00 22.59 N +ATOM 8791 CA ILE D 51 -26.357 47.746 -9.402 1.00 18.50 C +ATOM 8792 C ILE D 51 -27.221 47.572 -10.672 1.00 21.89 C +ATOM 8793 O ILE D 51 -27.521 46.451 -11.091 1.00 25.49 O +ATOM 8794 CB ILE D 51 -24.936 47.228 -9.653 1.00 11.59 C +ATOM 8795 CG1 ILE D 51 -24.233 48.122 -10.673 1.00 19.43 C +ATOM 8796 CG2 ILE D 51 -24.971 45.802 -10.147 1.00 8.34 C +ATOM 8797 CD1 ILE D 51 -22.818 47.696 -11.004 1.00 10.04 C +ATOM 8798 H ILE D 51 -27.498 46.318 -8.323 1.00 15.00 H +ATOM 8799 N SER D 52 -27.629 48.694 -11.261 1.00 23.85 N +ATOM 8800 CA SER D 52 -28.466 48.726 -12.467 1.00 15.48 C +ATOM 8801 C SER D 52 -27.839 47.996 -13.663 1.00 12.57 C +ATOM 8802 O SER D 52 -26.625 47.932 -13.769 1.00 17.33 O +ATOM 8803 CB SER D 52 -28.773 50.188 -12.831 1.00 18.25 C +ATOM 8804 OG SER D 52 -27.596 50.915 -13.177 1.00 24.01 O +ATOM 8805 H SER D 52 -27.337 49.544 -10.866 1.00 15.00 H +ATOM 8806 HG SER D 52 -27.907 51.815 -13.339 1.00 15.00 H +ATOM 8807 N ASN D 52A -28.676 47.497 -14.577 1.00 13.36 N +ATOM 8808 CA ASN D 52A -28.243 46.755 -15.782 1.00 13.77 C +ATOM 8809 C ASN D 52A -27.000 47.323 -16.417 1.00 13.63 C +ATOM 8810 O ASN D 52A -26.204 46.593 -17.009 1.00 4.64 O +ATOM 8811 CB ASN D 52A -29.290 46.793 -16.905 1.00 12.41 C +ATOM 8812 CG ASN D 52A -30.688 46.517 -16.436 1.00 31.39 C +ATOM 8813 OD1 ASN D 52A -31.183 45.401 -16.554 1.00 34.21 O +ATOM 8814 ND2 ASN D 52A -31.367 47.557 -15.955 1.00 35.87 N +ATOM 8815 H ASN D 52A -29.633 47.609 -14.430 1.00 15.00 H +ATOM 8816 HD21 ASN D 52A -32.291 47.356 -15.690 1.00 15.00 H +ATOM 8817 HD22 ASN D 52A -30.967 48.443 -15.911 1.00 15.00 H +ATOM 8818 N GLY D 53 -26.944 48.651 -16.449 1.00 21.89 N +ATOM 8819 CA GLY D 53 -25.821 49.338 -17.056 1.00 29.36 C +ATOM 8820 C GLY D 53 -24.606 49.426 -16.167 1.00 29.04 C +ATOM 8821 O GLY D 53 -23.485 49.313 -16.658 1.00 26.94 O +ATOM 8822 H GLY D 53 -27.674 49.164 -16.055 1.00 15.00 H +ATOM 8823 N GLY D 54 -24.842 49.635 -14.871 1.00 31.62 N +ATOM 8824 CA GLY D 54 -23.764 49.749 -13.903 1.00 25.77 C +ATOM 8825 C GLY D 54 -23.479 51.186 -13.510 1.00 28.80 C +ATOM 8826 O GLY D 54 -22.421 51.498 -12.951 1.00 33.50 O +ATOM 8827 H GLY D 54 -25.761 49.646 -14.544 1.00 15.00 H +ATOM 8828 N GLY D 55 -24.440 52.065 -13.771 1.00 28.79 N +ATOM 8829 CA GLY D 55 -24.250 53.467 -13.460 1.00 25.56 C +ATOM 8830 C GLY D 55 -25.007 53.917 -12.242 1.00 24.36 C +ATOM 8831 O GLY D 55 -25.018 55.099 -11.922 1.00 35.40 O +ATOM 8832 H GLY D 55 -25.273 51.757 -14.169 1.00 15.00 H +ATOM 8833 N SER D 56 -25.673 52.987 -11.577 1.00 23.20 N +ATOM 8834 CA SER D 56 -26.426 53.332 -10.386 1.00 22.52 C +ATOM 8835 C SER D 56 -26.211 52.237 -9.359 1.00 21.43 C +ATOM 8836 O SER D 56 -26.579 51.076 -9.578 1.00 22.55 O +ATOM 8837 CB SER D 56 -27.910 53.492 -10.714 1.00 26.35 C +ATOM 8838 OG SER D 56 -28.485 54.505 -9.909 1.00 27.61 O +ATOM 8839 H SER D 56 -25.656 52.049 -11.853 1.00 15.00 H +ATOM 8840 HG SER D 56 -29.441 54.549 -9.995 1.00 15.00 H +ATOM 8841 N THR D 57 -25.571 52.615 -8.259 1.00 18.13 N +ATOM 8842 CA THR D 57 -25.259 51.698 -7.172 1.00 14.67 C +ATOM 8843 C THR D 57 -25.825 52.195 -5.873 1.00 18.71 C +ATOM 8844 O THR D 57 -25.978 53.405 -5.677 1.00 19.00 O +ATOM 8845 CB THR D 57 -23.764 51.607 -6.943 1.00 9.18 C +ATOM 8846 OG1 THR D 57 -23.242 52.919 -6.663 1.00 6.50 O +ATOM 8847 CG2 THR D 57 -23.084 51.035 -8.160 1.00 10.32 C +ATOM 8848 H THR D 57 -25.324 53.546 -8.144 1.00 15.00 H +ATOM 8849 HG1 THR D 57 -23.903 53.482 -6.233 1.00 15.00 H +ATOM 8850 N TYR D 58 -26.059 51.261 -4.962 1.00 19.53 N +ATOM 8851 CA TYR D 58 -26.563 51.585 -3.641 1.00 17.23 C +ATOM 8852 C TYR D 58 -25.942 50.561 -2.710 1.00 21.89 C +ATOM 8853 O TYR D 58 -25.803 49.386 -3.081 1.00 17.31 O +ATOM 8854 CB TYR D 58 -28.084 51.511 -3.585 1.00 11.00 C +ATOM 8855 CG TYR D 58 -28.671 52.441 -2.550 1.00 34.85 C +ATOM 8856 CD1 TYR D 58 -28.703 52.091 -1.201 1.00 41.29 C +ATOM 8857 CD2 TYR D 58 -29.162 53.694 -2.914 1.00 50.39 C +ATOM 8858 CE1 TYR D 58 -29.207 52.973 -0.234 1.00 52.03 C +ATOM 8859 CE2 TYR D 58 -29.669 54.585 -1.956 1.00 57.63 C +ATOM 8860 CZ TYR D 58 -29.688 54.220 -0.618 1.00 56.30 C +ATOM 8861 OH TYR D 58 -30.175 55.103 0.328 1.00 52.21 O +ATOM 8862 H TYR D 58 -25.889 50.316 -5.176 1.00 15.00 H +ATOM 8863 HH TYR D 58 -30.158 54.683 1.194 1.00 15.00 H +ATOM 8864 N TYR D 59 -25.538 51.029 -1.525 1.00 26.25 N +ATOM 8865 CA TYR D 59 -24.901 50.201 -0.493 1.00 22.41 C +ATOM 8866 C TYR D 59 -25.446 50.561 0.898 1.00 18.42 C +ATOM 8867 O TYR D 59 -25.966 51.658 1.089 1.00 26.02 O +ATOM 8868 CB TYR D 59 -23.385 50.466 -0.487 1.00 18.60 C +ATOM 8869 CG TYR D 59 -22.671 50.297 -1.813 1.00 10.08 C +ATOM 8870 CD1 TYR D 59 -22.531 51.371 -2.683 1.00 17.68 C +ATOM 8871 CD2 TYR D 59 -22.114 49.075 -2.182 1.00 11.78 C +ATOM 8872 CE1 TYR D 59 -21.855 51.241 -3.892 1.00 25.85 C +ATOM 8873 CE2 TYR D 59 -21.431 48.926 -3.400 1.00 26.67 C +ATOM 8874 CZ TYR D 59 -21.308 50.017 -4.250 1.00 30.03 C +ATOM 8875 OH TYR D 59 -20.669 49.893 -5.466 1.00 27.11 O +ATOM 8876 H TYR D 59 -25.695 51.966 -1.277 1.00 15.00 H +ATOM 8877 HH TYR D 59 -20.701 50.734 -5.939 1.00 15.00 H +ATOM 8878 N PRO D 60 -25.424 49.618 1.862 1.00 20.41 N +ATOM 8879 CA PRO D 60 -25.929 49.974 3.197 1.00 18.33 C +ATOM 8880 C PRO D 60 -24.807 50.732 3.902 1.00 25.15 C +ATOM 8881 O PRO D 60 -23.656 50.684 3.451 1.00 30.23 O +ATOM 8882 CB PRO D 60 -26.167 48.611 3.859 1.00 11.55 C +ATOM 8883 CG PRO D 60 -26.407 47.708 2.725 1.00 15.01 C +ATOM 8884 CD PRO D 60 -25.349 48.158 1.728 1.00 12.31 C +ATOM 8885 N ASP D 61 -25.110 51.410 5.005 1.00 30.06 N +ATOM 8886 CA ASP D 61 -24.069 52.156 5.702 1.00 33.04 C +ATOM 8887 C ASP D 61 -22.954 51.288 6.249 1.00 35.74 C +ATOM 8888 O ASP D 61 -21.796 51.697 6.278 1.00 42.85 O +ATOM 8889 CB ASP D 61 -24.657 53.030 6.791 1.00 28.01 C +ATOM 8890 CG ASP D 61 -25.242 54.297 6.237 1.00 42.26 C +ATOM 8891 OD1 ASP D 61 -24.495 55.019 5.545 1.00 40.44 O +ATOM 8892 OD2 ASP D 61 -26.443 54.562 6.469 1.00 56.55 O +ATOM 8893 H ASP D 61 -26.028 51.425 5.336 1.00 15.00 H +ATOM 8894 N THR D 62 -23.291 50.064 6.618 1.00 28.08 N +ATOM 8895 CA THR D 62 -22.307 49.139 7.145 1.00 18.71 C +ATOM 8896 C THR D 62 -21.162 48.778 6.171 1.00 25.59 C +ATOM 8897 O THR D 62 -20.111 48.310 6.618 1.00 23.21 O +ATOM 8898 CB THR D 62 -23.005 47.860 7.656 1.00 16.96 C +ATOM 8899 OG1 THR D 62 -24.230 47.663 6.943 1.00 24.41 O +ATOM 8900 CG2 THR D 62 -23.339 47.979 9.119 1.00 25.97 C +ATOM 8901 H THR D 62 -24.205 49.733 6.552 1.00 15.00 H +ATOM 8902 HG1 THR D 62 -24.631 46.842 7.247 1.00 15.00 H +ATOM 8903 N VAL D 63 -21.359 48.969 4.861 1.00 28.91 N +ATOM 8904 CA VAL D 63 -20.313 48.654 3.858 1.00 37.09 C +ATOM 8905 C VAL D 63 -19.981 49.782 2.866 1.00 31.86 C +ATOM 8906 O VAL D 63 -19.110 49.628 1.988 1.00 35.16 O +ATOM 8907 CB VAL D 63 -20.615 47.360 3.024 1.00 37.41 C +ATOM 8908 CG1 VAL D 63 -20.411 46.123 3.855 1.00 32.68 C +ATOM 8909 CG2 VAL D 63 -22.022 47.392 2.488 1.00 45.22 C +ATOM 8910 H VAL D 63 -22.212 49.339 4.555 1.00 15.00 H +ATOM 8911 N LYS D 64 -20.672 50.905 3.015 1.00 17.22 N +ATOM 8912 CA LYS D 64 -20.478 52.069 2.174 1.00 10.43 C +ATOM 8913 C LYS D 64 -19.021 52.517 2.133 1.00 11.15 C +ATOM 8914 O LYS D 64 -18.454 52.920 3.147 1.00 12.84 O +ATOM 8915 CB LYS D 64 -21.369 53.207 2.686 1.00 23.14 C +ATOM 8916 CG LYS D 64 -21.363 54.435 1.801 1.00 34.76 C +ATOM 8917 CD LYS D 64 -22.667 55.220 1.883 1.00 37.58 C +ATOM 8918 CE LYS D 64 -22.560 56.508 1.073 1.00 52.76 C +ATOM 8919 NZ LYS D 64 -22.032 56.278 -0.321 1.00 62.45 N +ATOM 8920 H LYS D 64 -21.323 50.977 3.742 1.00 15.00 H +ATOM 8921 HZ1 LYS D 64 -22.657 55.617 -0.827 1.00 15.00 H +ATOM 8922 HZ2 LYS D 64 -22.018 57.185 -0.828 1.00 15.00 H +ATOM 8923 HZ3 LYS D 64 -21.068 55.891 -0.282 1.00 15.00 H +ATOM 8924 N GLY D 65 -18.410 52.396 0.959 1.00 19.55 N +ATOM 8925 CA GLY D 65 -17.024 52.801 0.786 1.00 22.55 C +ATOM 8926 C GLY D 65 -16.071 51.639 0.590 1.00 27.68 C +ATOM 8927 O GLY D 65 -15.236 51.610 -0.337 1.00 38.44 O +ATOM 8928 H GLY D 65 -18.887 52.010 0.192 1.00 15.00 H +ATOM 8929 N ARG D 66 -16.202 50.651 1.457 1.00 14.68 N +ATOM 8930 CA ARG D 66 -15.333 49.505 1.363 1.00 11.37 C +ATOM 8931 C ARG D 66 -15.703 48.579 0.221 1.00 13.44 C +ATOM 8932 O ARG D 66 -14.826 47.964 -0.376 1.00 20.63 O +ATOM 8933 CB ARG D 66 -15.350 48.751 2.669 1.00 18.37 C +ATOM 8934 CG ARG D 66 -15.218 49.645 3.858 1.00 4.03 C +ATOM 8935 CD ARG D 66 -14.726 48.851 5.026 1.00 9.11 C +ATOM 8936 NE ARG D 66 -15.588 47.724 5.398 1.00 5.06 N +ATOM 8937 CZ ARG D 66 -16.830 47.854 5.858 1.00 17.88 C +ATOM 8938 NH1 ARG D 66 -17.379 49.069 5.976 1.00 4.57 N +ATOM 8939 NH2 ARG D 66 -17.459 46.787 6.350 1.00 12.79 N +ATOM 8940 H ARG D 66 -16.909 50.701 2.134 1.00 15.00 H +ATOM 8941 HE ARG D 66 -15.224 46.816 5.312 1.00 15.00 H +ATOM 8942 HH11 ARG D 66 -16.866 49.889 5.727 1.00 15.00 H +ATOM 8943 HH12 ARG D 66 -18.312 49.156 6.322 1.00 15.00 H +ATOM 8944 HH21 ARG D 66 -16.992 45.912 6.376 1.00 15.00 H +ATOM 8945 HH22 ARG D 66 -18.392 46.865 6.702 1.00 15.00 H +ATOM 8946 N PHE D 67 -16.995 48.442 -0.062 1.00 14.30 N +ATOM 8947 CA PHE D 67 -17.429 47.567 -1.146 1.00 12.75 C +ATOM 8948 C PHE D 67 -17.931 48.347 -2.330 1.00 18.07 C +ATOM 8949 O PHE D 67 -18.518 49.417 -2.182 1.00 27.32 O +ATOM 8950 CB PHE D 67 -18.600 46.701 -0.728 1.00 20.22 C +ATOM 8951 CG PHE D 67 -18.320 45.806 0.408 1.00 30.72 C +ATOM 8952 CD1 PHE D 67 -17.168 45.942 1.162 1.00 30.61 C +ATOM 8953 CD2 PHE D 67 -19.229 44.825 0.739 1.00 30.46 C +ATOM 8954 CE1 PHE D 67 -16.929 45.118 2.227 1.00 28.34 C +ATOM 8955 CE2 PHE D 67 -18.998 43.994 1.800 1.00 33.20 C +ATOM 8956 CZ PHE D 67 -17.844 44.139 2.550 1.00 33.33 C +ATOM 8957 H PHE D 67 -17.678 48.940 0.440 1.00 15.00 H +ATOM 8958 N THR D 68 -17.719 47.787 -3.508 1.00 9.69 N +ATOM 8959 CA THR D 68 -18.224 48.374 -4.727 1.00 9.33 C +ATOM 8960 C THR D 68 -18.584 47.179 -5.591 1.00 8.10 C +ATOM 8961 O THR D 68 -17.808 46.225 -5.724 1.00 10.16 O +ATOM 8962 CB THR D 68 -17.222 49.304 -5.449 1.00 2.14 C +ATOM 8963 OG1 THR D 68 -16.101 48.553 -5.892 1.00 15.36 O +ATOM 8964 CG2 THR D 68 -16.760 50.419 -4.532 1.00 13.20 C +ATOM 8965 H THR D 68 -17.211 46.952 -3.568 1.00 15.00 H +ATOM 8966 HG1 THR D 68 -15.650 48.255 -5.093 1.00 15.00 H +ATOM 8967 N ILE D 69 -19.828 47.159 -6.038 1.00 8.37 N +ATOM 8968 CA ILE D 69 -20.298 46.084 -6.878 1.00 2.00 C +ATOM 8969 C ILE D 69 -20.138 46.520 -8.296 1.00 3.13 C +ATOM 8970 O ILE D 69 -20.236 47.699 -8.607 1.00 2.84 O +ATOM 8971 CB ILE D 69 -21.731 45.786 -6.627 1.00 2.00 C +ATOM 8972 CG1 ILE D 69 -22.227 44.805 -7.668 1.00 2.00 C +ATOM 8973 CG2 ILE D 69 -22.515 47.074 -6.498 1.00 2.00 C +ATOM 8974 CD1 ILE D 69 -23.503 44.173 -7.281 1.00 2.00 C +ATOM 8975 H ILE D 69 -20.397 47.935 -5.847 1.00 15.00 H +ATOM 8976 N SER D 70 -19.845 45.574 -9.163 1.00 9.40 N +ATOM 8977 CA SER D 70 -19.663 45.917 -10.552 1.00 14.68 C +ATOM 8978 C SER D 70 -20.055 44.712 -11.367 1.00 12.87 C +ATOM 8979 O SER D 70 -20.272 43.638 -10.816 1.00 30.90 O +ATOM 8980 CB SER D 70 -18.207 46.302 -10.803 1.00 14.75 C +ATOM 8981 OG SER D 70 -17.397 45.140 -10.882 1.00 37.04 O +ATOM 8982 H SER D 70 -19.758 44.634 -8.896 1.00 15.00 H +ATOM 8983 HG SER D 70 -16.483 45.403 -10.711 1.00 15.00 H +ATOM 8984 N ARG D 71 -20.142 44.882 -12.675 1.00 15.81 N +ATOM 8985 CA ARG D 71 -20.534 43.791 -13.543 1.00 7.92 C +ATOM 8986 C ARG D 71 -19.807 43.894 -14.851 1.00 2.87 C +ATOM 8987 O ARG D 71 -19.273 44.942 -15.209 1.00 9.25 O +ATOM 8988 CB ARG D 71 -22.030 43.870 -13.802 1.00 12.23 C +ATOM 8989 CG ARG D 71 -22.477 45.207 -14.378 1.00 4.15 C +ATOM 8990 CD ARG D 71 -23.980 45.363 -14.262 1.00 10.95 C +ATOM 8991 NE ARG D 71 -24.721 44.214 -14.783 1.00 2.00 N +ATOM 8992 CZ ARG D 71 -26.022 44.037 -14.592 1.00 3.95 C +ATOM 8993 NH1 ARG D 71 -26.707 44.926 -13.875 1.00 2.00 N +ATOM 8994 NH2 ARG D 71 -26.635 42.974 -15.105 1.00 2.00 N +ATOM 8995 H ARG D 71 -19.924 45.731 -13.103 1.00 15.00 H +ATOM 8996 HE ARG D 71 -24.233 43.528 -15.276 1.00 15.00 H +ATOM 8997 HH11 ARG D 71 -26.247 45.722 -13.484 1.00 15.00 H +ATOM 8998 HH12 ARG D 71 -27.689 44.796 -13.729 1.00 15.00 H +ATOM 8999 HH21 ARG D 71 -26.118 42.315 -15.649 1.00 15.00 H +ATOM 9000 HH22 ARG D 71 -27.620 42.847 -14.966 1.00 15.00 H +ATOM 9001 N ASP D 72 -19.801 42.793 -15.571 1.00 10.25 N +ATOM 9002 CA ASP D 72 -19.159 42.716 -16.870 1.00 10.57 C +ATOM 9003 C ASP D 72 -20.159 41.942 -17.718 1.00 16.21 C +ATOM 9004 O ASP D 72 -20.048 40.724 -17.901 1.00 10.57 O +ATOM 9005 CB ASP D 72 -17.839 41.975 -16.743 1.00 2.00 C +ATOM 9006 CG ASP D 72 -17.192 41.732 -18.066 1.00 23.66 C +ATOM 9007 OD1 ASP D 72 -17.663 40.836 -18.779 1.00 22.28 O +ATOM 9008 OD2 ASP D 72 -16.217 42.433 -18.408 1.00 40.57 O +ATOM 9009 H ASP D 72 -20.232 41.982 -15.214 1.00 15.00 H +ATOM 9010 N ASN D 73 -21.191 42.658 -18.158 1.00 19.39 N +ATOM 9011 CA ASN D 73 -22.257 42.078 -18.964 1.00 7.92 C +ATOM 9012 C ASN D 73 -21.697 41.312 -20.153 1.00 17.63 C +ATOM 9013 O ASN D 73 -22.258 40.306 -20.573 1.00 16.12 O +ATOM 9014 CB ASN D 73 -23.223 43.163 -19.399 1.00 8.60 C +ATOM 9015 CG ASN D 73 -23.834 43.899 -18.214 1.00 20.03 C +ATOM 9016 OD1 ASN D 73 -24.079 43.303 -17.171 1.00 20.40 O +ATOM 9017 ND2 ASN D 73 -24.048 45.200 -18.358 1.00 15.46 N +ATOM 9018 H ASN D 73 -21.233 43.600 -17.881 1.00 15.00 H +ATOM 9019 HD21 ASN D 73 -24.474 45.650 -17.585 1.00 15.00 H +ATOM 9020 HD22 ASN D 73 -23.788 45.643 -19.182 1.00 15.00 H +ATOM 9021 N ALA D 74 -20.531 41.727 -20.630 1.00 25.43 N +ATOM 9022 CA ALA D 74 -19.891 41.038 -21.742 1.00 29.39 C +ATOM 9023 C ALA D 74 -19.514 39.583 -21.398 1.00 34.57 C +ATOM 9024 O ALA D 74 -19.368 38.757 -22.298 1.00 36.66 O +ATOM 9025 CB ALA D 74 -18.664 41.808 -22.180 1.00 30.51 C +ATOM 9026 H ALA D 74 -20.092 42.504 -20.243 1.00 15.00 H +ATOM 9027 N LYS D 75 -19.349 39.281 -20.106 1.00 33.53 N +ATOM 9028 CA LYS D 75 -18.987 37.934 -19.656 1.00 36.10 C +ATOM 9029 C LYS D 75 -20.023 37.307 -18.738 1.00 38.84 C +ATOM 9030 O LYS D 75 -19.798 36.224 -18.192 1.00 43.35 O +ATOM 9031 CB LYS D 75 -17.641 37.924 -18.930 1.00 44.97 C +ATOM 9032 CG LYS D 75 -16.404 37.933 -19.819 1.00 63.51 C +ATOM 9033 CD LYS D 75 -15.116 37.914 -18.974 1.00 71.70 C +ATOM 9034 CE LYS D 75 -13.848 37.867 -19.835 1.00 75.48 C +ATOM 9035 NZ LYS D 75 -12.599 37.941 -19.019 1.00 75.63 N +ATOM 9036 H LYS D 75 -19.491 39.971 -19.448 1.00 15.00 H +ATOM 9037 HZ1 LYS D 75 -12.556 37.151 -18.343 1.00 15.00 H +ATOM 9038 HZ2 LYS D 75 -11.775 37.906 -19.653 1.00 15.00 H +ATOM 9039 HZ3 LYS D 75 -12.586 38.837 -18.489 1.00 15.00 H +ATOM 9040 N ASN D 76 -21.127 38.012 -18.512 1.00 38.32 N +ATOM 9041 CA ASN D 76 -22.215 37.512 -17.667 1.00 35.84 C +ATOM 9042 C ASN D 76 -21.902 37.503 -16.173 1.00 28.92 C +ATOM 9043 O ASN D 76 -22.792 37.274 -15.361 1.00 41.39 O +ATOM 9044 CB ASN D 76 -22.622 36.073 -18.062 1.00 47.10 C +ATOM 9045 CG ASN D 76 -23.120 35.948 -19.504 1.00 45.75 C +ATOM 9046 OD1 ASN D 76 -23.809 36.825 -20.025 1.00 50.91 O +ATOM 9047 ND2 ASN D 76 -22.799 34.823 -20.135 1.00 40.36 N +ATOM 9048 H ASN D 76 -21.238 38.885 -18.936 1.00 15.00 H +ATOM 9049 HD21 ASN D 76 -23.112 34.740 -21.058 1.00 15.00 H +ATOM 9050 HD22 ASN D 76 -22.276 34.151 -19.651 1.00 15.00 H +ATOM 9051 N THR D 77 -20.659 37.759 -15.798 1.00 20.01 N +ATOM 9052 CA THR D 77 -20.289 37.719 -14.394 1.00 9.67 C +ATOM 9053 C THR D 77 -20.514 39.000 -13.619 1.00 11.41 C +ATOM 9054 O THR D 77 -20.317 40.098 -14.133 1.00 13.21 O +ATOM 9055 CB THR D 77 -18.818 37.310 -14.209 1.00 14.96 C +ATOM 9056 OG1 THR D 77 -18.007 38.483 -14.129 1.00 14.55 O +ATOM 9057 CG2 THR D 77 -18.328 36.439 -15.379 1.00 2.00 C +ATOM 9058 H THR D 77 -19.983 38.015 -16.451 1.00 15.00 H +ATOM 9059 HG1 THR D 77 -18.150 38.946 -13.294 1.00 15.00 H +ATOM 9060 N LEU D 78 -20.923 38.840 -12.365 1.00 12.31 N +ATOM 9061 CA LEU D 78 -21.133 39.956 -11.443 1.00 6.41 C +ATOM 9062 C LEU D 78 -19.831 39.995 -10.619 1.00 13.28 C +ATOM 9063 O LEU D 78 -18.973 39.127 -10.810 1.00 14.19 O +ATOM 9064 CB LEU D 78 -22.326 39.640 -10.556 1.00 2.00 C +ATOM 9065 CG LEU D 78 -22.800 40.637 -9.517 1.00 2.42 C +ATOM 9066 CD1 LEU D 78 -23.176 41.944 -10.176 1.00 18.08 C +ATOM 9067 CD2 LEU D 78 -24.002 40.045 -8.812 1.00 7.86 C +ATOM 9068 H LEU D 78 -21.119 37.937 -12.046 1.00 15.00 H +ATOM 9069 N TYR D 79 -19.650 40.996 -9.759 1.00 8.59 N +ATOM 9070 CA TYR D 79 -18.437 41.108 -8.929 1.00 5.37 C +ATOM 9071 C TYR D 79 -18.693 41.875 -7.642 1.00 14.58 C +ATOM 9072 O TYR D 79 -19.677 42.612 -7.517 1.00 19.63 O +ATOM 9073 CB TYR D 79 -17.309 41.862 -9.643 1.00 2.00 C +ATOM 9074 CG TYR D 79 -16.714 41.181 -10.830 1.00 5.03 C +ATOM 9075 CD1 TYR D 79 -15.852 40.111 -10.677 1.00 17.09 C +ATOM 9076 CD2 TYR D 79 -17.054 41.569 -12.113 1.00 14.59 C +ATOM 9077 CE1 TYR D 79 -15.346 39.433 -11.774 1.00 9.08 C +ATOM 9078 CE2 TYR D 79 -16.555 40.901 -13.222 1.00 5.95 C +ATOM 9079 CZ TYR D 79 -15.710 39.828 -13.041 1.00 15.12 C +ATOM 9080 OH TYR D 79 -15.284 39.101 -14.125 1.00 27.36 O +ATOM 9081 H TYR D 79 -20.310 41.722 -9.685 1.00 15.00 H +ATOM 9082 HH TYR D 79 -15.909 39.255 -14.841 1.00 15.00 H +ATOM 9083 N LEU D 80 -17.765 41.727 -6.704 1.00 14.93 N +ATOM 9084 CA LEU D 80 -17.820 42.435 -5.435 1.00 7.63 C +ATOM 9085 C LEU D 80 -16.405 42.563 -4.930 1.00 11.79 C +ATOM 9086 O LEU D 80 -15.716 41.570 -4.721 1.00 14.16 O +ATOM 9087 CB LEU D 80 -18.665 41.705 -4.408 1.00 4.50 C +ATOM 9088 CG LEU D 80 -18.883 42.528 -3.139 1.00 2.91 C +ATOM 9089 CD1 LEU D 80 -19.114 43.979 -3.464 1.00 25.44 C +ATOM 9090 CD2 LEU D 80 -20.065 42.002 -2.378 1.00 11.34 C +ATOM 9091 H LEU D 80 -17.024 41.101 -6.855 1.00 15.00 H +ATOM 9092 N GLN D 81 -15.937 43.794 -4.828 1.00 9.24 N +ATOM 9093 CA GLN D 81 -14.601 44.032 -4.346 1.00 2.47 C +ATOM 9094 C GLN D 81 -14.762 44.677 -3.001 1.00 12.24 C +ATOM 9095 O GLN D 81 -15.558 45.616 -2.842 1.00 20.58 O +ATOM 9096 CB GLN D 81 -13.872 44.956 -5.286 1.00 19.81 C +ATOM 9097 CG GLN D 81 -13.801 44.406 -6.681 1.00 32.53 C +ATOM 9098 CD GLN D 81 -13.519 45.474 -7.695 1.00 35.17 C +ATOM 9099 OE1 GLN D 81 -12.393 45.603 -8.188 1.00 35.33 O +ATOM 9100 NE2 GLN D 81 -14.538 46.271 -8.002 1.00 16.61 N +ATOM 9101 H GLN D 81 -16.520 44.557 -5.043 1.00 15.00 H +ATOM 9102 HE21 GLN D 81 -14.391 46.946 -8.696 1.00 15.00 H +ATOM 9103 HE22 GLN D 81 -15.396 46.151 -7.540 1.00 15.00 H +ATOM 9104 N MET D 82 -14.071 44.110 -2.019 1.00 11.77 N +ATOM 9105 CA MET D 82 -14.107 44.593 -0.652 1.00 5.75 C +ATOM 9106 C MET D 82 -12.681 45.018 -0.324 1.00 10.60 C +ATOM 9107 O MET D 82 -11.729 44.282 -0.621 1.00 9.43 O +ATOM 9108 CB MET D 82 -14.567 43.456 0.251 1.00 3.56 C +ATOM 9109 CG MET D 82 -15.919 42.905 -0.139 1.00 5.44 C +ATOM 9110 SD MET D 82 -16.342 41.301 0.561 1.00 15.14 S +ATOM 9111 CE MET D 82 -15.341 40.261 -0.449 1.00 9.34 C +ATOM 9112 H MET D 82 -13.469 43.375 -2.214 1.00 15.00 H +ATOM 9113 N SER D 82A -12.520 46.206 0.254 1.00 14.27 N +ATOM 9114 CA SER D 82A -11.183 46.703 0.572 1.00 23.84 C +ATOM 9115 C SER D 82A -10.749 46.766 2.043 1.00 34.00 C +ATOM 9116 O SER D 82A -9.610 46.405 2.361 1.00 46.21 O +ATOM 9117 CB SER D 82A -10.915 48.045 -0.124 1.00 25.64 C +ATOM 9118 OG SER D 82A -10.109 47.879 -1.285 1.00 32.73 O +ATOM 9119 H SER D 82A -13.320 46.752 0.400 1.00 15.00 H +ATOM 9120 HG SER D 82A -9.352 47.308 -1.078 1.00 15.00 H +ATOM 9121 N ARG D 82B -11.609 47.227 2.944 1.00 21.62 N +ATOM 9122 CA ARG D 82B -11.202 47.290 4.343 1.00 21.51 C +ATOM 9123 C ARG D 82B -12.014 46.302 5.176 1.00 29.33 C +ATOM 9124 O ARG D 82B -12.862 46.701 5.977 1.00 41.60 O +ATOM 9125 CB ARG D 82B -11.347 48.718 4.880 1.00 29.14 C +ATOM 9126 CG ARG D 82B -10.204 49.658 4.485 1.00 43.75 C +ATOM 9127 CD ARG D 82B -10.589 50.685 3.424 1.00 41.79 C +ATOM 9128 NE ARG D 82B -11.591 51.633 3.900 1.00 38.76 N +ATOM 9129 CZ ARG D 82B -12.430 52.291 3.105 1.00 43.89 C +ATOM 9130 NH1 ARG D 82B -12.384 52.105 1.791 1.00 44.28 N +ATOM 9131 NH2 ARG D 82B -13.320 53.134 3.622 1.00 46.23 N +ATOM 9132 H ARG D 82B -12.508 47.500 2.676 1.00 15.00 H +ATOM 9133 HE ARG D 82B -11.645 51.794 4.866 1.00 15.00 H +ATOM 9134 HH11 ARG D 82B -11.718 51.473 1.398 1.00 15.00 H +ATOM 9135 HH12 ARG D 82B -13.017 52.598 1.192 1.00 15.00 H +ATOM 9136 HH21 ARG D 82B -13.362 53.266 4.613 1.00 15.00 H +ATOM 9137 HH22 ARG D 82B -13.957 53.622 3.027 1.00 15.00 H +ATOM 9138 N LEU D 82C -11.730 45.013 5.015 1.00 20.64 N +ATOM 9139 CA LEU D 82C -12.476 43.976 5.724 1.00 22.55 C +ATOM 9140 C LEU D 82C -12.313 43.897 7.248 1.00 31.89 C +ATOM 9141 O LEU D 82C -11.225 44.100 7.783 1.00 38.84 O +ATOM 9142 CB LEU D 82C -12.205 42.612 5.086 1.00 11.50 C +ATOM 9143 CG LEU D 82C -12.742 42.396 3.662 1.00 2.00 C +ATOM 9144 CD1 LEU D 82C -12.106 41.185 3.020 1.00 10.08 C +ATOM 9145 CD2 LEU D 82C -14.237 42.239 3.669 1.00 2.00 C +ATOM 9146 H LEU D 82C -10.996 44.750 4.417 1.00 15.00 H +ATOM 9147 N LYS D 83 -13.428 43.642 7.932 1.00 39.96 N +ATOM 9148 CA LYS D 83 -13.487 43.501 9.389 1.00 35.11 C +ATOM 9149 C LYS D 83 -13.952 42.082 9.669 1.00 39.69 C +ATOM 9150 O LYS D 83 -14.500 41.416 8.791 1.00 45.00 O +ATOM 9151 CB LYS D 83 -14.558 44.404 9.992 1.00 26.71 C +ATOM 9152 CG LYS D 83 -14.568 45.836 9.556 1.00 23.95 C +ATOM 9153 CD LYS D 83 -15.855 46.447 10.089 1.00 32.65 C +ATOM 9154 CE LYS D 83 -16.095 47.856 9.591 1.00 33.42 C +ATOM 9155 NZ LYS D 83 -17.487 48.255 9.912 1.00 27.02 N +ATOM 9156 H LYS D 83 -14.252 43.526 7.416 1.00 15.00 H +ATOM 9157 HZ1 LYS D 83 -18.161 47.576 9.498 1.00 15.00 H +ATOM 9158 HZ2 LYS D 83 -17.607 48.276 10.946 1.00 15.00 H +ATOM 9159 HZ3 LYS D 83 -17.669 49.204 9.522 1.00 15.00 H +ATOM 9160 N SER D 84 -13.831 41.646 10.915 1.00 45.20 N +ATOM 9161 CA SER D 84 -14.291 40.306 11.253 1.00 45.21 C +ATOM 9162 C SER D 84 -15.822 40.300 11.105 1.00 37.41 C +ATOM 9163 O SER D 84 -16.399 39.325 10.628 1.00 40.43 O +ATOM 9164 CB SER D 84 -13.856 39.908 12.674 1.00 46.40 C +ATOM 9165 OG SER D 84 -13.873 38.493 12.845 1.00 45.02 O +ATOM 9166 H SER D 84 -13.420 42.209 11.599 1.00 15.00 H +ATOM 9167 HG SER D 84 -13.369 38.082 12.126 1.00 15.00 H +ATOM 9168 N GLU D 85 -16.465 41.419 11.433 1.00 27.92 N +ATOM 9169 CA GLU D 85 -17.917 41.514 11.312 1.00 28.64 C +ATOM 9170 C GLU D 85 -18.306 41.144 9.885 1.00 29.59 C +ATOM 9171 O GLU D 85 -19.297 40.457 9.655 1.00 37.61 O +ATOM 9172 CB GLU D 85 -18.394 42.929 11.601 1.00 26.27 C +ATOM 9173 CG GLU D 85 -17.764 43.558 12.818 1.00 52.92 C +ATOM 9174 CD GLU D 85 -18.249 44.978 13.060 1.00 69.95 C +ATOM 9175 OE1 GLU D 85 -19.311 45.365 12.514 1.00 71.53 O +ATOM 9176 OE2 GLU D 85 -17.563 45.712 13.805 1.00 83.17 O +ATOM 9177 H GLU D 85 -15.953 42.175 11.774 1.00 15.00 H +ATOM 9178 N ASP D 86 -17.463 41.528 8.934 1.00 29.21 N +ATOM 9179 CA ASP D 86 -17.728 41.237 7.532 1.00 31.77 C +ATOM 9180 C ASP D 86 -17.621 39.739 7.237 1.00 25.62 C +ATOM 9181 O ASP D 86 -17.548 39.344 6.076 1.00 24.85 O +ATOM 9182 CB ASP D 86 -16.787 42.039 6.599 1.00 24.92 C +ATOM 9183 CG ASP D 86 -17.030 43.565 6.652 1.00 31.27 C +ATOM 9184 OD1 ASP D 86 -18.171 44.028 6.957 1.00 9.40 O +ATOM 9185 OD2 ASP D 86 -16.058 44.303 6.364 1.00 20.21 O +ATOM 9186 H ASP D 86 -16.629 41.967 9.172 1.00 15.00 H +ATOM 9187 N THR D 87 -17.613 38.900 8.267 1.00 16.18 N +ATOM 9188 CA THR D 87 -17.530 37.476 8.014 1.00 21.26 C +ATOM 9189 C THR D 87 -18.945 36.965 7.837 1.00 15.65 C +ATOM 9190 O THR D 87 -19.818 37.284 8.639 1.00 26.68 O +ATOM 9191 CB THR D 87 -16.792 36.700 9.146 1.00 21.60 C +ATOM 9192 OG1 THR D 87 -15.426 37.135 9.225 1.00 24.15 O +ATOM 9193 CG2 THR D 87 -16.771 35.205 8.839 1.00 22.74 C +ATOM 9194 H THR D 87 -17.700 39.150 9.197 1.00 15.00 H +ATOM 9195 HG1 THR D 87 -15.487 37.981 9.685 1.00 15.00 H +ATOM 9196 N ALA D 88 -19.178 36.246 6.740 1.00 14.78 N +ATOM 9197 CA ALA D 88 -20.488 35.680 6.425 1.00 15.45 C +ATOM 9198 C ALA D 88 -20.451 34.950 5.090 1.00 15.90 C +ATOM 9199 O ALA D 88 -19.372 34.646 4.569 1.00 16.62 O +ATOM 9200 CB ALA D 88 -21.556 36.774 6.396 1.00 15.58 C +ATOM 9201 H ALA D 88 -18.446 36.077 6.107 1.00 15.00 H +ATOM 9202 N MET D 89 -21.629 34.542 4.621 1.00 22.30 N +ATOM 9203 CA MET D 89 -21.776 33.865 3.334 1.00 19.83 C +ATOM 9204 C MET D 89 -22.324 34.931 2.441 1.00 20.71 C +ATOM 9205 O MET D 89 -23.303 35.600 2.788 1.00 11.29 O +ATOM 9206 CB MET D 89 -22.809 32.750 3.392 1.00 15.98 C +ATOM 9207 CG MET D 89 -22.234 31.349 3.501 1.00 13.81 C +ATOM 9208 SD MET D 89 -21.747 30.739 1.935 1.00 21.85 S +ATOM 9209 CE MET D 89 -21.416 29.083 2.323 1.00 4.32 C +ATOM 9210 H MET D 89 -22.435 34.687 5.158 1.00 15.00 H +ATOM 9211 N TYR D 90 -21.669 35.119 1.311 1.00 25.23 N +ATOM 9212 CA TYR D 90 -22.108 36.110 0.364 1.00 24.13 C +ATOM 9213 C TYR D 90 -22.846 35.440 -0.778 1.00 23.48 C +ATOM 9214 O TYR D 90 -22.367 34.469 -1.380 1.00 23.86 O +ATOM 9215 CB TYR D 90 -20.914 36.929 -0.120 1.00 23.06 C +ATOM 9216 CG TYR D 90 -20.400 37.866 0.951 1.00 17.44 C +ATOM 9217 CD1 TYR D 90 -20.939 39.140 1.106 1.00 24.69 C +ATOM 9218 CD2 TYR D 90 -19.399 37.473 1.826 1.00 23.69 C +ATOM 9219 CE1 TYR D 90 -20.489 40.000 2.116 1.00 28.23 C +ATOM 9220 CE2 TYR D 90 -18.937 38.331 2.838 1.00 25.42 C +ATOM 9221 CZ TYR D 90 -19.488 39.587 2.972 1.00 22.67 C +ATOM 9222 OH TYR D 90 -19.036 40.432 3.950 1.00 20.65 O +ATOM 9223 H TYR D 90 -20.888 34.564 1.090 1.00 15.00 H +ATOM 9224 HH TYR D 90 -18.364 39.976 4.478 1.00 15.00 H +ATOM 9225 N TYR D 91 -24.037 35.948 -1.044 1.00 24.21 N +ATOM 9226 CA TYR D 91 -24.890 35.429 -2.099 1.00 25.05 C +ATOM 9227 C TYR D 91 -25.179 36.520 -3.118 1.00 16.75 C +ATOM 9228 O TYR D 91 -25.488 37.637 -2.724 1.00 15.90 O +ATOM 9229 CB TYR D 91 -26.228 34.991 -1.501 1.00 26.36 C +ATOM 9230 CG TYR D 91 -26.207 33.720 -0.680 1.00 18.95 C +ATOM 9231 CD1 TYR D 91 -25.909 32.501 -1.276 1.00 16.58 C +ATOM 9232 CD2 TYR D 91 -26.550 33.731 0.672 1.00 12.63 C +ATOM 9233 CE1 TYR D 91 -25.954 31.328 -0.566 1.00 22.25 C +ATOM 9234 CE2 TYR D 91 -26.601 32.556 1.399 1.00 10.54 C +ATOM 9235 CZ TYR D 91 -26.300 31.355 0.766 1.00 26.61 C +ATOM 9236 OH TYR D 91 -26.355 30.161 1.441 1.00 44.41 O +ATOM 9237 H TYR D 91 -24.283 36.733 -0.565 1.00 15.00 H +ATOM 9238 HH TYR D 91 -26.532 30.335 2.368 1.00 15.00 H +ATOM 9239 N CYS D 92 -24.958 36.255 -4.402 1.00 17.10 N +ATOM 9240 CA CYS D 92 -25.314 37.241 -5.414 1.00 12.55 C +ATOM 9241 C CYS D 92 -26.694 36.762 -5.786 1.00 12.11 C +ATOM 9242 O CYS D 92 -26.917 35.561 -5.943 1.00 7.97 O +ATOM 9243 CB CYS D 92 -24.426 37.176 -6.639 1.00 10.91 C +ATOM 9244 SG CYS D 92 -24.475 35.560 -7.451 1.00 4.05 S +ATOM 9245 H CYS D 92 -24.590 35.424 -4.716 1.00 15.00 H +ATOM 9246 N ALA D 93 -27.633 37.687 -5.872 1.00 11.60 N +ATOM 9247 CA ALA D 93 -28.993 37.329 -6.185 1.00 14.89 C +ATOM 9248 C ALA D 93 -29.623 38.175 -7.283 1.00 16.86 C +ATOM 9249 O ALA D 93 -29.617 39.410 -7.227 1.00 17.56 O +ATOM 9250 CB ALA D 93 -29.803 37.423 -4.943 1.00 13.58 C +ATOM 9251 H ALA D 93 -27.444 38.625 -5.725 1.00 15.00 H +ATOM 9252 N ARG D 94 -30.166 37.496 -8.282 1.00 13.75 N +ATOM 9253 CA ARG D 94 -30.837 38.161 -9.386 1.00 14.15 C +ATOM 9254 C ARG D 94 -32.102 38.826 -8.878 1.00 12.35 C +ATOM 9255 O ARG D 94 -32.725 38.357 -7.930 1.00 24.73 O +ATOM 9256 CB ARG D 94 -31.218 37.158 -10.462 1.00 13.60 C +ATOM 9257 CG ARG D 94 -32.104 37.757 -11.530 1.00 26.08 C +ATOM 9258 CD ARG D 94 -32.416 36.757 -12.620 1.00 37.21 C +ATOM 9259 NE ARG D 94 -33.804 36.302 -12.578 1.00 35.38 N +ATOM 9260 CZ ARG D 94 -34.419 35.712 -13.598 1.00 32.84 C +ATOM 9261 NH1 ARG D 94 -33.771 35.506 -14.739 1.00 29.61 N +ATOM 9262 NH2 ARG D 94 -35.680 35.330 -13.484 1.00 37.39 N +ATOM 9263 H ARG D 94 -30.152 36.517 -8.233 1.00 15.00 H +ATOM 9264 HE ARG D 94 -34.315 36.446 -11.757 1.00 15.00 H +ATOM 9265 HH11 ARG D 94 -32.816 35.788 -14.840 1.00 15.00 H +ATOM 9266 HH12 ARG D 94 -34.244 35.059 -15.495 1.00 15.00 H +ATOM 9267 HH21 ARG D 94 -36.198 35.492 -12.652 1.00 15.00 H +ATOM 9268 HH22 ARG D 94 -36.121 34.890 -14.264 1.00 15.00 H +ATOM 9269 N HIS D 95 -32.497 39.901 -9.535 1.00 11.07 N +ATOM 9270 CA HIS D 95 -33.689 40.647 -9.165 1.00 16.11 C +ATOM 9271 C HIS D 95 -34.889 40.103 -9.914 1.00 19.90 C +ATOM 9272 O HIS D 95 -34.867 40.056 -11.136 1.00 26.62 O +ATOM 9273 CB HIS D 95 -33.484 42.100 -9.544 1.00 15.91 C +ATOM 9274 CG HIS D 95 -34.713 42.936 -9.425 1.00 26.06 C +ATOM 9275 ND1 HIS D 95 -35.301 43.223 -8.214 1.00 26.40 N +ATOM 9276 CD2 HIS D 95 -35.453 43.570 -10.365 1.00 31.75 C +ATOM 9277 CE1 HIS D 95 -36.351 43.998 -8.411 1.00 25.84 C +ATOM 9278 NE2 HIS D 95 -36.465 44.224 -9.707 1.00 27.03 N +ATOM 9279 H HIS D 95 -31.963 40.209 -10.296 1.00 15.00 H +ATOM 9280 HD1 HIS D 95 -34.905 43.014 -7.331 1.00 15.00 H +ATOM 9281 HE2 HIS D 95 -37.142 44.808 -10.135 1.00 15.00 H +ATOM 9282 N GLY D 96 -35.951 39.752 -9.195 1.00 13.13 N +ATOM 9283 CA GLY D 96 -37.145 39.216 -9.837 1.00 16.38 C +ATOM 9284 C GLY D 96 -38.081 40.192 -10.548 1.00 14.17 C +ATOM 9285 O GLY D 96 -38.957 39.790 -11.317 1.00 19.48 O +ATOM 9286 H GLY D 96 -35.924 39.789 -8.218 1.00 15.00 H +ATOM 9287 N GLY D 97 -37.936 41.474 -10.248 1.00 7.82 N +ATOM 9288 CA GLY D 97 -38.771 42.476 -10.874 1.00 2.00 C +ATOM 9289 C GLY D 97 -39.558 43.272 -9.855 1.00 17.64 C +ATOM 9290 O GLY D 97 -39.514 44.512 -9.857 1.00 14.35 O +ATOM 9291 H GLY D 97 -37.249 41.699 -9.607 1.00 15.00 H +ATOM 9292 N TYR D 100H -40.169 42.556 -8.913 1.00 17.29 N +ATOM 9293 CA TYR D 100H -41.001 43.157 -7.879 1.00 13.78 C +ATOM 9294 C TYR D 100H -40.287 43.492 -6.554 1.00 26.16 C +ATOM 9295 O TYR D 100H -40.911 43.514 -5.493 1.00 29.15 O +ATOM 9296 CB TYR D 100H -42.177 42.228 -7.626 1.00 16.95 C +ATOM 9297 CG TYR D 100H -42.787 41.663 -8.895 1.00 34.71 C +ATOM 9298 CD1 TYR D 100H -42.249 40.523 -9.505 1.00 38.16 C +ATOM 9299 CD2 TYR D 100H -43.908 42.265 -9.488 1.00 27.06 C +ATOM 9300 CE1 TYR D 100H -42.812 39.996 -10.674 1.00 41.64 C +ATOM 9301 CE2 TYR D 100H -44.480 41.750 -10.648 1.00 24.95 C +ATOM 9302 CZ TYR D 100H -43.930 40.615 -11.238 1.00 44.46 C +ATOM 9303 OH TYR D 100H -44.500 40.097 -12.386 1.00 55.30 O +ATOM 9304 H TYR D 100H -40.072 41.581 -8.939 1.00 15.00 H +ATOM 9305 HH TYR D 100H -45.217 40.656 -12.701 1.00 15.00 H +ATOM 9306 N TYR D 100I -38.992 43.811 -6.628 1.00 29.01 N +ATOM 9307 CA TYR D 100I -38.172 44.155 -5.449 1.00 22.45 C +ATOM 9308 C TYR D 100I -37.984 42.968 -4.500 1.00 24.05 C +ATOM 9309 O TYR D 100I -38.224 43.072 -3.297 1.00 29.69 O +ATOM 9310 CB TYR D 100I -38.746 45.381 -4.720 1.00 21.07 C +ATOM 9311 CG TYR D 100I -38.792 46.594 -5.617 1.00 39.00 C +ATOM 9312 CD1 TYR D 100I -39.612 46.612 -6.741 1.00 49.75 C +ATOM 9313 CD2 TYR D 100I -37.945 47.678 -5.412 1.00 48.71 C +ATOM 9314 CE1 TYR D 100I -39.581 47.669 -7.651 1.00 57.43 C +ATOM 9315 CE2 TYR D 100I -37.908 48.751 -6.320 1.00 60.65 C +ATOM 9316 CZ TYR D 100I -38.730 48.733 -7.442 1.00 59.23 C +ATOM 9317 OH TYR D 100I -38.699 49.754 -8.371 1.00 60.60 O +ATOM 9318 H TYR D 100I -38.632 43.870 -7.521 1.00 15.00 H +ATOM 9319 HH TYR D 100I -39.324 49.550 -9.086 1.00 15.00 H +ATOM 9320 N ALA D 100J -37.506 41.856 -5.065 1.00 13.36 N +ATOM 9321 CA ALA D 100J -37.285 40.617 -4.338 1.00 4.33 C +ATOM 9322 C ALA D 100J -36.401 39.667 -5.150 1.00 10.38 C +ATOM 9323 O ALA D 100J -36.512 39.605 -6.367 1.00 26.22 O +ATOM 9324 CB ALA D 100J -38.609 39.965 -4.047 1.00 5.98 C +ATOM 9325 H ALA D 100J -37.305 41.832 -6.011 1.00 15.00 H +ATOM 9326 N MET D 100K -35.517 38.937 -4.482 1.00 11.11 N +ATOM 9327 CA MET D 100K -34.623 38.022 -5.167 1.00 14.81 C +ATOM 9328 C MET D 100K -35.304 36.728 -5.508 1.00 10.55 C +ATOM 9329 O MET D 100K -35.583 35.919 -4.634 1.00 27.28 O +ATOM 9330 CB MET D 100K -33.383 37.731 -4.325 1.00 26.30 C +ATOM 9331 CG MET D 100K -32.521 38.942 -4.052 1.00 21.09 C +ATOM 9332 SD MET D 100K -33.041 39.803 -2.595 1.00 33.67 S +ATOM 9333 CE MET D 100K -31.564 40.674 -2.227 1.00 21.16 C +ATOM 9334 H MET D 100K -35.499 38.981 -3.501 1.00 15.00 H +ATOM 9335 N ASP D 101 -35.549 36.527 -6.789 1.00 5.34 N +ATOM 9336 CA ASP D 101 -36.200 35.323 -7.258 1.00 11.70 C +ATOM 9337 C ASP D 101 -35.218 34.172 -7.386 1.00 17.84 C +ATOM 9338 O ASP D 101 -35.610 33.007 -7.326 1.00 32.75 O +ATOM 9339 CB ASP D 101 -36.908 35.580 -8.590 1.00 19.74 C +ATOM 9340 CG ASP D 101 -35.950 35.807 -9.740 1.00 26.06 C +ATOM 9341 OD1 ASP D 101 -34.949 36.535 -9.578 1.00 42.21 O +ATOM 9342 OD2 ASP D 101 -36.212 35.267 -10.826 1.00 20.32 O +ATOM 9343 H ASP D 101 -35.273 37.224 -7.415 1.00 15.00 H +ATOM 9344 N TYR D 102 -33.944 34.490 -7.564 1.00 22.31 N +ATOM 9345 CA TYR D 102 -32.924 33.459 -7.688 1.00 27.80 C +ATOM 9346 C TYR D 102 -31.658 33.806 -6.943 1.00 28.59 C +ATOM 9347 O TYR D 102 -31.173 34.937 -7.035 1.00 33.59 O +ATOM 9348 CB TYR D 102 -32.609 33.167 -9.150 1.00 29.29 C +ATOM 9349 CG TYR D 102 -33.653 32.304 -9.794 1.00 45.58 C +ATOM 9350 CD1 TYR D 102 -33.815 30.977 -9.405 1.00 53.97 C +ATOM 9351 CD2 TYR D 102 -34.500 32.813 -10.767 1.00 55.21 C +ATOM 9352 CE1 TYR D 102 -34.801 30.180 -9.967 1.00 62.96 C +ATOM 9353 CE2 TYR D 102 -35.489 32.027 -11.338 1.00 62.08 C +ATOM 9354 CZ TYR D 102 -35.635 30.713 -10.934 1.00 66.61 C +ATOM 9355 OH TYR D 102 -36.619 29.935 -11.498 1.00 80.40 O +ATOM 9356 H TYR D 102 -33.661 35.428 -7.588 1.00 15.00 H +ATOM 9357 HH TYR D 102 -36.595 29.053 -11.116 1.00 15.00 H +ATOM 9358 N TRP D 103 -31.156 32.840 -6.173 1.00 28.66 N +ATOM 9359 CA TRP D 103 -29.935 33.017 -5.392 1.00 17.09 C +ATOM 9360 C TRP D 103 -28.937 31.936 -5.764 1.00 18.50 C +ATOM 9361 O TRP D 103 -29.317 30.823 -6.138 1.00 23.22 O +ATOM 9362 CB TRP D 103 -30.210 32.950 -3.894 1.00 2.00 C +ATOM 9363 CG TRP D 103 -31.360 33.792 -3.379 1.00 5.49 C +ATOM 9364 CD1 TRP D 103 -32.651 33.754 -3.805 1.00 7.36 C +ATOM 9365 CD2 TRP D 103 -31.350 34.626 -2.212 1.00 2.00 C +ATOM 9366 NE1 TRP D 103 -33.448 34.481 -2.964 1.00 15.50 N +ATOM 9367 CE2 TRP D 103 -32.676 35.021 -1.973 1.00 10.28 C +ATOM 9368 CE3 TRP D 103 -30.350 35.058 -1.332 1.00 2.00 C +ATOM 9369 CZ2 TRP D 103 -33.034 35.821 -0.883 1.00 17.16 C +ATOM 9370 CZ3 TRP D 103 -30.705 35.850 -0.253 1.00 2.00 C +ATOM 9371 CH2 TRP D 103 -32.035 36.222 -0.037 1.00 2.00 C +ATOM 9372 H TRP D 103 -31.583 31.958 -6.130 1.00 15.00 H +ATOM 9373 HE1 TRP D 103 -34.412 34.639 -3.094 1.00 15.00 H +ATOM 9374 N GLY D 104 -27.659 32.285 -5.691 1.00 21.64 N +ATOM 9375 CA GLY D 104 -26.606 31.350 -6.032 1.00 14.72 C +ATOM 9376 C GLY D 104 -26.245 30.472 -4.865 1.00 17.90 C +ATOM 9377 O GLY D 104 -26.880 30.579 -3.804 1.00 8.11 O +ATOM 9378 H GLY D 104 -27.423 33.191 -5.402 1.00 15.00 H +ATOM 9379 N GLN D 105 -25.214 29.640 -5.043 1.00 18.96 N +ATOM 9380 CA GLN D 105 -24.777 28.721 -3.988 1.00 25.51 C +ATOM 9381 C GLN D 105 -24.105 29.375 -2.776 1.00 20.82 C +ATOM 9382 O GLN D 105 -24.138 28.832 -1.680 1.00 33.06 O +ATOM 9383 CB GLN D 105 -23.944 27.551 -4.550 1.00 27.71 C +ATOM 9384 CG GLN D 105 -22.925 27.882 -5.653 1.00 47.58 C +ATOM 9385 CD GLN D 105 -21.614 28.494 -5.142 1.00 63.25 C +ATOM 9386 OE1 GLN D 105 -21.516 29.707 -4.955 1.00 71.02 O +ATOM 9387 NE2 GLN D 105 -20.594 27.660 -4.963 1.00 71.04 N +ATOM 9388 H GLN D 105 -24.771 29.667 -5.917 1.00 15.00 H +ATOM 9389 HE21 GLN D 105 -19.764 28.061 -4.630 1.00 15.00 H +ATOM 9390 HE22 GLN D 105 -20.716 26.710 -5.159 1.00 15.00 H +ATOM 9391 N GLY D 106 -23.605 30.589 -2.945 1.00 19.48 N +ATOM 9392 CA GLY D 106 -22.957 31.279 -1.848 1.00 8.05 C +ATOM 9393 C GLY D 106 -21.505 30.879 -1.735 1.00 14.95 C +ATOM 9394 O GLY D 106 -21.119 29.794 -2.163 1.00 11.11 O +ATOM 9395 H GLY D 106 -23.684 31.000 -3.804 1.00 15.00 H +ATOM 9396 N THR D 107 -20.676 31.796 -1.257 1.00 18.72 N +ATOM 9397 CA THR D 107 -19.269 31.501 -1.074 1.00 19.21 C +ATOM 9398 C THR D 107 -18.962 31.930 0.363 1.00 28.92 C +ATOM 9399 O THR D 107 -19.593 32.869 0.883 1.00 32.13 O +ATOM 9400 CB THR D 107 -18.384 32.230 -2.111 1.00 14.24 C +ATOM 9401 OG1 THR D 107 -17.112 31.573 -2.213 1.00 15.90 O +ATOM 9402 CG2 THR D 107 -18.157 33.652 -1.714 1.00 9.54 C +ATOM 9403 H THR D 107 -21.007 32.687 -1.001 1.00 15.00 H +ATOM 9404 HG1 THR D 107 -17.306 30.677 -2.513 1.00 15.00 H +ATOM 9405 N THR D 108 -18.068 31.192 1.024 1.00 27.69 N +ATOM 9406 CA THR D 108 -17.711 31.475 2.409 1.00 24.00 C +ATOM 9407 C THR D 108 -16.560 32.440 2.526 1.00 20.53 C +ATOM 9408 O THR D 108 -15.520 32.267 1.889 1.00 20.21 O +ATOM 9409 CB THR D 108 -17.281 30.204 3.132 1.00 28.04 C +ATOM 9410 OG1 THR D 108 -18.177 29.135 2.799 1.00 54.31 O +ATOM 9411 CG2 THR D 108 -17.285 30.427 4.642 1.00 22.06 C +ATOM 9412 H THR D 108 -17.619 30.437 0.596 1.00 15.00 H +ATOM 9413 HG1 THR D 108 -18.994 29.244 3.292 1.00 15.00 H +ATOM 9414 N VAL D 109 -16.742 33.459 3.346 1.00 22.42 N +ATOM 9415 CA VAL D 109 -15.676 34.422 3.560 1.00 29.46 C +ATOM 9416 C VAL D 109 -15.475 34.624 5.051 1.00 30.39 C +ATOM 9417 O VAL D 109 -16.428 34.945 5.798 1.00 15.82 O +ATOM 9418 CB VAL D 109 -15.950 35.779 2.884 1.00 31.52 C +ATOM 9419 CG1 VAL D 109 -14.844 36.756 3.224 1.00 21.31 C +ATOM 9420 CG2 VAL D 109 -16.012 35.608 1.377 1.00 38.97 C +ATOM 9421 H VAL D 109 -17.588 33.601 3.829 1.00 15.00 H +ATOM 9422 N THR D 110 -14.229 34.415 5.473 1.00 28.89 N +ATOM 9423 CA THR D 110 -13.845 34.548 6.866 1.00 24.69 C +ATOM 9424 C THR D 110 -12.714 35.563 7.015 1.00 15.41 C +ATOM 9425 O THR D 110 -11.666 35.441 6.375 1.00 10.20 O +ATOM 9426 CB THR D 110 -13.382 33.188 7.420 1.00 25.61 C +ATOM 9427 OG1 THR D 110 -14.311 32.161 7.038 1.00 41.04 O +ATOM 9428 CG2 THR D 110 -13.297 33.243 8.923 1.00 26.10 C +ATOM 9429 H THR D 110 -13.530 34.167 4.845 1.00 15.00 H +ATOM 9430 HG1 THR D 110 -15.190 32.426 7.325 1.00 15.00 H +ATOM 9431 N VAL D 111 -12.954 36.613 7.789 1.00 9.88 N +ATOM 9432 CA VAL D 111 -11.919 37.615 8.025 1.00 20.07 C +ATOM 9433 C VAL D 111 -11.314 37.323 9.407 1.00 28.07 C +ATOM 9434 O VAL D 111 -11.946 37.562 10.450 1.00 20.58 O +ATOM 9435 CB VAL D 111 -12.487 39.052 7.963 1.00 18.14 C +ATOM 9436 CG1 VAL D 111 -11.446 40.063 8.401 1.00 17.99 C +ATOM 9437 CG2 VAL D 111 -12.934 39.364 6.559 1.00 20.28 C +ATOM 9438 H VAL D 111 -13.824 36.722 8.228 1.00 15.00 H +ATOM 9439 N SER D 112 -10.112 36.758 9.411 1.00 31.40 N +ATOM 9440 CA SER D 112 -9.457 36.421 10.663 1.00 36.63 C +ATOM 9441 C SER D 112 -7.936 36.399 10.543 1.00 32.00 C +ATOM 9442 O SER D 112 -7.375 35.923 9.546 1.00 21.07 O +ATOM 9443 CB SER D 112 -9.970 35.071 11.180 1.00 45.43 C +ATOM 9444 OG SER D 112 -9.899 34.998 12.597 1.00 45.74 O +ATOM 9445 H SER D 112 -9.639 36.586 8.568 1.00 15.00 H +ATOM 9446 HG SER D 112 -10.582 35.579 12.948 1.00 15.00 H +ATOM 9447 N SER D 113 -7.293 36.896 11.597 1.00 27.27 N +ATOM 9448 CA SER D 113 -5.843 36.987 11.695 1.00 24.74 C +ATOM 9449 C SER D 113 -5.198 35.617 11.746 1.00 27.33 C +ATOM 9450 O SER D 113 -3.998 35.474 11.523 1.00 31.86 O +ATOM 9451 CB SER D 113 -5.490 37.750 12.961 1.00 22.15 C +ATOM 9452 OG SER D 113 -6.593 38.543 13.390 1.00 33.78 O +ATOM 9453 H SER D 113 -7.797 37.248 12.354 1.00 15.00 H +ATOM 9454 HG SER D 113 -6.307 39.065 14.150 1.00 15.00 H +ATOM 9455 N ALA D 114 -6.009 34.619 12.075 1.00 33.86 N +ATOM 9456 CA ALA D 114 -5.557 33.237 12.200 1.00 31.41 C +ATOM 9457 C ALA D 114 -5.021 32.712 10.901 1.00 24.20 C +ATOM 9458 O ALA D 114 -5.434 33.140 9.836 1.00 24.78 O +ATOM 9459 CB ALA D 114 -6.704 32.347 12.664 1.00 31.76 C +ATOM 9460 H ALA D 114 -6.957 34.798 12.215 1.00 15.00 H +ATOM 9461 N LYS D 115 -4.110 31.761 10.996 1.00 28.85 N +ATOM 9462 CA LYS D 115 -3.542 31.172 9.807 1.00 39.63 C +ATOM 9463 C LYS D 115 -4.359 29.956 9.413 1.00 36.08 C +ATOM 9464 O LYS D 115 -5.035 29.366 10.244 1.00 37.36 O +ATOM 9465 CB LYS D 115 -2.070 30.816 10.029 1.00 50.83 C +ATOM 9466 CG LYS D 115 -1.183 32.052 10.212 1.00 69.91 C +ATOM 9467 CD LYS D 115 0.311 31.736 10.091 1.00 80.78 C +ATOM 9468 CE LYS D 115 1.154 33.017 10.162 1.00 85.98 C +ATOM 9469 NZ LYS D 115 2.627 32.785 10.019 1.00 89.62 N +ATOM 9470 H LYS D 115 -3.848 31.420 11.870 1.00 15.00 H +ATOM 9471 HZ1 LYS D 115 2.961 32.160 10.780 1.00 15.00 H +ATOM 9472 HZ2 LYS D 115 2.821 32.350 9.095 1.00 15.00 H +ATOM 9473 HZ3 LYS D 115 3.123 33.698 10.081 1.00 15.00 H +ATOM 9474 N THR D 116 -4.336 29.634 8.126 1.00 42.81 N +ATOM 9475 CA THR D 116 -5.062 28.496 7.571 1.00 47.39 C +ATOM 9476 C THR D 116 -4.421 27.209 8.069 1.00 48.91 C +ATOM 9477 O THR D 116 -3.205 27.052 7.974 1.00 52.21 O +ATOM 9478 CB THR D 116 -4.974 28.501 6.028 1.00 51.09 C +ATOM 9479 OG1 THR D 116 -5.324 29.801 5.528 1.00 55.09 O +ATOM 9480 CG2 THR D 116 -5.907 27.453 5.426 1.00 49.81 C +ATOM 9481 H THR D 116 -3.824 30.169 7.494 1.00 15.00 H +ATOM 9482 HG1 THR D 116 -5.300 29.764 4.565 1.00 15.00 H +ATOM 9483 N THR D 117 -5.236 26.268 8.539 1.00 48.75 N +ATOM 9484 CA THR D 117 -4.716 25.004 9.054 1.00 42.70 C +ATOM 9485 C THR D 117 -5.396 23.791 8.435 1.00 35.82 C +ATOM 9486 O THR D 117 -6.626 23.697 8.417 1.00 28.63 O +ATOM 9487 CB THR D 117 -4.887 24.923 10.593 1.00 47.55 C +ATOM 9488 OG1 THR D 117 -4.965 26.246 11.140 1.00 54.18 O +ATOM 9489 CG2 THR D 117 -3.700 24.219 11.223 1.00 49.34 C +ATOM 9490 H THR D 117 -6.201 26.425 8.560 1.00 15.00 H +ATOM 9491 HG1 THR D 117 -5.169 26.234 12.077 1.00 15.00 H +ATOM 9492 N ALA D 118 -4.584 22.870 7.926 1.00 37.54 N +ATOM 9493 CA ALA D 118 -5.076 21.635 7.326 1.00 44.58 C +ATOM 9494 C ALA D 118 -5.663 20.780 8.444 1.00 47.89 C +ATOM 9495 O ALA D 118 -5.103 20.712 9.531 1.00 54.92 O +ATOM 9496 CB ALA D 118 -3.920 20.896 6.664 1.00 49.09 C +ATOM 9497 H ALA D 118 -3.622 23.011 7.995 1.00 15.00 H +ATOM 9498 N PRO D 119 -6.787 20.105 8.189 1.00 51.95 N +ATOM 9499 CA PRO D 119 -7.400 19.271 9.221 1.00 50.80 C +ATOM 9500 C PRO D 119 -6.761 17.884 9.336 1.00 54.09 C +ATOM 9501 O PRO D 119 -5.889 17.506 8.544 1.00 55.86 O +ATOM 9502 CB PRO D 119 -8.834 19.162 8.733 1.00 49.46 C +ATOM 9503 CG PRO D 119 -8.633 19.013 7.251 1.00 53.28 C +ATOM 9504 CD PRO D 119 -7.572 20.064 6.943 1.00 57.78 C +ATOM 9505 N SER D 120 -7.205 17.139 10.341 1.00 53.43 N +ATOM 9506 CA SER D 120 -6.751 15.781 10.575 1.00 45.25 C +ATOM 9507 C SER D 120 -8.033 14.954 10.676 1.00 48.27 C +ATOM 9508 O SER D 120 -9.017 15.382 11.302 1.00 42.66 O +ATOM 9509 CB SER D 120 -5.918 15.703 11.850 1.00 39.27 C +ATOM 9510 OG SER D 120 -4.634 16.271 11.654 1.00 45.02 O +ATOM 9511 H SER D 120 -7.857 17.509 10.979 1.00 15.00 H +ATOM 9512 HG SER D 120 -4.740 17.166 11.307 1.00 15.00 H +ATOM 9513 N VAL D 121 -8.047 13.819 9.979 1.00 50.76 N +ATOM 9514 CA VAL D 121 -9.208 12.924 9.940 1.00 50.66 C +ATOM 9515 C VAL D 121 -8.949 11.644 10.728 1.00 46.86 C +ATOM 9516 O VAL D 121 -7.886 11.037 10.592 1.00 51.76 O +ATOM 9517 CB VAL D 121 -9.545 12.531 8.490 1.00 47.63 C +ATOM 9518 CG1 VAL D 121 -10.899 11.849 8.433 1.00 49.73 C +ATOM 9519 CG2 VAL D 121 -9.497 13.748 7.587 1.00 41.95 C +ATOM 9520 H VAL D 121 -7.249 13.541 9.489 1.00 15.00 H +ATOM 9521 N TYR D 122 -9.940 11.192 11.488 1.00 33.63 N +ATOM 9522 CA TYR D 122 -9.770 9.998 12.296 1.00 24.85 C +ATOM 9523 C TYR D 122 -10.919 9.032 12.139 1.00 27.21 C +ATOM 9524 O TYR D 122 -12.052 9.361 12.470 1.00 20.58 O +ATOM 9525 CB TYR D 122 -9.655 10.379 13.771 1.00 22.13 C +ATOM 9526 CG TYR D 122 -8.478 11.266 14.092 1.00 15.36 C +ATOM 9527 CD1 TYR D 122 -7.207 10.944 13.642 1.00 11.62 C +ATOM 9528 CD2 TYR D 122 -8.645 12.450 14.816 1.00 14.79 C +ATOM 9529 CE1 TYR D 122 -6.130 11.770 13.887 1.00 14.59 C +ATOM 9530 CE2 TYR D 122 -7.575 13.290 15.069 1.00 7.70 C +ATOM 9531 CZ TYR D 122 -6.316 12.941 14.594 1.00 21.65 C +ATOM 9532 OH TYR D 122 -5.234 13.772 14.801 1.00 42.06 O +ATOM 9533 H TYR D 122 -10.804 11.635 11.469 1.00 15.00 H +ATOM 9534 HH TYR D 122 -4.439 13.406 14.390 1.00 15.00 H +ATOM 9535 N PRO D 123 -10.645 7.823 11.628 1.00 30.24 N +ATOM 9536 CA PRO D 123 -11.692 6.815 11.443 1.00 31.93 C +ATOM 9537 C PRO D 123 -12.191 6.280 12.775 1.00 38.21 C +ATOM 9538 O PRO D 123 -11.448 5.637 13.522 1.00 48.27 O +ATOM 9539 CB PRO D 123 -10.993 5.740 10.609 1.00 30.90 C +ATOM 9540 CG PRO D 123 -9.573 5.867 11.007 1.00 34.05 C +ATOM 9541 CD PRO D 123 -9.369 7.360 11.065 1.00 30.69 C +ATOM 9542 N LEU D 124 -13.442 6.582 13.087 1.00 36.67 N +ATOM 9543 CA LEU D 124 -14.025 6.128 14.333 1.00 38.21 C +ATOM 9544 C LEU D 124 -14.710 4.788 14.174 1.00 44.51 C +ATOM 9545 O LEU D 124 -15.922 4.728 13.939 1.00 44.98 O +ATOM 9546 CB LEU D 124 -15.030 7.140 14.871 1.00 33.19 C +ATOM 9547 CG LEU D 124 -14.539 8.509 15.320 1.00 30.92 C +ATOM 9548 CD1 LEU D 124 -15.743 9.326 15.769 1.00 38.23 C +ATOM 9549 CD2 LEU D 124 -13.538 8.369 16.448 1.00 38.37 C +ATOM 9550 H LEU D 124 -13.999 7.103 12.473 1.00 15.00 H +ATOM 9551 N ALA D 125 -13.925 3.716 14.257 1.00 51.07 N +ATOM 9552 CA ALA D 125 -14.467 2.360 14.173 1.00 59.21 C +ATOM 9553 C ALA D 125 -15.209 2.125 15.496 1.00 61.82 C +ATOM 9554 O ALA D 125 -14.928 2.790 16.493 1.00 70.42 O +ATOM 9555 CB ALA D 125 -13.332 1.354 14.017 1.00 55.73 C +ATOM 9556 H ALA D 125 -12.971 3.851 14.425 1.00 15.00 H +ATOM 9557 N PRO D 126 -16.190 1.214 15.519 1.00 61.12 N +ATOM 9558 CA PRO D 126 -16.891 0.996 16.786 1.00 63.91 C +ATOM 9559 C PRO D 126 -15.994 0.306 17.812 1.00 74.61 C +ATOM 9560 O PRO D 126 -14.870 -0.103 17.495 1.00 74.15 O +ATOM 9561 CB PRO D 126 -18.072 0.134 16.368 1.00 62.93 C +ATOM 9562 CG PRO D 126 -17.511 -0.662 15.235 1.00 61.32 C +ATOM 9563 CD PRO D 126 -16.761 0.381 14.451 1.00 61.32 C +ATOM 9564 N VAL D 127 -16.503 0.166 19.034 1.00 86.44 N +ATOM 9565 CA VAL D 127 -15.755 -0.447 20.135 1.00100.23 C +ATOM 9566 C VAL D 127 -15.235 -1.853 19.872 1.00109.52 C +ATOM 9567 O VAL D 127 -15.934 -2.687 19.288 1.00111.32 O +ATOM 9568 CB VAL D 127 -16.579 -0.465 21.444 1.00100.57 C +ATOM 9569 CG1 VAL D 127 -16.970 0.949 21.826 1.00105.70 C +ATOM 9570 CG2 VAL D 127 -17.818 -1.343 21.295 1.00 99.71 C +ATOM 9571 H VAL D 127 -17.412 0.481 19.193 1.00 15.00 H +ATOM 9572 N CYS D 128 -14.018 -2.118 20.350 1.00120.07 N +ATOM 9573 CA CYS D 128 -13.388 -3.426 20.182 1.00130.84 C +ATOM 9574 C CYS D 128 -14.334 -4.514 20.658 1.00134.59 C +ATOM 9575 O CYS D 128 -14.353 -5.614 20.105 1.00134.97 O +ATOM 9576 CB CYS D 128 -12.052 -3.506 20.925 1.00136.66 C +ATOM 9577 SG CYS D 128 -12.083 -3.008 22.678 1.00150.08 S +ATOM 9578 H CYS D 128 -13.520 -1.417 20.817 1.00 15.00 H +ATOM 9579 N GLY D 129 -15.100 -4.207 21.703 1.00138.05 N +ATOM 9580 CA GLY D 129 -16.083 -5.149 22.197 1.00142.54 C +ATOM 9581 C GLY D 129 -17.180 -5.075 21.155 1.00145.13 C +ATOM 9582 O GLY D 129 -18.164 -4.349 21.321 1.00144.94 O +ATOM 9583 H GLY D 129 -15.004 -3.337 22.132 1.00 15.00 H +ATOM 9584 N ASP D 130 -16.960 -5.778 20.049 1.00147.60 N +ATOM 9585 CA ASP D 130 -17.874 -5.800 18.917 1.00151.17 C +ATOM 9586 C ASP D 130 -19.349 -5.911 19.285 1.00152.29 C +ATOM 9587 O ASP D 130 -19.904 -7.007 19.424 1.00153.03 O +ATOM 9588 CB ASP D 130 -17.457 -6.888 17.919 1.00154.41 C +ATOM 9589 CG ASP D 130 -16.046 -6.670 17.363 1.00156.03 C +ATOM 9590 OD1 ASP D 130 -15.636 -5.499 17.197 1.00155.55 O +ATOM 9591 OD2 ASP D 130 -15.346 -7.671 17.094 1.00157.14 O +ATOM 9592 H ASP D 130 -16.136 -6.305 19.988 1.00 15.00 H +ATOM 9593 N THR D 133 -19.970 -4.749 19.458 1.00153.23 N +ATOM 9594 CA THR D 133 -21.381 -4.657 19.800 1.00152.95 C +ATOM 9595 C THR D 133 -22.203 -4.997 18.547 1.00152.36 C +ATOM 9596 O THR D 133 -22.699 -4.111 17.843 1.00155.10 O +ATOM 9597 CB THR D 133 -21.720 -3.235 20.332 1.00151.96 C +ATOM 9598 OG1 THR D 133 -20.862 -2.923 21.440 1.00149.42 O +ATOM 9599 CG2 THR D 133 -23.173 -3.157 20.795 1.00150.58 C +ATOM 9600 H THR D 133 -19.447 -3.927 19.368 1.00 15.00 H +ATOM 9601 HG1 THR D 133 -19.963 -3.254 21.300 1.00 15.00 H +ATOM 9602 N THR D 134 -22.283 -6.290 18.247 1.00146.94 N +ATOM 9603 CA THR D 134 -23.019 -6.781 17.089 1.00138.98 C +ATOM 9604 C THR D 134 -24.525 -6.629 17.296 1.00134.18 C +ATOM 9605 O THR D 134 -25.008 -6.680 18.426 1.00134.35 O +ATOM 9606 CB THR D 134 -22.681 -8.263 16.821 1.00138.13 C +ATOM 9607 OG1 THR D 134 -22.927 -9.037 18.002 1.00139.38 O +ATOM 9608 CG2 THR D 134 -21.216 -8.408 16.432 1.00137.23 C +ATOM 9609 H THR D 134 -21.849 -6.930 18.845 1.00 15.00 H +ATOM 9610 HG1 THR D 134 -22.329 -8.798 18.716 1.00 15.00 H +ATOM 9611 N GLY D 135 -25.255 -6.426 16.203 1.00128.31 N +ATOM 9612 CA GLY D 135 -26.697 -6.268 16.283 1.00120.62 C +ATOM 9613 C GLY D 135 -27.302 -6.086 14.906 1.00116.35 C +ATOM 9614 O GLY D 135 -27.548 -7.055 14.190 1.00117.27 O +ATOM 9615 H GLY D 135 -24.823 -6.399 15.327 1.00 15.00 H +ATOM 9616 N SER D 136 -27.509 -4.834 14.519 1.00113.44 N +ATOM 9617 CA SER D 136 -28.083 -4.504 13.217 1.00107.55 C +ATOM 9618 C SER D 136 -27.644 -3.097 12.814 1.00103.96 C +ATOM 9619 O SER D 136 -27.198 -2.864 11.691 1.00104.49 O +ATOM 9620 CB SER D 136 -29.611 -4.588 13.284 1.00106.52 C +ATOM 9621 OG SER D 136 -30.107 -3.922 14.435 1.00104.05 O +ATOM 9622 H SER D 136 -27.283 -4.110 15.136 1.00 15.00 H +ATOM 9623 HG SER D 136 -31.066 -4.022 14.466 1.00 15.00 H +ATOM 9624 N SER D 137 -27.755 -2.170 13.757 1.00 96.51 N +ATOM 9625 CA SER D 137 -27.371 -0.785 13.542 1.00 86.98 C +ATOM 9626 C SER D 137 -25.883 -0.564 13.849 1.00 81.47 C +ATOM 9627 O SER D 137 -25.530 -0.045 14.917 1.00 81.26 O +ATOM 9628 CB SER D 137 -28.228 0.116 14.436 1.00 86.04 C +ATOM 9629 OG SER D 137 -28.126 -0.273 15.800 1.00 77.04 O +ATOM 9630 H SER D 137 -28.152 -2.387 14.627 1.00 15.00 H +ATOM 9631 HG SER D 137 -27.225 -0.085 16.098 1.00 15.00 H +ATOM 9632 N VAL D 138 -25.010 -0.966 12.929 1.00 70.28 N +ATOM 9633 CA VAL D 138 -23.570 -0.791 13.126 1.00 55.42 C +ATOM 9634 C VAL D 138 -23.152 0.633 12.756 1.00 53.08 C +ATOM 9635 O VAL D 138 -22.575 0.888 11.699 1.00 55.50 O +ATOM 9636 CB VAL D 138 -22.740 -1.856 12.347 1.00 45.36 C +ATOM 9637 CG1 VAL D 138 -23.183 -1.930 10.909 1.00 52.32 C +ATOM 9638 CG2 VAL D 138 -21.257 -1.545 12.412 1.00 29.81 C +ATOM 9639 H VAL D 138 -25.352 -1.343 12.087 1.00 15.00 H +ATOM 9640 N THR D 139 -23.473 1.567 13.640 1.00 48.80 N +ATOM 9641 CA THR D 139 -23.146 2.969 13.426 1.00 44.69 C +ATOM 9642 C THR D 139 -21.636 3.198 13.476 1.00 41.86 C +ATOM 9643 O THR D 139 -20.949 2.619 14.315 1.00 49.28 O +ATOM 9644 CB THR D 139 -23.833 3.846 14.503 1.00 41.72 C +ATOM 9645 OG1 THR D 139 -23.581 5.228 14.233 1.00 39.05 O +ATOM 9646 CG2 THR D 139 -23.312 3.500 15.904 1.00 43.70 C +ATOM 9647 H THR D 139 -23.922 1.289 14.464 1.00 15.00 H +ATOM 9648 HG1 THR D 139 -22.666 5.442 14.460 1.00 15.00 H +ATOM 9649 N LEU D 140 -21.115 4.005 12.560 1.00 39.13 N +ATOM 9650 CA LEU D 140 -19.689 4.321 12.557 1.00 35.60 C +ATOM 9651 C LEU D 140 -19.596 5.828 12.414 1.00 35.75 C +ATOM 9652 O LEU D 140 -20.625 6.517 12.389 1.00 37.91 O +ATOM 9653 CB LEU D 140 -18.952 3.662 11.389 1.00 34.62 C +ATOM 9654 CG LEU D 140 -19.293 2.273 10.848 1.00 30.71 C +ATOM 9655 CD1 LEU D 140 -18.188 1.890 9.887 1.00 29.51 C +ATOM 9656 CD2 LEU D 140 -19.398 1.239 11.934 1.00 29.56 C +ATOM 9657 H LEU D 140 -21.686 4.408 11.877 1.00 15.00 H +ATOM 9658 N GLY D 141 -18.376 6.340 12.302 1.00 33.48 N +ATOM 9659 CA GLY D 141 -18.202 7.772 12.144 1.00 35.24 C +ATOM 9660 C GLY D 141 -16.754 8.150 11.954 1.00 34.44 C +ATOM 9661 O GLY D 141 -15.885 7.276 11.949 1.00 43.28 O +ATOM 9662 H GLY D 141 -17.569 5.778 12.343 1.00 15.00 H +ATOM 9663 N CYS D 142 -16.497 9.422 11.676 1.00 26.00 N +ATOM 9664 CA CYS D 142 -15.129 9.891 11.542 1.00 24.97 C +ATOM 9665 C CYS D 142 -15.016 11.306 12.070 1.00 26.02 C +ATOM 9666 O CYS D 142 -15.946 12.115 11.951 1.00 25.03 O +ATOM 9667 CB CYS D 142 -14.569 9.744 10.123 1.00 33.44 C +ATOM 9668 SG CYS D 142 -15.348 10.690 8.778 1.00 62.48 S +ATOM 9669 H CYS D 142 -17.233 10.061 11.562 1.00 15.00 H +ATOM 9670 N LEU D 143 -13.926 11.538 12.787 1.00 27.58 N +ATOM 9671 CA LEU D 143 -13.648 12.815 13.407 1.00 30.83 C +ATOM 9672 C LEU D 143 -12.778 13.582 12.467 1.00 31.06 C +ATOM 9673 O LEU D 143 -11.847 13.021 11.892 1.00 27.88 O +ATOM 9674 CB LEU D 143 -12.842 12.603 14.686 1.00 31.96 C +ATOM 9675 CG LEU D 143 -13.237 13.256 16.017 1.00 34.83 C +ATOM 9676 CD1 LEU D 143 -12.078 13.024 16.975 1.00 33.50 C +ATOM 9677 CD2 LEU D 143 -13.537 14.744 15.893 1.00 14.09 C +ATOM 9678 H LEU D 143 -13.265 10.822 12.877 1.00 15.00 H +ATOM 9679 N VAL D 144 -13.072 14.867 12.334 1.00 34.65 N +ATOM 9680 CA VAL D 144 -12.299 15.768 11.489 1.00 38.49 C +ATOM 9681 C VAL D 144 -11.940 16.868 12.469 1.00 36.56 C +ATOM 9682 O VAL D 144 -12.794 17.689 12.833 1.00 41.77 O +ATOM 9683 CB VAL D 144 -13.160 16.354 10.344 1.00 39.06 C +ATOM 9684 CG1 VAL D 144 -12.308 17.228 9.464 1.00 33.45 C +ATOM 9685 CG2 VAL D 144 -13.814 15.235 9.524 1.00 35.61 C +ATOM 9686 H VAL D 144 -13.832 15.240 12.821 1.00 15.00 H +ATOM 9687 N LYS D 145 -10.701 16.885 12.935 1.00 30.03 N +ATOM 9688 CA LYS D 145 -10.357 17.888 13.922 1.00 32.91 C +ATOM 9689 C LYS D 145 -9.221 18.802 13.539 1.00 32.48 C +ATOM 9690 O LYS D 145 -8.313 18.413 12.796 1.00 40.56 O +ATOM 9691 CB LYS D 145 -10.065 17.215 15.270 1.00 37.61 C +ATOM 9692 CG LYS D 145 -10.068 18.154 16.482 1.00 51.82 C +ATOM 9693 CD LYS D 145 -9.687 17.420 17.780 1.00 57.28 C +ATOM 9694 CE LYS D 145 -10.134 18.175 19.047 1.00 55.62 C +ATOM 9695 NZ LYS D 145 -9.363 19.422 19.345 1.00 57.70 N +ATOM 9696 H LYS D 145 -10.032 16.251 12.616 1.00 15.00 H +ATOM 9697 HZ1 LYS D 145 -9.442 20.086 18.549 1.00 15.00 H +ATOM 9698 HZ2 LYS D 145 -9.743 19.861 20.208 1.00 15.00 H +ATOM 9699 HZ3 LYS D 145 -8.364 19.177 19.495 1.00 15.00 H +ATOM 9700 N GLY D 146 -9.326 20.038 14.017 1.00 29.70 N +ATOM 9701 CA GLY D 146 -8.304 21.045 13.807 1.00 29.22 C +ATOM 9702 C GLY D 146 -8.103 21.576 12.409 1.00 38.26 C +ATOM 9703 O GLY D 146 -7.069 21.311 11.790 1.00 42.75 O +ATOM 9704 H GLY D 146 -10.144 20.295 14.495 1.00 15.00 H +ATOM 9705 N TYR D 147 -9.065 22.361 11.926 1.00 35.55 N +ATOM 9706 CA TYR D 147 -8.969 22.951 10.595 1.00 26.46 C +ATOM 9707 C TYR D 147 -9.494 24.384 10.596 1.00 25.84 C +ATOM 9708 O TYR D 147 -10.328 24.749 11.433 1.00 24.16 O +ATOM 9709 CB TYR D 147 -9.742 22.117 9.579 1.00 22.56 C +ATOM 9710 CG TYR D 147 -11.253 22.219 9.688 1.00 30.04 C +ATOM 9711 CD1 TYR D 147 -11.947 23.268 9.086 1.00 33.66 C +ATOM 9712 CD2 TYR D 147 -11.991 21.250 10.356 1.00 34.11 C +ATOM 9713 CE1 TYR D 147 -13.327 23.342 9.142 1.00 34.66 C +ATOM 9714 CE2 TYR D 147 -13.381 21.316 10.416 1.00 28.78 C +ATOM 9715 CZ TYR D 147 -14.036 22.361 9.804 1.00 32.42 C +ATOM 9716 OH TYR D 147 -15.405 22.406 9.812 1.00 37.95 O +ATOM 9717 H TYR D 147 -9.857 22.541 12.472 1.00 15.00 H +ATOM 9718 HH TYR D 147 -15.723 21.636 10.288 1.00 15.00 H +ATOM 9719 N PHE D 148 -8.994 25.192 9.662 1.00 25.36 N +ATOM 9720 CA PHE D 148 -9.416 26.593 9.521 1.00 23.46 C +ATOM 9721 C PHE D 148 -9.214 27.043 8.070 1.00 22.40 C +ATOM 9722 O PHE D 148 -8.189 26.741 7.455 1.00 19.10 O +ATOM 9723 CB PHE D 148 -8.612 27.517 10.451 1.00 8.73 C +ATOM 9724 CG PHE D 148 -9.313 28.821 10.792 1.00 4.62 C +ATOM 9725 CD1 PHE D 148 -10.411 28.841 11.635 1.00 8.70 C +ATOM 9726 CD2 PHE D 148 -8.859 30.027 10.291 1.00 11.83 C +ATOM 9727 CE1 PHE D 148 -11.047 30.046 11.971 1.00 2.00 C +ATOM 9728 CE2 PHE D 148 -9.496 31.234 10.629 1.00 12.45 C +ATOM 9729 CZ PHE D 148 -10.591 31.232 11.471 1.00 2.00 C +ATOM 9730 H PHE D 148 -8.291 24.854 9.063 1.00 15.00 H +ATOM 9731 N PRO D 149 -10.220 27.717 7.488 1.00 18.58 N +ATOM 9732 CA PRO D 149 -11.481 28.037 8.153 1.00 21.78 C +ATOM 9733 C PRO D 149 -12.583 27.186 7.544 1.00 25.21 C +ATOM 9734 O PRO D 149 -12.307 26.209 6.843 1.00 12.20 O +ATOM 9735 CB PRO D 149 -11.667 29.489 7.778 1.00 23.79 C +ATOM 9736 CG PRO D 149 -11.254 29.449 6.313 1.00 25.20 C +ATOM 9737 CD PRO D 149 -10.114 28.457 6.222 1.00 5.54 C +ATOM 9738 N GLU D 150 -13.827 27.545 7.837 1.00 34.02 N +ATOM 9739 CA GLU D 150 -14.964 26.834 7.276 1.00 36.98 C +ATOM 9740 C GLU D 150 -14.893 27.069 5.774 1.00 39.49 C +ATOM 9741 O GLU D 150 -14.423 28.117 5.333 1.00 45.22 O +ATOM 9742 CB GLU D 150 -16.269 27.410 7.823 1.00 35.90 C +ATOM 9743 CG GLU D 150 -16.703 26.840 9.171 1.00 40.23 C +ATOM 9744 CD GLU D 150 -17.629 25.642 9.030 1.00 47.69 C +ATOM 9745 OE1 GLU D 150 -17.162 24.571 8.569 1.00 35.93 O +ATOM 9746 OE2 GLU D 150 -18.829 25.780 9.375 1.00 55.92 O +ATOM 9747 H GLU D 150 -13.999 28.326 8.399 1.00 15.00 H +ATOM 9748 N PRO D 151 -15.344 26.102 4.972 1.00 39.02 N +ATOM 9749 CA PRO D 151 -15.892 24.843 5.449 1.00 42.66 C +ATOM 9750 C PRO D 151 -15.115 23.670 4.868 1.00 42.03 C +ATOM 9751 O PRO D 151 -14.081 23.857 4.218 1.00 36.09 O +ATOM 9752 CB PRO D 151 -17.303 24.897 4.892 1.00 48.08 C +ATOM 9753 CG PRO D 151 -17.064 25.474 3.505 1.00 41.70 C +ATOM 9754 CD PRO D 151 -15.824 26.365 3.606 1.00 38.57 C +ATOM 9755 N VAL D 152 -15.618 22.467 5.131 1.00 42.89 N +ATOM 9756 CA VAL D 152 -15.017 21.233 4.638 1.00 36.24 C +ATOM 9757 C VAL D 152 -16.137 20.413 4.026 1.00 37.61 C +ATOM 9758 O VAL D 152 -17.319 20.603 4.356 1.00 35.26 O +ATOM 9759 CB VAL D 152 -14.393 20.379 5.773 1.00 32.10 C +ATOM 9760 CG1 VAL D 152 -13.304 21.136 6.469 1.00 19.56 C +ATOM 9761 CG2 VAL D 152 -15.457 19.955 6.770 1.00 33.97 C +ATOM 9762 H VAL D 152 -16.443 22.372 5.652 1.00 15.00 H +ATOM 9763 N THR D 153 -15.767 19.476 3.169 1.00 32.53 N +ATOM 9764 CA THR D 153 -16.758 18.646 2.539 1.00 44.58 C +ATOM 9765 C THR D 153 -16.500 17.221 2.979 1.00 43.58 C +ATOM 9766 O THR D 153 -15.451 16.651 2.679 1.00 46.19 O +ATOM 9767 CB THR D 153 -16.683 18.789 1.016 1.00 54.39 C +ATOM 9768 OG1 THR D 153 -16.717 20.185 0.668 1.00 55.31 O +ATOM 9769 CG2 THR D 153 -17.862 18.091 0.364 1.00 66.03 C +ATOM 9770 H THR D 153 -14.819 19.327 2.971 1.00 15.00 H +ATOM 9771 HG1 THR D 153 -16.054 20.658 1.174 1.00 15.00 H +ATOM 9772 N LEU D 154 -17.427 16.689 3.765 1.00 40.71 N +ATOM 9773 CA LEU D 154 -17.325 15.340 4.280 1.00 41.62 C +ATOM 9774 C LEU D 154 -18.385 14.473 3.624 1.00 47.44 C +ATOM 9775 O LEU D 154 -19.574 14.764 3.715 1.00 53.14 O +ATOM 9776 CB LEU D 154 -17.515 15.371 5.795 1.00 41.95 C +ATOM 9777 CG LEU D 154 -17.735 14.088 6.595 1.00 41.09 C +ATOM 9778 CD1 LEU D 154 -16.847 12.963 6.094 1.00 50.65 C +ATOM 9779 CD2 LEU D 154 -17.437 14.380 8.047 1.00 38.52 C +ATOM 9780 H LEU D 154 -18.227 17.208 3.985 1.00 15.00 H +ATOM 9781 N THR D 156 -17.951 13.410 2.961 1.00 52.15 N +ATOM 9782 CA THR D 156 -18.863 12.500 2.290 1.00 54.40 C +ATOM 9783 C THR D 156 -18.360 11.069 2.467 1.00 54.77 C +ATOM 9784 O THR D 156 -17.164 10.843 2.657 1.00 52.44 O +ATOM 9785 CB THR D 156 -18.985 12.838 0.779 1.00 61.56 C +ATOM 9786 OG1 THR D 156 -19.958 11.980 0.173 1.00 70.84 O +ATOM 9787 CG2 THR D 156 -17.648 12.657 0.062 1.00 60.42 C +ATOM 9788 H THR D 156 -17.007 13.196 2.925 1.00 15.00 H +ATOM 9789 HG1 THR D 156 -20.855 12.214 0.446 1.00 15.00 H +ATOM 9790 N TRP D 157 -19.268 10.103 2.382 1.00 51.63 N +ATOM 9791 CA TRP D 157 -18.904 8.700 2.536 1.00 50.05 C +ATOM 9792 C TRP D 157 -18.994 8.015 1.181 1.00 50.37 C +ATOM 9793 O TRP D 157 -19.880 8.318 0.390 1.00 49.01 O +ATOM 9794 CB TRP D 157 -19.842 7.998 3.527 1.00 48.75 C +ATOM 9795 CG TRP D 157 -19.915 8.635 4.892 1.00 41.85 C +ATOM 9796 CD1 TRP D 157 -20.672 9.712 5.255 1.00 44.99 C +ATOM 9797 CD2 TRP D 157 -19.222 8.221 6.072 1.00 42.60 C +ATOM 9798 NE1 TRP D 157 -20.496 9.995 6.588 1.00 37.13 N +ATOM 9799 CE2 TRP D 157 -19.613 9.096 7.116 1.00 41.64 C +ATOM 9800 CE3 TRP D 157 -18.309 7.198 6.354 1.00 42.47 C +ATOM 9801 CZ2 TRP D 157 -19.122 8.977 8.416 1.00 38.04 C +ATOM 9802 CZ3 TRP D 157 -17.820 7.079 7.648 1.00 33.99 C +ATOM 9803 CH2 TRP D 157 -18.229 7.965 8.663 1.00 42.13 C +ATOM 9804 H TRP D 157 -20.200 10.316 2.164 1.00 15.00 H +ATOM 9805 HE1 TRP D 157 -20.886 10.754 7.087 1.00 15.00 H +ATOM 9806 N ASN D 162 -18.075 7.088 0.921 1.00 57.28 N +ATOM 9807 CA ASN D 162 -18.035 6.351 -0.345 1.00 61.19 C +ATOM 9808 C ASN D 162 -17.963 7.297 -1.537 1.00 64.24 C +ATOM 9809 O ASN D 162 -18.556 7.049 -2.586 1.00 63.06 O +ATOM 9810 CB ASN D 162 -19.252 5.427 -0.481 1.00 63.35 C +ATOM 9811 CG ASN D 162 -19.169 4.205 0.414 1.00 66.33 C +ATOM 9812 OD1 ASN D 162 -20.189 3.718 0.905 1.00 70.11 O +ATOM 9813 ND2 ASN D 162 -17.959 3.689 0.616 1.00 60.00 N +ATOM 9814 H ASN D 162 -17.399 6.908 1.612 1.00 15.00 H +ATOM 9815 HD21 ASN D 162 -17.889 2.886 1.178 1.00 15.00 H +ATOM 9816 HD22 ASN D 162 -17.172 4.085 0.195 1.00 15.00 H +ATOM 9817 N SER D 163 -17.257 8.404 -1.345 1.00 71.97 N +ATOM 9818 CA SER D 163 -17.090 9.416 -2.377 1.00 77.45 C +ATOM 9819 C SER D 163 -18.416 10.039 -2.815 1.00 77.34 C +ATOM 9820 O SER D 163 -18.480 10.709 -3.844 1.00 83.00 O +ATOM 9821 CB SER D 163 -16.340 8.833 -3.577 1.00 78.73 C +ATOM 9822 OG SER D 163 -15.071 8.342 -3.176 1.00 85.47 O +ATOM 9823 H SER D 163 -16.838 8.547 -0.490 1.00 15.00 H +ATOM 9824 HG SER D 163 -14.537 9.052 -2.797 1.00 15.00 H +ATOM 9825 N GLY D 164 -19.468 9.828 -2.029 1.00 73.90 N +ATOM 9826 CA GLY D 164 -20.754 10.405 -2.365 1.00 67.57 C +ATOM 9827 C GLY D 164 -21.936 9.460 -2.361 1.00 68.87 C +ATOM 9828 O GLY D 164 -23.051 9.877 -2.036 1.00 72.43 O +ATOM 9829 H GLY D 164 -19.416 9.302 -1.212 1.00 15.00 H +ATOM 9830 N SER D 165 -21.707 8.197 -2.707 1.00 67.16 N +ATOM 9831 CA SER D 165 -22.787 7.209 -2.770 1.00 66.57 C +ATOM 9832 C SER D 165 -23.603 7.026 -1.488 1.00 62.18 C +ATOM 9833 O SER D 165 -24.827 7.211 -1.477 1.00 59.77 O +ATOM 9834 CB SER D 165 -22.244 5.857 -3.246 1.00 71.97 C +ATOM 9835 OG SER D 165 -21.716 5.948 -4.561 1.00 74.80 O +ATOM 9836 H SER D 165 -20.797 7.922 -2.947 1.00 15.00 H +ATOM 9837 HG SER D 165 -21.464 5.086 -4.905 1.00 15.00 H +ATOM 9838 N LEU D 166 -22.936 6.649 -0.408 1.00 59.46 N +ATOM 9839 CA LEU D 166 -23.629 6.432 0.853 1.00 59.48 C +ATOM 9840 C LEU D 166 -24.171 7.753 1.415 1.00 56.05 C +ATOM 9841 O LEU D 166 -23.414 8.622 1.846 1.00 57.90 O +ATOM 9842 CB LEU D 166 -22.696 5.720 1.843 1.00 53.78 C +ATOM 9843 CG LEU D 166 -23.310 5.105 3.104 1.00 50.39 C +ATOM 9844 CD1 LEU D 166 -24.675 4.490 2.812 1.00 41.16 C +ATOM 9845 CD2 LEU D 166 -22.353 4.067 3.669 1.00 56.07 C +ATOM 9846 H LEU D 166 -21.963 6.575 -0.433 1.00 15.00 H +ATOM 9847 N SER D 167 -25.486 7.911 1.365 1.00 55.09 N +ATOM 9848 CA SER D 167 -26.124 9.126 1.851 1.00 58.20 C +ATOM 9849 C SER D 167 -27.211 8.843 2.880 1.00 61.79 C +ATOM 9850 O SER D 167 -27.712 9.754 3.536 1.00 60.30 O +ATOM 9851 CB SER D 167 -26.727 9.889 0.668 1.00 62.09 C +ATOM 9852 OG SER D 167 -27.575 9.055 -0.114 1.00 62.05 O +ATOM 9853 H SER D 167 -26.038 7.237 0.942 1.00 15.00 H +ATOM 9854 HG SER D 167 -27.965 9.688 -0.728 1.00 15.00 H +ATOM 9855 N SER D 168 -27.560 7.571 3.030 1.00 66.92 N +ATOM 9856 CA SER D 168 -28.610 7.159 3.950 1.00 68.18 C +ATOM 9857 C SER D 168 -28.128 6.822 5.356 1.00 64.10 C +ATOM 9858 O SER D 168 -27.216 6.015 5.539 1.00 65.24 O +ATOM 9859 CB SER D 168 -29.357 5.965 3.354 1.00 77.16 C +ATOM 9860 OG SER D 168 -28.444 5.009 2.835 1.00 90.41 O +ATOM 9861 H SER D 168 -27.103 6.862 2.543 1.00 15.00 H +ATOM 9862 HG SER D 168 -28.002 4.605 3.600 1.00 15.00 H +ATOM 9863 N GLY D 169 -28.766 7.430 6.348 1.00 57.15 N +ATOM 9864 CA GLY D 169 -28.398 7.170 7.725 1.00 50.77 C +ATOM 9865 C GLY D 169 -27.184 7.956 8.161 1.00 45.68 C +ATOM 9866 O GLY D 169 -26.694 7.809 9.286 1.00 49.25 O +ATOM 9867 H GLY D 169 -29.473 8.079 6.151 1.00 15.00 H +ATOM 9868 N VAL D 171 -26.694 8.804 7.272 1.00 38.33 N +ATOM 9869 CA VAL D 171 -25.542 9.605 7.604 1.00 38.54 C +ATOM 9870 C VAL D 171 -25.999 10.852 8.349 1.00 41.85 C +ATOM 9871 O VAL D 171 -27.175 11.224 8.293 1.00 45.14 O +ATOM 9872 CB VAL D 171 -24.783 10.010 6.353 1.00 35.01 C +ATOM 9873 CG1 VAL D 171 -25.664 10.865 5.468 1.00 42.37 C +ATOM 9874 CG2 VAL D 171 -23.525 10.757 6.736 1.00 47.81 C +ATOM 9875 H VAL D 171 -27.127 8.935 6.409 1.00 15.00 H +ATOM 9876 N HIS D 172 -25.089 11.428 9.127 1.00 43.70 N +ATOM 9877 CA HIS D 172 -25.343 12.649 9.886 1.00 41.28 C +ATOM 9878 C HIS D 172 -24.015 13.395 9.928 1.00 39.88 C +ATOM 9879 O HIS D 172 -22.962 12.782 10.107 1.00 44.13 O +ATOM 9880 CB HIS D 172 -25.784 12.336 11.315 1.00 33.69 C +ATOM 9881 CG HIS D 172 -27.115 11.670 11.408 1.00 42.90 C +ATOM 9882 ND1 HIS D 172 -27.277 10.309 11.261 1.00 42.74 N +ATOM 9883 CD2 HIS D 172 -28.349 12.174 11.650 1.00 50.23 C +ATOM 9884 CE1 HIS D 172 -28.554 10.003 11.408 1.00 55.11 C +ATOM 9885 NE2 HIS D 172 -29.226 11.117 11.647 1.00 57.25 N +ATOM 9886 H HIS D 172 -24.203 11.009 9.230 1.00 15.00 H +ATOM 9887 HD1 HIS D 172 -26.565 9.654 11.074 1.00 15.00 H +ATOM 9888 HE2 HIS D 172 -30.194 11.181 11.828 1.00 15.00 H +ATOM 9889 N THR D 173 -24.051 14.698 9.702 1.00 30.40 N +ATOM 9890 CA THR D 173 -22.840 15.488 9.744 1.00 25.77 C +ATOM 9891 C THR D 173 -23.148 16.642 10.665 1.00 27.51 C +ATOM 9892 O THR D 173 -24.180 17.305 10.542 1.00 36.72 O +ATOM 9893 CB THR D 173 -22.375 15.908 8.336 1.00 34.83 C +ATOM 9894 OG1 THR D 173 -21.993 14.730 7.609 1.00 46.20 O +ATOM 9895 CG2 THR D 173 -21.176 16.845 8.403 1.00 13.61 C +ATOM 9896 H THR D 173 -24.890 15.166 9.512 1.00 15.00 H +ATOM 9897 HG1 THR D 173 -21.680 14.965 6.725 1.00 15.00 H +ATOM 9898 N PHE D 174 -22.278 16.814 11.646 1.00 26.74 N +ATOM 9899 CA PHE D 174 -22.469 17.824 12.662 1.00 24.42 C +ATOM 9900 C PHE D 174 -21.864 19.192 12.424 1.00 20.05 C +ATOM 9901 O PHE D 174 -20.704 19.322 12.010 1.00 16.58 O +ATOM 9902 CB PHE D 174 -22.026 17.261 14.010 1.00 22.05 C +ATOM 9903 CG PHE D 174 -22.677 15.952 14.348 1.00 29.10 C +ATOM 9904 CD1 PHE D 174 -23.896 15.919 15.019 1.00 27.57 C +ATOM 9905 CD2 PHE D 174 -22.082 14.748 13.974 1.00 29.76 C +ATOM 9906 CE1 PHE D 174 -24.510 14.702 15.314 1.00 33.62 C +ATOM 9907 CE2 PHE D 174 -22.688 13.529 14.263 1.00 27.76 C +ATOM 9908 CZ PHE D 174 -23.902 13.505 14.933 1.00 23.45 C +ATOM 9909 H PHE D 174 -21.463 16.263 11.688 1.00 15.00 H +ATOM 9910 N PRO D 175 -22.688 20.236 12.602 1.00 16.46 N +ATOM 9911 CA PRO D 175 -22.263 21.617 12.429 1.00 18.93 C +ATOM 9912 C PRO D 175 -20.943 21.747 13.149 1.00 23.33 C +ATOM 9913 O PRO D 175 -20.889 21.691 14.375 1.00 32.36 O +ATOM 9914 CB PRO D 175 -23.359 22.386 13.151 1.00 4.23 C +ATOM 9915 CG PRO D 175 -24.568 21.626 12.760 1.00 17.52 C +ATOM 9916 CD PRO D 175 -24.136 20.170 12.879 1.00 17.29 C +ATOM 9917 N ALA D 176 -19.869 21.767 12.373 1.00 25.32 N +ATOM 9918 CA ALA D 176 -18.543 21.900 12.936 1.00 28.37 C +ATOM 9919 C ALA D 176 -18.601 23.032 13.918 1.00 24.11 C +ATOM 9920 O ALA D 176 -19.387 23.953 13.737 1.00 14.31 O +ATOM 9921 CB ALA D 176 -17.545 22.227 11.858 1.00 35.73 C +ATOM 9922 H ALA D 176 -19.984 21.674 11.411 1.00 15.00 H +ATOM 9923 N VAL D 177 -17.796 22.941 14.968 1.00 32.88 N +ATOM 9924 CA VAL D 177 -17.749 23.980 15.979 1.00 38.89 C +ATOM 9925 C VAL D 177 -16.283 24.303 16.249 1.00 36.39 C +ATOM 9926 O VAL D 177 -15.406 23.510 15.896 1.00 29.57 O +ATOM 9927 CB VAL D 177 -18.461 23.521 17.251 1.00 34.40 C +ATOM 9928 CG1 VAL D 177 -17.668 22.426 17.919 1.00 34.40 C +ATOM 9929 CG2 VAL D 177 -18.716 24.705 18.170 1.00 38.12 C +ATOM 9930 H VAL D 177 -17.212 22.159 15.059 1.00 15.00 H +ATOM 9931 N LEU D 178 -16.011 25.470 16.831 1.00 40.21 N +ATOM 9932 CA LEU D 178 -14.631 25.869 17.105 1.00 49.66 C +ATOM 9933 C LEU D 178 -14.231 26.131 18.558 1.00 58.48 C +ATOM 9934 O LEU D 178 -15.015 26.655 19.361 1.00 58.28 O +ATOM 9935 CB LEU D 178 -14.222 27.079 16.247 1.00 47.39 C +ATOM 9936 CG LEU D 178 -15.070 28.356 16.095 1.00 46.93 C +ATOM 9937 CD1 LEU D 178 -15.829 28.732 17.361 1.00 39.67 C +ATOM 9938 CD2 LEU D 178 -14.160 29.505 15.642 1.00 39.11 C +ATOM 9939 H LEU D 178 -16.732 26.072 17.103 1.00 15.00 H +ATOM 9940 N GLN D 179 -12.989 25.775 18.876 1.00 65.80 N +ATOM 9941 CA GLN D 179 -12.425 25.988 20.202 1.00 71.50 C +ATOM 9942 C GLN D 179 -10.992 26.483 20.008 1.00 69.69 C +ATOM 9943 O GLN D 179 -10.131 25.754 19.500 1.00 60.47 O +ATOM 9944 CB GLN D 179 -12.451 24.701 21.042 1.00 81.88 C +ATOM 9945 CG GLN D 179 -12.112 24.925 22.529 1.00101.61 C +ATOM 9946 CD GLN D 179 -12.176 23.654 23.386 1.00111.79 C +ATOM 9947 OE1 GLN D 179 -13.007 23.546 24.291 1.00115.11 O +ATOM 9948 NE2 GLN D 179 -11.271 22.711 23.130 1.00118.08 N +ATOM 9949 H GLN D 179 -12.426 25.348 18.190 1.00 15.00 H +ATOM 9950 HE21 GLN D 179 -11.321 21.895 23.670 1.00 15.00 H +ATOM 9951 HE22 GLN D 179 -10.612 22.885 22.427 1.00 15.00 H +ATOM 9952 N SER D 180 -10.786 27.756 20.337 1.00 71.52 N +ATOM 9953 CA SER D 180 -9.488 28.413 20.227 1.00 78.76 C +ATOM 9954 C SER D 180 -8.814 28.264 18.864 1.00 78.51 C +ATOM 9955 O SER D 180 -7.921 27.437 18.681 1.00 82.48 O +ATOM 9956 CB SER D 180 -8.556 27.941 21.346 1.00 81.94 C +ATOM 9957 OG SER D 180 -9.139 28.194 22.615 1.00 88.37 O +ATOM 9958 H SER D 180 -11.532 28.266 20.708 1.00 15.00 H +ATOM 9959 HG SER D 180 -9.157 29.134 22.834 1.00 15.00 H +ATOM 9960 N ASP D 183 -9.277 29.072 17.913 1.00 76.98 N +ATOM 9961 CA ASP D 183 -8.757 29.111 16.546 1.00 70.01 C +ATOM 9962 C ASP D 183 -8.793 27.810 15.746 1.00 58.07 C +ATOM 9963 O ASP D 183 -8.156 27.720 14.698 1.00 53.61 O +ATOM 9964 CB ASP D 183 -7.335 29.707 16.516 1.00 84.29 C +ATOM 9965 CG ASP D 183 -7.330 31.237 16.510 1.00 96.41 C +ATOM 9966 OD1 ASP D 183 -8.275 31.837 15.948 1.00101.53 O +ATOM 9967 OD2 ASP D 183 -6.374 31.844 17.052 1.00100.67 O +ATOM 9968 H ASP D 183 -10.011 29.671 18.140 1.00 15.00 H +ATOM 9969 N LEU D 184 -9.524 26.804 16.218 1.00 42.24 N +ATOM 9970 CA LEU D 184 -9.604 25.553 15.477 1.00 25.31 C +ATOM 9971 C LEU D 184 -10.999 24.987 15.422 1.00 21.08 C +ATOM 9972 O LEU D 184 -11.763 25.111 16.372 1.00 22.04 O +ATOM 9973 CB LEU D 184 -8.650 24.514 16.047 1.00 30.65 C +ATOM 9974 CG LEU D 184 -7.158 24.755 15.782 1.00 31.63 C +ATOM 9975 CD1 LEU D 184 -6.351 23.621 16.401 1.00 36.64 C +ATOM 9976 CD2 LEU D 184 -6.874 24.861 14.280 1.00 15.05 C +ATOM 9977 H LEU D 184 -9.987 26.863 17.075 1.00 15.00 H +ATOM 9978 N TYR D 185 -11.342 24.424 14.271 1.00 18.10 N +ATOM 9979 CA TYR D 185 -12.644 23.813 14.061 1.00 19.99 C +ATOM 9980 C TYR D 185 -12.554 22.304 14.219 1.00 23.51 C +ATOM 9981 O TYR D 185 -11.501 21.696 14.005 1.00 27.17 O +ATOM 9982 CB TYR D 185 -13.191 24.133 12.660 1.00 27.82 C +ATOM 9983 CG TYR D 185 -13.832 25.492 12.531 1.00 23.46 C +ATOM 9984 CD1 TYR D 185 -15.121 25.721 13.004 1.00 23.21 C +ATOM 9985 CD2 TYR D 185 -13.144 26.558 11.954 1.00 28.69 C +ATOM 9986 CE1 TYR D 185 -15.713 26.982 12.907 1.00 26.36 C +ATOM 9987 CE2 TYR D 185 -13.726 27.820 11.854 1.00 27.81 C +ATOM 9988 CZ TYR D 185 -15.008 28.025 12.330 1.00 23.78 C +ATOM 9989 OH TYR D 185 -15.589 29.265 12.203 1.00 29.69 O +ATOM 9990 H TYR D 185 -10.706 24.427 13.527 1.00 15.00 H +ATOM 9991 HH TYR D 185 -16.483 29.239 12.554 1.00 15.00 H +ATOM 9992 N THR D 186 -13.689 21.706 14.541 1.00 26.25 N +ATOM 9993 CA THR D 186 -13.796 20.279 14.727 1.00 23.65 C +ATOM 9994 C THR D 186 -15.183 19.884 14.241 1.00 25.77 C +ATOM 9995 O THR D 186 -16.187 20.536 14.556 1.00 17.60 O +ATOM 9996 CB THR D 186 -13.648 19.939 16.210 1.00 32.34 C +ATOM 9997 OG1 THR D 186 -12.389 20.435 16.684 1.00 43.68 O +ATOM 9998 CG2 THR D 186 -13.719 18.439 16.430 1.00 42.91 C +ATOM 9999 H THR D 186 -14.493 22.245 14.699 1.00 15.00 H +ATOM 10000 HG1 THR D 186 -12.343 20.333 17.640 1.00 15.00 H +ATOM 10001 N LEU D 187 -15.235 18.817 13.464 1.00 28.64 N +ATOM 10002 CA LEU D 187 -16.490 18.328 12.924 1.00 35.14 C +ATOM 10003 C LEU D 187 -16.464 16.811 12.905 1.00 37.34 C +ATOM 10004 O LEU D 187 -15.417 16.199 12.689 1.00 36.98 O +ATOM 10005 CB LEU D 187 -16.689 18.887 11.512 1.00 38.24 C +ATOM 10006 CG LEU D 187 -17.532 18.156 10.469 1.00 34.87 C +ATOM 10007 CD1 LEU D 187 -18.200 19.155 9.531 1.00 21.39 C +ATOM 10008 CD2 LEU D 187 -16.645 17.194 9.694 1.00 38.79 C +ATOM 10009 H LEU D 187 -14.423 18.322 13.255 1.00 15.00 H +ATOM 10010 N SER D 188 -17.622 16.212 13.122 1.00 37.67 N +ATOM 10011 CA SER D 188 -17.744 14.766 13.136 1.00 44.75 C +ATOM 10012 C SER D 188 -18.945 14.364 12.294 1.00 48.50 C +ATOM 10013 O SER D 188 -19.868 15.159 12.107 1.00 49.64 O +ATOM 10014 CB SER D 188 -17.970 14.298 14.574 1.00 54.65 C +ATOM 10015 OG SER D 188 -19.043 15.013 15.182 1.00 44.86 O +ATOM 10016 H SER D 188 -18.441 16.722 13.283 1.00 15.00 H +ATOM 10017 HG SER D 188 -19.403 14.448 15.880 1.00 15.00 H +ATOM 10018 N SER D 189 -18.936 13.137 11.788 1.00 49.48 N +ATOM 10019 CA SER D 189 -20.049 12.625 10.989 1.00 49.08 C +ATOM 10020 C SER D 189 -20.270 11.193 11.425 1.00 50.14 C +ATOM 10021 O SER D 189 -19.296 10.463 11.653 1.00 49.72 O +ATOM 10022 CB SER D 189 -19.718 12.643 9.490 1.00 46.36 C +ATOM 10023 OG SER D 189 -20.801 12.175 8.693 1.00 37.08 O +ATOM 10024 H SER D 189 -18.162 12.552 11.930 1.00 15.00 H +ATOM 10025 HG SER D 189 -21.523 12.817 8.778 1.00 15.00 H +ATOM 10026 N SER D 190 -21.536 10.798 11.547 1.00 50.23 N +ATOM 10027 CA SER D 190 -21.890 9.444 11.955 1.00 52.23 C +ATOM 10028 C SER D 190 -22.785 8.799 10.916 1.00 55.93 C +ATOM 10029 O SER D 190 -23.827 9.356 10.562 1.00 59.53 O +ATOM 10030 CB SER D 190 -22.643 9.475 13.280 1.00 48.76 C +ATOM 10031 OG SER D 190 -23.829 10.241 13.155 1.00 47.44 O +ATOM 10032 H SER D 190 -22.273 11.412 11.341 1.00 15.00 H +ATOM 10033 HG SER D 190 -24.263 10.266 14.020 1.00 15.00 H +ATOM 10034 N VAL D 191 -22.362 7.659 10.383 1.00 59.44 N +ATOM 10035 CA VAL D 191 -23.177 6.947 9.410 1.00 57.12 C +ATOM 10036 C VAL D 191 -23.701 5.728 10.127 1.00 56.42 C +ATOM 10037 O VAL D 191 -22.938 4.872 10.560 1.00 49.96 O +ATOM 10038 CB VAL D 191 -22.399 6.527 8.128 1.00 58.12 C +ATOM 10039 CG1 VAL D 191 -21.249 5.572 8.448 1.00 53.28 C +ATOM 10040 CG2 VAL D 191 -23.357 5.889 7.134 1.00 54.18 C +ATOM 10041 H VAL D 191 -21.512 7.276 10.680 1.00 15.00 H +ATOM 10042 N THR D 192 -25.001 5.700 10.343 1.00 64.21 N +ATOM 10043 CA THR D 192 -25.617 4.581 11.024 1.00 77.23 C +ATOM 10044 C THR D 192 -25.982 3.530 9.968 1.00 83.35 C +ATOM 10045 O THR D 192 -27.155 3.257 9.724 1.00 89.20 O +ATOM 10046 CB THR D 192 -26.862 5.068 11.796 1.00 81.98 C +ATOM 10047 OG1 THR D 192 -26.699 6.457 12.129 1.00 85.37 O +ATOM 10048 CG2 THR D 192 -27.032 4.276 13.086 1.00 84.21 C +ATOM 10049 H THR D 192 -25.583 6.440 10.062 1.00 15.00 H +ATOM 10050 HG1 THR D 192 -25.860 6.529 12.597 1.00 15.00 H +ATOM 10051 N VAL D 193 -24.965 2.941 9.346 1.00 93.36 N +ATOM 10052 CA VAL D 193 -25.162 1.944 8.291 1.00105.81 C +ATOM 10053 C VAL D 193 -25.833 0.647 8.760 1.00112.96 C +ATOM 10054 O VAL D 193 -25.879 0.358 9.956 1.00113.93 O +ATOM 10055 CB VAL D 193 -23.821 1.620 7.582 1.00108.49 C +ATOM 10056 CG1 VAL D 193 -22.986 0.661 8.414 1.00109.52 C +ATOM 10057 CG2 VAL D 193 -24.069 1.074 6.190 1.00110.16 C +ATOM 10058 H VAL D 193 -24.054 3.164 9.629 1.00 15.00 H +ATOM 10059 N THR D 194 -26.346 -0.123 7.801 1.00125.64 N +ATOM 10060 CA THR D 194 -27.030 -1.392 8.065 1.00136.67 C +ATOM 10061 C THR D 194 -26.093 -2.552 8.426 1.00135.07 C +ATOM 10062 O THR D 194 -24.976 -2.646 7.906 1.00136.61 O +ATOM 10063 CB THR D 194 -27.919 -1.821 6.855 1.00144.42 C +ATOM 10064 OG1 THR D 194 -27.156 -1.774 5.638 1.00150.45 O +ATOM 10065 CG2 THR D 194 -29.136 -0.907 6.727 1.00147.68 C +ATOM 10066 H THR D 194 -26.272 0.124 6.861 1.00 15.00 H +ATOM 10067 HG1 THR D 194 -27.715 -2.077 4.912 1.00 15.00 H +ATOM 10068 N SER D 195 -26.589 -3.457 9.271 1.00130.10 N +ATOM 10069 CA SER D 195 -25.836 -4.623 9.727 1.00123.90 C +ATOM 10070 C SER D 195 -25.111 -5.315 8.591 1.00122.92 C +ATOM 10071 O SER D 195 -23.878 -5.256 8.510 1.00118.27 O +ATOM 10072 CB SER D 195 -26.769 -5.616 10.426 1.00121.16 C +ATOM 10073 OG SER D 195 -27.969 -5.804 9.694 1.00117.86 O +ATOM 10074 H SER D 195 -27.488 -3.347 9.635 1.00 15.00 H +ATOM 10075 HG SER D 195 -28.478 -6.481 10.163 1.00 15.00 H +ATOM 10076 N SER D 196 -25.893 -5.936 7.707 1.00122.47 N +ATOM 10077 CA SER D 196 -25.372 -6.655 6.552 1.00121.71 C +ATOM 10078 C SER D 196 -24.082 -7.369 6.961 1.00124.28 C +ATOM 10079 O SER D 196 -24.119 -8.420 7.607 1.00125.06 O +ATOM 10080 CB SER D 196 -25.143 -5.676 5.386 1.00120.45 C +ATOM 10081 OG SER D 196 -24.303 -4.584 5.746 1.00111.99 O +ATOM 10082 H SER D 196 -26.860 -5.906 7.854 1.00 15.00 H +ATOM 10083 HG SER D 196 -24.610 -4.047 6.497 1.00 15.00 H +ATOM 10084 N THR D 198 -22.958 -6.733 6.658 1.00125.38 N +ATOM 10085 CA THR D 198 -21.631 -7.217 6.992 1.00125.47 C +ATOM 10086 C THR D 198 -20.781 -5.986 6.698 1.00120.54 C +ATOM 10087 O THR D 198 -20.346 -5.771 5.565 1.00120.59 O +ATOM 10088 CB THR D 198 -21.184 -8.417 6.097 1.00130.73 C +ATOM 10089 OG1 THR D 198 -22.189 -9.442 6.106 1.00134.81 O +ATOM 10090 CG2 THR D 198 -19.878 -9.017 6.620 1.00131.84 C +ATOM 10091 H THR D 198 -22.968 -5.867 6.202 1.00 15.00 H +ATOM 10092 HG1 THR D 198 -22.596 -9.500 6.980 1.00 15.00 H +ATOM 10093 N TRP D 199 -20.644 -5.123 7.699 1.00113.55 N +ATOM 10094 CA TRP D 199 -19.868 -3.898 7.550 1.00107.34 C +ATOM 10095 C TRP D 199 -18.546 -4.088 6.807 1.00104.39 C +ATOM 10096 O TRP D 199 -18.303 -3.412 5.812 1.00106.23 O +ATOM 10097 CB TRP D 199 -19.659 -3.214 8.914 1.00106.09 C +ATOM 10098 CG TRP D 199 -18.434 -2.321 9.013 1.00 99.74 C +ATOM 10099 CD1 TRP D 199 -17.971 -1.440 8.074 1.00 95.08 C +ATOM 10100 CD2 TRP D 199 -17.496 -2.274 10.096 1.00 93.97 C +ATOM 10101 NE1 TRP D 199 -16.802 -0.864 8.501 1.00 92.75 N +ATOM 10102 CE2 TRP D 199 -16.489 -1.356 9.740 1.00 90.42 C +ATOM 10103 CE3 TRP D 199 -17.409 -2.924 11.333 1.00 91.28 C +ATOM 10104 CZ2 TRP D 199 -15.407 -1.071 10.575 1.00 90.92 C +ATOM 10105 CZ3 TRP D 199 -16.330 -2.639 12.163 1.00 88.53 C +ATOM 10106 CH2 TRP D 199 -15.346 -1.721 11.778 1.00 86.49 C +ATOM 10107 H TRP D 199 -21.128 -5.301 8.532 1.00 15.00 H +ATOM 10108 HE1 TRP D 199 -16.265 -0.223 7.984 1.00 15.00 H +ATOM 10109 N PRO D 200 -17.689 -5.026 7.253 1.00102.15 N +ATOM 10110 CA PRO D 200 -16.402 -5.243 6.575 1.00103.45 C +ATOM 10111 C PRO D 200 -16.456 -5.810 5.144 1.00106.49 C +ATOM 10112 O PRO D 200 -15.460 -6.338 4.647 1.00104.70 O +ATOM 10113 CB PRO D 200 -15.675 -6.194 7.527 1.00102.84 C +ATOM 10114 CG PRO D 200 -16.285 -5.880 8.863 1.00 99.86 C +ATOM 10115 CD PRO D 200 -17.739 -5.794 8.508 1.00 98.16 C +ATOM 10116 N SER D 202 -17.610 -5.712 4.490 1.00111.57 N +ATOM 10117 CA SER D 202 -17.762 -6.201 3.124 1.00113.71 C +ATOM 10118 C SER D 202 -17.506 -5.095 2.098 1.00117.76 C +ATOM 10119 O SER D 202 -16.676 -5.259 1.201 1.00120.84 O +ATOM 10120 CB SER D 202 -19.154 -6.797 2.926 1.00112.32 C +ATOM 10121 OG SER D 202 -19.355 -7.881 3.811 1.00109.14 O +ATOM 10122 H SER D 202 -18.404 -5.312 4.892 1.00 15.00 H +ATOM 10123 HG SER D 202 -18.680 -8.544 3.641 1.00 15.00 H +ATOM 10124 N GLN D 203 -18.228 -3.981 2.216 1.00119.91 N +ATOM 10125 CA GLN D 203 -18.054 -2.857 1.294 1.00119.09 C +ATOM 10126 C GLN D 203 -17.215 -1.766 1.950 1.00110.38 C +ATOM 10127 O GLN D 203 -17.602 -1.195 2.969 1.00106.67 O +ATOM 10128 CB GLN D 203 -19.406 -2.284 0.841 1.00129.15 C +ATOM 10129 CG GLN D 203 -19.284 -1.124 -0.161 1.00140.80 C +ATOM 10130 CD GLN D 203 -20.624 -0.673 -0.735 1.00146.03 C +ATOM 10131 OE1 GLN D 203 -21.171 -1.309 -1.638 1.00147.83 O +ATOM 10132 NE2 GLN D 203 -21.143 0.441 -0.231 1.00147.14 N +ATOM 10133 H GLN D 203 -18.848 -3.877 2.969 1.00 15.00 H +ATOM 10134 HE21 GLN D 203 -22.017 0.702 -0.582 1.00 15.00 H +ATOM 10135 HE22 GLN D 203 -20.666 0.944 0.462 1.00 15.00 H +ATOM 10136 N SER D 204 -16.065 -1.481 1.353 1.00103.11 N +ATOM 10137 CA SER D 204 -15.159 -0.473 1.873 1.00 97.56 C +ATOM 10138 C SER D 204 -15.849 0.859 2.150 1.00 90.79 C +ATOM 10139 O SER D 204 -16.229 1.581 1.223 1.00 88.20 O +ATOM 10140 CB SER D 204 -13.985 -0.279 0.906 1.00100.61 C +ATOM 10141 OG SER D 204 -14.433 -0.183 -0.437 1.00108.52 O +ATOM 10142 H SER D 204 -15.807 -1.940 0.527 1.00 15.00 H +ATOM 10143 HG SER D 204 -14.981 0.609 -0.511 1.00 15.00 H +ATOM 10144 N ILE D 205 -16.074 1.137 3.430 1.00 81.56 N +ATOM 10145 CA ILE D 205 -16.691 2.388 3.846 1.00 71.49 C +ATOM 10146 C ILE D 205 -15.542 3.351 4.099 1.00 68.12 C +ATOM 10147 O ILE D 205 -14.688 3.092 4.945 1.00 70.44 O +ATOM 10148 CB ILE D 205 -17.526 2.211 5.128 1.00 64.67 C +ATOM 10149 CG1 ILE D 205 -18.697 1.269 4.851 1.00 63.35 C +ATOM 10150 CG2 ILE D 205 -18.037 3.555 5.614 1.00 60.69 C +ATOM 10151 CD1 ILE D 205 -19.678 1.149 5.985 1.00 62.92 C +ATOM 10152 H ILE D 205 -15.836 0.484 4.120 1.00 15.00 H +ATOM 10153 N THR D 206 -15.490 4.430 3.327 1.00 66.24 N +ATOM 10154 CA THR D 206 -14.416 5.402 3.461 1.00 63.27 C +ATOM 10155 C THR D 206 -14.914 6.794 3.819 1.00 60.30 C +ATOM 10156 O THR D 206 -15.942 7.250 3.311 1.00 60.36 O +ATOM 10157 CB THR D 206 -13.585 5.479 2.159 1.00 68.16 C +ATOM 10158 OG1 THR D 206 -14.463 5.674 1.043 1.00 76.81 O +ATOM 10159 CG2 THR D 206 -12.801 4.189 1.938 1.00 69.47 C +ATOM 10160 H THR D 206 -16.171 4.587 2.647 1.00 15.00 H +ATOM 10161 HG1 THR D 206 -13.883 5.797 0.278 1.00 15.00 H +ATOM 10162 N CYS D 208 -14.201 7.441 4.733 1.00 58.83 N +ATOM 10163 CA CYS D 208 -14.526 8.792 5.171 1.00 58.78 C +ATOM 10164 C CYS D 208 -13.806 9.693 4.171 1.00 57.09 C +ATOM 10165 O CYS D 208 -12.589 9.566 4.002 1.00 63.64 O +ATOM 10166 CB CYS D 208 -13.985 8.997 6.598 1.00 61.34 C +ATOM 10167 SG CYS D 208 -13.958 10.689 7.285 1.00 53.52 S +ATOM 10168 H CYS D 208 -13.415 7.007 5.127 1.00 15.00 H +ATOM 10169 N ASN D 209 -14.561 10.504 3.430 1.00 48.00 N +ATOM 10170 CA ASN D 209 -13.975 11.419 2.445 1.00 41.69 C +ATOM 10171 C ASN D 209 -14.125 12.853 2.921 1.00 39.93 C +ATOM 10172 O ASN D 209 -15.245 13.338 3.113 1.00 32.77 O +ATOM 10173 CB ASN D 209 -14.673 11.322 1.089 1.00 42.42 C +ATOM 10174 CG ASN D 209 -14.594 9.956 0.484 1.00 38.90 C +ATOM 10175 OD1 ASN D 209 -13.671 9.638 -0.272 1.00 26.70 O +ATOM 10176 ND2 ASN D 209 -15.586 9.138 0.780 1.00 42.33 N +ATOM 10177 H ASN D 209 -15.529 10.514 3.564 1.00 15.00 H +ATOM 10178 HD21 ASN D 209 -15.510 8.228 0.433 1.00 15.00 H +ATOM 10179 HD22 ASN D 209 -16.299 9.492 1.356 1.00 15.00 H +ATOM 10180 N VAL D 210 -13.003 13.536 3.097 1.00 33.35 N +ATOM 10181 CA VAL D 210 -13.033 14.919 3.537 1.00 31.32 C +ATOM 10182 C VAL D 210 -12.089 15.770 2.696 1.00 34.31 C +ATOM 10183 O VAL D 210 -10.985 15.337 2.338 1.00 33.53 O +ATOM 10184 CB VAL D 210 -12.688 15.046 5.031 1.00 18.21 C +ATOM 10185 CG1 VAL D 210 -12.481 16.500 5.410 1.00 21.25 C +ATOM 10186 CG2 VAL D 210 -13.822 14.499 5.855 1.00 31.03 C +ATOM 10187 H VAL D 210 -12.133 13.122 2.901 1.00 15.00 H +ATOM 10188 N ALA D 211 -12.551 16.960 2.335 1.00 29.32 N +ATOM 10189 CA ALA D 211 -11.742 17.868 1.543 1.00 32.36 C +ATOM 10190 C ALA D 211 -11.819 19.244 2.168 1.00 33.77 C +ATOM 10191 O ALA D 211 -12.848 19.615 2.749 1.00 34.15 O +ATOM 10192 CB ALA D 211 -12.223 17.905 0.099 1.00 34.31 C +ATOM 10193 H ALA D 211 -13.448 17.231 2.617 1.00 15.00 H +ATOM 10194 N HIS D 212 -10.711 19.972 2.101 1.00 33.46 N +ATOM 10195 CA HIS D 212 -10.631 21.319 2.654 1.00 35.27 C +ATOM 10196 C HIS D 212 -10.099 22.192 1.537 1.00 51.68 C +ATOM 10197 O HIS D 212 -9.003 21.958 1.017 1.00 63.47 O +ATOM 10198 CB HIS D 212 -9.677 21.361 3.852 1.00 21.12 C +ATOM 10199 CG HIS D 212 -9.849 22.564 4.724 1.00 11.67 C +ATOM 10200 ND1 HIS D 212 -8.790 23.339 5.144 1.00 9.61 N +ATOM 10201 CD2 HIS D 212 -10.960 23.121 5.265 1.00 13.52 C +ATOM 10202 CE1 HIS D 212 -9.241 24.325 5.903 1.00 13.19 C +ATOM 10203 NE2 HIS D 212 -10.554 24.214 5.994 1.00 3.12 N +ATOM 10204 H HIS D 212 -9.926 19.581 1.659 1.00 15.00 H +ATOM 10205 HD1 HIS D 212 -7.838 23.203 5.020 1.00 15.00 H +ATOM 10206 HE2 HIS D 212 -11.157 24.839 6.455 1.00 15.00 H +ATOM 10207 N PRO D 213 -10.877 23.208 1.144 1.00 60.11 N +ATOM 10208 CA PRO D 213 -10.545 24.156 0.079 1.00 62.84 C +ATOM 10209 C PRO D 213 -9.292 24.988 0.336 1.00 63.21 C +ATOM 10210 O PRO D 213 -8.288 24.830 -0.353 1.00 69.23 O +ATOM 10211 CB PRO D 213 -11.797 25.033 0.016 1.00 65.11 C +ATOM 10212 CG PRO D 213 -12.275 25.042 1.450 1.00 66.04 C +ATOM 10213 CD PRO D 213 -12.141 23.584 1.804 1.00 64.44 C +ATOM 10214 N ALA D 214 -9.344 25.821 1.373 1.00 61.36 N +ATOM 10215 CA ALA D 214 -8.251 26.718 1.739 1.00 59.68 C +ATOM 10216 C ALA D 214 -6.872 26.090 1.859 1.00 58.54 C +ATOM 10217 O ALA D 214 -5.866 26.802 1.869 1.00 63.23 O +ATOM 10218 CB ALA D 214 -8.592 27.447 3.019 1.00 61.17 C +ATOM 10219 H ALA D 214 -10.136 25.868 1.937 1.00 15.00 H +ATOM 10220 N SER D 215 -6.823 24.767 1.958 1.00 51.78 N +ATOM 10221 CA SER D 215 -5.554 24.065 2.078 1.00 45.03 C +ATOM 10222 C SER D 215 -5.369 22.956 1.046 1.00 41.87 C +ATOM 10223 O SER D 215 -4.375 22.229 1.089 1.00 37.97 O +ATOM 10224 CB SER D 215 -5.421 23.503 3.486 1.00 44.86 C +ATOM 10225 OG SER D 215 -6.603 22.825 3.870 1.00 47.40 O +ATOM 10226 H SER D 215 -7.625 24.222 1.929 1.00 15.00 H +ATOM 10227 HG SER D 215 -6.515 21.941 3.481 1.00 15.00 H +ATOM 10228 N SER D 216 -6.340 22.811 0.147 1.00 46.13 N +ATOM 10229 CA SER D 216 -6.295 21.795 -0.903 1.00 51.15 C +ATOM 10230 C SER D 216 -5.944 20.430 -0.318 1.00 45.83 C +ATOM 10231 O SER D 216 -4.939 19.819 -0.680 1.00 32.73 O +ATOM 10232 CB SER D 216 -5.256 22.187 -1.958 1.00 61.74 C +ATOM 10233 OG SER D 216 -5.414 23.541 -2.355 1.00 71.73 O +ATOM 10234 H SER D 216 -7.089 23.431 0.126 1.00 15.00 H +ATOM 10235 HG SER D 216 -4.688 23.773 -2.934 1.00 15.00 H +ATOM 10236 N THR D 217 -6.781 19.960 0.595 1.00 52.60 N +ATOM 10237 CA THR D 217 -6.537 18.684 1.239 1.00 62.30 C +ATOM 10238 C THR D 217 -7.701 17.730 1.038 1.00 65.87 C +ATOM 10239 O THR D 217 -8.815 17.993 1.487 1.00 64.61 O +ATOM 10240 CB THR D 217 -6.296 18.863 2.755 1.00 64.29 C +ATOM 10241 OG1 THR D 217 -6.052 20.247 3.044 1.00 57.33 O +ATOM 10242 CG2 THR D 217 -5.083 18.043 3.200 1.00 66.81 C +ATOM 10243 H THR D 217 -7.571 20.487 0.836 1.00 15.00 H +ATOM 10244 HG1 THR D 217 -5.269 20.471 2.506 1.00 15.00 H +ATOM 10245 N LYS D 218 -7.445 16.647 0.319 1.00 67.53 N +ATOM 10246 CA LYS D 218 -8.458 15.639 0.072 1.00 72.12 C +ATOM 10247 C LYS D 218 -7.911 14.378 0.720 1.00 72.83 C +ATOM 10248 O LYS D 218 -6.855 13.872 0.325 1.00 75.93 O +ATOM 10249 CB LYS D 218 -8.664 15.450 -1.434 1.00 82.97 C +ATOM 10250 CG LYS D 218 -9.816 14.521 -1.821 1.00 97.72 C +ATOM 10251 CD LYS D 218 -9.327 13.125 -2.227 1.00106.78 C +ATOM 10252 CE LYS D 218 -8.558 13.137 -3.550 1.00105.20 C +ATOM 10253 NZ LYS D 218 -8.045 11.783 -3.914 1.00102.87 N +ATOM 10254 H LYS D 218 -6.551 16.492 -0.047 1.00 15.00 H +ATOM 10255 HZ1 LYS D 218 -8.836 11.113 -3.988 1.00 15.00 H +ATOM 10256 HZ2 LYS D 218 -7.542 11.835 -4.822 1.00 15.00 H +ATOM 10257 HZ3 LYS D 218 -7.386 11.466 -3.175 1.00 15.00 H +ATOM 10258 N VAL D 219 -8.587 13.919 1.765 1.00 69.06 N +ATOM 10259 CA VAL D 219 -8.155 12.729 2.485 1.00 69.71 C +ATOM 10260 C VAL D 219 -9.289 11.714 2.536 1.00 68.22 C +ATOM 10261 O VAL D 219 -10.454 12.088 2.692 1.00 67.87 O +ATOM 10262 CB VAL D 219 -7.740 13.070 3.935 1.00 67.59 C +ATOM 10263 CG1 VAL D 219 -7.090 11.869 4.587 1.00 69.99 C +ATOM 10264 CG2 VAL D 219 -6.795 14.259 3.961 1.00 70.23 C +ATOM 10265 H VAL D 219 -9.410 14.366 2.052 1.00 15.00 H +ATOM 10266 N ASP D 220 -8.950 10.438 2.381 1.00 68.72 N +ATOM 10267 CA ASP D 220 -9.945 9.370 2.428 1.00 70.25 C +ATOM 10268 C ASP D 220 -9.490 8.327 3.438 1.00 69.88 C +ATOM 10269 O ASP D 220 -8.640 7.483 3.134 1.00 72.55 O +ATOM 10270 CB ASP D 220 -10.117 8.708 1.054 1.00 76.10 C +ATOM 10271 CG ASP D 220 -10.542 9.686 -0.032 1.00 80.96 C +ATOM 10272 OD1 ASP D 220 -11.356 10.596 0.246 1.00 75.78 O +ATOM 10273 OD2 ASP D 220 -10.058 9.529 -1.175 1.00 85.85 O +ATOM 10274 H ASP D 220 -8.015 10.189 2.241 1.00 15.00 H +ATOM 10275 N LYS D 221 -10.019 8.408 4.652 1.00 65.18 N +ATOM 10276 CA LYS D 221 -9.647 7.455 5.692 1.00 65.78 C +ATOM 10277 C LYS D 221 -10.571 6.252 5.637 1.00 65.48 C +ATOM 10278 O LYS D 221 -11.772 6.381 5.906 1.00 68.30 O +ATOM 10279 CB LYS D 221 -9.720 8.096 7.087 1.00 58.97 C +ATOM 10280 CG LYS D 221 -8.540 8.995 7.451 1.00 63.73 C +ATOM 10281 CD LYS D 221 -7.192 8.246 7.506 1.00 63.72 C +ATOM 10282 CE LYS D 221 -6.031 9.207 7.851 1.00 66.19 C +ATOM 10283 NZ LYS D 221 -4.675 8.567 7.919 1.00 61.26 N +ATOM 10284 H LYS D 221 -10.696 9.100 4.822 1.00 15.00 H +ATOM 10285 HZ1 LYS D 221 -4.688 7.821 8.644 1.00 15.00 H +ATOM 10286 HZ2 LYS D 221 -4.442 8.148 6.996 1.00 15.00 H +ATOM 10287 HZ3 LYS D 221 -3.968 9.285 8.170 1.00 15.00 H +ATOM 10288 N LYS D 222 -10.043 5.097 5.236 1.00 57.95 N +ATOM 10289 CA LYS D 222 -10.887 3.914 5.200 1.00 57.48 C +ATOM 10290 C LYS D 222 -11.108 3.519 6.643 1.00 57.82 C +ATOM 10291 O LYS D 222 -10.172 3.545 7.448 1.00 66.45 O +ATOM 10292 CB LYS D 222 -10.247 2.744 4.462 1.00 59.59 C +ATOM 10293 CG LYS D 222 -11.243 1.601 4.275 1.00 63.17 C +ATOM 10294 CD LYS D 222 -10.570 0.270 3.994 1.00 69.57 C +ATOM 10295 CE LYS D 222 -11.598 -0.834 3.744 1.00 74.89 C +ATOM 10296 NZ LYS D 222 -12.644 -0.932 4.810 1.00 81.94 N +ATOM 10297 H LYS D 222 -9.099 5.050 4.987 1.00 15.00 H +ATOM 10298 HZ1 LYS D 222 -12.188 -1.086 5.732 1.00 15.00 H +ATOM 10299 HZ2 LYS D 222 -13.190 -0.047 4.840 1.00 15.00 H +ATOM 10300 HZ3 LYS D 222 -13.286 -1.722 4.599 1.00 15.00 H +ATOM 10301 N ILE D 223 -12.349 3.205 6.980 1.00 54.82 N +ATOM 10302 CA ILE D 223 -12.680 2.813 8.340 1.00 53.45 C +ATOM 10303 C ILE D 223 -12.446 1.317 8.496 1.00 58.03 C +ATOM 10304 O ILE D 223 -13.208 0.504 7.969 1.00 57.50 O +ATOM 10305 CB ILE D 223 -14.135 3.239 8.706 1.00 44.49 C +ATOM 10306 CG1 ILE D 223 -14.159 4.734 9.039 1.00 43.81 C +ATOM 10307 CG2 ILE D 223 -14.678 2.427 9.856 1.00 44.15 C +ATOM 10308 CD1 ILE D 223 -15.468 5.230 9.638 1.00 44.12 C +ATOM 10309 H ILE D 223 -13.066 3.215 6.303 1.00 15.00 H +ATOM 10310 N GLU D 226 -11.351 0.973 9.184 1.00 66.07 N +ATOM 10311 CA GLU D 226 -10.961 -0.420 9.422 1.00 75.69 C +ATOM 10312 C GLU D 226 -11.317 -0.866 10.858 1.00 79.51 C +ATOM 10313 O GLU D 226 -11.186 -0.085 11.805 1.00 79.65 O +ATOM 10314 CB GLU D 226 -9.464 -0.607 9.099 1.00 77.30 C +ATOM 10315 CG GLU D 226 -9.089 -0.113 7.679 1.00 80.76 C +ATOM 10316 CD GLU D 226 -7.734 -0.599 7.167 1.00 78.21 C +ATOM 10317 OE1 GLU D 226 -7.619 -1.796 6.820 1.00 78.62 O +ATOM 10318 OE2 GLU D 226 -6.796 0.225 7.066 1.00 76.85 O +ATOM 10319 H GLU D 226 -10.782 1.684 9.546 1.00 15.00 H +ATOM 10320 N PRO D 227 -11.775 -2.128 11.030 1.00 82.01 N +ATOM 10321 CA PRO D 227 -12.177 -2.733 12.308 1.00 82.82 C +ATOM 10322 C PRO D 227 -11.151 -2.755 13.429 1.00 87.35 C +ATOM 10323 O PRO D 227 -9.995 -3.147 13.235 1.00 89.50 O +ATOM 10324 CB PRO D 227 -12.572 -4.150 11.901 1.00 79.71 C +ATOM 10325 CG PRO D 227 -11.655 -4.430 10.770 1.00 81.80 C +ATOM 10326 CD PRO D 227 -11.777 -3.154 9.971 1.00 83.15 C +ATOM 10327 N ARG D 228 -11.605 -2.363 14.616 1.00 91.37 N +ATOM 10328 CA ARG D 228 -10.758 -2.340 15.798 1.00100.39 C +ATOM 10329 C ARG D 228 -10.630 -3.783 16.279 1.00109.64 C +ATOM 10330 O ARG D 228 -11.490 -4.279 17.011 1.00116.88 O +ATOM 10331 CB ARG D 228 -11.392 -1.456 16.881 1.00 93.63 C +ATOM 10332 CG ARG D 228 -10.495 -1.212 18.085 1.00 89.01 C +ATOM 10333 CD ARG D 228 -11.110 -0.221 19.067 1.00 86.39 C +ATOM 10334 NE ARG D 228 -11.053 1.165 18.604 1.00 85.45 N +ATOM 10335 CZ ARG D 228 -12.088 2.001 18.635 1.00 87.33 C +ATOM 10336 NH1 ARG D 228 -13.253 1.582 19.101 1.00 93.46 N +ATOM 10337 NH2 ARG D 228 -11.960 3.257 18.219 1.00 79.18 N +ATOM 10338 H ARG D 228 -12.538 -2.087 14.707 1.00 15.00 H +ATOM 10339 HE ARG D 228 -10.204 1.497 18.249 1.00 15.00 H +ATOM 10340 HH11 ARG D 228 -13.357 0.643 19.427 1.00 15.00 H +ATOM 10341 HH12 ARG D 228 -14.037 2.200 19.118 1.00 15.00 H +ATOM 10342 HH21 ARG D 228 -11.076 3.584 17.885 1.00 15.00 H +ATOM 10343 HH22 ARG D 228 -12.746 3.875 18.249 1.00 15.00 H +ATOM 10344 N GLY D 229 -9.581 -4.462 15.819 1.00115.90 N +ATOM 10345 CA GLY D 229 -9.358 -5.854 16.184 1.00121.13 C +ATOM 10346 C GLY D 229 -8.842 -6.112 17.591 1.00123.86 C +ATOM 10347 O GLY D 229 -8.363 -5.193 18.261 1.00123.79 O +ATOM 10348 H GLY D 229 -8.954 -4.010 15.220 1.00 15.00 H +ATOM 10349 N PRO D 230 -8.956 -7.361 18.081 1.00126.05 N +ATOM 10350 CA PRO D 230 -8.498 -7.752 19.421 1.00125.58 C +ATOM 10351 C PRO D 230 -6.983 -7.569 19.601 1.00125.01 C +ATOM 10352 O PRO D 230 -6.184 -8.075 18.810 1.00122.27 O +ATOM 10353 CB PRO D 230 -8.908 -9.225 19.500 1.00126.77 C +ATOM 10354 CG PRO D 230 -10.147 -9.276 18.635 1.00127.00 C +ATOM 10355 CD PRO D 230 -9.705 -8.461 17.443 1.00125.88 C +ATOM 10356 N THR D 231 -6.609 -6.847 20.654 1.00127.55 N +ATOM 10357 CA THR D 231 -5.207 -6.550 20.970 1.00130.85 C +ATOM 10358 C THR D 231 -4.394 -7.775 21.434 1.00132.32 C +ATOM 10359 O THR D 231 -4.935 -8.685 22.065 1.00134.13 O +ATOM 10360 CB THR D 231 -5.122 -5.441 22.066 1.00129.06 C +ATOM 10361 OG1 THR D 231 -6.157 -4.470 21.851 1.00129.23 O +ATOM 10362 CG2 THR D 231 -3.774 -4.729 22.013 1.00126.31 C +ATOM 10363 H THR D 231 -7.299 -6.493 21.240 1.00 15.00 H +ATOM 10364 HG1 THR D 231 -7.020 -4.875 21.973 1.00 15.00 H +ATOM 10365 N ILE D 232 -3.096 -7.772 21.112 1.00130.91 N +ATOM 10366 CA ILE D 232 -2.148 -8.834 21.484 1.00127.10 C +ATOM 10367 C ILE D 232 -2.400 -10.234 20.901 1.00126.25 C +ATOM 10368 O ILE D 232 -3.074 -11.066 21.508 1.00125.25 O +ATOM 10369 CB ILE D 232 -1.972 -8.918 23.034 1.00126.20 C +ATOM 10370 CG1 ILE D 232 -1.418 -7.590 23.569 1.00125.93 C +ATOM 10371 CG2 ILE D 232 -1.035 -10.065 23.413 1.00126.70 C +ATOM 10372 CD1 ILE D 232 -1.279 -7.527 25.082 1.00119.83 C +ATOM 10373 H ILE D 232 -2.767 -7.017 20.591 1.00 15.00 H +ATOM 10374 N LYS D 235 -1.811 -10.489 19.733 1.00126.85 N +ATOM 10375 CA LYS D 235 -1.922 -11.776 19.036 1.00127.49 C +ATOM 10376 C LYS D 235 -0.657 -12.100 18.214 1.00129.97 C +ATOM 10377 O LYS D 235 -0.101 -13.191 18.353 1.00128.54 O +ATOM 10378 CB LYS D 235 -3.176 -11.834 18.143 1.00126.99 C +ATOM 10379 CG LYS D 235 -4.499 -12.009 18.882 1.00126.11 C +ATOM 10380 CD LYS D 235 -5.679 -11.959 17.917 1.00124.99 C +ATOM 10381 CE LYS D 235 -6.989 -12.319 18.608 1.00122.34 C +ATOM 10382 NZ LYS D 235 -8.144 -12.283 17.664 1.00122.09 N +ATOM 10383 H LYS D 235 -1.264 -9.790 19.335 1.00 15.00 H +ATOM 10384 HZ1 LYS D 235 -7.982 -12.944 16.876 1.00 15.00 H +ATOM 10385 HZ2 LYS D 235 -9.015 -12.546 18.167 1.00 15.00 H +ATOM 10386 HZ3 LYS D 235 -8.240 -11.318 17.288 1.00 15.00 H +ATOM 10387 N PRO D 236 -0.218 -11.184 17.312 1.00134.06 N +ATOM 10388 CA PRO D 236 0.987 -11.429 16.502 1.00135.55 C +ATOM 10389 C PRO D 236 2.248 -10.774 17.114 1.00137.62 C +ATOM 10390 O PRO D 236 2.452 -10.826 18.330 1.00139.99 O +ATOM 10391 CB PRO D 236 0.611 -10.794 15.166 1.00133.60 C +ATOM 10392 CG PRO D 236 -0.081 -9.545 15.611 1.00131.07 C +ATOM 10393 CD PRO D 236 -0.949 -10.009 16.787 1.00133.26 C +ATOM 10394 N CYS D 237 3.080 -10.154 16.274 1.00137.15 N +ATOM 10395 CA CYS D 237 4.309 -9.491 16.731 1.00137.19 C +ATOM 10396 C CYS D 237 4.527 -8.217 15.904 1.00137.51 C +ATOM 10397 O CYS D 237 4.177 -8.175 14.719 1.00134.66 O +ATOM 10398 CB CYS D 237 5.517 -10.437 16.567 1.00137.80 C +ATOM 10399 SG CYS D 237 7.042 -10.048 17.515 1.00136.70 S +ATOM 10400 H CYS D 237 2.904 -10.107 15.311 1.00 15.00 H +ATOM 10401 N PRO D 238 5.026 -7.138 16.545 1.00139.62 N +ATOM 10402 CA PRO D 238 5.305 -5.839 15.904 1.00140.46 C +ATOM 10403 C PRO D 238 6.414 -5.973 14.836 1.00141.95 C +ATOM 10404 O PRO D 238 6.853 -7.090 14.529 1.00142.46 O +ATOM 10405 CB PRO D 238 5.768 -4.979 17.090 1.00138.51 C +ATOM 10406 CG PRO D 238 5.013 -5.559 18.249 1.00138.34 C +ATOM 10407 CD PRO D 238 5.188 -7.038 18.009 1.00138.98 C +ATOM 10408 N PRO D 239 6.856 -4.849 14.225 1.00141.82 N +ATOM 10409 CA PRO D 239 7.915 -5.019 13.220 1.00140.17 C +ATOM 10410 C PRO D 239 9.174 -5.593 13.883 1.00140.02 C +ATOM 10411 O PRO D 239 9.670 -5.032 14.864 1.00140.53 O +ATOM 10412 CB PRO D 239 8.137 -3.588 12.709 1.00137.11 C +ATOM 10413 CG PRO D 239 7.731 -2.725 13.881 1.00134.39 C +ATOM 10414 CD PRO D 239 6.484 -3.427 14.363 1.00138.39 C +ATOM 10415 N CYS D 240 9.642 -6.740 13.389 1.00137.79 N +ATOM 10416 CA CYS D 240 10.834 -7.396 13.936 1.00135.93 C +ATOM 10417 C CYS D 240 12.061 -6.496 13.796 1.00134.69 C +ATOM 10418 O CYS D 240 12.900 -6.699 12.916 1.00132.96 O +ATOM 10419 CB CYS D 240 11.076 -8.737 13.232 1.00137.60 C +ATOM 10420 SG CYS D 240 12.576 -9.635 13.763 1.00143.61 S +ATOM 10421 H CYS D 240 9.157 -7.174 12.659 1.00 15.00 H +ATOM 10422 N LYS D 241 12.126 -5.483 14.660 1.00134.78 N +ATOM 10423 CA LYS D 241 13.206 -4.500 14.686 1.00135.41 C +ATOM 10424 C LYS D 241 13.732 -4.068 13.307 1.00137.49 C +ATOM 10425 O LYS D 241 14.944 -3.915 13.118 1.00140.11 O +ATOM 10426 CB LYS D 241 14.357 -4.983 15.582 1.00132.81 C +ATOM 10427 CG LYS D 241 14.063 -4.959 17.087 1.00126.71 C +ATOM 10428 CD LYS D 241 13.912 -3.538 17.622 1.00121.68 C +ATOM 10429 CE LYS D 241 13.921 -3.510 19.148 1.00120.78 C +ATOM 10430 NZ LYS D 241 12.796 -4.276 19.759 1.00122.17 N +ATOM 10431 H LYS D 241 11.422 -5.399 15.332 1.00 15.00 H +ATOM 10432 HZ1 LYS D 241 12.850 -5.270 19.462 1.00 15.00 H +ATOM 10433 HZ2 LYS D 241 12.856 -4.210 20.794 1.00 15.00 H +ATOM 10434 HZ3 LYS D 241 11.893 -3.867 19.441 1.00 15.00 H +ATOM 10435 N CYS D 242 12.828 -3.877 12.345 1.00138.51 N +ATOM 10436 CA CYS D 242 13.244 -3.444 11.014 1.00139.18 C +ATOM 10437 C CYS D 242 13.602 -1.958 11.116 1.00138.09 C +ATOM 10438 O CYS D 242 12.827 -1.156 11.658 1.00135.72 O +ATOM 10439 CB CYS D 242 12.152 -3.678 9.958 1.00142.36 C +ATOM 10440 SG CYS D 242 12.785 -3.519 8.245 1.00149.27 S +ATOM 10441 H CYS D 242 11.887 -4.008 12.534 1.00 15.00 H +ATOM 10442 N PRO D 243 14.818 -1.595 10.669 1.00136.93 N +ATOM 10443 CA PRO D 243 15.357 -0.228 10.683 1.00137.35 C +ATOM 10444 C PRO D 243 14.722 0.743 9.669 1.00138.25 C +ATOM 10445 O PRO D 243 13.561 0.587 9.268 1.00136.69 O +ATOM 10446 CB PRO D 243 16.839 -0.462 10.380 1.00135.23 C +ATOM 10447 CG PRO D 243 16.802 -1.641 9.441 1.00130.03 C +ATOM 10448 CD PRO D 243 15.815 -2.548 10.137 1.00132.63 C +ATOM 10449 N ALA D 244 15.482 1.779 9.311 1.00136.78 N +ATOM 10450 CA ALA D 244 15.049 2.773 8.334 1.00133.74 C +ATOM 10451 C ALA D 244 15.035 2.071 6.963 1.00132.91 C +ATOM 10452 O ALA D 244 15.733 1.068 6.767 1.00133.16 O +ATOM 10453 CB ALA D 244 16.019 3.966 8.330 1.00128.37 C +ATOM 10454 H ALA D 244 16.367 1.877 9.705 1.00 15.00 H +ATOM 10455 N PRO D 245 14.238 2.583 6.005 1.00132.02 N +ATOM 10456 CA PRO D 245 14.128 2.005 4.654 1.00128.16 C +ATOM 10457 C PRO D 245 15.442 1.598 3.967 1.00122.89 C +ATOM 10458 O PRO D 245 16.300 2.439 3.686 1.00123.56 O +ATOM 10459 CB PRO D 245 13.369 3.091 3.871 1.00131.55 C +ATOM 10460 CG PRO D 245 13.537 4.355 4.711 1.00133.11 C +ATOM 10461 CD PRO D 245 13.438 3.817 6.107 1.00132.09 C +ATOM 10462 N ASN D 246 15.564 0.306 3.662 1.00115.61 N +ATOM 10463 CA ASN D 246 16.758 -0.244 3.012 1.00107.13 C +ATOM 10464 C ASN D 246 16.555 -0.602 1.532 1.00107.57 C +ATOM 10465 O ASN D 246 17.286 -1.431 0.982 1.00107.18 O +ATOM 10466 CB ASN D 246 17.256 -1.482 3.775 1.00 92.76 C +ATOM 10467 CG ASN D 246 16.299 -2.656 3.670 0.00 72.45 C +ATOM 10468 OD1 ASN D 246 15.086 -2.497 3.807 0.00 61.69 O +ATOM 10469 ND2 ASN D 246 16.839 -3.839 3.412 0.00 61.80 N +ATOM 10470 H ASN D 246 14.834 -0.314 3.888 1.00 15.00 H +ATOM 10471 HD21 ASN D 246 16.223 -4.596 3.343 1.00 15.00 H +ATOM 10472 HD22 ASN D 246 17.807 -3.907 3.295 1.00 15.00 H +ATOM 10473 N LEU D 247 15.561 0.020 0.898 1.00108.39 N +ATOM 10474 CA LEU D 247 15.247 -0.219 -0.516 1.00107.46 C +ATOM 10475 C LEU D 247 14.178 0.751 -1.042 1.00112.45 C +ATOM 10476 O LEU D 247 13.546 1.471 -0.259 1.00117.02 O +ATOM 10477 CB LEU D 247 14.806 -1.680 -0.744 1.00 93.81 C +ATOM 10478 CG LEU D 247 13.677 -2.310 0.084 0.00 71.63 C +ATOM 10479 CD1 LEU D 247 12.319 -1.739 -0.298 0.00 60.36 C +ATOM 10480 CD2 LEU D 247 13.684 -3.812 -0.140 0.00 60.28 C +ATOM 10481 H LEU D 247 15.010 0.670 1.381 1.00 15.00 H +ATOM 10482 N LEU D 248 13.987 0.763 -2.363 1.00113.53 N +ATOM 10483 CA LEU D 248 13.001 1.629 -3.023 1.00109.65 C +ATOM 10484 C LEU D 248 12.954 1.314 -4.526 1.00115.21 C +ATOM 10485 O LEU D 248 13.601 0.372 -5.000 1.00114.22 O +ATOM 10486 CB LEU D 248 13.358 3.114 -2.816 1.00 90.45 C +ATOM 10487 CG LEU D 248 12.257 4.161 -3.023 0.00 71.32 C +ATOM 10488 CD1 LEU D 248 11.183 3.998 -1.957 0.00 60.28 C +ATOM 10489 CD2 LEU D 248 12.844 5.562 -2.976 0.00 60.17 C +ATOM 10490 H LEU D 248 14.515 0.167 -2.941 1.00 15.00 H +ATOM 10491 N GLY D 249 12.150 2.081 -5.259 1.00121.72 N +ATOM 10492 CA GLY D 249 12.042 1.905 -6.693 1.00129.44 C +ATOM 10493 C GLY D 249 12.680 3.111 -7.362 1.00134.87 C +ATOM 10494 O GLY D 249 12.142 4.219 -7.287 1.00135.33 O +ATOM 10495 H GLY D 249 11.612 2.793 -4.862 1.00 15.00 H +ATOM 10496 N GLY D 250 13.841 2.905 -7.977 1.00137.54 N +ATOM 10497 CA GLY D 250 14.550 3.982 -8.652 1.00140.47 C +ATOM 10498 C GLY D 250 15.704 3.401 -9.449 1.00143.14 C +ATOM 10499 O GLY D 250 15.476 2.485 -10.258 1.00144.38 O +ATOM 10500 H GLY D 250 14.236 1.996 -7.997 1.00 15.00 H +ATOM 10501 N PRO D 251 16.947 3.892 -9.262 1.00144.96 N +ATOM 10502 CA PRO D 251 18.063 3.329 -10.022 1.00145.17 C +ATOM 10503 C PRO D 251 18.198 1.835 -9.718 1.00144.96 C +ATOM 10504 O PRO D 251 17.846 1.382 -8.626 1.00147.39 O +ATOM 10505 CB PRO D 251 19.268 4.135 -9.516 1.00145.19 C +ATOM 10506 CG PRO D 251 18.868 4.536 -8.125 1.00145.36 C +ATOM 10507 CD PRO D 251 17.423 4.924 -8.318 1.00144.16 C +ATOM 10508 N SER D 252 18.651 1.071 -10.700 1.00142.12 N +ATOM 10509 CA SER D 252 18.818 -0.363 -10.538 1.00137.42 C +ATOM 10510 C SER D 252 20.286 -0.681 -10.774 1.00131.89 C +ATOM 10511 O SER D 252 20.965 0.025 -11.517 1.00129.00 O +ATOM 10512 CB SER D 252 17.936 -1.122 -11.539 1.00139.89 C +ATOM 10513 OG SER D 252 16.556 -0.857 -11.333 1.00140.98 O +ATOM 10514 H SER D 252 18.911 1.501 -11.531 1.00 15.00 H +ATOM 10515 HG SER D 252 16.402 0.092 -11.204 1.00 15.00 H +ATOM 10516 N VAL D 253 20.772 -1.725 -10.117 1.00126.90 N +ATOM 10517 CA VAL D 253 22.164 -2.149 -10.232 1.00119.83 C +ATOM 10518 C VAL D 253 22.239 -3.598 -10.712 1.00114.15 C +ATOM 10519 O VAL D 253 21.434 -4.437 -10.301 1.00112.01 O +ATOM 10520 CB VAL D 253 22.901 -2.019 -8.869 1.00119.14 C +ATOM 10521 CG1 VAL D 253 22.249 -2.917 -7.816 1.00118.60 C +ATOM 10522 CG2 VAL D 253 24.373 -2.352 -9.027 1.00118.73 C +ATOM 10523 H VAL D 253 20.183 -2.282 -9.569 1.00 15.00 H +ATOM 10524 N PHE D 254 23.192 -3.874 -11.595 1.00106.93 N +ATOM 10525 CA PHE D 254 23.397 -5.209 -12.153 1.00 98.98 C +ATOM 10526 C PHE D 254 24.905 -5.446 -12.178 1.00 88.82 C +ATOM 10527 O PHE D 254 25.675 -4.507 -12.385 1.00 93.05 O +ATOM 10528 CB PHE D 254 22.859 -5.281 -13.591 1.00107.64 C +ATOM 10529 CG PHE D 254 21.370 -5.037 -13.720 1.00117.09 C +ATOM 10530 CD1 PHE D 254 20.858 -3.741 -13.756 1.00118.76 C +ATOM 10531 CD2 PHE D 254 20.483 -6.106 -13.845 1.00120.18 C +ATOM 10532 CE1 PHE D 254 19.489 -3.516 -13.917 1.00122.14 C +ATOM 10533 CE2 PHE D 254 19.111 -5.888 -14.007 1.00120.21 C +ATOM 10534 CZ PHE D 254 18.615 -4.592 -14.043 1.00119.66 C +ATOM 10535 H PHE D 254 23.802 -3.159 -11.887 1.00 15.00 H +ATOM 10536 N ILE D 255 25.334 -6.687 -11.993 1.00 73.18 N +ATOM 10537 CA ILE D 255 26.759 -6.989 -11.992 1.00 56.57 C +ATOM 10538 C ILE D 255 27.030 -8.044 -13.056 1.00 57.57 C +ATOM 10539 O ILE D 255 26.181 -8.901 -13.315 1.00 55.54 O +ATOM 10540 CB ILE D 255 27.223 -7.467 -10.590 1.00 44.04 C +ATOM 10541 CG1 ILE D 255 28.734 -7.325 -10.448 1.00 37.62 C +ATOM 10542 CG2 ILE D 255 26.794 -8.892 -10.333 1.00 36.93 C +ATOM 10543 CD1 ILE D 255 29.171 -5.924 -10.174 1.00 41.41 C +ATOM 10544 H ILE D 255 24.706 -7.428 -11.894 1.00 15.00 H +ATOM 10545 N PHE D 256 28.199 -7.972 -13.682 1.00 61.25 N +ATOM 10546 CA PHE D 256 28.558 -8.908 -14.741 1.00 65.20 C +ATOM 10547 C PHE D 256 29.939 -9.522 -14.612 1.00 57.35 C +ATOM 10548 O PHE D 256 30.931 -8.840 -14.346 1.00 61.31 O +ATOM 10549 CB PHE D 256 28.457 -8.234 -16.113 1.00 77.18 C +ATOM 10550 CG PHE D 256 27.062 -7.865 -16.507 1.00 91.30 C +ATOM 10551 CD1 PHE D 256 26.016 -8.768 -16.335 1.00 95.76 C +ATOM 10552 CD2 PHE D 256 26.788 -6.613 -17.045 1.00 98.16 C +ATOM 10553 CE1 PHE D 256 24.715 -8.428 -16.692 1.00100.59 C +ATOM 10554 CE2 PHE D 256 25.489 -6.262 -17.407 1.00101.40 C +ATOM 10555 CZ PHE D 256 24.449 -7.172 -17.230 1.00101.89 C +ATOM 10556 H PHE D 256 28.857 -7.297 -13.420 1.00 15.00 H +ATOM 10557 N PRO D 257 30.022 -10.821 -14.869 1.00 45.39 N +ATOM 10558 CA PRO D 257 31.263 -11.579 -14.799 1.00 42.65 C +ATOM 10559 C PRO D 257 32.101 -11.353 -16.050 1.00 35.32 C +ATOM 10560 O PRO D 257 31.575 -11.076 -17.124 1.00 36.07 O +ATOM 10561 CB PRO D 257 30.770 -13.032 -14.773 1.00 47.26 C +ATOM 10562 CG PRO D 257 29.296 -12.927 -14.418 1.00 43.68 C +ATOM 10563 CD PRO D 257 28.888 -11.710 -15.152 1.00 41.90 C +ATOM 10564 N PRO D 258 33.422 -11.417 -15.912 1.00 30.00 N +ATOM 10565 CA PRO D 258 34.263 -11.227 -17.088 1.00 28.96 C +ATOM 10566 C PRO D 258 34.087 -12.461 -17.962 1.00 31.22 C +ATOM 10567 O PRO D 258 33.656 -13.524 -17.503 1.00 31.55 O +ATOM 10568 CB PRO D 258 35.664 -11.165 -16.493 1.00 29.29 C +ATOM 10569 CG PRO D 258 35.549 -11.993 -15.261 1.00 29.14 C +ATOM 10570 CD PRO D 258 34.238 -11.540 -14.696 1.00 29.56 C +ATOM 10571 N LYS D 259 34.426 -12.337 -19.227 1.00 31.88 N +ATOM 10572 CA LYS D 259 34.255 -13.466 -20.102 1.00 41.66 C +ATOM 10573 C LYS D 259 35.341 -14.504 -19.914 1.00 37.91 C +ATOM 10574 O LYS D 259 36.521 -14.179 -19.773 1.00 39.97 O +ATOM 10575 CB LYS D 259 34.145 -12.993 -21.554 1.00 60.87 C +ATOM 10576 CG LYS D 259 32.701 -12.663 -21.974 1.00 78.24 C +ATOM 10577 CD LYS D 259 31.971 -11.803 -20.930 1.00 85.13 C +ATOM 10578 CE LYS D 259 30.451 -11.926 -21.040 1.00 86.71 C +ATOM 10579 NZ LYS D 259 29.740 -11.284 -19.892 1.00 78.72 N +ATOM 10580 H LYS D 259 34.792 -11.493 -19.558 1.00 15.00 H +ATOM 10581 HZ1 LYS D 259 29.979 -10.272 -19.852 1.00 15.00 H +ATOM 10582 HZ2 LYS D 259 28.712 -11.393 -20.012 1.00 15.00 H +ATOM 10583 HZ3 LYS D 259 30.037 -11.740 -19.005 1.00 15.00 H +ATOM 10584 N ILE D 260 34.916 -15.756 -19.866 1.00 26.37 N +ATOM 10585 CA ILE D 260 35.814 -16.882 -19.703 1.00 26.18 C +ATOM 10586 C ILE D 260 37.177 -16.712 -20.348 1.00 33.18 C +ATOM 10587 O ILE D 260 38.192 -17.065 -19.755 1.00 44.60 O +ATOM 10588 CB ILE D 260 35.219 -18.179 -20.240 1.00 22.73 C +ATOM 10589 CG1 ILE D 260 34.011 -17.912 -21.156 1.00 41.14 C +ATOM 10590 CG2 ILE D 260 34.934 -19.104 -19.089 1.00 33.36 C +ATOM 10591 CD1 ILE D 260 32.687 -17.555 -20.453 1.00 39.58 C +ATOM 10592 H ILE D 260 33.951 -15.829 -19.853 1.00 15.00 H +ATOM 10593 N LYS D 261 37.216 -16.158 -21.550 1.00 31.38 N +ATOM 10594 CA LYS D 261 38.491 -15.983 -22.220 1.00 27.70 C +ATOM 10595 C LYS D 261 39.386 -14.939 -21.533 1.00 35.19 C +ATOM 10596 O LYS D 261 40.559 -15.210 -21.272 1.00 36.16 O +ATOM 10597 CB LYS D 261 38.279 -15.646 -23.703 1.00 26.67 C +ATOM 10598 CG LYS D 261 39.574 -15.585 -24.526 1.00 27.10 C +ATOM 10599 CD LYS D 261 39.310 -15.447 -26.023 1.00 22.93 C +ATOM 10600 CE LYS D 261 40.605 -15.295 -26.809 1.00 29.53 C +ATOM 10601 NZ LYS D 261 40.381 -15.197 -28.283 1.00 40.28 N +ATOM 10602 H LYS D 261 36.390 -15.874 -21.981 1.00 15.00 H +ATOM 10603 HZ1 LYS D 261 39.761 -14.382 -28.465 1.00 15.00 H +ATOM 10604 HZ2 LYS D 261 41.289 -15.058 -28.771 1.00 15.00 H +ATOM 10605 HZ3 LYS D 261 39.923 -16.063 -28.638 1.00 15.00 H +ATOM 10606 N ASP D 262 38.830 -13.778 -21.186 1.00 33.39 N +ATOM 10607 CA ASP D 262 39.622 -12.717 -20.555 1.00 31.46 C +ATOM 10608 C ASP D 262 40.390 -13.195 -19.315 1.00 32.91 C +ATOM 10609 O ASP D 262 41.583 -12.934 -19.174 1.00 35.80 O +ATOM 10610 CB ASP D 262 38.750 -11.497 -20.196 1.00 45.44 C +ATOM 10611 CG ASP D 262 38.259 -10.713 -21.425 1.00 45.38 C +ATOM 10612 OD1 ASP D 262 39.043 -10.487 -22.368 1.00 39.27 O +ATOM 10613 OD2 ASP D 262 37.083 -10.285 -21.423 1.00 44.92 O +ATOM 10614 H ASP D 262 37.872 -13.649 -21.319 1.00 15.00 H +ATOM 10615 N VAL D 263 39.705 -13.904 -18.425 1.00 33.61 N +ATOM 10616 CA VAL D 263 40.342 -14.405 -17.211 1.00 29.91 C +ATOM 10617 C VAL D 263 41.310 -15.556 -17.461 1.00 26.76 C +ATOM 10618 O VAL D 263 42.476 -15.472 -17.071 1.00 37.53 O +ATOM 10619 CB VAL D 263 39.315 -14.823 -16.127 1.00 30.88 C +ATOM 10620 CG1 VAL D 263 38.754 -13.609 -15.436 1.00 30.10 C +ATOM 10621 CG2 VAL D 263 38.189 -15.623 -16.736 1.00 37.52 C +ATOM 10622 H VAL D 263 38.768 -14.103 -18.620 1.00 15.00 H +ATOM 10623 N LEU D 264 40.847 -16.615 -18.123 1.00 19.58 N +ATOM 10624 CA LEU D 264 41.700 -17.774 -18.391 1.00 18.29 C +ATOM 10625 C LEU D 264 42.945 -17.453 -19.191 1.00 23.61 C +ATOM 10626 O LEU D 264 43.876 -18.254 -19.224 1.00 41.41 O +ATOM 10627 CB LEU D 264 40.940 -18.876 -19.111 1.00 10.37 C +ATOM 10628 CG LEU D 264 39.767 -19.573 -18.443 1.00 18.23 C +ATOM 10629 CD1 LEU D 264 39.344 -20.758 -19.316 1.00 17.39 C +ATOM 10630 CD2 LEU D 264 40.174 -20.050 -17.062 1.00 33.97 C +ATOM 10631 H LEU D 264 39.931 -16.611 -18.479 1.00 15.00 H +ATOM 10632 N MET D 265 42.963 -16.316 -19.874 1.00 27.40 N +ATOM 10633 CA MET D 265 44.141 -15.957 -20.652 1.00 28.49 C +ATOM 10634 C MET D 265 44.929 -14.897 -19.934 1.00 28.33 C +ATOM 10635 O MET D 265 44.402 -13.847 -19.572 1.00 24.56 O +ATOM 10636 CB MET D 265 43.767 -15.445 -22.035 1.00 36.32 C +ATOM 10637 CG MET D 265 43.154 -16.483 -22.917 1.00 34.57 C +ATOM 10638 SD MET D 265 44.329 -17.741 -23.274 1.00 36.68 S +ATOM 10639 CE MET D 265 44.037 -17.957 -25.008 1.00 32.13 C +ATOM 10640 H MET D 265 42.198 -15.700 -19.859 1.00 15.00 H +ATOM 10641 N ILE D 266 46.208 -15.180 -19.752 1.00 30.91 N +ATOM 10642 CA ILE D 266 47.116 -14.264 -19.085 1.00 36.49 C +ATOM 10643 C ILE D 266 47.046 -12.893 -19.751 1.00 38.45 C +ATOM 10644 O ILE D 266 46.715 -11.895 -19.112 1.00 39.18 O +ATOM 10645 CB ILE D 266 48.567 -14.773 -19.193 1.00 37.09 C +ATOM 10646 CG1 ILE D 266 48.633 -16.256 -18.825 1.00 45.28 C +ATOM 10647 CG2 ILE D 266 49.474 -13.969 -18.291 1.00 25.18 C +ATOM 10648 CD1 ILE D 266 49.931 -16.925 -19.217 1.00 50.28 C +ATOM 10649 H ILE D 266 46.504 -16.056 -20.041 1.00 15.00 H +ATOM 10650 N SER D 267 47.304 -12.881 -21.055 1.00 33.59 N +ATOM 10651 CA SER D 267 47.332 -11.661 -21.846 1.00 37.44 C +ATOM 10652 C SER D 267 46.099 -10.761 -21.787 1.00 35.58 C +ATOM 10653 O SER D 267 46.205 -9.567 -21.513 1.00 43.02 O +ATOM 10654 CB SER D 267 47.655 -12.020 -23.290 1.00 39.72 C +ATOM 10655 OG SER D 267 48.736 -12.935 -23.335 1.00 39.09 O +ATOM 10656 H SER D 267 47.531 -13.703 -21.523 1.00 15.00 H +ATOM 10657 HG SER D 267 49.545 -12.484 -23.056 1.00 15.00 H +ATOM 10658 N LEU D 268 44.940 -11.335 -22.063 1.00 30.52 N +ATOM 10659 CA LEU D 268 43.687 -10.594 -22.064 1.00 32.19 C +ATOM 10660 C LEU D 268 43.449 -9.924 -20.717 1.00 31.50 C +ATOM 10661 O LEU D 268 43.971 -10.383 -19.704 1.00 30.12 O +ATOM 10662 CB LEU D 268 42.542 -11.549 -22.390 1.00 36.49 C +ATOM 10663 CG LEU D 268 42.401 -12.080 -23.824 1.00 43.23 C +ATOM 10664 CD1 LEU D 268 41.841 -10.975 -24.708 1.00 49.87 C +ATOM 10665 CD2 LEU D 268 43.720 -12.618 -24.382 1.00 39.62 C +ATOM 10666 H LEU D 268 44.911 -12.296 -22.197 1.00 15.00 H +ATOM 10667 N SER D 269 42.644 -8.863 -20.697 1.00 30.87 N +ATOM 10668 CA SER D 269 42.378 -8.154 -19.450 1.00 35.49 C +ATOM 10669 C SER D 269 40.965 -8.317 -18.952 1.00 33.40 C +ATOM 10670 O SER D 269 40.052 -7.704 -19.477 1.00 41.30 O +ATOM 10671 CB SER D 269 42.693 -6.681 -19.618 1.00 40.96 C +ATOM 10672 OG SER D 269 43.994 -6.543 -20.159 1.00 55.33 O +ATOM 10673 H SER D 269 42.225 -8.525 -21.512 1.00 15.00 H +ATOM 10674 HG SER D 269 44.631 -7.100 -19.698 1.00 15.00 H +ATOM 10675 N PRO D 270 40.776 -9.132 -17.904 1.00 39.13 N +ATOM 10676 CA PRO D 270 39.498 -9.447 -17.253 1.00 38.56 C +ATOM 10677 C PRO D 270 38.918 -8.199 -16.654 1.00 33.66 C +ATOM 10678 O PRO D 270 39.651 -7.359 -16.153 1.00 45.08 O +ATOM 10679 CB PRO D 270 39.905 -10.400 -16.124 1.00 37.40 C +ATOM 10680 CG PRO D 270 41.210 -10.954 -16.572 1.00 46.00 C +ATOM 10681 CD PRO D 270 41.884 -9.756 -17.168 1.00 42.34 C +ATOM 10682 N ILE D 271 37.606 -8.079 -16.667 1.00 29.24 N +ATOM 10683 CA ILE D 271 36.988 -6.897 -16.100 1.00 33.60 C +ATOM 10684 C ILE D 271 35.681 -7.309 -15.464 1.00 34.67 C +ATOM 10685 O ILE D 271 34.993 -8.187 -15.975 1.00 37.26 O +ATOM 10686 CB ILE D 271 36.565 -5.890 -17.194 1.00 37.10 C +ATOM 10687 CG1 ILE D 271 37.506 -5.916 -18.408 1.00 43.26 C +ATOM 10688 CG2 ILE D 271 36.437 -4.520 -16.597 1.00 46.38 C +ATOM 10689 CD1 ILE D 271 38.847 -5.255 -18.209 1.00 51.83 C +ATOM 10690 H ILE D 271 37.026 -8.758 -17.065 1.00 15.00 H +ATOM 10691 N VAL D 272 35.338 -6.689 -14.346 1.00 37.40 N +ATOM 10692 CA VAL D 272 34.061 -6.960 -13.709 1.00 42.34 C +ATOM 10693 C VAL D 272 33.260 -5.676 -13.827 1.00 48.66 C +ATOM 10694 O VAL D 272 33.693 -4.611 -13.365 1.00 51.89 O +ATOM 10695 CB VAL D 272 34.194 -7.345 -12.244 1.00 35.56 C +ATOM 10696 CG1 VAL D 272 32.821 -7.298 -11.575 1.00 29.36 C +ATOM 10697 CG2 VAL D 272 34.759 -8.736 -12.148 1.00 32.33 C +ATOM 10698 H VAL D 272 35.934 -6.036 -13.929 1.00 15.00 H +ATOM 10699 N THR D 273 32.104 -5.775 -14.469 1.00 46.95 N +ATOM 10700 CA THR D 273 31.262 -4.615 -14.679 1.00 49.25 C +ATOM 10701 C THR D 273 30.078 -4.531 -13.751 1.00 51.54 C +ATOM 10702 O THR D 273 29.507 -5.538 -13.333 1.00 54.92 O +ATOM 10703 CB THR D 273 30.798 -4.513 -16.151 1.00 47.86 C +ATOM 10704 OG1 THR D 273 31.904 -4.085 -16.958 1.00 63.19 O +ATOM 10705 CG2 THR D 273 29.651 -3.524 -16.310 1.00 42.27 C +ATOM 10706 H THR D 273 31.804 -6.650 -14.787 1.00 15.00 H +ATOM 10707 HG1 THR D 273 31.615 -3.783 -17.830 1.00 15.00 H +ATOM 10708 N CYS D 274 29.737 -3.303 -13.411 1.00 56.64 N +ATOM 10709 CA CYS D 274 28.612 -3.029 -12.554 1.00 63.57 C +ATOM 10710 C CYS D 274 27.913 -1.907 -13.293 1.00 65.35 C +ATOM 10711 O CYS D 274 28.530 -0.888 -13.607 1.00 61.87 O +ATOM 10712 CB CYS D 274 29.106 -2.557 -11.199 1.00 65.76 C +ATOM 10713 SG CYS D 274 27.885 -2.725 -9.874 1.00 78.57 S +ATOM 10714 H CYS D 274 30.253 -2.536 -13.741 1.00 15.00 H +ATOM 10715 N VAL D 275 26.662 -2.136 -13.669 1.00 70.23 N +ATOM 10716 CA VAL D 275 25.907 -1.133 -14.401 1.00 80.72 C +ATOM 10717 C VAL D 275 24.710 -0.665 -13.592 1.00 89.20 C +ATOM 10718 O VAL D 275 24.001 -1.479 -12.994 1.00 93.25 O +ATOM 10719 CB VAL D 275 25.437 -1.659 -15.779 1.00 74.85 C +ATOM 10720 CG1 VAL D 275 26.621 -1.851 -16.703 1.00 72.75 C +ATOM 10721 CG2 VAL D 275 24.696 -2.963 -15.616 1.00 75.66 C +ATOM 10722 H VAL D 275 26.215 -2.964 -13.399 1.00 15.00 H +ATOM 10723 N VAL D 276 24.519 0.650 -13.532 1.00 95.92 N +ATOM 10724 CA VAL D 276 23.398 1.221 -12.793 1.00 96.51 C +ATOM 10725 C VAL D 276 22.464 1.896 -13.779 1.00 98.33 C +ATOM 10726 O VAL D 276 22.865 2.797 -14.525 1.00 95.94 O +ATOM 10727 CB VAL D 276 23.848 2.242 -11.721 1.00 94.57 C +ATOM 10728 CG1 VAL D 276 22.661 2.666 -10.872 1.00 91.87 C +ATOM 10729 CG2 VAL D 276 24.942 1.651 -10.845 1.00 95.38 C +ATOM 10730 H VAL D 276 25.133 1.251 -14.004 1.00 15.00 H +ATOM 10731 N VAL D 277 21.222 1.432 -13.803 1.00102.40 N +ATOM 10732 CA VAL D 277 20.234 1.981 -14.712 1.00109.08 C +ATOM 10733 C VAL D 277 19.158 2.822 -14.026 1.00119.51 C +ATOM 10734 O VAL D 277 19.077 2.873 -12.793 1.00120.14 O +ATOM 10735 CB VAL D 277 19.568 0.860 -15.550 1.00102.54 C +ATOM 10736 CG1 VAL D 277 20.607 0.173 -16.414 1.00 94.92 C +ATOM 10737 CG2 VAL D 277 18.878 -0.150 -14.646 1.00 89.75 C +ATOM 10738 H VAL D 277 20.981 0.714 -13.196 1.00 15.00 H +ATOM 10739 N ASP D 278 18.347 3.472 -14.865 1.00127.14 N +ATOM 10740 CA ASP D 278 17.221 4.330 -14.477 1.00131.83 C +ATOM 10741 C ASP D 278 17.487 5.543 -13.569 1.00136.69 C +ATOM 10742 O ASP D 278 17.188 5.517 -12.372 1.00136.91 O +ATOM 10743 CB ASP D 278 16.051 3.485 -13.939 1.00127.56 C +ATOM 10744 CG ASP D 278 15.420 2.592 -15.011 1.00124.33 C +ATOM 10745 OD1 ASP D 278 15.358 3.002 -16.193 1.00120.09 O +ATOM 10746 OD2 ASP D 278 14.977 1.476 -14.665 1.00122.87 O +ATOM 10747 H ASP D 278 18.547 3.397 -15.818 1.00 15.00 H +ATOM 10748 N VAL D 279 18.029 6.608 -14.162 1.00141.24 N +ATOM 10749 CA VAL D 279 18.317 7.867 -13.460 1.00145.45 C +ATOM 10750 C VAL D 279 18.118 9.044 -14.428 1.00149.47 C +ATOM 10751 O VAL D 279 18.259 8.881 -15.643 1.00147.72 O +ATOM 10752 CB VAL D 279 19.764 7.919 -12.860 1.00143.79 C +ATOM 10753 CG1 VAL D 279 19.883 6.999 -11.653 1.00140.18 C +ATOM 10754 CG2 VAL D 279 20.803 7.562 -13.907 1.00139.34 C +ATOM 10755 H VAL D 279 18.267 6.552 -15.112 1.00 15.00 H +ATOM 10756 N SER D 280 17.779 10.216 -13.890 1.00154.26 N +ATOM 10757 CA SER D 280 17.548 11.412 -14.705 1.00156.77 C +ATOM 10758 C SER D 280 18.412 12.605 -14.257 1.00157.53 C +ATOM 10759 O SER D 280 19.021 12.570 -13.187 1.00158.32 O +ATOM 10760 CB SER D 280 16.058 11.780 -14.678 1.00157.72 C +ATOM 10761 OG SER D 280 15.770 12.853 -15.559 1.00159.60 O +ATOM 10762 H SER D 280 17.719 10.298 -12.917 1.00 15.00 H +ATOM 10763 HG SER D 280 14.815 12.907 -15.689 1.00 15.00 H +ATOM 10764 N GLU D 281 18.396 13.676 -15.051 1.00156.95 N +ATOM 10765 CA GLU D 281 19.181 14.895 -14.802 1.00156.45 C +ATOM 10766 C GLU D 281 19.175 15.510 -13.395 1.00158.68 C +ATOM 10767 O GLU D 281 20.104 16.236 -13.040 1.00157.84 O +ATOM 10768 CB GLU D 281 18.822 15.975 -15.833 1.00152.58 C +ATOM 10769 CG GLU D 281 19.398 15.745 -17.231 1.00148.07 C +ATOM 10770 CD GLU D 281 18.867 14.490 -17.905 1.00145.53 C +ATOM 10771 OE1 GLU D 281 17.781 14.551 -18.522 1.00145.70 O +ATOM 10772 OE2 GLU D 281 19.541 13.442 -17.823 1.00140.62 O +ATOM 10773 H GLU D 281 17.803 13.629 -15.833 1.00 15.00 H +ATOM 10774 N ASP D 282 18.129 15.250 -12.611 1.00161.82 N +ATOM 10775 CA ASP D 282 18.029 15.783 -11.246 1.00163.19 C +ATOM 10776 C ASP D 282 19.026 15.102 -10.305 1.00165.87 C +ATOM 10777 O ASP D 282 19.454 15.682 -9.304 1.00164.67 O +ATOM 10778 CB ASP D 282 16.601 15.610 -10.709 1.00160.67 C +ATOM 10779 CG ASP D 282 16.453 16.068 -9.263 1.00156.64 C +ATOM 10780 OD1 ASP D 282 16.748 17.249 -8.974 1.00154.49 O +ATOM 10781 OD2 ASP D 282 16.041 15.244 -8.417 1.00154.10 O +ATOM 10782 H ASP D 282 17.420 14.682 -12.960 1.00 15.00 H +ATOM 10783 N ASP D 283 19.366 13.857 -10.622 1.00169.94 N +ATOM 10784 CA ASP D 283 20.307 13.070 -9.831 1.00173.60 C +ATOM 10785 C ASP D 283 21.458 12.697 -10.771 1.00176.11 C +ATOM 10786 O ASP D 283 21.416 11.664 -11.438 1.00175.65 O +ATOM 10787 CB ASP D 283 19.616 11.806 -9.299 1.00174.31 C +ATOM 10788 CG ASP D 283 18.252 12.094 -8.678 1.00175.14 C +ATOM 10789 OD1 ASP D 283 18.171 12.953 -7.772 1.00176.21 O +ATOM 10790 OD2 ASP D 283 17.260 11.463 -9.102 1.00173.66 O +ATOM 10791 H ASP D 283 19.016 13.443 -11.437 1.00 15.00 H +ATOM 10792 N PRO D 284 22.489 13.558 -10.851 1.00179.01 N +ATOM 10793 CA PRO D 284 23.670 13.372 -11.703 1.00179.81 C +ATOM 10794 C PRO D 284 24.632 12.263 -11.264 1.00179.04 C +ATOM 10795 O PRO D 284 24.270 11.088 -11.241 1.00179.43 O +ATOM 10796 CB PRO D 284 24.325 14.752 -11.658 1.00182.18 C +ATOM 10797 CG PRO D 284 24.049 15.189 -10.253 1.00181.89 C +ATOM 10798 CD PRO D 284 22.591 14.815 -10.085 1.00181.00 C +ATOM 10799 N ASP D 285 25.871 12.643 -10.960 1.00178.24 N +ATOM 10800 CA ASP D 285 26.896 11.703 -10.527 1.00177.43 C +ATOM 10801 C ASP D 285 26.406 10.787 -9.408 1.00173.23 C +ATOM 10802 O ASP D 285 25.648 11.206 -8.528 1.00173.37 O +ATOM 10803 CB ASP D 285 28.156 12.460 -10.084 1.00182.57 C +ATOM 10804 CG ASP D 285 27.855 13.582 -9.098 1.00184.52 C +ATOM 10805 OD1 ASP D 285 27.767 13.308 -7.881 1.00185.93 O +ATOM 10806 OD2 ASP D 285 27.711 14.740 -9.544 1.00185.78 O +ATOM 10807 H ASP D 285 26.159 13.569 -11.002 1.00 15.00 H +ATOM 10808 N VAL D 286 26.839 9.533 -9.458 1.00166.90 N +ATOM 10809 CA VAL D 286 26.452 8.545 -8.462 1.00159.51 C +ATOM 10810 C VAL D 286 27.710 7.931 -7.843 1.00156.26 C +ATOM 10811 O VAL D 286 28.730 7.777 -8.518 1.00157.32 O +ATOM 10812 CB VAL D 286 25.587 7.433 -9.096 1.00158.87 C +ATOM 10813 CG1 VAL D 286 24.983 6.561 -8.016 1.00159.59 C +ATOM 10814 CG2 VAL D 286 24.490 8.038 -9.964 1.00154.15 C +ATOM 10815 H VAL D 286 27.456 9.242 -10.158 1.00 15.00 H +ATOM 10816 N GLN D 287 27.633 7.613 -6.555 1.00151.30 N +ATOM 10817 CA GLN D 287 28.745 7.026 -5.807 1.00147.80 C +ATOM 10818 C GLN D 287 29.015 5.577 -6.227 1.00141.44 C +ATOM 10819 O GLN D 287 28.081 4.797 -6.428 1.00142.44 O +ATOM 10820 CB GLN D 287 28.426 7.069 -4.306 1.00152.88 C +ATOM 10821 CG GLN D 287 29.560 6.648 -3.387 1.00158.88 C +ATOM 10822 CD GLN D 287 30.627 7.711 -3.274 1.00163.83 C +ATOM 10823 OE1 GLN D 287 31.668 7.636 -3.924 1.00165.87 O +ATOM 10824 NE2 GLN D 287 30.368 8.720 -2.454 1.00165.79 N +ATOM 10825 H GLN D 287 26.789 7.764 -6.090 1.00 15.00 H +ATOM 10826 HE21 GLN D 287 31.047 9.417 -2.373 1.00 15.00 H +ATOM 10827 HE22 GLN D 287 29.514 8.721 -1.971 1.00 15.00 H +ATOM 10828 N ILE D 288 30.292 5.219 -6.343 1.00130.92 N +ATOM 10829 CA ILE D 288 30.682 3.862 -6.716 1.00117.52 C +ATOM 10830 C ILE D 288 31.702 3.358 -5.706 1.00111.47 C +ATOM 10831 O ILE D 288 32.523 4.126 -5.197 1.00108.89 O +ATOM 10832 CB ILE D 288 31.289 3.789 -8.156 1.00114.94 C +ATOM 10833 CG1 ILE D 288 31.481 2.327 -8.574 1.00110.41 C +ATOM 10834 CG2 ILE D 288 32.634 4.518 -8.226 1.00109.15 C +ATOM 10835 CD1 ILE D 288 30.200 1.506 -8.567 1.00108.45 C +ATOM 10836 H ILE D 288 31.004 5.862 -6.137 1.00 15.00 H +ATOM 10837 N SER D 289 31.635 2.073 -5.394 1.00105.16 N +ATOM 10838 CA SER D 289 32.566 1.499 -4.445 1.00101.39 C +ATOM 10839 C SER D 289 32.797 0.036 -4.782 1.00 98.98 C +ATOM 10840 O SER D 289 31.845 -0.723 -4.952 1.00 98.25 O +ATOM 10841 CB SER D 289 32.014 1.652 -3.027 1.00103.48 C +ATOM 10842 OG SER D 289 31.632 2.997 -2.774 1.00103.10 O +ATOM 10843 H SER D 289 30.921 1.508 -5.755 1.00 15.00 H +ATOM 10844 HG SER D 289 32.273 3.611 -3.162 1.00 15.00 H +ATOM 10845 N TRP D 290 34.065 -0.333 -4.943 1.00 97.83 N +ATOM 10846 CA TRP D 290 34.456 -1.705 -5.265 1.00 95.17 C +ATOM 10847 C TRP D 290 35.260 -2.282 -4.115 1.00 93.09 C +ATOM 10848 O TRP D 290 36.122 -1.594 -3.562 1.00 93.09 O +ATOM 10849 CB TRP D 290 35.310 -1.738 -6.535 1.00 91.16 C +ATOM 10850 CG TRP D 290 34.538 -1.457 -7.768 1.00 92.59 C +ATOM 10851 CD1 TRP D 290 34.363 -0.246 -8.366 1.00 93.72 C +ATOM 10852 CD2 TRP D 290 33.796 -2.404 -8.547 1.00 95.53 C +ATOM 10853 NE1 TRP D 290 33.553 -0.376 -9.467 1.00 96.89 N +ATOM 10854 CE2 TRP D 290 33.192 -1.691 -9.603 1.00 98.15 C +ATOM 10855 CE3 TRP D 290 33.580 -3.786 -8.451 1.00 96.22 C +ATOM 10856 CZ2 TRP D 290 32.383 -2.314 -10.563 1.00 97.28 C +ATOM 10857 CZ3 TRP D 290 32.774 -4.406 -9.405 1.00 97.30 C +ATOM 10858 CH2 TRP D 290 32.187 -3.668 -10.446 1.00 95.40 C +ATOM 10859 H TRP D 290 34.787 0.314 -4.824 1.00 15.00 H +ATOM 10860 HE1 TRP D 290 33.258 0.355 -10.047 1.00 15.00 H +ATOM 10861 N PHE D 291 34.980 -3.531 -3.750 1.00 92.35 N +ATOM 10862 CA PHE D 291 35.696 -4.187 -2.657 1.00 91.03 C +ATOM 10863 C PHE D 291 35.852 -5.687 -2.887 1.00 86.32 C +ATOM 10864 O PHE D 291 34.866 -6.430 -2.939 1.00 85.15 O +ATOM 10865 CB PHE D 291 34.998 -3.935 -1.308 1.00 93.02 C +ATOM 10866 CG PHE D 291 34.858 -2.480 -0.960 1.00 93.35 C +ATOM 10867 CD1 PHE D 291 35.982 -1.678 -0.806 1.00 91.93 C +ATOM 10868 CD2 PHE D 291 33.600 -1.897 -0.857 1.00 94.01 C +ATOM 10869 CE1 PHE D 291 35.859 -0.318 -0.566 1.00 95.54 C +ATOM 10870 CE2 PHE D 291 33.466 -0.537 -0.615 1.00 96.20 C +ATOM 10871 CZ PHE D 291 34.600 0.256 -0.471 1.00 97.97 C +ATOM 10872 H PHE D 291 34.275 -4.019 -4.228 1.00 15.00 H +ATOM 10873 N VAL D 292 37.097 -6.120 -3.047 1.00 79.28 N +ATOM 10874 CA VAL D 292 37.398 -7.529 -3.253 1.00 76.16 C +ATOM 10875 C VAL D 292 37.351 -8.205 -1.894 1.00 82.35 C +ATOM 10876 O VAL D 292 38.257 -8.035 -1.082 1.00 81.65 O +ATOM 10877 CB VAL D 292 38.805 -7.730 -3.859 1.00 68.32 C +ATOM 10878 CG1 VAL D 292 39.148 -9.205 -3.925 1.00 65.55 C +ATOM 10879 CG2 VAL D 292 38.868 -7.131 -5.244 1.00 69.16 C +ATOM 10880 H VAL D 292 37.835 -5.479 -2.990 1.00 15.00 H +ATOM 10881 N ASN D 295 36.270 -8.927 -1.627 1.00 90.98 N +ATOM 10882 CA ASN D 295 36.110 -9.628 -0.359 1.00 99.26 C +ATOM 10883 C ASN D 295 36.063 -8.579 0.748 1.00103.41 C +ATOM 10884 O ASN D 295 36.661 -8.744 1.814 1.00103.02 O +ATOM 10885 CB ASN D 295 37.284 -10.591 -0.140 1.00104.74 C +ATOM 10886 CG ASN D 295 36.925 -11.762 0.749 1.00112.58 C +ATOM 10887 OD1 ASN D 295 36.691 -12.871 0.262 1.00116.04 O +ATOM 10888 ND2 ASN D 295 36.890 -11.531 2.057 1.00118.82 N +ATOM 10889 H ASN D 295 35.562 -8.952 -2.297 1.00 15.00 H +ATOM 10890 HD21 ASN D 295 36.658 -12.273 2.646 1.00 15.00 H +ATOM 10891 HD22 ASN D 295 37.099 -10.621 2.367 1.00 15.00 H +ATOM 10892 N ASN D 296 35.381 -7.475 0.450 1.00109.12 N +ATOM 10893 CA ASN D 296 35.219 -6.354 1.375 1.00116.23 C +ATOM 10894 C ASN D 296 36.465 -5.493 1.573 1.00116.42 C +ATOM 10895 O ASN D 296 36.398 -4.466 2.257 1.00117.62 O +ATOM 10896 CB ASN D 296 34.688 -6.827 2.736 1.00123.82 C +ATOM 10897 CG ASN D 296 33.253 -7.321 2.667 1.00129.73 C +ATOM 10898 OD1 ASN D 296 32.935 -8.249 1.921 1.00129.62 O +ATOM 10899 ND2 ASN D 296 32.378 -6.700 3.447 1.00134.56 N +ATOM 10900 H ASN D 296 34.955 -7.420 -0.429 1.00 15.00 H +ATOM 10901 HD21 ASN D 296 31.451 -7.006 3.413 1.00 15.00 H +ATOM 10902 HD22 ASN D 296 32.705 -5.971 4.013 1.00 15.00 H +ATOM 10903 N VAL D 299 37.592 -5.890 0.980 1.00115.24 N +ATOM 10904 CA VAL D 299 38.818 -5.107 1.120 1.00113.49 C +ATOM 10905 C VAL D 299 38.652 -3.793 0.371 1.00114.96 C +ATOM 10906 O VAL D 299 38.144 -3.753 -0.750 1.00111.74 O +ATOM 10907 CB VAL D 299 40.091 -5.863 0.642 1.00110.79 C +ATOM 10908 CG1 VAL D 299 40.142 -7.254 1.259 1.00109.00 C +ATOM 10909 CG2 VAL D 299 40.171 -5.918 -0.874 1.00111.35 C +ATOM 10910 H VAL D 299 37.618 -6.707 0.441 1.00 15.00 H +ATOM 10911 N GLU D 300 39.073 -2.717 1.013 1.00119.92 N +ATOM 10912 CA GLU D 300 38.940 -1.389 0.452 1.00127.37 C +ATOM 10913 C GLU D 300 39.759 -1.124 -0.807 1.00132.19 C +ATOM 10914 O GLU D 300 40.796 -0.463 -0.737 1.00136.34 O +ATOM 10915 CB GLU D 300 39.281 -0.347 1.523 1.00129.55 C +ATOM 10916 CG GLU D 300 38.424 0.917 1.487 1.00131.31 C +ATOM 10917 CD GLU D 300 37.120 0.783 2.263 1.00132.66 C +ATOM 10918 OE1 GLU D 300 36.666 -0.358 2.511 1.00133.94 O +ATOM 10919 OE2 GLU D 300 36.544 1.831 2.628 1.00130.19 O +ATOM 10920 H GLU D 300 39.492 -2.826 1.889 1.00 15.00 H +ATOM 10921 N VAL D 301 39.318 -1.631 -1.955 1.00136.16 N +ATOM 10922 CA VAL D 301 40.042 -1.352 -3.197 1.00140.51 C +ATOM 10923 C VAL D 301 39.481 -0.042 -3.751 1.00144.17 C +ATOM 10924 O VAL D 301 38.911 0.011 -4.843 1.00142.61 O +ATOM 10925 CB VAL D 301 39.958 -2.504 -4.240 1.00138.58 C +ATOM 10926 CG1 VAL D 301 40.760 -3.695 -3.760 1.00139.23 C +ATOM 10927 CG2 VAL D 301 38.529 -2.909 -4.500 1.00136.80 C +ATOM 10928 H VAL D 301 38.503 -2.182 -1.966 1.00 15.00 H +ATOM 10929 N HIS D 302 39.671 1.011 -2.957 1.00149.54 N +ATOM 10930 CA HIS D 302 39.207 2.371 -3.234 1.00151.70 C +ATOM 10931 C HIS D 302 39.351 2.823 -4.685 1.00151.55 C +ATOM 10932 O HIS D 302 40.386 3.370 -5.080 1.00149.60 O +ATOM 10933 CB HIS D 302 39.929 3.356 -2.305 1.00152.68 C +ATOM 10934 CG HIS D 302 39.210 4.656 -2.115 1.00154.43 C +ATOM 10935 ND1 HIS D 302 38.558 4.981 -0.944 1.00154.67 N +ATOM 10936 CD2 HIS D 302 39.063 5.724 -2.935 1.00154.70 C +ATOM 10937 CE1 HIS D 302 38.046 6.194 -1.048 1.00154.90 C +ATOM 10938 NE2 HIS D 302 38.339 6.666 -2.246 1.00155.31 N +ATOM 10939 H HIS D 302 40.194 0.836 -2.146 1.00 15.00 H +ATOM 10940 HD1 HIS D 302 38.458 4.414 -0.148 1.00 15.00 H +ATOM 10941 HE2 HIS D 302 38.138 7.570 -2.566 1.00 15.00 H +ATOM 10942 N THR D 303 38.286 2.603 -5.453 1.00152.11 N +ATOM 10943 CA THR D 303 38.212 2.970 -6.866 1.00150.84 C +ATOM 10944 C THR D 303 39.447 2.515 -7.644 1.00146.66 C +ATOM 10945 O THR D 303 40.014 3.276 -8.431 1.00144.78 O +ATOM 10946 CB THR D 303 38.004 4.498 -7.035 1.00154.49 C +ATOM 10947 OG1 THR D 303 37.037 4.957 -6.077 1.00156.54 O +ATOM 10948 CG2 THR D 303 37.495 4.821 -8.441 1.00154.40 C +ATOM 10949 H THR D 303 37.515 2.149 -5.069 1.00 15.00 H +ATOM 10950 HG1 THR D 303 36.765 5.848 -6.324 1.00 15.00 H +ATOM 10951 N ALA D 304 39.852 1.268 -7.416 1.00143.02 N +ATOM 10952 CA ALA D 304 41.014 0.693 -8.082 1.00139.70 C +ATOM 10953 C ALA D 304 40.890 0.866 -9.591 1.00136.54 C +ATOM 10954 O ALA D 304 40.324 0.022 -10.287 1.00131.53 O +ATOM 10955 CB ALA D 304 41.159 -0.779 -7.719 1.00140.38 C +ATOM 10956 H ALA D 304 39.347 0.718 -6.778 1.00 15.00 H +ATOM 10957 N GLN D 305 41.368 2.014 -10.065 1.00137.82 N +ATOM 10958 CA GLN D 305 41.347 2.386 -11.477 1.00139.45 C +ATOM 10959 C GLN D 305 40.016 2.046 -12.142 1.00133.80 C +ATOM 10960 O GLN D 305 39.954 1.748 -13.337 1.00134.40 O +ATOM 10961 CB GLN D 305 42.517 1.731 -12.221 1.00148.30 C +ATOM 10962 CG GLN D 305 43.904 2.086 -11.667 1.00160.97 C +ATOM 10963 CD GLN D 305 44.208 3.581 -11.700 1.00166.46 C +ATOM 10964 OE1 GLN D 305 44.469 4.195 -10.666 1.00170.62 O +ATOM 10965 NE2 GLN D 305 44.193 4.165 -12.892 1.00170.53 N +ATOM 10966 H GLN D 305 41.720 2.658 -9.415 1.00 15.00 H +ATOM 10967 HE21 GLN D 305 44.392 5.122 -12.910 1.00 15.00 H +ATOM 10968 HE22 GLN D 305 43.993 3.623 -13.681 1.00 15.00 H +ATOM 10969 N THR D 306 38.946 2.125 -11.366 1.00124.70 N +ATOM 10970 CA THR D 306 37.634 1.815 -11.880 1.00118.99 C +ATOM 10971 C THR D 306 37.078 2.938 -12.739 1.00116.53 C +ATOM 10972 O THR D 306 36.592 3.946 -12.228 1.00117.10 O +ATOM 10973 CB THR D 306 36.669 1.530 -10.747 1.00119.14 C +ATOM 10974 OG1 THR D 306 37.234 0.531 -9.890 1.00119.19 O +ATOM 10975 CG2 THR D 306 35.347 1.047 -11.303 1.00122.09 C +ATOM 10976 H THR D 306 39.033 2.404 -10.433 1.00 15.00 H +ATOM 10977 HG1 THR D 306 37.627 -0.167 -10.431 1.00 15.00 H +ATOM 10978 N GLN D 307 37.168 2.767 -14.050 1.00114.92 N +ATOM 10979 CA GLN D 307 36.649 3.764 -14.972 1.00116.18 C +ATOM 10980 C GLN D 307 35.125 3.680 -14.915 1.00118.83 C +ATOM 10981 O GLN D 307 34.565 2.585 -14.898 1.00118.89 O +ATOM 10982 CB GLN D 307 37.162 3.515 -16.400 1.00113.34 C +ATOM 10983 CG GLN D 307 36.883 2.120 -16.981 1.00115.73 C +ATOM 10984 CD GLN D 307 37.942 1.070 -16.637 1.00116.91 C +ATOM 10985 OE1 GLN D 307 37.892 -0.058 -17.131 1.00114.17 O +ATOM 10986 NE2 GLN D 307 38.907 1.439 -15.805 1.00118.27 N +ATOM 10987 H GLN D 307 37.551 1.916 -14.348 1.00 15.00 H +ATOM 10988 HE21 GLN D 307 39.544 0.728 -15.594 1.00 15.00 H +ATOM 10989 HE22 GLN D 307 38.996 2.326 -15.412 1.00 15.00 H +ATOM 10990 N THR D 308 34.458 4.826 -14.833 1.00123.75 N +ATOM 10991 CA THR D 308 33.001 4.844 -14.766 1.00128.43 C +ATOM 10992 C THR D 308 32.383 5.821 -15.778 1.00132.63 C +ATOM 10993 O THR D 308 32.374 7.035 -15.570 1.00134.00 O +ATOM 10994 CB THR D 308 32.513 5.116 -13.305 1.00125.90 C +ATOM 10995 OG1 THR D 308 31.081 5.100 -13.252 1.00122.43 O +ATOM 10996 CG2 THR D 308 33.045 6.443 -12.773 1.00122.79 C +ATOM 10997 H THR D 308 34.930 5.683 -14.800 1.00 15.00 H +ATOM 10998 HG1 THR D 308 30.748 5.894 -13.691 1.00 15.00 H +ATOM 10999 N HIS D 309 31.902 5.277 -16.896 1.00137.45 N +ATOM 11000 CA HIS D 309 31.290 6.077 -17.961 1.00140.65 C +ATOM 11001 C HIS D 309 29.828 6.398 -17.627 1.00144.31 C +ATOM 11002 O HIS D 309 29.196 5.706 -16.827 1.00144.83 O +ATOM 11003 CB HIS D 309 31.298 5.318 -19.305 1.00140.71 C +ATOM 11004 CG HIS D 309 32.660 4.986 -19.840 1.00139.02 C +ATOM 11005 ND1 HIS D 309 32.882 3.919 -20.685 1.00136.71 N +ATOM 11006 CD2 HIS D 309 33.861 5.598 -19.690 1.00138.17 C +ATOM 11007 CE1 HIS D 309 34.155 3.887 -21.035 1.00134.77 C +ATOM 11008 NE2 HIS D 309 34.771 4.897 -20.445 1.00137.10 N +ATOM 11009 H HIS D 309 31.904 4.295 -16.941 1.00 15.00 H +ATOM 11010 HD1 HIS D 309 32.208 3.271 -20.993 1.00 15.00 H +ATOM 11011 HE2 HIS D 309 35.719 5.132 -20.559 1.00 15.00 H +ATOM 11012 N ARG D 310 29.301 7.445 -18.257 1.00147.65 N +ATOM 11013 CA ARG D 310 27.906 7.856 -18.098 1.00150.05 C +ATOM 11014 C ARG D 310 27.388 8.007 -19.525 1.00151.71 C +ATOM 11015 O ARG D 310 27.839 8.887 -20.262 1.00151.50 O +ATOM 11016 CB ARG D 310 27.789 9.191 -17.351 1.00149.38 C +ATOM 11017 CG ARG D 310 27.915 9.103 -15.831 1.00151.42 C +ATOM 11018 CD ARG D 310 29.361 8.998 -15.376 1.00153.04 C +ATOM 11019 NE ARG D 310 29.472 8.881 -13.923 1.00153.85 N +ATOM 11020 CZ ARG D 310 30.098 9.756 -13.142 1.00153.35 C +ATOM 11021 NH1 ARG D 310 30.678 10.830 -13.665 1.00152.01 N +ATOM 11022 NH2 ARG D 310 30.154 9.551 -11.834 1.00152.64 N +ATOM 11023 H ARG D 310 29.837 7.993 -18.867 1.00 15.00 H +ATOM 11024 HE ARG D 310 29.059 8.105 -13.489 1.00 15.00 H +ATOM 11025 HH11 ARG D 310 30.647 10.990 -14.651 1.00 15.00 H +ATOM 11026 HH12 ARG D 310 31.145 11.483 -13.069 1.00 15.00 H +ATOM 11027 HH21 ARG D 310 29.725 8.739 -11.438 1.00 15.00 H +ATOM 11028 HH22 ARG D 310 30.623 10.207 -11.244 1.00 15.00 H +ATOM 11029 N GLU D 311 26.489 7.115 -19.935 1.00154.58 N +ATOM 11030 CA GLU D 311 25.938 7.133 -21.295 1.00157.74 C +ATOM 11031 C GLU D 311 24.540 7.786 -21.384 1.00158.61 C +ATOM 11032 O GLU D 311 23.985 8.198 -20.366 1.00160.09 O +ATOM 11033 CB GLU D 311 25.905 5.703 -21.860 1.00159.13 C +ATOM 11034 CG GLU D 311 27.139 4.830 -21.536 1.00160.71 C +ATOM 11035 CD GLU D 311 28.395 5.190 -22.331 1.00161.74 C +ATOM 11036 OE1 GLU D 311 28.934 6.304 -22.148 1.00162.03 O +ATOM 11037 OE2 GLU D 311 28.862 4.340 -23.123 1.00159.08 O +ATOM 11038 H GLU D 311 26.174 6.436 -19.303 1.00 15.00 H +ATOM 11039 N ASP D 312 23.980 7.870 -22.595 1.00157.36 N +ATOM 11040 CA ASP D 312 22.656 8.477 -22.822 1.00154.82 C +ATOM 11041 C ASP D 312 21.773 7.539 -23.673 1.00155.22 C +ATOM 11042 O ASP D 312 22.291 6.843 -24.548 1.00155.79 O +ATOM 11043 CB ASP D 312 22.819 9.826 -23.548 1.00149.81 C +ATOM 11044 CG ASP D 312 24.114 10.548 -23.182 1.00145.67 C +ATOM 11045 OD1 ASP D 312 25.157 10.246 -23.804 1.00139.02 O +ATOM 11046 OD2 ASP D 312 24.090 11.424 -22.288 1.00143.28 O +ATOM 11047 H ASP D 312 24.446 7.503 -23.370 1.00 15.00 H +ATOM 11048 N TYR D 313 20.454 7.529 -23.453 1.00154.65 N +ATOM 11049 CA TYR D 313 19.590 6.641 -24.237 1.00154.85 C +ATOM 11050 C TYR D 313 18.108 7.005 -24.443 1.00154.44 C +ATOM 11051 O TYR D 313 17.809 8.041 -25.026 1.00151.35 O +ATOM 11052 CB TYR D 313 19.724 5.190 -23.751 1.00159.21 C +ATOM 11053 CG TYR D 313 19.542 4.160 -24.850 1.00164.34 C +ATOM 11054 CD1 TYR D 313 20.562 3.903 -25.770 1.00166.38 C +ATOM 11055 CD2 TYR D 313 18.349 3.450 -24.980 1.00167.06 C +ATOM 11056 CE1 TYR D 313 20.393 2.966 -26.794 1.00167.05 C +ATOM 11057 CE2 TYR D 313 18.171 2.514 -25.998 1.00166.65 C +ATOM 11058 CZ TYR D 313 19.195 2.276 -26.901 1.00166.76 C +ATOM 11059 OH TYR D 313 19.022 1.361 -27.914 1.00164.53 O +ATOM 11060 H TYR D 313 20.064 8.140 -22.789 1.00 15.00 H +ATOM 11061 HH TYR D 313 18.185 0.922 -27.764 1.00 15.00 H +ATOM 11062 N ASN D 314 17.189 6.169 -23.946 1.00157.06 N +ATOM 11063 CA ASN D 314 15.749 6.366 -24.150 1.00159.43 C +ATOM 11064 C ASN D 314 15.127 7.635 -23.585 1.00162.52 C +ATOM 11065 O ASN D 314 14.168 8.158 -24.150 1.00163.93 O +ATOM 11066 CB ASN D 314 14.934 5.105 -23.748 1.00154.99 C +ATOM 11067 CG ASN D 314 15.118 4.693 -22.274 1.00150.22 C +ATOM 11068 OD1 ASN D 314 15.814 5.370 -21.506 1.00151.80 O +ATOM 11069 ND2 ASN D 314 14.465 3.596 -21.877 1.00143.27 N +ATOM 11070 H ASN D 314 17.432 5.369 -23.436 1.00 15.00 H +ATOM 11071 HD21 ASN D 314 13.479 3.578 -21.894 1.00 15.00 H +ATOM 11072 N SER D 317 15.705 8.136 -22.498 1.00164.71 N +ATOM 11073 CA SER D 317 15.249 9.348 -21.816 1.00166.35 C +ATOM 11074 C SER D 317 15.951 9.428 -20.462 1.00168.31 C +ATOM 11075 O SER D 317 15.843 10.431 -19.753 1.00170.34 O +ATOM 11076 CB SER D 317 13.730 9.319 -21.602 1.00165.41 C +ATOM 11077 OG SER D 317 13.255 10.551 -21.085 1.00164.81 O +ATOM 11078 H SER D 317 16.502 7.652 -22.215 1.00 15.00 H +ATOM 11079 HG SER D 317 13.816 10.814 -20.346 1.00 15.00 H +ATOM 11080 N THR D 318 16.660 8.355 -20.117 1.00169.48 N +ATOM 11081 CA THR D 318 17.381 8.236 -18.853 1.00168.14 C +ATOM 11082 C THR D 318 18.900 8.180 -19.050 1.00164.90 C +ATOM 11083 O THR D 318 19.400 8.314 -20.173 1.00164.65 O +ATOM 11084 CB THR D 318 16.922 6.953 -18.097 1.00170.36 C +ATOM 11085 OG1 THR D 318 17.049 5.807 -18.956 1.00169.84 O +ATOM 11086 CG2 THR D 318 15.466 7.080 -17.646 1.00172.38 C +ATOM 11087 H THR D 318 16.716 7.587 -20.710 1.00 15.00 H +ATOM 11088 HG1 THR D 318 16.431 5.801 -19.702 1.00 15.00 H +ATOM 11089 N LEU D 319 19.617 7.958 -17.954 1.00160.79 N +ATOM 11090 CA LEU D 319 21.071 7.864 -17.971 1.00156.55 C +ATOM 11091 C LEU D 319 21.475 6.514 -17.356 1.00155.14 C +ATOM 11092 O LEU D 319 20.794 6.013 -16.456 1.00157.15 O +ATOM 11093 CB LEU D 319 21.654 9.028 -17.164 1.00151.55 C +ATOM 11094 CG LEU D 319 22.976 9.669 -17.590 1.00148.57 C +ATOM 11095 CD1 LEU D 319 23.185 10.940 -16.795 1.00149.22 C +ATOM 11096 CD2 LEU D 319 24.134 8.716 -17.378 1.00149.65 C +ATOM 11097 H LEU D 319 19.151 7.857 -17.102 1.00 15.00 H +ATOM 11098 N ARG D 320 22.535 5.900 -17.882 1.00150.03 N +ATOM 11099 CA ARG D 320 23.017 4.622 -17.358 1.00141.23 C +ATOM 11100 C ARG D 320 24.513 4.708 -17.071 1.00135.81 C +ATOM 11101 O ARG D 320 25.315 5.015 -17.957 1.00134.80 O +ATOM 11102 CB ARG D 320 22.705 3.454 -18.310 1.00141.10 C +ATOM 11103 CG ARG D 320 23.528 3.395 -19.591 1.00142.90 C +ATOM 11104 CD ARG D 320 23.381 2.039 -20.271 1.00146.38 C +ATOM 11105 NE ARG D 320 24.298 1.871 -21.400 1.00149.45 N +ATOM 11106 CZ ARG D 320 24.933 0.736 -21.692 1.00151.09 C +ATOM 11107 NH1 ARG D 320 24.758 -0.343 -20.940 1.00151.90 N +ATOM 11108 NH2 ARG D 320 25.748 0.676 -22.740 1.00150.37 N +ATOM 11109 H ARG D 320 22.999 6.328 -18.633 1.00 15.00 H +ATOM 11110 HE ARG D 320 24.457 2.640 -21.985 1.00 15.00 H +ATOM 11111 HH11 ARG D 320 24.147 -0.319 -20.148 1.00 15.00 H +ATOM 11112 HH12 ARG D 320 25.240 -1.191 -21.163 1.00 15.00 H +ATOM 11113 HH21 ARG D 320 25.886 1.484 -23.310 1.00 15.00 H +ATOM 11114 HH22 ARG D 320 26.223 -0.178 -22.951 1.00 15.00 H +ATOM 11115 N VAL D 321 24.887 4.508 -15.815 1.00129.88 N +ATOM 11116 CA VAL D 321 26.295 4.580 -15.462 1.00125.76 C +ATOM 11117 C VAL D 321 26.913 3.197 -15.565 1.00121.01 C +ATOM 11118 O VAL D 321 26.295 2.198 -15.189 1.00122.21 O +ATOM 11119 CB VAL D 321 26.518 5.200 -14.061 1.00128.17 C +ATOM 11120 CG1 VAL D 321 26.423 4.147 -12.965 1.00128.10 C +ATOM 11121 CG2 VAL D 321 27.857 5.908 -14.016 1.00129.38 C +ATOM 11122 H VAL D 321 24.205 4.275 -15.151 1.00 15.00 H +ATOM 11123 N VAL D 322 28.118 3.133 -16.113 1.00113.77 N +ATOM 11124 CA VAL D 322 28.793 1.857 -16.269 1.00105.65 C +ATOM 11125 C VAL D 322 30.175 1.863 -15.637 1.00100.56 C +ATOM 11126 O VAL D 322 31.104 2.504 -16.138 1.00100.02 O +ATOM 11127 CB VAL D 322 28.881 1.444 -17.755 1.00105.89 C +ATOM 11128 CG1 VAL D 322 27.487 1.226 -18.315 1.00109.81 C +ATOM 11129 CG2 VAL D 322 29.596 2.502 -18.568 1.00108.48 C +ATOM 11130 H VAL D 322 28.559 3.959 -16.384 1.00 15.00 H +ATOM 11131 N SER D 323 30.295 1.160 -14.515 1.00 94.71 N +ATOM 11132 CA SER D 323 31.557 1.063 -13.789 1.00 87.31 C +ATOM 11133 C SER D 323 32.279 -0.241 -14.132 1.00 80.12 C +ATOM 11134 O SER D 323 31.704 -1.326 -14.014 1.00 78.90 O +ATOM 11135 CB SER D 323 31.289 1.130 -12.287 1.00 87.07 C +ATOM 11136 OG SER D 323 30.436 2.223 -11.981 1.00 95.98 O +ATOM 11137 H SER D 323 29.521 0.690 -14.134 1.00 15.00 H +ATOM 11138 HG SER D 323 30.775 3.056 -12.344 1.00 15.00 H +ATOM 11139 N ALA D 324 33.529 -0.128 -14.570 1.00 72.05 N +ATOM 11140 CA ALA D 324 34.321 -1.297 -14.928 1.00 64.13 C +ATOM 11141 C ALA D 324 35.580 -1.398 -14.078 1.00 59.75 C +ATOM 11142 O ALA D 324 36.400 -0.479 -14.026 1.00 63.77 O +ATOM 11143 CB ALA D 324 34.676 -1.275 -16.410 1.00 60.47 C +ATOM 11144 H ALA D 324 33.950 0.755 -14.666 1.00 15.00 H +ATOM 11145 N LEU D 325 35.716 -2.517 -13.383 1.00 56.07 N +ATOM 11146 CA LEU D 325 36.871 -2.744 -12.537 1.00 50.80 C +ATOM 11147 C LEU D 325 37.768 -3.833 -13.095 1.00 43.42 C +ATOM 11148 O LEU D 325 37.341 -4.977 -13.246 1.00 43.91 O +ATOM 11149 CB LEU D 325 36.432 -3.130 -11.119 1.00 48.53 C +ATOM 11150 CG LEU D 325 37.535 -3.685 -10.206 1.00 42.96 C +ATOM 11151 CD1 LEU D 325 38.598 -2.629 -9.957 1.00 40.10 C +ATOM 11152 CD2 LEU D 325 36.945 -4.168 -8.897 1.00 41.73 C +ATOM 11153 H LEU D 325 35.015 -3.205 -13.438 1.00 15.00 H +ATOM 11154 N PRO D 326 38.972 -3.460 -13.541 1.00 38.56 N +ATOM 11155 CA PRO D 326 39.902 -4.457 -14.072 1.00 38.04 C +ATOM 11156 C PRO D 326 40.313 -5.344 -12.893 1.00 39.29 C +ATOM 11157 O PRO D 326 40.720 -4.853 -11.838 1.00 41.81 O +ATOM 11158 CB PRO D 326 41.059 -3.606 -14.607 1.00 38.65 C +ATOM 11159 CG PRO D 326 40.913 -2.293 -13.883 1.00 43.65 C +ATOM 11160 CD PRO D 326 39.430 -2.100 -13.854 1.00 37.91 C +ATOM 11161 N ILE D 327 40.154 -6.647 -13.074 1.00 39.07 N +ATOM 11162 CA ILE D 327 40.434 -7.639 -12.044 1.00 34.34 C +ATOM 11163 C ILE D 327 41.724 -8.395 -12.295 1.00 30.70 C +ATOM 11164 O ILE D 327 42.244 -8.418 -13.406 1.00 35.41 O +ATOM 11165 CB ILE D 327 39.277 -8.674 -12.016 1.00 38.84 C +ATOM 11166 CG1 ILE D 327 37.948 -7.958 -11.819 1.00 41.90 C +ATOM 11167 CG2 ILE D 327 39.477 -9.709 -10.934 1.00 42.24 C +ATOM 11168 CD1 ILE D 327 37.889 -7.100 -10.583 1.00 26.20 C +ATOM 11169 H ILE D 327 39.875 -6.957 -13.963 1.00 15.00 H +ATOM 11170 N GLN D 328 42.251 -9.017 -11.255 1.00 30.43 N +ATOM 11171 CA GLN D 328 43.448 -9.817 -11.427 1.00 39.46 C +ATOM 11172 C GLN D 328 42.972 -11.229 -11.778 1.00 38.41 C +ATOM 11173 O GLN D 328 42.091 -11.782 -11.111 1.00 31.82 O +ATOM 11174 CB GLN D 328 44.297 -9.816 -10.157 1.00 49.07 C +ATOM 11175 CG GLN D 328 45.652 -9.152 -10.340 1.00 65.73 C +ATOM 11176 CD GLN D 328 46.461 -9.776 -11.473 1.00 77.80 C +ATOM 11177 OE1 GLN D 328 46.122 -10.853 -11.984 1.00 81.86 O +ATOM 11178 NE2 GLN D 328 47.528 -9.097 -11.880 1.00 80.61 N +ATOM 11179 H GLN D 328 41.835 -8.938 -10.377 1.00 15.00 H +ATOM 11180 HE21 GLN D 328 48.078 -9.482 -12.591 1.00 15.00 H +ATOM 11181 HE22 GLN D 328 47.721 -8.244 -11.438 1.00 15.00 H +ATOM 11182 N HIS D 329 43.533 -11.794 -12.844 1.00 38.73 N +ATOM 11183 CA HIS D 329 43.151 -13.127 -13.304 1.00 36.49 C +ATOM 11184 C HIS D 329 42.979 -14.119 -12.154 1.00 42.22 C +ATOM 11185 O HIS D 329 41.871 -14.574 -11.880 1.00 42.95 O +ATOM 11186 CB HIS D 329 44.181 -13.676 -14.289 1.00 38.79 C +ATOM 11187 CG HIS D 329 44.316 -12.873 -15.544 1.00 46.98 C +ATOM 11188 ND1 HIS D 329 44.736 -11.560 -15.553 1.00 46.76 N +ATOM 11189 CD2 HIS D 329 44.130 -13.216 -16.840 1.00 48.94 C +ATOM 11190 CE1 HIS D 329 44.807 -11.131 -16.800 1.00 45.31 C +ATOM 11191 NE2 HIS D 329 44.443 -12.116 -17.600 1.00 51.18 N +ATOM 11192 H HIS D 329 44.243 -11.271 -13.254 1.00 15.00 H +ATOM 11193 HD1 HIS D 329 44.971 -10.984 -14.805 1.00 15.00 H +ATOM 11194 HE2 HIS D 329 44.397 -12.073 -18.591 1.00 15.00 H +ATOM 11195 N GLN D 330 44.066 -14.416 -11.450 1.00 48.54 N +ATOM 11196 CA GLN D 330 43.999 -15.364 -10.351 1.00 55.94 C +ATOM 11197 C GLN D 330 42.995 -14.983 -9.287 1.00 55.28 C +ATOM 11198 O GLN D 330 42.403 -15.860 -8.663 1.00 56.33 O +ATOM 11199 CB GLN D 330 45.376 -15.595 -9.730 1.00 66.77 C +ATOM 11200 CG GLN D 330 46.135 -16.775 -10.350 1.00 92.71 C +ATOM 11201 CD GLN D 330 45.404 -18.116 -10.194 1.00105.06 C +ATOM 11202 OE1 GLN D 330 45.079 -18.535 -9.081 1.00105.93 O +ATOM 11203 NE2 GLN D 330 45.156 -18.795 -11.315 1.00110.46 N +ATOM 11204 H GLN D 330 44.917 -13.980 -11.655 1.00 15.00 H +ATOM 11205 HE21 GLN D 330 44.672 -19.634 -11.195 1.00 15.00 H +ATOM 11206 HE22 GLN D 330 45.463 -18.431 -12.167 1.00 15.00 H +ATOM 11207 N ASP D 331 42.760 -13.683 -9.125 1.00 55.84 N +ATOM 11208 CA ASP D 331 41.808 -13.188 -8.129 1.00 56.00 C +ATOM 11209 C ASP D 331 40.449 -13.831 -8.340 1.00 50.93 C +ATOM 11210 O ASP D 331 39.912 -14.485 -7.442 1.00 47.81 O +ATOM 11211 CB ASP D 331 41.663 -11.663 -8.224 1.00 66.38 C +ATOM 11212 CG ASP D 331 42.158 -10.936 -6.977 1.00 75.04 C +ATOM 11213 OD1 ASP D 331 42.786 -11.573 -6.103 1.00 84.16 O +ATOM 11214 OD2 ASP D 331 41.916 -9.714 -6.871 1.00 77.56 O +ATOM 11215 H ASP D 331 43.202 -13.034 -9.702 1.00 15.00 H +ATOM 11216 N TRP D 332 39.911 -13.662 -9.543 1.00 52.70 N +ATOM 11217 CA TRP D 332 38.606 -14.224 -9.891 1.00 51.71 C +ATOM 11218 C TRP D 332 38.649 -15.743 -9.736 1.00 47.98 C +ATOM 11219 O TRP D 332 37.789 -16.333 -9.079 1.00 52.84 O +ATOM 11220 CB TRP D 332 38.217 -13.828 -11.331 1.00 47.72 C +ATOM 11221 CG TRP D 332 36.914 -14.415 -11.811 1.00 40.46 C +ATOM 11222 CD1 TRP D 332 36.744 -15.597 -12.474 1.00 46.16 C +ATOM 11223 CD2 TRP D 332 35.600 -13.888 -11.595 1.00 42.43 C +ATOM 11224 NE1 TRP D 332 35.408 -15.848 -12.666 1.00 41.63 N +ATOM 11225 CE2 TRP D 332 34.683 -14.814 -12.138 1.00 39.72 C +ATOM 11226 CE3 TRP D 332 35.106 -12.726 -10.988 1.00 46.17 C +ATOM 11227 CZ2 TRP D 332 33.301 -14.615 -12.092 1.00 44.22 C +ATOM 11228 CZ3 TRP D 332 33.730 -12.528 -10.942 1.00 46.05 C +ATOM 11229 CH2 TRP D 332 32.845 -13.470 -11.492 1.00 47.10 C +ATOM 11230 H TRP D 332 40.417 -13.156 -10.216 1.00 15.00 H +ATOM 11231 HE1 TRP D 332 35.046 -16.625 -13.141 1.00 15.00 H +ATOM 11232 N MET D 333 39.696 -16.354 -10.283 1.00 44.96 N +ATOM 11233 CA MET D 333 39.878 -17.802 -10.239 1.00 49.15 C +ATOM 11234 C MET D 333 39.831 -18.415 -8.843 1.00 51.22 C +ATOM 11235 O MET D 333 39.491 -19.587 -8.675 1.00 44.19 O +ATOM 11236 CB MET D 333 41.189 -18.160 -10.916 1.00 50.28 C +ATOM 11237 CG MET D 333 41.141 -17.965 -12.405 1.00 54.11 C +ATOM 11238 SD MET D 333 39.999 -19.135 -13.116 1.00 33.34 S +ATOM 11239 CE MET D 333 41.123 -20.495 -13.439 1.00 52.29 C +ATOM 11240 H MET D 333 40.369 -15.794 -10.729 1.00 15.00 H +ATOM 11241 N SER D 334 40.169 -17.609 -7.848 1.00 54.35 N +ATOM 11242 CA SER D 334 40.169 -18.055 -6.470 1.00 58.85 C +ATOM 11243 C SER D 334 38.821 -17.786 -5.811 1.00 57.23 C +ATOM 11244 O SER D 334 38.749 -17.525 -4.613 1.00 66.37 O +ATOM 11245 CB SER D 334 41.286 -17.351 -5.701 1.00 60.99 C +ATOM 11246 OG SER D 334 42.541 -17.584 -6.314 1.00 70.27 O +ATOM 11247 H SER D 334 40.441 -16.685 -8.031 1.00 15.00 H +ATOM 11248 HG SER D 334 42.545 -17.232 -7.213 1.00 15.00 H +ATOM 11249 N GLY D 335 37.758 -17.811 -6.604 1.00 52.27 N +ATOM 11250 CA GLY D 335 36.426 -17.587 -6.071 1.00 51.08 C +ATOM 11251 C GLY D 335 36.296 -16.463 -5.061 1.00 47.05 C +ATOM 11252 O GLY D 335 35.482 -16.541 -4.135 1.00 51.98 O +ATOM 11253 H GLY D 335 37.853 -17.964 -7.564 1.00 15.00 H +ATOM 11254 N LYS D 336 37.096 -15.419 -5.226 1.00 41.79 N +ATOM 11255 CA LYS D 336 37.033 -14.293 -4.317 1.00 49.20 C +ATOM 11256 C LYS D 336 35.741 -13.543 -4.548 1.00 51.46 C +ATOM 11257 O LYS D 336 35.104 -13.698 -5.593 1.00 52.00 O +ATOM 11258 CB LYS D 336 38.213 -13.366 -4.545 1.00 56.56 C +ATOM 11259 CG LYS D 336 39.547 -14.038 -4.320 1.00 74.60 C +ATOM 11260 CD LYS D 336 39.700 -14.517 -2.882 1.00 80.73 C +ATOM 11261 CE LYS D 336 41.076 -15.130 -2.662 1.00 89.07 C +ATOM 11262 NZ LYS D 336 42.184 -14.199 -3.050 1.00 93.13 N +ATOM 11263 H LYS D 336 37.716 -15.411 -5.980 1.00 15.00 H +ATOM 11264 HZ1 LYS D 336 42.114 -13.324 -2.493 1.00 15.00 H +ATOM 11265 HZ2 LYS D 336 43.101 -14.654 -2.872 1.00 15.00 H +ATOM 11266 HZ3 LYS D 336 42.103 -13.969 -4.061 1.00 15.00 H +ATOM 11267 N GLU D 337 35.355 -12.729 -3.574 1.00 59.06 N +ATOM 11268 CA GLU D 337 34.124 -11.958 -3.677 1.00 69.28 C +ATOM 11269 C GLU D 337 34.365 -10.572 -4.264 1.00 68.27 C +ATOM 11270 O GLU D 337 35.290 -9.871 -3.863 1.00 66.31 O +ATOM 11271 CB GLU D 337 33.450 -11.838 -2.303 1.00 83.41 C +ATOM 11272 CG GLU D 337 33.054 -13.180 -1.667 1.00102.37 C +ATOM 11273 CD GLU D 337 32.221 -13.036 -0.387 1.00112.49 C +ATOM 11274 OE1 GLU D 337 32.290 -11.976 0.281 1.00117.56 O +ATOM 11275 OE2 GLU D 337 31.496 -13.999 -0.046 1.00116.49 O +ATOM 11276 H GLU D 337 35.908 -12.656 -2.770 1.00 15.00 H +ATOM 11277 N PHE D 338 33.544 -10.192 -5.234 1.00 72.71 N +ATOM 11278 CA PHE D 338 33.655 -8.884 -5.865 1.00 75.69 C +ATOM 11279 C PHE D 338 32.361 -8.137 -5.641 1.00 81.48 C +ATOM 11280 O PHE D 338 31.321 -8.466 -6.218 1.00 81.86 O +ATOM 11281 CB PHE D 338 33.949 -9.015 -7.354 1.00 69.36 C +ATOM 11282 CG PHE D 338 35.315 -9.535 -7.640 1.00 63.30 C +ATOM 11283 CD1 PHE D 338 36.386 -8.662 -7.766 1.00 61.74 C +ATOM 11284 CD2 PHE D 338 35.543 -10.901 -7.738 1.00 62.80 C +ATOM 11285 CE1 PHE D 338 37.667 -9.140 -7.982 1.00 59.30 C +ATOM 11286 CE2 PHE D 338 36.820 -11.391 -7.954 1.00 64.58 C +ATOM 11287 CZ PHE D 338 37.886 -10.507 -8.076 1.00 62.56 C +ATOM 11288 H PHE D 338 32.844 -10.803 -5.556 1.00 15.00 H +ATOM 11289 N LYS D 339 32.439 -7.127 -4.791 1.00 89.60 N +ATOM 11290 CA LYS D 339 31.282 -6.334 -4.430 1.00 94.15 C +ATOM 11291 C LYS D 339 31.260 -5.003 -5.150 1.00 93.81 C +ATOM 11292 O LYS D 339 32.302 -4.458 -5.515 1.00 92.30 O +ATOM 11293 CB LYS D 339 31.273 -6.087 -2.916 1.00 99.10 C +ATOM 11294 CG LYS D 339 30.053 -5.323 -2.413 1.00109.41 C +ATOM 11295 CD LYS D 339 30.276 -4.689 -1.037 1.00115.98 C +ATOM 11296 CE LYS D 339 30.376 -5.716 0.087 1.00116.07 C +ATOM 11297 NZ LYS D 339 30.426 -5.049 1.425 1.00113.39 N +ATOM 11298 H LYS D 339 33.307 -6.893 -4.403 1.00 15.00 H +ATOM 11299 HZ1 LYS D 339 31.251 -4.417 1.470 1.00 15.00 H +ATOM 11300 HZ2 LYS D 339 29.557 -4.492 1.561 1.00 15.00 H +ATOM 11301 HZ3 LYS D 339 30.495 -5.769 2.172 1.00 15.00 H +ATOM 11302 N CYS D 340 30.060 -4.468 -5.307 1.00 94.09 N +ATOM 11303 CA CYS D 340 29.858 -3.191 -5.955 1.00 97.79 C +ATOM 11304 C CYS D 340 28.780 -2.484 -5.148 1.00106.64 C +ATOM 11305 O CYS D 340 27.657 -2.977 -5.041 1.00108.51 O +ATOM 11306 CB CYS D 340 29.425 -3.416 -7.399 1.00 90.72 C +ATOM 11307 SG CYS D 340 28.842 -1.936 -8.269 1.00 80.68 S +ATOM 11308 H CYS D 340 29.261 -4.948 -4.993 1.00 15.00 H +ATOM 11309 N LYS D 341 29.157 -1.371 -4.522 1.00116.01 N +ATOM 11310 CA LYS D 341 28.259 -0.582 -3.681 1.00120.96 C +ATOM 11311 C LYS D 341 27.949 0.763 -4.336 1.00122.59 C +ATOM 11312 O LYS D 341 28.841 1.595 -4.527 1.00119.04 O +ATOM 11313 CB LYS D 341 28.897 -0.368 -2.303 1.00122.55 C +ATOM 11314 CG LYS D 341 28.060 0.452 -1.335 1.00128.04 C +ATOM 11315 CD LYS D 341 28.822 0.717 -0.044 1.00133.46 C +ATOM 11316 CE LYS D 341 28.041 1.638 0.885 1.00135.47 C +ATOM 11317 NZ LYS D 341 28.798 1.946 2.132 1.00136.31 N +ATOM 11318 H LYS D 341 30.064 -1.046 -4.647 1.00 15.00 H +ATOM 11319 HZ1 LYS D 341 29.711 2.382 1.890 1.00 15.00 H +ATOM 11320 HZ2 LYS D 341 28.247 2.597 2.725 1.00 15.00 H +ATOM 11321 HZ3 LYS D 341 28.966 1.063 2.656 1.00 15.00 H +ATOM 11322 N VAL D 342 26.676 0.960 -4.662 1.00125.91 N +ATOM 11323 CA VAL D 342 26.188 2.167 -5.317 1.00131.85 C +ATOM 11324 C VAL D 342 25.419 3.038 -4.319 1.00136.51 C +ATOM 11325 O VAL D 342 24.606 2.527 -3.545 1.00136.60 O +ATOM 11326 CB VAL D 342 25.240 1.777 -6.485 1.00129.48 C +ATOM 11327 CG1 VAL D 342 24.789 3.004 -7.251 1.00133.66 C +ATOM 11328 CG2 VAL D 342 25.925 0.788 -7.415 1.00128.45 C +ATOM 11329 H VAL D 342 26.011 0.272 -4.444 1.00 15.00 H +ATOM 11330 N ASN D 343 25.638 4.351 -4.373 1.00143.05 N +ATOM 11331 CA ASN D 343 24.978 5.289 -3.465 1.00146.16 C +ATOM 11332 C ASN D 343 24.658 6.631 -4.138 1.00148.31 C +ATOM 11333 O ASN D 343 25.408 7.102 -4.993 1.00147.33 O +ATOM 11334 CB ASN D 343 25.877 5.503 -2.235 1.00144.59 C +ATOM 11335 CG ASN D 343 25.476 6.708 -1.410 1.00144.50 C +ATOM 11336 OD1 ASN D 343 26.048 7.788 -1.554 1.00144.61 O +ATOM 11337 ND2 ASN D 343 24.499 6.529 -0.533 1.00144.05 N +ATOM 11338 H ASN D 343 26.260 4.696 -5.054 1.00 15.00 H +ATOM 11339 HD21 ASN D 343 24.230 7.306 -0.002 1.00 15.00 H +ATOM 11340 HD22 ASN D 343 24.087 5.649 -0.447 1.00 15.00 H +ATOM 11341 N ASN D 344 23.543 7.237 -3.739 1.00151.18 N +ATOM 11342 CA ASN D 344 23.097 8.521 -4.276 1.00154.10 C +ATOM 11343 C ASN D 344 22.058 9.075 -3.298 1.00156.39 C +ATOM 11344 O ASN D 344 21.488 8.319 -2.513 1.00156.93 O +ATOM 11345 CB ASN D 344 22.472 8.315 -5.662 1.00153.17 C +ATOM 11346 CG ASN D 344 22.068 9.618 -6.322 1.00154.56 C +ATOM 11347 OD1 ASN D 344 20.971 10.127 -6.092 1.00153.83 O +ATOM 11348 ND2 ASN D 344 22.956 10.170 -7.139 1.00157.47 N +ATOM 11349 H ASN D 344 22.979 6.840 -3.040 1.00 15.00 H +ATOM 11350 HD21 ASN D 344 22.693 10.996 -7.595 1.00 15.00 H +ATOM 11351 HD22 ASN D 344 23.834 9.760 -7.294 1.00 15.00 H +ATOM 11352 N LYS D 345 21.796 10.378 -3.362 1.00158.22 N +ATOM 11353 CA LYS D 345 20.838 11.035 -2.466 1.00159.79 C +ATOM 11354 C LYS D 345 19.425 10.434 -2.393 1.00159.35 C +ATOM 11355 O LYS D 345 18.849 10.340 -1.307 1.00158.50 O +ATOM 11356 CB LYS D 345 20.738 12.529 -2.800 1.00161.21 C +ATOM 11357 CG LYS D 345 21.977 13.349 -2.449 1.00163.68 C +ATOM 11358 CD LYS D 345 22.203 13.404 -0.940 1.00165.91 C +ATOM 11359 CE LYS D 345 23.327 14.371 -0.561 1.00168.05 C +ATOM 11360 NZ LYS D 345 24.671 13.970 -1.076 1.00164.94 N +ATOM 11361 H LYS D 345 22.250 10.917 -4.041 1.00 15.00 H +ATOM 11362 HZ1 LYS D 345 24.921 13.037 -0.694 1.00 15.00 H +ATOM 11363 HZ2 LYS D 345 24.656 13.926 -2.114 1.00 15.00 H +ATOM 11364 HZ3 LYS D 345 25.379 14.667 -0.771 1.00 15.00 H +ATOM 11365 N ASP D 346 18.868 10.043 -3.539 1.00158.12 N +ATOM 11366 CA ASP D 346 17.517 9.474 -3.585 1.00154.85 C +ATOM 11367 C ASP D 346 17.431 8.047 -3.040 1.00155.34 C +ATOM 11368 O ASP D 346 16.342 7.478 -2.935 1.00154.89 O +ATOM 11369 CB ASP D 346 16.950 9.525 -5.016 1.00149.66 C +ATOM 11370 CG ASP D 346 17.378 8.336 -5.872 1.00143.61 C +ATOM 11371 OD1 ASP D 346 18.561 8.271 -6.267 1.00141.77 O +ATOM 11372 OD2 ASP D 346 16.522 7.471 -6.158 1.00135.34 O +ATOM 11373 H ASP D 346 19.379 10.133 -4.373 1.00 15.00 H +ATOM 11374 N LEU D 347 18.580 7.461 -2.724 1.00156.32 N +ATOM 11375 CA LEU D 347 18.612 6.105 -2.200 1.00158.17 C +ATOM 11376 C LEU D 347 18.431 6.083 -0.692 1.00160.10 C +ATOM 11377 O LEU D 347 19.224 6.670 0.046 1.00160.70 O +ATOM 11378 CB LEU D 347 19.922 5.401 -2.570 1.00156.58 C +ATOM 11379 CG LEU D 347 20.050 4.839 -3.986 1.00156.47 C +ATOM 11380 CD1 LEU D 347 21.413 4.199 -4.157 1.00156.24 C +ATOM 11381 CD2 LEU D 347 18.956 3.815 -4.237 1.00156.31 C +ATOM 11382 H LEU D 347 19.425 7.946 -2.788 1.00 15.00 H +ATOM 11383 N PRO D 348 17.353 5.441 -0.216 1.00160.98 N +ATOM 11384 CA PRO D 348 17.099 5.358 1.224 1.00161.92 C +ATOM 11385 C PRO D 348 18.241 4.610 1.916 1.00162.80 C +ATOM 11386 O PRO D 348 18.629 4.942 3.037 1.00162.64 O +ATOM 11387 CB PRO D 348 15.781 4.593 1.281 1.00161.29 C +ATOM 11388 CG PRO D 348 15.081 5.072 0.054 1.00160.10 C +ATOM 11389 CD PRO D 348 16.182 4.972 -0.975 1.00160.16 C +ATOM 11390 N ALA D 349 18.798 3.627 1.213 1.00164.33 N +ATOM 11391 CA ALA D 349 19.912 2.826 1.707 1.00165.72 C +ATOM 11392 C ALA D 349 20.714 2.379 0.487 1.00166.12 C +ATOM 11393 O ALA D 349 20.138 2.114 -0.574 1.00164.97 O +ATOM 11394 CB ALA D 349 19.398 1.620 2.476 1.00166.10 C +ATOM 11395 H ALA D 349 18.464 3.404 0.322 1.00 15.00 H +ATOM 11396 N PRO D 350 22.054 2.314 0.611 1.00167.35 N +ATOM 11397 CA PRO D 350 22.914 1.900 -0.504 1.00166.55 C +ATOM 11398 C PRO D 350 22.618 0.486 -1.002 1.00164.81 C +ATOM 11399 O PRO D 350 22.319 -0.412 -0.211 1.00164.93 O +ATOM 11400 CB PRO D 350 24.320 2.004 0.096 1.00166.75 C +ATOM 11401 CG PRO D 350 24.093 1.697 1.545 1.00167.50 C +ATOM 11402 CD PRO D 350 22.850 2.509 1.837 1.00167.72 C +ATOM 11403 N ILE D 351 22.671 0.301 -2.317 1.00161.79 N +ATOM 11404 CA ILE D 351 22.431 -1.007 -2.917 1.00156.80 C +ATOM 11405 C ILE D 351 23.763 -1.568 -3.401 1.00152.78 C +ATOM 11406 O ILE D 351 24.491 -0.907 -4.148 1.00153.10 O +ATOM 11407 CB ILE D 351 21.420 -0.944 -4.098 1.00156.55 C +ATOM 11408 CG1 ILE D 351 21.822 0.143 -5.102 1.00157.44 C +ATOM 11409 CG2 ILE D 351 20.010 -0.722 -3.567 1.00157.17 C +ATOM 11410 CD1 ILE D 351 20.931 0.217 -6.330 1.00156.24 C +ATOM 11411 H ILE D 351 22.914 1.053 -2.899 1.00 15.00 H +ATOM 11412 N GLU D 352 24.101 -2.768 -2.941 1.00146.39 N +ATOM 11413 CA GLU D 352 25.354 -3.396 -3.330 1.00138.65 C +ATOM 11414 C GLU D 352 25.185 -4.826 -3.827 1.00135.73 C +ATOM 11415 O GLU D 352 24.575 -5.659 -3.154 1.00137.33 O +ATOM 11416 CB GLU D 352 26.365 -3.342 -2.176 1.00133.52 C +ATOM 11417 CG GLU D 352 25.835 -3.820 -0.836 1.00128.29 C +ATOM 11418 CD GLU D 352 26.879 -3.754 0.259 1.00126.97 C +ATOM 11419 OE1 GLU D 352 27.450 -2.664 0.479 1.00125.46 O +ATOM 11420 OE2 GLU D 352 27.130 -4.796 0.900 1.00127.94 O +ATOM 11421 H GLU D 352 23.505 -3.258 -2.340 1.00 15.00 H +ATOM 11422 N ARG D 353 25.670 -5.079 -5.040 1.00129.29 N +ATOM 11423 CA ARG D 353 25.604 -6.408 -5.634 1.00121.24 C +ATOM 11424 C ARG D 353 26.915 -7.150 -5.386 1.00112.01 C +ATOM 11425 O ARG D 353 27.894 -6.565 -4.905 1.00109.12 O +ATOM 11426 CB ARG D 353 25.320 -6.336 -7.139 1.00127.67 C +ATOM 11427 CG ARG D 353 23.841 -6.294 -7.502 1.00135.82 C +ATOM 11428 CD ARG D 353 23.589 -6.834 -8.918 1.00147.55 C +ATOM 11429 NE ARG D 353 23.945 -8.253 -9.059 1.00158.36 N +ATOM 11430 CZ ARG D 353 23.527 -9.054 -10.043 1.00161.61 C +ATOM 11431 NH1 ARG D 353 22.732 -8.595 -11.001 1.00164.35 N +ATOM 11432 NH2 ARG D 353 23.913 -10.326 -10.074 1.00160.69 N +ATOM 11433 H ARG D 353 26.118 -4.348 -5.516 1.00 15.00 H +ATOM 11434 HE ARG D 353 24.532 -8.643 -8.378 1.00 15.00 H +ATOM 11435 HH11 ARG D 353 22.428 -7.643 -11.002 1.00 15.00 H +ATOM 11436 HH12 ARG D 353 22.432 -9.215 -11.726 1.00 15.00 H +ATOM 11437 HH21 ARG D 353 24.518 -10.683 -9.363 1.00 15.00 H +ATOM 11438 HH22 ARG D 353 23.600 -10.922 -10.813 1.00 15.00 H +ATOM 11439 N THR D 354 26.935 -8.433 -5.728 1.00 99.87 N +ATOM 11440 CA THR D 354 28.119 -9.255 -5.536 1.00 88.48 C +ATOM 11441 C THR D 354 28.141 -10.400 -6.553 1.00 80.68 C +ATOM 11442 O THR D 354 27.103 -10.988 -6.867 1.00 79.41 O +ATOM 11443 CB THR D 354 28.150 -9.837 -4.102 1.00 89.37 C +ATOM 11444 OG1 THR D 354 27.717 -8.836 -3.171 1.00 87.79 O +ATOM 11445 CG2 THR D 354 29.564 -10.276 -3.725 1.00 90.38 C +ATOM 11446 H THR D 354 26.152 -8.875 -6.115 1.00 15.00 H +ATOM 11447 HG1 THR D 354 28.157 -7.998 -3.362 1.00 15.00 H +ATOM 11448 N ILE D 355 29.321 -10.676 -7.097 1.00 68.54 N +ATOM 11449 CA ILE D 355 29.506 -11.745 -8.069 1.00 59.36 C +ATOM 11450 C ILE D 355 30.753 -12.502 -7.631 1.00 54.85 C +ATOM 11451 O ILE D 355 31.549 -11.982 -6.847 1.00 49.10 O +ATOM 11452 CB ILE D 355 29.694 -11.172 -9.512 1.00 56.40 C +ATOM 11453 CG1 ILE D 355 29.881 -12.293 -10.539 1.00 53.62 C +ATOM 11454 CG2 ILE D 355 30.890 -10.245 -9.563 1.00 54.92 C +ATOM 11455 CD1 ILE D 355 28.710 -13.233 -10.676 1.00 57.36 C +ATOM 11456 H ILE D 355 30.116 -10.157 -6.836 1.00 15.00 H +ATOM 11457 N SER D 357 30.890 -13.742 -8.086 1.00 54.34 N +ATOM 11458 CA SER D 357 32.048 -14.564 -7.756 1.00 51.50 C +ATOM 11459 C SER D 357 32.008 -15.801 -8.629 1.00 47.44 C +ATOM 11460 O SER D 357 31.013 -16.044 -9.316 1.00 52.28 O +ATOM 11461 CB SER D 357 32.011 -14.971 -6.284 1.00 51.25 C +ATOM 11462 OG SER D 357 30.773 -15.575 -5.962 1.00 52.95 O +ATOM 11463 H SER D 357 30.202 -14.178 -8.631 1.00 15.00 H +ATOM 11464 HG SER D 357 30.844 -15.869 -5.049 1.00 15.00 H +ATOM 11465 N LYS D 358 33.111 -16.543 -8.662 1.00 47.37 N +ATOM 11466 CA LYS D 358 33.150 -17.770 -9.443 1.00 42.25 C +ATOM 11467 C LYS D 358 32.597 -18.918 -8.601 1.00 38.04 C +ATOM 11468 O LYS D 358 33.081 -19.192 -7.498 1.00 38.13 O +ATOM 11469 CB LYS D 358 34.563 -18.116 -9.910 1.00 45.31 C +ATOM 11470 CG LYS D 358 34.585 -19.425 -10.695 1.00 45.46 C +ATOM 11471 CD LYS D 358 35.967 -19.861 -11.098 1.00 46.40 C +ATOM 11472 CE LYS D 358 35.889 -21.176 -11.851 1.00 45.26 C +ATOM 11473 NZ LYS D 358 37.213 -21.601 -12.360 1.00 44.32 N +ATOM 11474 H LYS D 358 33.894 -16.271 -8.143 1.00 15.00 H +ATOM 11475 HZ1 LYS D 358 37.878 -21.729 -11.571 1.00 15.00 H +ATOM 11476 HZ2 LYS D 358 37.072 -22.491 -12.844 1.00 15.00 H +ATOM 11477 HZ3 LYS D 358 37.571 -20.889 -13.026 1.00 15.00 H +ATOM 11478 N PRO D 359 31.554 -19.582 -9.103 1.00 30.87 N +ATOM 11479 CA PRO D 359 30.927 -20.696 -8.408 1.00 28.67 C +ATOM 11480 C PRO D 359 31.841 -21.907 -8.361 1.00 33.51 C +ATOM 11481 O PRO D 359 32.530 -22.225 -9.342 1.00 38.29 O +ATOM 11482 CB PRO D 359 29.708 -20.969 -9.270 1.00 31.65 C +ATOM 11483 CG PRO D 359 30.203 -20.638 -10.637 1.00 26.32 C +ATOM 11484 CD PRO D 359 30.889 -19.338 -10.393 1.00 27.41 C +ATOM 11485 N LYS D 360 31.857 -22.570 -7.209 1.00 33.44 N +ATOM 11486 CA LYS D 360 32.667 -23.767 -7.019 1.00 30.79 C +ATOM 11487 C LYS D 360 32.018 -24.819 -7.901 1.00 24.83 C +ATOM 11488 O LYS D 360 30.803 -24.993 -7.840 1.00 28.60 O +ATOM 11489 CB LYS D 360 32.623 -24.208 -5.547 1.00 31.85 C +ATOM 11490 CG LYS D 360 33.504 -25.420 -5.193 1.00 38.28 C +ATOM 11491 CD LYS D 360 34.932 -25.051 -4.765 1.00 42.32 C +ATOM 11492 CE LYS D 360 35.752 -24.413 -5.886 1.00 54.72 C +ATOM 11493 NZ LYS D 360 37.141 -24.051 -5.450 1.00 66.98 N +ATOM 11494 H LYS D 360 31.303 -22.255 -6.469 1.00 15.00 H +ATOM 11495 HZ1 LYS D 360 37.632 -24.911 -5.129 1.00 15.00 H +ATOM 11496 HZ2 LYS D 360 37.660 -23.636 -6.250 1.00 15.00 H +ATOM 11497 HZ3 LYS D 360 37.098 -23.364 -4.672 1.00 15.00 H +ATOM 11498 N GLY D 361 32.794 -25.481 -8.750 1.00 11.76 N +ATOM 11499 CA GLY D 361 32.194 -26.485 -9.605 1.00 19.80 C +ATOM 11500 C GLY D 361 33.154 -27.552 -10.069 1.00 22.39 C +ATOM 11501 O GLY D 361 34.353 -27.290 -10.213 1.00 27.94 O +ATOM 11502 H GLY D 361 33.753 -25.300 -8.833 1.00 15.00 H +ATOM 11503 N SER D 363 32.624 -28.750 -10.301 1.00 8.09 N +ATOM 11504 CA SER D 363 33.416 -29.883 -10.757 1.00 6.79 C +ATOM 11505 C SER D 363 34.051 -29.487 -12.062 1.00 9.91 C +ATOM 11506 O SER D 363 33.575 -28.557 -12.700 1.00 23.26 O +ATOM 11507 CB SER D 363 32.490 -31.052 -11.024 1.00 13.44 C +ATOM 11508 OG SER D 363 31.243 -30.874 -10.362 1.00 43.02 O +ATOM 11509 H SER D 363 31.661 -28.899 -10.192 1.00 15.00 H +ATOM 11510 HG SER D 363 30.638 -31.579 -10.615 1.00 15.00 H +ATOM 11511 N VAL D 364 35.150 -30.115 -12.457 1.00 5.55 N +ATOM 11512 CA VAL D 364 35.718 -29.755 -13.753 1.00 4.40 C +ATOM 11513 C VAL D 364 36.128 -30.980 -14.526 1.00 11.46 C +ATOM 11514 O VAL D 364 36.570 -31.974 -13.947 1.00 17.82 O +ATOM 11515 CB VAL D 364 36.915 -28.763 -13.698 1.00 2.00 C +ATOM 11516 CG1 VAL D 364 36.740 -27.753 -12.607 1.00 2.00 C +ATOM 11517 CG2 VAL D 364 38.222 -29.486 -13.575 1.00 3.17 C +ATOM 11518 H VAL D 364 35.570 -30.810 -11.914 1.00 15.00 H +ATOM 11519 N ARG D 365 35.888 -30.931 -15.828 1.00 8.25 N +ATOM 11520 CA ARG D 365 36.262 -32.007 -16.723 1.00 4.53 C +ATOM 11521 C ARG D 365 36.804 -31.343 -17.955 1.00 13.20 C +ATOM 11522 O ARG D 365 36.396 -30.241 -18.315 1.00 24.08 O +ATOM 11523 CB ARG D 365 35.090 -32.905 -17.073 1.00 2.00 C +ATOM 11524 CG ARG D 365 34.668 -33.787 -15.940 1.00 2.00 C +ATOM 11525 CD ARG D 365 33.587 -34.756 -16.377 1.00 27.80 C +ATOM 11526 NE ARG D 365 34.033 -35.662 -17.435 1.00 51.01 N +ATOM 11527 CZ ARG D 365 33.396 -36.781 -17.779 1.00 65.85 C +ATOM 11528 NH1 ARG D 365 32.279 -37.138 -17.146 1.00 65.20 N +ATOM 11529 NH2 ARG D 365 33.879 -37.549 -18.750 1.00 69.70 N +ATOM 11530 H ARG D 365 35.487 -30.127 -16.214 1.00 15.00 H +ATOM 11531 HE ARG D 365 34.844 -35.434 -17.934 1.00 15.00 H +ATOM 11532 HH11 ARG D 365 31.925 -36.563 -16.409 1.00 15.00 H +ATOM 11533 HH12 ARG D 365 31.801 -37.979 -17.397 1.00 15.00 H +ATOM 11534 HH21 ARG D 365 34.720 -37.284 -19.223 1.00 15.00 H +ATOM 11535 HH22 ARG D 365 33.404 -38.388 -19.007 1.00 15.00 H +ATOM 11536 N ALA D 366 37.780 -31.986 -18.561 1.00 16.25 N +ATOM 11537 CA ALA D 366 38.414 -31.459 -19.745 1.00 5.75 C +ATOM 11538 C ALA D 366 37.602 -31.836 -20.962 1.00 10.20 C +ATOM 11539 O ALA D 366 37.197 -32.991 -21.130 1.00 9.52 O +ATOM 11540 CB ALA D 366 39.829 -32.000 -19.865 1.00 12.65 C +ATOM 11541 H ALA D 366 38.072 -32.858 -18.227 1.00 15.00 H +ATOM 11542 N PRO D 367 37.367 -30.856 -21.838 1.00 9.75 N +ATOM 11543 CA PRO D 367 36.605 -31.040 -23.057 1.00 2.62 C +ATOM 11544 C PRO D 367 37.310 -31.925 -24.046 1.00 8.47 C +ATOM 11545 O PRO D 367 38.462 -31.671 -24.406 1.00 8.81 O +ATOM 11546 CB PRO D 367 36.497 -29.619 -23.588 1.00 7.55 C +ATOM 11547 CG PRO D 367 37.747 -28.996 -23.131 1.00 13.37 C +ATOM 11548 CD PRO D 367 37.795 -29.455 -21.713 1.00 16.68 C +ATOM 11549 N GLN D 368 36.637 -33.003 -24.433 1.00 10.05 N +ATOM 11550 CA GLN D 368 37.169 -33.897 -25.440 1.00 14.75 C +ATOM 11551 C GLN D 368 36.699 -33.240 -26.732 1.00 15.01 C +ATOM 11552 O GLN D 368 35.516 -33.261 -27.053 1.00 30.63 O +ATOM 11553 CB GLN D 368 36.580 -35.296 -25.292 1.00 20.46 C +ATOM 11554 CG GLN D 368 36.846 -35.923 -23.941 1.00 39.97 C +ATOM 11555 CD GLN D 368 38.321 -35.901 -23.552 1.00 51.48 C +ATOM 11556 OE1 GLN D 368 38.656 -35.766 -22.377 1.00 57.59 O +ATOM 11557 NE2 GLN D 368 39.206 -36.051 -24.535 1.00 50.72 N +ATOM 11558 H GLN D 368 35.771 -33.178 -24.000 1.00 15.00 H +ATOM 11559 HE21 GLN D 368 40.141 -36.014 -24.251 1.00 15.00 H +ATOM 11560 HE22 GLN D 368 38.916 -36.184 -25.458 1.00 15.00 H +ATOM 11561 N VAL D 369 37.612 -32.524 -27.369 1.00 15.76 N +ATOM 11562 CA VAL D 369 37.377 -31.804 -28.620 1.00 16.67 C +ATOM 11563 C VAL D 369 37.797 -32.618 -29.871 1.00 16.01 C +ATOM 11564 O VAL D 369 38.918 -33.107 -29.946 1.00 16.62 O +ATOM 11565 CB VAL D 369 38.147 -30.453 -28.585 1.00 15.84 C +ATOM 11566 CG1 VAL D 369 39.600 -30.688 -28.242 1.00 35.21 C +ATOM 11567 CG2 VAL D 369 38.054 -29.730 -29.904 1.00 21.22 C +ATOM 11568 H VAL D 369 38.498 -32.481 -26.960 1.00 15.00 H +ATOM 11569 N TYR D 370 36.873 -32.773 -30.821 1.00 14.81 N +ATOM 11570 CA TYR D 370 37.080 -33.499 -32.077 1.00 12.80 C +ATOM 11571 C TYR D 370 36.682 -32.584 -33.232 1.00 19.34 C +ATOM 11572 O TYR D 370 35.848 -31.693 -33.062 1.00 20.63 O +ATOM 11573 CB TYR D 370 36.131 -34.696 -32.158 1.00 7.16 C +ATOM 11574 CG TYR D 370 36.044 -35.564 -30.926 1.00 17.95 C +ATOM 11575 CD1 TYR D 370 35.235 -35.204 -29.861 1.00 12.39 C +ATOM 11576 CD2 TYR D 370 36.762 -36.755 -30.832 1.00 26.50 C +ATOM 11577 CE1 TYR D 370 35.139 -36.004 -28.723 1.00 23.81 C +ATOM 11578 CE2 TYR D 370 36.674 -37.569 -29.695 1.00 29.01 C +ATOM 11579 CZ TYR D 370 35.861 -37.185 -28.644 1.00 26.62 C +ATOM 11580 OH TYR D 370 35.765 -37.967 -27.513 1.00 33.47 O +ATOM 11581 H TYR D 370 36.000 -32.346 -30.680 1.00 15.00 H +ATOM 11582 HH TYR D 370 35.123 -37.572 -26.912 1.00 15.00 H +ATOM 11583 N VAL D 371 37.246 -32.808 -34.412 1.00 20.23 N +ATOM 11584 CA VAL D 371 36.859 -32.017 -35.576 1.00 21.38 C +ATOM 11585 C VAL D 371 36.364 -32.981 -36.640 1.00 25.20 C +ATOM 11586 O VAL D 371 37.041 -33.968 -36.963 1.00 31.38 O +ATOM 11587 CB VAL D 371 37.990 -31.118 -36.096 1.00 19.73 C +ATOM 11588 CG1 VAL D 371 38.245 -29.991 -35.105 1.00 19.77 C +ATOM 11589 CG2 VAL D 371 39.248 -31.920 -36.332 1.00 29.30 C +ATOM 11590 H VAL D 371 37.911 -33.518 -34.534 1.00 15.00 H +ATOM 11591 N LEU D 372 35.134 -32.763 -37.099 1.00 24.49 N +ATOM 11592 CA LEU D 372 34.542 -33.639 -38.101 1.00 23.51 C +ATOM 11593 C LEU D 372 34.558 -32.987 -39.475 1.00 23.42 C +ATOM 11594 O LEU D 372 34.373 -31.773 -39.603 1.00 24.41 O +ATOM 11595 CB LEU D 372 33.119 -34.039 -37.707 1.00 12.70 C +ATOM 11596 CG LEU D 372 32.897 -34.629 -36.313 1.00 3.50 C +ATOM 11597 CD1 LEU D 372 32.824 -33.518 -35.311 1.00 9.91 C +ATOM 11598 CD2 LEU D 372 31.605 -35.415 -36.253 1.00 13.67 C +ATOM 11599 H LEU D 372 34.637 -32.008 -36.777 1.00 15.00 H +ATOM 11600 N PRO D 373 34.869 -33.777 -40.512 1.00 20.39 N +ATOM 11601 CA PRO D 373 34.932 -33.339 -41.905 1.00 28.43 C +ATOM 11602 C PRO D 373 33.543 -33.248 -42.496 1.00 46.63 C +ATOM 11603 O PRO D 373 32.627 -33.953 -42.050 1.00 55.70 O +ATOM 11604 CB PRO D 373 35.667 -34.488 -42.575 1.00 19.20 C +ATOM 11605 CG PRO D 373 35.157 -35.667 -41.819 1.00 20.95 C +ATOM 11606 CD PRO D 373 35.278 -35.186 -40.394 1.00 16.98 C +ATOM 11607 N PRO D 374 33.369 -32.401 -43.526 1.00 56.86 N +ATOM 11608 CA PRO D 374 32.057 -32.269 -44.156 1.00 58.16 C +ATOM 11609 C PRO D 374 31.663 -33.637 -44.712 1.00 60.65 C +ATOM 11610 O PRO D 374 32.512 -34.387 -45.213 1.00 56.92 O +ATOM 11611 CB PRO D 374 32.312 -31.238 -45.259 1.00 60.10 C +ATOM 11612 CG PRO D 374 33.758 -31.416 -45.575 1.00 58.02 C +ATOM 11613 CD PRO D 374 34.363 -31.560 -44.211 1.00 61.47 C +ATOM 11614 N PRO D 375 30.382 -34.006 -44.564 1.00 66.08 N +ATOM 11615 CA PRO D 375 29.865 -35.291 -45.042 1.00 69.09 C +ATOM 11616 C PRO D 375 30.100 -35.469 -46.531 1.00 72.14 C +ATOM 11617 O PRO D 375 29.896 -34.543 -47.311 1.00 75.26 O +ATOM 11618 CB PRO D 375 28.376 -35.203 -44.706 1.00 65.17 C +ATOM 11619 CG PRO D 375 28.102 -33.726 -44.737 1.00 59.08 C +ATOM 11620 CD PRO D 375 29.294 -33.167 -44.034 1.00 61.51 C +ATOM 11621 N GLU D 377 30.521 -36.668 -46.917 1.00 78.41 N +ATOM 11622 CA GLU D 377 30.809 -36.995 -48.314 1.00 84.16 C +ATOM 11623 C GLU D 377 29.700 -36.555 -49.283 1.00 77.99 C +ATOM 11624 O GLU D 377 29.977 -36.046 -50.373 1.00 70.63 O +ATOM 11625 CB GLU D 377 31.091 -38.504 -48.462 1.00 95.27 C +ATOM 11626 CG GLU D 377 32.321 -39.039 -47.688 1.00108.25 C +ATOM 11627 CD GLU D 377 32.039 -39.365 -46.214 1.00120.14 C +ATOM 11628 OE1 GLU D 377 31.340 -40.370 -45.942 1.00121.61 O +ATOM 11629 OE2 GLU D 377 32.536 -38.630 -45.327 1.00126.58 O +ATOM 11630 H GLU D 377 30.668 -37.333 -46.216 1.00 15.00 H +ATOM 11631 N GLU D 378 28.451 -36.693 -48.846 1.00 74.67 N +ATOM 11632 CA GLU D 378 27.285 -36.325 -49.647 1.00 68.15 C +ATOM 11633 C GLU D 378 27.076 -34.813 -49.672 1.00 61.19 C +ATOM 11634 O GLU D 378 25.940 -34.344 -49.656 1.00 59.74 O +ATOM 11635 CB GLU D 378 26.030 -36.999 -49.076 1.00 68.66 C +ATOM 11636 CG GLU D 378 26.101 -38.522 -49.021 1.00 80.75 C +ATOM 11637 CD GLU D 378 24.919 -39.151 -48.291 1.00 88.61 C +ATOM 11638 OE1 GLU D 378 24.588 -38.675 -47.179 1.00 90.71 O +ATOM 11639 OE2 GLU D 378 24.333 -40.126 -48.826 1.00 88.23 O +ATOM 11640 H GLU D 378 28.306 -37.041 -47.946 1.00 15.00 H +ATOM 11641 N GLU D 379 28.169 -34.059 -49.693 1.00 55.71 N +ATOM 11642 CA GLU D 379 28.106 -32.605 -49.708 1.00 58.17 C +ATOM 11643 C GLU D 379 29.299 -32.063 -50.478 1.00 63.11 C +ATOM 11644 O GLU D 379 29.473 -30.853 -50.602 1.00 61.05 O +ATOM 11645 CB GLU D 379 28.127 -32.059 -48.277 1.00 55.90 C +ATOM 11646 CG GLU D 379 27.749 -30.590 -48.162 1.00 57.14 C +ATOM 11647 CD GLU D 379 28.025 -29.991 -46.790 1.00 58.45 C +ATOM 11648 OE1 GLU D 379 28.362 -30.739 -45.848 1.00 62.30 O +ATOM 11649 OE2 GLU D 379 27.908 -28.755 -46.660 1.00 52.67 O +ATOM 11650 H GLU D 379 29.056 -34.453 -49.669 1.00 15.00 H +ATOM 11651 N MET D 381 30.111 -32.966 -51.017 1.00 74.69 N +ATOM 11652 CA MET D 381 31.289 -32.578 -51.784 1.00 88.20 C +ATOM 11653 C MET D 381 30.899 -32.212 -53.221 1.00 95.36 C +ATOM 11654 O MET D 381 31.540 -32.656 -54.181 1.00 96.57 O +ATOM 11655 CB MET D 381 32.304 -33.725 -51.797 1.00 93.24 C +ATOM 11656 CG MET D 381 32.768 -34.177 -50.419 1.00 98.50 C +ATOM 11657 SD MET D 381 33.876 -33.016 -49.600 1.00 98.85 S +ATOM 11658 CE MET D 381 34.645 -34.117 -48.353 1.00101.97 C +ATOM 11659 H MET D 381 29.932 -33.924 -50.921 1.00 15.00 H +ATOM 11660 N THR D 382 29.844 -31.407 -53.358 1.00101.66 N +ATOM 11661 CA THR D 382 29.338 -30.971 -54.661 1.00103.46 C +ATOM 11662 C THR D 382 29.167 -29.460 -54.663 1.00100.69 C +ATOM 11663 O THR D 382 29.629 -28.769 -55.570 1.00106.84 O +ATOM 11664 CB THR D 382 27.946 -31.572 -54.981 1.00105.94 C +ATOM 11665 OG1 THR D 382 26.980 -31.095 -54.032 1.00107.23 O +ATOM 11666 CG2 THR D 382 27.989 -33.091 -54.943 1.00113.11 C +ATOM 11667 H THR D 382 29.403 -31.036 -52.570 1.00 15.00 H +ATOM 11668 HG1 THR D 382 26.118 -31.468 -54.253 1.00 15.00 H +ATOM 11669 N LYS D 383 28.464 -28.964 -53.653 1.00 92.52 N +ATOM 11670 CA LYS D 383 28.203 -27.543 -53.513 1.00 85.88 C +ATOM 11671 C LYS D 383 29.523 -26.782 -53.421 1.00 76.51 C +ATOM 11672 O LYS D 383 30.579 -27.378 -53.235 1.00 71.25 O +ATOM 11673 CB LYS D 383 27.355 -27.304 -52.263 1.00 96.38 C +ATOM 11674 CG LYS D 383 26.724 -25.923 -52.161 1.00108.60 C +ATOM 11675 CD LYS D 383 25.898 -25.802 -50.881 1.00117.33 C +ATOM 11676 CE LYS D 383 25.191 -24.455 -50.777 1.00120.38 C +ATOM 11677 NZ LYS D 383 24.196 -24.249 -51.867 1.00121.51 N +ATOM 11678 H LYS D 383 28.119 -29.583 -52.982 1.00 15.00 H +ATOM 11679 HZ1 LYS D 383 23.498 -25.019 -51.837 1.00 15.00 H +ATOM 11680 HZ2 LYS D 383 23.717 -23.336 -51.734 1.00 15.00 H +ATOM 11681 HZ3 LYS D 383 24.684 -24.258 -52.785 1.00 15.00 H +ATOM 11682 N LYS D 384 29.460 -25.468 -53.589 1.00 72.93 N +ATOM 11683 CA LYS D 384 30.652 -24.623 -53.518 1.00 76.14 C +ATOM 11684 C LYS D 384 31.193 -24.497 -52.098 1.00 70.31 C +ATOM 11685 O LYS D 384 32.398 -24.366 -51.890 1.00 68.79 O +ATOM 11686 CB LYS D 384 30.355 -23.222 -54.078 1.00 84.37 C +ATOM 11687 CG LYS D 384 29.095 -22.542 -53.519 1.00 88.15 C +ATOM 11688 CD LYS D 384 29.003 -21.080 -53.969 1.00 87.81 C +ATOM 11689 CE LYS D 384 27.604 -20.490 -53.763 1.00 87.88 C +ATOM 11690 NZ LYS D 384 27.157 -20.454 -52.345 1.00 84.32 N +ATOM 11691 H LYS D 384 28.596 -25.066 -53.789 1.00 15.00 H +ATOM 11692 HZ1 LYS D 384 27.816 -19.878 -51.787 1.00 15.00 H +ATOM 11693 HZ2 LYS D 384 26.204 -20.041 -52.291 1.00 15.00 H +ATOM 11694 HZ3 LYS D 384 27.133 -21.424 -51.970 1.00 15.00 H +ATOM 11695 N GLN D 385 30.286 -24.481 -51.130 1.00 63.23 N +ATOM 11696 CA GLN D 385 30.657 -24.371 -49.733 1.00 56.71 C +ATOM 11697 C GLN D 385 30.572 -25.731 -49.074 1.00 55.28 C +ATOM 11698 O GLN D 385 29.801 -26.589 -49.502 1.00 55.14 O +ATOM 11699 CB GLN D 385 29.733 -23.405 -49.001 1.00 60.02 C +ATOM 11700 CG GLN D 385 30.216 -21.972 -48.974 1.00 76.90 C +ATOM 11701 CD GLN D 385 30.097 -21.282 -50.315 1.00 89.93 C +ATOM 11702 OE1 GLN D 385 30.841 -21.580 -51.246 1.00 94.35 O +ATOM 11703 NE2 GLN D 385 29.162 -20.345 -50.417 1.00 94.55 N +ATOM 11704 H GLN D 385 29.348 -24.588 -51.357 1.00 15.00 H +ATOM 11705 HE21 GLN D 385 29.095 -19.892 -51.282 1.00 15.00 H +ATOM 11706 HE22 GLN D 385 28.602 -20.148 -49.641 1.00 15.00 H +ATOM 11707 N VAL D 386 31.352 -25.908 -48.014 1.00 55.02 N +ATOM 11708 CA VAL D 386 31.391 -27.147 -47.240 1.00 44.03 C +ATOM 11709 C VAL D 386 31.274 -26.794 -45.755 1.00 41.46 C +ATOM 11710 O VAL D 386 31.512 -25.636 -45.356 1.00 34.96 O +ATOM 11711 CB VAL D 386 32.682 -27.905 -47.489 1.00 42.01 C +ATOM 11712 CG1 VAL D 386 32.620 -28.598 -48.849 1.00 48.59 C +ATOM 11713 CG2 VAL D 386 33.852 -26.940 -47.429 1.00 32.32 C +ATOM 11714 H VAL D 386 31.891 -25.171 -47.686 1.00 15.00 H +ATOM 11715 N THR D 387 30.945 -27.783 -44.931 1.00 31.05 N +ATOM 11716 CA THR D 387 30.759 -27.505 -43.528 1.00 23.85 C +ATOM 11717 C THR D 387 31.595 -28.278 -42.543 1.00 22.00 C +ATOM 11718 O THR D 387 31.414 -29.477 -42.325 1.00 22.52 O +ATOM 11719 CB THR D 387 29.291 -27.604 -43.173 1.00 31.83 C +ATOM 11720 OG1 THR D 387 28.540 -27.757 -44.384 1.00 25.62 O +ATOM 11721 CG2 THR D 387 28.833 -26.325 -42.479 1.00 32.34 C +ATOM 11722 H THR D 387 30.784 -28.686 -45.262 1.00 15.00 H +ATOM 11723 HG1 THR D 387 27.605 -27.601 -44.225 1.00 15.00 H +ATOM 11724 N LEU D 388 32.535 -27.554 -41.962 1.00 22.62 N +ATOM 11725 CA LEU D 388 33.434 -28.087 -40.965 1.00 28.09 C +ATOM 11726 C LEU D 388 32.695 -28.031 -39.644 1.00 29.63 C +ATOM 11727 O LEU D 388 32.072 -27.021 -39.309 1.00 34.72 O +ATOM 11728 CB LEU D 388 34.696 -27.222 -40.900 1.00 26.97 C +ATOM 11729 CG LEU D 388 35.848 -27.621 -41.827 1.00 16.94 C +ATOM 11730 CD1 LEU D 388 35.396 -28.572 -42.931 1.00 5.21 C +ATOM 11731 CD2 LEU D 388 36.464 -26.363 -42.406 1.00 20.63 C +ATOM 11732 H LEU D 388 32.626 -26.632 -42.239 1.00 15.00 H +ATOM 11733 N THR D 389 32.763 -29.124 -38.900 1.00 28.64 N +ATOM 11734 CA THR D 389 32.094 -29.205 -37.621 1.00 21.84 C +ATOM 11735 C THR D 389 33.064 -29.511 -36.494 1.00 17.90 C +ATOM 11736 O THR D 389 33.861 -30.454 -36.598 1.00 14.62 O +ATOM 11737 CB THR D 389 31.059 -30.320 -37.653 1.00 26.62 C +ATOM 11738 OG1 THR D 389 30.216 -30.164 -38.802 1.00 42.40 O +ATOM 11739 CG2 THR D 389 30.224 -30.302 -36.396 1.00 35.89 C +ATOM 11740 H THR D 389 33.288 -29.898 -39.196 1.00 15.00 H +ATOM 11741 HG1 THR D 389 30.698 -30.385 -39.610 1.00 15.00 H +ATOM 11742 N CYS D 390 33.033 -28.690 -35.449 1.00 10.43 N +ATOM 11743 CA CYS D 390 33.877 -28.922 -34.280 1.00 14.59 C +ATOM 11744 C CYS D 390 32.995 -29.409 -33.133 1.00 16.68 C +ATOM 11745 O CYS D 390 32.099 -28.677 -32.689 1.00 16.05 O +ATOM 11746 CB CYS D 390 34.591 -27.653 -33.839 1.00 9.92 C +ATOM 11747 SG CYS D 390 35.801 -28.028 -32.542 1.00 17.83 S +ATOM 11748 H CYS D 390 32.446 -27.907 -35.462 1.00 15.00 H +ATOM 11749 N MET D 391 33.246 -30.627 -32.656 1.00 9.94 N +ATOM 11750 CA MET D 391 32.451 -31.197 -31.572 1.00 14.64 C +ATOM 11751 C MET D 391 33.149 -31.124 -30.228 1.00 14.62 C +ATOM 11752 O MET D 391 34.265 -31.597 -30.085 1.00 15.96 O +ATOM 11753 CB MET D 391 32.094 -32.652 -31.879 1.00 9.18 C +ATOM 11754 CG MET D 391 31.129 -33.275 -30.874 1.00 2.60 C +ATOM 11755 SD MET D 391 30.465 -34.858 -31.423 1.00 21.11 S +ATOM 11756 CE MET D 391 31.955 -35.703 -31.956 1.00 4.68 C +ATOM 11757 H MET D 391 34.014 -31.125 -33.001 1.00 15.00 H +ATOM 11758 N VAL D 392 32.488 -30.549 -29.236 1.00 15.67 N +ATOM 11759 CA VAL D 392 33.087 -30.453 -27.916 1.00 9.02 C +ATOM 11760 C VAL D 392 32.210 -31.185 -26.915 1.00 12.36 C +ATOM 11761 O VAL D 392 31.039 -30.864 -26.743 1.00 9.48 O +ATOM 11762 CB VAL D 392 33.258 -29.021 -27.501 1.00 2.00 C +ATOM 11763 CG1 VAL D 392 34.002 -28.958 -26.225 1.00 11.53 C +ATOM 11764 CG2 VAL D 392 34.008 -28.290 -28.536 1.00 2.00 C +ATOM 11765 H VAL D 392 31.603 -30.178 -29.391 1.00 15.00 H +ATOM 11766 N THR D 393 32.779 -32.168 -26.236 1.00 13.55 N +ATOM 11767 CA THR D 393 31.998 -32.945 -25.291 1.00 14.42 C +ATOM 11768 C THR D 393 32.606 -33.100 -23.920 1.00 14.80 C +ATOM 11769 O THR D 393 33.731 -32.677 -23.677 1.00 16.21 O +ATOM 11770 CB THR D 393 31.773 -34.350 -25.830 1.00 18.73 C +ATOM 11771 OG1 THR D 393 33.032 -34.939 -26.188 1.00 13.51 O +ATOM 11772 CG2 THR D 393 30.902 -34.293 -27.049 1.00 34.86 C +ATOM 11773 H THR D 393 33.735 -32.367 -26.333 1.00 15.00 H +ATOM 11774 HG1 THR D 393 33.434 -34.416 -26.895 1.00 15.00 H +ATOM 11775 N ASP D 394 31.837 -33.711 -23.029 1.00 19.40 N +ATOM 11776 CA ASP D 394 32.273 -33.994 -21.666 1.00 27.91 C +ATOM 11777 C ASP D 394 33.053 -32.927 -20.928 1.00 22.45 C +ATOM 11778 O ASP D 394 34.115 -33.215 -20.384 1.00 25.60 O +ATOM 11779 CB ASP D 394 33.110 -35.263 -21.648 1.00 38.75 C +ATOM 11780 CG ASP D 394 32.317 -36.479 -21.999 1.00 63.55 C +ATOM 11781 OD1 ASP D 394 31.360 -36.364 -22.801 1.00 70.40 O +ATOM 11782 OD2 ASP D 394 32.655 -37.554 -21.462 1.00 80.68 O +ATOM 11783 H ASP D 394 30.939 -33.987 -23.291 1.00 15.00 H +ATOM 11784 N PHE D 395 32.543 -31.712 -20.854 1.00 2.34 N +ATOM 11785 CA PHE D 395 33.300 -30.721 -20.136 1.00 2.00 C +ATOM 11786 C PHE D 395 32.534 -30.073 -18.997 1.00 6.58 C +ATOM 11787 O PHE D 395 31.312 -30.063 -18.985 1.00 8.44 O +ATOM 11788 CB PHE D 395 33.871 -29.675 -21.103 1.00 15.84 C +ATOM 11789 CG PHE D 395 32.832 -28.855 -21.819 1.00 16.72 C +ATOM 11790 CD1 PHE D 395 32.202 -27.782 -21.178 1.00 17.14 C +ATOM 11791 CD2 PHE D 395 32.511 -29.131 -23.142 1.00 15.94 C +ATOM 11792 CE1 PHE D 395 31.269 -26.998 -21.841 1.00 4.88 C +ATOM 11793 CE2 PHE D 395 31.588 -28.362 -23.816 1.00 12.17 C +ATOM 11794 CZ PHE D 395 30.962 -27.287 -23.161 1.00 20.58 C +ATOM 11795 H PHE D 395 31.699 -31.466 -21.280 1.00 15.00 H +ATOM 11796 N MET D 396 33.263 -29.566 -18.016 1.00 11.95 N +ATOM 11797 CA MET D 396 32.677 -28.903 -16.862 1.00 10.25 C +ATOM 11798 C MET D 396 33.758 -27.941 -16.377 1.00 12.01 C +ATOM 11799 O MET D 396 34.953 -28.254 -16.461 1.00 3.06 O +ATOM 11800 CB MET D 396 32.370 -29.916 -15.752 1.00 22.05 C +ATOM 11801 CG MET D 396 31.386 -31.029 -16.101 1.00 31.25 C +ATOM 11802 SD MET D 396 31.375 -32.432 -14.913 1.00 37.86 S +ATOM 11803 CE MET D 396 30.336 -31.722 -13.639 1.00 33.41 C +ATOM 11804 H MET D 396 34.239 -29.667 -18.047 1.00 15.00 H +ATOM 11805 N PRO D 397 33.371 -26.716 -15.993 1.00 8.39 N +ATOM 11806 CA PRO D 397 31.996 -26.209 -16.002 1.00 17.77 C +ATOM 11807 C PRO D 397 31.529 -25.863 -17.420 1.00 25.29 C +ATOM 11808 O PRO D 397 32.265 -26.047 -18.387 1.00 33.18 O +ATOM 11809 CB PRO D 397 32.098 -24.951 -15.141 1.00 12.97 C +ATOM 11810 CG PRO D 397 33.446 -24.447 -15.475 1.00 13.71 C +ATOM 11811 CD PRO D 397 34.284 -25.713 -15.419 1.00 12.46 C +ATOM 11812 N GLU D 398 30.300 -25.371 -17.524 1.00 27.19 N +ATOM 11813 CA GLU D 398 29.701 -24.992 -18.797 1.00 29.15 C +ATOM 11814 C GLU D 398 30.416 -23.830 -19.490 1.00 27.53 C +ATOM 11815 O GLU D 398 30.415 -23.755 -20.713 1.00 25.53 O +ATOM 11816 CB GLU D 398 28.224 -24.655 -18.580 1.00 42.10 C +ATOM 11817 CG GLU D 398 27.962 -23.731 -17.385 1.00 66.63 C +ATOM 11818 CD GLU D 398 26.484 -23.643 -16.991 1.00 84.94 C +ATOM 11819 OE1 GLU D 398 25.664 -23.139 -17.799 1.00 91.37 O +ATOM 11820 OE2 GLU D 398 26.147 -24.066 -15.859 1.00 88.96 O +ATOM 11821 H GLU D 398 29.774 -25.283 -16.707 1.00 15.00 H +ATOM 11822 N ASP D 399 31.019 -22.930 -18.707 1.00 21.74 N +ATOM 11823 CA ASP D 399 31.733 -21.769 -19.247 1.00 8.30 C +ATOM 11824 C ASP D 399 32.893 -22.198 -20.145 1.00 11.26 C +ATOM 11825 O ASP D 399 33.838 -22.849 -19.695 1.00 19.02 O +ATOM 11826 CB ASP D 399 32.274 -20.891 -18.115 1.00 8.17 C +ATOM 11827 CG ASP D 399 31.176 -20.190 -17.319 1.00 34.61 C +ATOM 11828 OD1 ASP D 399 30.626 -19.170 -17.808 1.00 36.08 O +ATOM 11829 OD2 ASP D 399 30.890 -20.637 -16.182 1.00 37.78 O +ATOM 11830 H ASP D 399 31.000 -23.060 -17.744 1.00 15.00 H +ATOM 11831 N ILE D 400 32.837 -21.801 -21.405 1.00 11.59 N +ATOM 11832 CA ILE D 400 33.874 -22.152 -22.364 1.00 7.43 C +ATOM 11833 C ILE D 400 33.903 -21.100 -23.463 1.00 10.91 C +ATOM 11834 O ILE D 400 33.071 -20.193 -23.490 1.00 8.74 O +ATOM 11835 CB ILE D 400 33.571 -23.515 -23.032 1.00 4.08 C +ATOM 11836 CG1 ILE D 400 34.794 -24.020 -23.824 1.00 7.84 C +ATOM 11837 CG2 ILE D 400 32.351 -23.374 -23.940 1.00 2.00 C +ATOM 11838 CD1 ILE D 400 34.731 -25.483 -24.269 1.00 2.00 C +ATOM 11839 H ILE D 400 32.091 -21.256 -21.733 1.00 15.00 H +ATOM 11840 N TYR D 401 34.880 -21.227 -24.352 1.00 11.27 N +ATOM 11841 CA TYR D 401 35.041 -20.345 -25.487 1.00 9.99 C +ATOM 11842 C TYR D 401 35.791 -21.095 -26.562 1.00 11.89 C +ATOM 11843 O TYR D 401 36.958 -21.421 -26.384 1.00 16.79 O +ATOM 11844 CB TYR D 401 35.855 -19.121 -25.132 1.00 3.54 C +ATOM 11845 CG TYR D 401 36.275 -18.335 -26.347 1.00 12.54 C +ATOM 11846 CD1 TYR D 401 37.359 -18.732 -27.135 1.00 25.89 C +ATOM 11847 CD2 TYR D 401 35.608 -17.183 -26.698 1.00 23.91 C +ATOM 11848 CE1 TYR D 401 37.760 -17.987 -28.240 1.00 27.88 C +ATOM 11849 CE2 TYR D 401 36.001 -16.434 -27.791 1.00 23.44 C +ATOM 11850 CZ TYR D 401 37.070 -16.833 -28.554 1.00 29.63 C +ATOM 11851 OH TYR D 401 37.431 -16.044 -29.615 1.00 42.96 O +ATOM 11852 H TYR D 401 35.596 -21.884 -24.228 1.00 15.00 H +ATOM 11853 HH TYR D 401 36.836 -15.292 -29.687 1.00 15.00 H +ATOM 11854 N VAL D 402 35.155 -21.260 -27.711 1.00 7.79 N +ATOM 11855 CA VAL D 402 35.760 -21.944 -28.832 1.00 9.58 C +ATOM 11856 C VAL D 402 35.658 -21.053 -30.055 1.00 16.94 C +ATOM 11857 O VAL D 402 34.683 -20.325 -30.203 1.00 25.58 O +ATOM 11858 CB VAL D 402 35.067 -23.296 -29.092 1.00 16.62 C +ATOM 11859 CG1 VAL D 402 33.602 -23.191 -28.739 1.00 9.06 C +ATOM 11860 CG2 VAL D 402 35.253 -23.740 -30.563 1.00 4.11 C +ATOM 11861 H VAL D 402 34.264 -20.878 -27.850 1.00 15.00 H +ATOM 11862 N GLU D 405 36.687 -21.084 -30.898 1.00 19.40 N +ATOM 11863 CA GLU D 405 36.729 -20.290 -32.121 1.00 13.16 C +ATOM 11864 C GLU D 405 37.437 -21.128 -33.168 1.00 12.91 C +ATOM 11865 O GLU D 405 37.969 -22.186 -32.842 1.00 27.51 O +ATOM 11866 CB GLU D 405 37.506 -18.997 -31.897 1.00 11.81 C +ATOM 11867 CG GLU D 405 38.999 -19.186 -31.735 1.00 16.37 C +ATOM 11868 CD GLU D 405 39.761 -17.876 -31.546 1.00 24.09 C +ATOM 11869 OE1 GLU D 405 39.262 -16.962 -30.870 1.00 15.65 O +ATOM 11870 OE2 GLU D 405 40.893 -17.766 -32.060 1.00 38.19 O +ATOM 11871 H GLU D 405 37.447 -21.677 -30.706 1.00 15.00 H +ATOM 11872 N TRP D 406 37.371 -20.712 -34.430 1.00 13.18 N +ATOM 11873 CA TRP D 406 38.055 -21.429 -35.514 1.00 10.17 C +ATOM 11874 C TRP D 406 39.203 -20.546 -35.955 1.00 12.97 C +ATOM 11875 O TRP D 406 39.120 -19.319 -35.862 1.00 12.30 O +ATOM 11876 CB TRP D 406 37.139 -21.701 -36.688 1.00 6.21 C +ATOM 11877 CG TRP D 406 36.206 -22.843 -36.484 1.00 9.85 C +ATOM 11878 CD1 TRP D 406 34.974 -22.799 -35.907 1.00 3.70 C +ATOM 11879 CD2 TRP D 406 36.425 -24.207 -36.868 1.00 3.78 C +ATOM 11880 NE1 TRP D 406 34.406 -24.053 -35.904 1.00 4.60 N +ATOM 11881 CE2 TRP D 406 35.278 -24.937 -36.486 1.00 13.18 C +ATOM 11882 CE3 TRP D 406 37.478 -24.883 -37.486 1.00 2.00 C +ATOM 11883 CZ2 TRP D 406 35.160 -26.319 -36.703 1.00 15.62 C +ATOM 11884 CZ3 TRP D 406 37.362 -26.261 -37.701 1.00 2.15 C +ATOM 11885 CH2 TRP D 406 36.212 -26.959 -37.308 1.00 10.05 C +ATOM 11886 H TRP D 406 36.898 -19.888 -34.656 1.00 15.00 H +ATOM 11887 HE1 TRP D 406 33.528 -24.260 -35.514 1.00 15.00 H +ATOM 11888 N THR D 407 40.269 -21.155 -36.446 1.00 21.24 N +ATOM 11889 CA THR D 407 41.441 -20.395 -36.836 1.00 26.98 C +ATOM 11890 C THR D 407 42.009 -20.944 -38.131 1.00 34.61 C +ATOM 11891 O THR D 407 41.909 -22.142 -38.401 1.00 31.56 O +ATOM 11892 CB THR D 407 42.500 -20.476 -35.710 1.00 31.79 C +ATOM 11893 OG1 THR D 407 43.579 -19.581 -35.984 1.00 50.27 O +ATOM 11894 CG2 THR D 407 43.051 -21.900 -35.575 1.00 29.00 C +ATOM 11895 H THR D 407 40.280 -22.125 -36.583 1.00 15.00 H +ATOM 11896 HG1 THR D 407 44.080 -19.421 -35.173 1.00 15.00 H +ATOM 11897 N ASN D 408 42.603 -20.063 -38.927 1.00 54.31 N +ATOM 11898 CA ASN D 408 43.197 -20.435 -40.208 1.00 71.66 C +ATOM 11899 C ASN D 408 44.600 -19.854 -40.295 1.00 82.19 C +ATOM 11900 O ASN D 408 44.766 -18.638 -40.368 1.00 76.26 O +ATOM 11901 CB ASN D 408 42.349 -19.889 -41.362 1.00 69.08 C +ATOM 11902 CG ASN D 408 42.952 -20.181 -42.719 1.00 65.18 C +ATOM 11903 OD1 ASN D 408 43.469 -21.274 -42.963 1.00 63.26 O +ATOM 11904 ND2 ASN D 408 42.899 -19.201 -43.609 1.00 62.57 N +ATOM 11905 H ASN D 408 42.670 -19.129 -38.632 1.00 15.00 H +ATOM 11906 HD21 ASN D 408 43.261 -19.404 -44.499 1.00 15.00 H +ATOM 11907 HD22 ASN D 408 42.497 -18.349 -43.350 1.00 15.00 H +ATOM 11908 N ASN D 410 45.606 -20.722 -40.259 1.00 99.24 N +ATOM 11909 CA ASN D 410 47.000 -20.288 -40.340 1.00119.17 C +ATOM 11910 C ASN D 410 47.345 -19.202 -39.315 1.00131.20 C +ATOM 11911 O ASN D 410 48.166 -18.325 -39.588 1.00135.47 O +ATOM 11912 CB ASN D 410 47.322 -19.770 -41.751 1.00123.47 C +ATOM 11913 CG ASN D 410 47.624 -20.883 -42.733 1.00127.49 C +ATOM 11914 OD1 ASN D 410 48.761 -21.344 -42.835 1.00130.22 O +ATOM 11915 ND2 ASN D 410 46.610 -21.314 -43.473 1.00132.60 N +ATOM 11916 H ASN D 410 45.365 -21.671 -40.180 1.00 15.00 H +ATOM 11917 HD21 ASN D 410 46.816 -22.005 -44.132 1.00 15.00 H +ATOM 11918 HD22 ASN D 410 45.710 -20.932 -43.361 1.00 15.00 H +ATOM 11919 N GLY D 411 46.704 -19.247 -38.149 1.00141.78 N +ATOM 11920 CA GLY D 411 46.976 -18.259 -37.117 1.00153.16 C +ATOM 11921 C GLY D 411 45.881 -17.225 -36.908 1.00161.24 C +ATOM 11922 O GLY D 411 45.495 -16.954 -35.768 1.00161.14 O +ATOM 11923 H GLY D 411 46.013 -19.916 -37.985 1.00 15.00 H +ATOM 11924 N LYS D 414 45.377 -16.648 -37.996 1.00167.48 N +ATOM 11925 CA LYS D 414 44.326 -15.632 -37.916 1.00171.20 C +ATOM 11926 C LYS D 414 42.969 -16.221 -37.513 1.00172.78 C +ATOM 11927 O LYS D 414 42.600 -17.313 -37.960 1.00176.01 O +ATOM 11928 CB LYS D 414 44.197 -14.881 -39.255 1.00170.69 C +ATOM 11929 CG LYS D 414 43.762 -15.747 -40.442 1.00171.65 C +ATOM 11930 CD LYS D 414 43.687 -14.959 -41.745 1.00169.20 C +ATOM 11931 CE LYS D 414 43.284 -15.859 -42.907 1.00166.48 C +ATOM 11932 NZ LYS D 414 43.258 -15.133 -44.207 1.00166.91 N +ATOM 11933 H LYS D 414 45.698 -16.938 -38.875 1.00 15.00 H +ATOM 11934 HZ1 LYS D 414 42.578 -14.348 -44.154 1.00 15.00 H +ATOM 11935 HZ2 LYS D 414 44.207 -14.757 -44.413 1.00 15.00 H +ATOM 11936 HZ3 LYS D 414 42.973 -15.785 -44.966 1.00 15.00 H +ATOM 11937 N THR D 415 42.251 -15.504 -36.646 1.00170.95 N +ATOM 11938 CA THR D 415 40.923 -15.914 -36.180 1.00165.10 C +ATOM 11939 C THR D 415 39.994 -15.959 -37.402 1.00156.87 C +ATOM 11940 O THR D 415 39.720 -14.925 -38.019 1.00157.72 O +ATOM 11941 CB THR D 415 40.354 -14.893 -35.144 1.00169.50 C +ATOM 11942 OG1 THR D 415 41.322 -14.655 -34.111 1.00172.07 O +ATOM 11943 CG2 THR D 415 39.066 -15.417 -34.512 1.00169.75 C +ATOM 11944 H THR D 415 42.609 -14.667 -36.289 1.00 15.00 H +ATOM 11945 HG1 THR D 415 41.473 -15.481 -33.641 1.00 15.00 H +ATOM 11946 N GLU D 416 39.542 -17.157 -37.759 1.00144.56 N +ATOM 11947 CA GLU D 416 38.670 -17.342 -38.915 1.00130.26 C +ATOM 11948 C GLU D 416 37.307 -16.689 -38.728 1.00121.58 C +ATOM 11949 O GLU D 416 36.826 -16.534 -37.608 1.00122.99 O +ATOM 11950 CB GLU D 416 38.507 -18.837 -39.216 1.00130.32 C +ATOM 11951 CG GLU D 416 37.563 -19.177 -40.365 1.00130.00 C +ATOM 11952 CD GLU D 416 37.994 -18.583 -41.691 1.00133.57 C +ATOM 11953 OE1 GLU D 416 39.149 -18.819 -42.109 1.00134.46 O +ATOM 11954 OE2 GLU D 416 37.171 -17.884 -42.320 1.00137.18 O +ATOM 11955 H GLU D 416 39.772 -17.925 -37.200 1.00 15.00 H +ATOM 11956 N LEU D 417 36.715 -16.257 -39.832 1.00109.33 N +ATOM 11957 CA LEU D 417 35.402 -15.637 -39.800 1.00 98.04 C +ATOM 11958 C LEU D 417 34.432 -16.689 -40.336 1.00 90.62 C +ATOM 11959 O LEU D 417 34.858 -17.724 -40.851 1.00 86.93 O +ATOM 11960 CB LEU D 417 35.397 -14.383 -40.679 1.00 97.41 C +ATOM 11961 CG LEU D 417 34.294 -13.343 -40.477 1.00 93.36 C +ATOM 11962 CD1 LEU D 417 34.220 -12.937 -39.012 1.00 89.55 C +ATOM 11963 CD2 LEU D 417 34.573 -12.133 -41.362 1.00 88.06 C +ATOM 11964 H LEU D 417 37.163 -16.379 -40.690 1.00 15.00 H +ATOM 11965 N ASN D 418 33.137 -16.453 -40.169 1.00 82.97 N +ATOM 11966 CA ASN D 418 32.121 -17.380 -40.658 1.00 79.39 C +ATOM 11967 C ASN D 418 31.992 -18.724 -39.952 1.00 65.22 C +ATOM 11968 O ASN D 418 31.872 -19.768 -40.598 1.00 66.41 O +ATOM 11969 CB ASN D 418 32.263 -17.601 -42.172 1.00 98.43 C +ATOM 11970 CG ASN D 418 31.509 -16.565 -42.986 1.00114.25 C +ATOM 11971 OD1 ASN D 418 31.346 -15.418 -42.559 1.00123.44 O +ATOM 11972 ND2 ASN D 418 31.028 -16.967 -44.160 1.00117.68 N +ATOM 11973 H ASN D 418 32.851 -15.636 -39.720 1.00 15.00 H +ATOM 11974 HD21 ASN D 418 30.525 -16.327 -44.696 1.00 15.00 H +ATOM 11975 HD22 ASN D 418 31.211 -17.894 -44.414 1.00 15.00 H +ATOM 11976 N TYR D 419 32.047 -18.705 -38.630 1.00 45.46 N +ATOM 11977 CA TYR D 419 31.857 -19.918 -37.859 1.00 27.29 C +ATOM 11978 C TYR D 419 30.766 -19.525 -36.899 1.00 22.39 C +ATOM 11979 O TYR D 419 30.665 -18.351 -36.538 1.00 25.70 O +ATOM 11980 CB TYR D 419 33.123 -20.344 -37.089 1.00 26.45 C +ATOM 11981 CG TYR D 419 33.703 -19.337 -36.108 1.00 4.82 C +ATOM 11982 CD1 TYR D 419 33.039 -18.993 -34.935 1.00 7.87 C +ATOM 11983 CD2 TYR D 419 34.913 -18.707 -36.373 1.00 6.81 C +ATOM 11984 CE1 TYR D 419 33.557 -18.041 -34.056 1.00 2.00 C +ATOM 11985 CE2 TYR D 419 35.449 -17.755 -35.498 1.00 2.48 C +ATOM 11986 CZ TYR D 419 34.765 -17.429 -34.349 1.00 6.57 C +ATOM 11987 OH TYR D 419 35.296 -16.479 -33.504 1.00 18.19 O +ATOM 11988 H TYR D 419 32.188 -17.869 -38.141 1.00 15.00 H +ATOM 11989 HH TYR D 419 34.765 -16.426 -32.709 1.00 15.00 H +ATOM 11990 N LYS D 420 29.898 -20.457 -36.545 1.00 16.80 N +ATOM 11991 CA LYS D 420 28.848 -20.145 -35.581 1.00 17.05 C +ATOM 11992 C LYS D 420 28.866 -21.181 -34.474 1.00 14.00 C +ATOM 11993 O LYS D 420 29.125 -22.371 -34.722 1.00 14.07 O +ATOM 11994 CB LYS D 420 27.473 -20.046 -36.236 1.00 14.33 C +ATOM 11995 CG LYS D 420 27.262 -18.750 -36.983 1.00 9.67 C +ATOM 11996 CD LYS D 420 27.182 -17.570 -36.045 1.00 10.12 C +ATOM 11997 CE LYS D 420 27.164 -16.264 -36.827 1.00 29.15 C +ATOM 11998 NZ LYS D 420 27.339 -15.063 -35.957 1.00 40.65 N +ATOM 11999 H LYS D 420 29.978 -21.366 -36.897 1.00 15.00 H +ATOM 12000 HZ1 LYS D 420 26.586 -15.018 -35.240 1.00 15.00 H +ATOM 12001 HZ2 LYS D 420 28.256 -15.140 -35.476 1.00 15.00 H +ATOM 12002 HZ3 LYS D 420 27.324 -14.198 -36.531 1.00 15.00 H +ATOM 12003 N ASN D 421 28.589 -20.727 -33.259 1.00 2.10 N +ATOM 12004 CA ASN D 421 28.638 -21.596 -32.097 1.00 8.29 C +ATOM 12005 C ASN D 421 27.323 -21.867 -31.449 1.00 9.69 C +ATOM 12006 O ASN D 421 26.613 -20.926 -31.098 1.00 10.12 O +ATOM 12007 CB ASN D 421 29.505 -20.961 -31.011 1.00 7.29 C +ATOM 12008 CG ASN D 421 30.980 -21.049 -31.307 1.00 9.81 C +ATOM 12009 OD1 ASN D 421 31.416 -21.866 -32.123 1.00 2.00 O +ATOM 12010 ND2 ASN D 421 31.768 -20.219 -30.623 1.00 6.35 N +ATOM 12011 H ASN D 421 28.308 -19.802 -33.127 1.00 15.00 H +ATOM 12012 HD21 ASN D 421 32.739 -20.269 -30.786 1.00 15.00 H +ATOM 12013 HD22 ASN D 421 31.353 -19.607 -29.983 1.00 15.00 H +ATOM 12014 N THR D 422 27.032 -23.143 -31.226 1.00 2.00 N +ATOM 12015 CA THR D 422 25.837 -23.526 -30.515 1.00 2.00 C +ATOM 12016 C THR D 422 26.049 -23.134 -29.056 1.00 2.00 C +ATOM 12017 O THR D 422 27.173 -22.872 -28.618 1.00 5.38 O +ATOM 12018 CB THR D 422 25.671 -25.027 -30.547 1.00 13.88 C +ATOM 12019 OG1 THR D 422 26.894 -25.628 -30.974 1.00 19.53 O +ATOM 12020 CG2 THR D 422 24.576 -25.420 -31.503 1.00 34.02 C +ATOM 12021 H THR D 422 27.644 -23.830 -31.567 1.00 15.00 H +ATOM 12022 HG1 THR D 422 27.628 -25.232 -30.480 1.00 15.00 H +ATOM 12023 N GLU D 423 24.965 -23.013 -28.317 1.00 5.07 N +ATOM 12024 CA GLU D 423 25.052 -22.700 -26.896 1.00 5.85 C +ATOM 12025 C GLU D 423 25.363 -24.083 -26.333 1.00 15.67 C +ATOM 12026 O GLU D 423 25.018 -25.093 -26.956 1.00 19.71 O +ATOM 12027 CB GLU D 423 23.701 -22.224 -26.380 1.00 14.95 C +ATOM 12028 CG GLU D 423 23.477 -20.746 -26.511 1.00 36.23 C +ATOM 12029 CD GLU D 423 24.332 -19.945 -25.556 1.00 48.37 C +ATOM 12030 OE1 GLU D 423 24.082 -20.017 -24.332 1.00 56.36 O +ATOM 12031 OE2 GLU D 423 25.248 -19.240 -26.028 1.00 51.83 O +ATOM 12032 H GLU D 423 24.090 -23.157 -28.724 1.00 15.00 H +ATOM 12033 N PRO D 424 26.002 -24.159 -25.159 1.00 11.43 N +ATOM 12034 CA PRO D 424 26.346 -25.451 -24.559 1.00 5.96 C +ATOM 12035 C PRO D 424 25.129 -26.142 -24.007 1.00 8.88 C +ATOM 12036 O PRO D 424 24.293 -25.518 -23.345 1.00 11.23 O +ATOM 12037 CB PRO D 424 27.287 -25.066 -23.421 1.00 6.42 C +ATOM 12038 CG PRO D 424 27.560 -23.578 -23.625 1.00 10.22 C +ATOM 12039 CD PRO D 424 26.314 -23.067 -24.235 1.00 2.94 C +ATOM 12040 N VAL D 425 25.039 -27.439 -24.238 1.00 6.49 N +ATOM 12041 CA VAL D 425 23.896 -28.186 -23.731 1.00 16.36 C +ATOM 12042 C VAL D 425 24.336 -29.225 -22.724 1.00 13.86 C +ATOM 12043 O VAL D 425 25.420 -29.796 -22.839 1.00 9.72 O +ATOM 12044 CB VAL D 425 23.130 -28.917 -24.834 1.00 10.25 C +ATOM 12045 CG1 VAL D 425 21.648 -28.605 -24.709 1.00 23.95 C +ATOM 12046 CG2 VAL D 425 23.669 -28.538 -26.193 1.00 19.63 C +ATOM 12047 H VAL D 425 25.743 -27.905 -24.732 1.00 15.00 H +ATOM 12048 N LEU D 426 23.472 -29.476 -21.749 1.00 15.46 N +ATOM 12049 CA LEU D 426 23.750 -30.444 -20.714 1.00 12.77 C +ATOM 12050 C LEU D 426 23.418 -31.848 -21.178 1.00 14.49 C +ATOM 12051 O LEU D 426 22.253 -32.186 -21.379 1.00 15.87 O +ATOM 12052 CB LEU D 426 22.978 -30.108 -19.450 1.00 9.56 C +ATOM 12053 CG LEU D 426 23.497 -30.842 -18.227 1.00 11.24 C +ATOM 12054 CD1 LEU D 426 23.683 -29.847 -17.118 1.00 13.79 C +ATOM 12055 CD2 LEU D 426 22.530 -31.933 -17.835 1.00 16.64 C +ATOM 12056 H LEU D 426 22.611 -29.013 -21.745 1.00 15.00 H +ATOM 12057 N ASP D 427 24.470 -32.636 -21.377 1.00 11.09 N +ATOM 12058 CA ASP D 427 24.385 -34.022 -21.804 1.00 6.86 C +ATOM 12059 C ASP D 427 23.787 -34.835 -20.663 1.00 13.07 C +ATOM 12060 O ASP D 427 23.612 -34.329 -19.559 1.00 9.69 O +ATOM 12061 CB ASP D 427 25.795 -34.532 -22.086 1.00 5.63 C +ATOM 12062 CG ASP D 427 25.833 -35.597 -23.149 1.00 7.26 C +ATOM 12063 OD1 ASP D 427 24.958 -36.488 -23.185 1.00 14.66 O +ATOM 12064 OD2 ASP D 427 26.770 -35.545 -23.960 1.00 15.53 O +ATOM 12065 H ASP D 427 25.344 -32.238 -21.222 1.00 15.00 H +ATOM 12066 N SER D 428 23.536 -36.112 -20.917 1.00 29.75 N +ATOM 12067 CA SER D 428 22.968 -37.010 -19.918 1.00 42.52 C +ATOM 12068 C SER D 428 23.796 -37.118 -18.640 1.00 47.00 C +ATOM 12069 O SER D 428 23.268 -36.938 -17.543 1.00 55.22 O +ATOM 12070 CB SER D 428 22.762 -38.404 -20.525 1.00 51.62 C +ATOM 12071 OG SER D 428 23.834 -38.756 -21.392 1.00 61.15 O +ATOM 12072 H SER D 428 23.663 -36.508 -21.786 1.00 15.00 H +ATOM 12073 HG SER D 428 23.649 -39.624 -21.773 1.00 15.00 H +ATOM 12074 N ASP D 430 25.097 -37.360 -18.788 1.00 42.13 N +ATOM 12075 CA ASP D 430 26.000 -37.520 -17.647 1.00 35.93 C +ATOM 12076 C ASP D 430 26.439 -36.253 -16.917 1.00 30.98 C +ATOM 12077 O ASP D 430 27.580 -36.166 -16.463 1.00 34.77 O +ATOM 12078 CB ASP D 430 27.246 -38.312 -18.067 1.00 49.78 C +ATOM 12079 CG ASP D 430 28.171 -37.520 -18.975 1.00 54.27 C +ATOM 12080 OD1 ASP D 430 27.697 -36.585 -19.656 1.00 58.81 O +ATOM 12081 OD2 ASP D 430 29.381 -37.831 -18.996 1.00 74.89 O +ATOM 12082 H ASP D 430 25.452 -37.435 -19.695 1.00 15.00 H +ATOM 12083 N GLY D 433 25.558 -35.271 -16.799 1.00 23.28 N +ATOM 12084 CA GLY D 433 25.930 -34.057 -16.101 1.00 11.92 C +ATOM 12085 C GLY D 433 26.970 -33.181 -16.780 1.00 14.46 C +ATOM 12086 O GLY D 433 27.215 -32.072 -16.304 1.00 18.39 O +ATOM 12087 H GLY D 433 24.649 -35.349 -17.169 1.00 15.00 H +ATOM 12088 N SER D 434 27.613 -33.665 -17.844 1.00 2.00 N +ATOM 12089 CA SER D 434 28.601 -32.859 -18.549 1.00 7.95 C +ATOM 12090 C SER D 434 27.925 -32.057 -19.677 1.00 14.29 C +ATOM 12091 O SER D 434 26.771 -32.315 -20.031 1.00 10.32 O +ATOM 12092 CB SER D 434 29.693 -33.746 -19.144 1.00 7.90 C +ATOM 12093 OG SER D 434 29.182 -34.531 -20.205 1.00 8.54 O +ATOM 12094 H SER D 434 27.455 -34.565 -18.175 1.00 15.00 H +ATOM 12095 HG SER D 434 28.721 -33.991 -20.857 1.00 15.00 H +ATOM 12096 N TYR D 435 28.662 -31.109 -20.250 1.00 11.74 N +ATOM 12097 CA TYR D 435 28.174 -30.285 -21.344 1.00 2.00 C +ATOM 12098 C TYR D 435 28.854 -30.592 -22.674 1.00 10.96 C +ATOM 12099 O TYR D 435 29.979 -31.106 -22.715 1.00 21.44 O +ATOM 12100 CB TYR D 435 28.412 -28.827 -21.024 1.00 2.00 C +ATOM 12101 CG TYR D 435 27.584 -28.320 -19.886 1.00 10.69 C +ATOM 12102 CD1 TYR D 435 28.041 -28.394 -18.579 1.00 11.99 C +ATOM 12103 CD2 TYR D 435 26.341 -27.757 -20.114 1.00 19.94 C +ATOM 12104 CE1 TYR D 435 27.277 -27.922 -17.525 1.00 18.89 C +ATOM 12105 CE2 TYR D 435 25.565 -27.279 -19.071 1.00 19.27 C +ATOM 12106 CZ TYR D 435 26.032 -27.365 -17.778 1.00 20.80 C +ATOM 12107 OH TYR D 435 25.234 -26.929 -16.738 1.00 23.68 O +ATOM 12108 H TYR D 435 29.573 -30.932 -19.919 1.00 15.00 H +ATOM 12109 HH TYR D 435 25.573 -27.276 -15.909 1.00 15.00 H +ATOM 12110 N PHE D 436 28.150 -30.316 -23.764 1.00 10.35 N +ATOM 12111 CA PHE D 436 28.706 -30.506 -25.089 1.00 13.08 C +ATOM 12112 C PHE D 436 28.257 -29.324 -25.905 1.00 17.53 C +ATOM 12113 O PHE D 436 27.385 -28.562 -25.463 1.00 24.10 O +ATOM 12114 CB PHE D 436 28.213 -31.786 -25.731 1.00 16.19 C +ATOM 12115 CG PHE D 436 26.787 -31.740 -26.157 1.00 21.98 C +ATOM 12116 CD1 PHE D 436 25.770 -32.051 -25.263 1.00 31.42 C +ATOM 12117 CD2 PHE D 436 26.457 -31.467 -27.477 1.00 28.84 C +ATOM 12118 CE1 PHE D 436 24.439 -32.104 -25.676 1.00 25.89 C +ATOM 12119 CE2 PHE D 436 25.128 -31.517 -27.905 1.00 30.04 C +ATOM 12120 CZ PHE D 436 24.118 -31.839 -27.000 1.00 17.56 C +ATOM 12121 H PHE D 436 27.234 -29.960 -23.702 1.00 15.00 H +ATOM 12122 N MET D 437 28.853 -29.166 -27.084 1.00 16.30 N +ATOM 12123 CA MET D 437 28.526 -28.064 -27.978 1.00 5.60 C +ATOM 12124 C MET D 437 29.308 -28.190 -29.262 1.00 7.18 C +ATOM 12125 O MET D 437 30.370 -28.813 -29.287 1.00 5.59 O +ATOM 12126 CB MET D 437 28.866 -26.755 -27.315 1.00 2.00 C +ATOM 12127 CG MET D 437 30.324 -26.596 -27.092 1.00 12.13 C +ATOM 12128 SD MET D 437 30.921 -25.430 -28.244 1.00 19.34 S +ATOM 12129 CE MET D 437 30.612 -23.937 -27.286 1.00 9.74 C +ATOM 12130 H MET D 437 29.560 -29.786 -27.362 1.00 15.00 H +ATOM 12131 N TYR D 438 28.771 -27.601 -30.323 1.00 9.91 N +ATOM 12132 CA TYR D 438 29.386 -27.653 -31.630 1.00 7.49 C +ATOM 12133 C TYR D 438 29.709 -26.270 -32.171 1.00 12.86 C +ATOM 12134 O TYR D 438 29.128 -25.271 -31.739 1.00 22.70 O +ATOM 12135 CB TYR D 438 28.428 -28.320 -32.590 1.00 2.00 C +ATOM 12136 CG TYR D 438 28.114 -29.770 -32.325 1.00 2.00 C +ATOM 12137 CD1 TYR D 438 27.127 -30.147 -31.416 1.00 2.00 C +ATOM 12138 CD2 TYR D 438 28.722 -30.763 -33.075 1.00 2.00 C +ATOM 12139 CE1 TYR D 438 26.751 -31.485 -31.281 1.00 2.00 C +ATOM 12140 CE2 TYR D 438 28.358 -32.089 -32.949 1.00 2.00 C +ATOM 12141 CZ TYR D 438 27.380 -32.447 -32.066 1.00 2.00 C +ATOM 12142 OH TYR D 438 27.020 -33.770 -32.005 1.00 7.69 O +ATOM 12143 H TYR D 438 27.916 -27.130 -30.247 1.00 15.00 H +ATOM 12144 HH TYR D 438 27.574 -34.288 -32.609 1.00 15.00 H +ATOM 12145 N SER D 439 30.634 -26.212 -33.122 1.00 14.70 N +ATOM 12146 CA SER D 439 31.005 -24.950 -33.753 1.00 12.49 C +ATOM 12147 C SER D 439 31.135 -25.276 -35.216 1.00 16.63 C +ATOM 12148 O SER D 439 32.025 -26.034 -35.616 1.00 20.57 O +ATOM 12149 CB SER D 439 32.329 -24.435 -33.233 1.00 4.22 C +ATOM 12150 OG SER D 439 32.700 -23.288 -33.961 1.00 8.24 O +ATOM 12151 H SER D 439 31.098 -27.029 -33.395 1.00 15.00 H +ATOM 12152 HG SER D 439 32.125 -22.565 -33.679 1.00 15.00 H +ATOM 12153 N LYS D 440 30.223 -24.731 -36.005 1.00 19.32 N +ATOM 12154 CA LYS D 440 30.187 -24.990 -37.431 1.00 16.07 C +ATOM 12155 C LYS D 440 30.946 -23.919 -38.186 1.00 20.15 C +ATOM 12156 O LYS D 440 30.915 -22.735 -37.827 1.00 15.21 O +ATOM 12157 CB LYS D 440 28.722 -25.091 -37.877 1.00 21.55 C +ATOM 12158 CG LYS D 440 28.415 -24.794 -39.327 1.00 28.51 C +ATOM 12159 CD LYS D 440 26.900 -24.745 -39.572 1.00 20.38 C +ATOM 12160 CE LYS D 440 26.582 -23.937 -40.824 1.00 9.88 C +ATOM 12161 NZ LYS D 440 27.155 -22.558 -40.689 1.00 12.28 N +ATOM 12162 H LYS D 440 29.581 -24.098 -35.622 1.00 15.00 H +ATOM 12163 HZ1 LYS D 440 26.741 -22.102 -39.849 1.00 15.00 H +ATOM 12164 HZ2 LYS D 440 28.187 -22.607 -40.571 1.00 15.00 H +ATOM 12165 HZ3 LYS D 440 26.919 -22.000 -41.534 1.00 15.00 H +ATOM 12166 N LEU D 441 31.678 -24.357 -39.198 1.00 19.78 N +ATOM 12167 CA LEU D 441 32.447 -23.457 -40.027 1.00 25.22 C +ATOM 12168 C LEU D 441 32.126 -23.763 -41.473 1.00 33.74 C +ATOM 12169 O LEU D 441 32.245 -24.912 -41.920 1.00 26.15 O +ATOM 12170 CB LEU D 441 33.933 -23.646 -39.815 1.00 30.29 C +ATOM 12171 CG LEU D 441 34.722 -22.629 -40.634 1.00 25.67 C +ATOM 12172 CD1 LEU D 441 34.664 -21.273 -39.961 1.00 8.86 C +ATOM 12173 CD2 LEU D 441 36.155 -23.099 -40.789 1.00 31.45 C +ATOM 12174 H LEU D 441 31.675 -25.297 -39.421 1.00 15.00 H +ATOM 12175 N ARG D 442 31.742 -22.723 -42.201 1.00 37.57 N +ATOM 12176 CA ARG D 442 31.393 -22.846 -43.603 1.00 38.76 C +ATOM 12177 C ARG D 442 32.564 -22.311 -44.421 1.00 39.28 C +ATOM 12178 O ARG D 442 33.056 -21.203 -44.157 1.00 34.45 O +ATOM 12179 CB ARG D 442 30.135 -22.024 -43.880 1.00 45.16 C +ATOM 12180 CG ARG D 442 29.230 -22.594 -44.948 1.00 57.59 C +ATOM 12181 CD ARG D 442 28.259 -21.536 -45.459 1.00 70.58 C +ATOM 12182 NE ARG D 442 27.145 -21.275 -44.552 1.00 77.77 N +ATOM 12183 CZ ARG D 442 25.974 -21.905 -44.608 1.00 85.00 C +ATOM 12184 NH1 ARG D 442 25.763 -22.860 -45.509 1.00 84.80 N +ATOM 12185 NH2 ARG D 442 25.017 -21.594 -43.747 1.00 89.29 N +ATOM 12186 H ARG D 442 31.743 -21.823 -41.805 1.00 15.00 H +ATOM 12187 HE ARG D 442 27.267 -20.599 -43.853 1.00 15.00 H +ATOM 12188 HH11 ARG D 442 26.484 -23.116 -46.150 1.00 15.00 H +ATOM 12189 HH12 ARG D 442 24.878 -23.327 -45.540 1.00 15.00 H +ATOM 12190 HH21 ARG D 442 25.176 -20.889 -43.057 1.00 15.00 H +ATOM 12191 HH22 ARG D 442 24.140 -22.071 -43.782 1.00 15.00 H +ATOM 12192 N VAL D 443 33.035 -23.107 -45.379 1.00 39.41 N +ATOM 12193 CA VAL D 443 34.147 -22.692 -46.232 1.00 56.86 C +ATOM 12194 C VAL D 443 33.984 -23.115 -47.695 1.00 73.97 C +ATOM 12195 O VAL D 443 33.297 -24.089 -47.998 1.00 77.44 O +ATOM 12196 CB VAL D 443 35.499 -23.225 -45.722 1.00 46.88 C +ATOM 12197 CG1 VAL D 443 35.908 -22.509 -44.459 1.00 45.63 C +ATOM 12198 CG2 VAL D 443 35.431 -24.713 -45.503 1.00 44.25 C +ATOM 12199 H VAL D 443 32.629 -23.994 -45.511 1.00 15.00 H +ATOM 12200 N GLU D 444 34.634 -22.376 -48.593 1.00 86.58 N +ATOM 12201 CA GLU D 444 34.590 -22.647 -50.032 1.00 93.97 C +ATOM 12202 C GLU D 444 35.425 -23.895 -50.350 1.00 90.73 C +ATOM 12203 O GLU D 444 36.650 -23.887 -50.192 1.00 91.08 O +ATOM 12204 CB GLU D 444 35.106 -21.415 -50.793 1.00105.69 C +ATOM 12205 CG GLU D 444 34.302 -20.137 -50.475 1.00122.67 C +ATOM 12206 CD GLU D 444 35.059 -18.832 -50.731 1.00132.80 C +ATOM 12207 OE1 GLU D 444 36.310 -18.850 -50.825 1.00141.04 O +ATOM 12208 OE2 GLU D 444 34.392 -17.776 -50.815 1.00135.84 O +ATOM 12209 H GLU D 444 35.177 -21.630 -48.275 1.00 15.00 H +ATOM 12210 N LYS D 445 34.751 -24.956 -50.792 1.00 86.58 N +ATOM 12211 CA LYS D 445 35.376 -26.245 -51.106 1.00 84.09 C +ATOM 12212 C LYS D 445 36.809 -26.227 -51.627 1.00 84.92 C +ATOM 12213 O LYS D 445 37.606 -27.107 -51.287 1.00 82.48 O +ATOM 12214 CB LYS D 445 34.491 -27.075 -52.038 1.00 80.66 C +ATOM 12215 CG LYS D 445 35.059 -28.464 -52.342 1.00 78.79 C +ATOM 12216 CD LYS D 445 33.997 -29.419 -52.862 1.00 80.58 C +ATOM 12217 CE LYS D 445 33.326 -28.884 -54.111 1.00 80.46 C +ATOM 12218 NZ LYS D 445 32.247 -29.786 -54.570 1.00 71.73 N +ATOM 12219 H LYS D 445 33.785 -24.878 -50.876 1.00 15.00 H +ATOM 12220 HZ1 LYS D 445 31.546 -29.889 -53.810 1.00 15.00 H +ATOM 12221 HZ2 LYS D 445 31.784 -29.385 -55.411 1.00 15.00 H +ATOM 12222 HZ3 LYS D 445 32.648 -30.716 -54.806 1.00 15.00 H +ATOM 12223 N LYS D 446 37.139 -25.232 -52.441 1.00 87.10 N +ATOM 12224 CA LYS D 446 38.483 -25.107 -52.991 1.00 88.37 C +ATOM 12225 C LYS D 446 39.508 -25.184 -51.861 1.00 84.63 C +ATOM 12226 O LYS D 446 40.368 -26.065 -51.841 1.00 83.64 O +ATOM 12227 CB LYS D 446 38.613 -23.772 -53.735 1.00 94.12 C +ATOM 12228 CG LYS D 446 37.689 -23.644 -54.948 1.00 98.72 C +ATOM 12229 CD LYS D 446 37.400 -22.191 -55.340 1.00101.40 C +ATOM 12230 CE LYS D 446 38.653 -21.411 -55.728 1.00104.45 C +ATOM 12231 NZ LYS D 446 39.368 -20.824 -54.555 1.00109.33 N +ATOM 12232 H LYS D 446 36.460 -24.564 -52.658 1.00 15.00 H +ATOM 12233 HZ1 LYS D 446 38.731 -20.174 -54.054 1.00 15.00 H +ATOM 12234 HZ2 LYS D 446 39.674 -21.577 -53.907 1.00 15.00 H +ATOM 12235 HZ3 LYS D 446 40.201 -20.299 -54.890 1.00 15.00 H +ATOM 12236 N ASN D 447 39.333 -24.319 -50.871 1.00 80.48 N +ATOM 12237 CA ASN D 447 40.229 -24.248 -49.726 1.00 83.85 C +ATOM 12238 C ASN D 447 40.301 -25.551 -48.928 1.00 88.46 C +ATOM 12239 O ASN D 447 41.314 -25.840 -48.287 1.00 92.83 O +ATOM 12240 CB ASN D 447 39.816 -23.091 -48.810 1.00 77.94 C +ATOM 12241 CG ASN D 447 39.752 -21.755 -49.539 1.00 73.66 C +ATOM 12242 OD1 ASN D 447 39.752 -21.701 -50.768 1.00 71.01 O +ATOM 12243 ND2 ASN D 447 39.680 -20.669 -48.782 1.00 74.62 N +ATOM 12244 H ASN D 447 38.580 -23.694 -50.929 1.00 15.00 H +ATOM 12245 HD21 ASN D 447 39.627 -19.816 -49.258 1.00 15.00 H +ATOM 12246 HD22 ASN D 447 39.679 -20.750 -47.803 1.00 15.00 H +ATOM 12247 N TRP D 448 39.239 -26.346 -48.984 1.00 88.98 N +ATOM 12248 CA TRP D 448 39.197 -27.603 -48.253 1.00 93.30 C +ATOM 12249 C TRP D 448 40.085 -28.690 -48.867 1.00100.67 C +ATOM 12250 O TRP D 448 40.990 -29.207 -48.211 1.00 98.48 O +ATOM 12251 CB TRP D 448 37.749 -28.090 -48.128 1.00 87.67 C +ATOM 12252 CG TRP D 448 37.626 -29.431 -47.483 1.00 82.36 C +ATOM 12253 CD1 TRP D 448 37.157 -30.576 -48.057 1.00 81.14 C +ATOM 12254 CD2 TRP D 448 38.037 -29.784 -46.161 1.00 77.71 C +ATOM 12255 NE1 TRP D 448 37.259 -31.622 -47.178 1.00 79.85 N +ATOM 12256 CE2 TRP D 448 37.795 -31.165 -46.005 1.00 79.47 C +ATOM 12257 CE3 TRP D 448 38.594 -29.067 -45.095 1.00 77.51 C +ATOM 12258 CZ2 TRP D 448 38.090 -31.848 -44.825 1.00 79.44 C +ATOM 12259 CZ3 TRP D 448 38.889 -29.743 -43.923 1.00 79.60 C +ATOM 12260 CH2 TRP D 448 38.635 -31.123 -43.798 1.00 82.19 C +ATOM 12261 H TRP D 448 38.482 -26.092 -49.550 1.00 15.00 H +ATOM 12262 HE1 TRP D 448 37.060 -32.564 -47.363 1.00 15.00 H +ATOM 12263 N VAL D 449 39.841 -29.015 -50.132 1.00113.17 N +ATOM 12264 CA VAL D 449 40.613 -30.053 -50.814 1.00125.57 C +ATOM 12265 C VAL D 449 42.072 -29.672 -51.074 1.00130.75 C +ATOM 12266 O VAL D 449 42.943 -30.543 -51.150 1.00132.60 O +ATOM 12267 CB VAL D 449 39.938 -30.490 -52.137 1.00128.58 C +ATOM 12268 CG1 VAL D 449 38.684 -31.310 -51.840 1.00127.61 C +ATOM 12269 CG2 VAL D 449 39.594 -29.267 -52.989 1.00130.09 C +ATOM 12270 H VAL D 449 39.131 -28.524 -50.602 1.00 15.00 H +ATOM 12271 N GLU D 450 42.332 -28.374 -51.210 1.00134.15 N +ATOM 12272 CA GLU D 450 43.685 -27.870 -51.444 1.00138.82 C +ATOM 12273 C GLU D 450 44.516 -27.977 -50.168 1.00140.88 C +ATOM 12274 O GLU D 450 45.731 -27.758 -50.185 1.00140.81 O +ATOM 12275 CB GLU D 450 43.626 -26.404 -51.880 1.00139.59 C +ATOM 12276 CG GLU D 450 42.930 -26.165 -53.218 1.00145.28 C +ATOM 12277 CD GLU D 450 42.589 -24.697 -53.467 1.00147.00 C +ATOM 12278 OE1 GLU D 450 42.754 -23.867 -52.542 1.00148.26 O +ATOM 12279 OE2 GLU D 450 42.136 -24.376 -54.588 1.00144.85 O +ATOM 12280 H GLU D 450 41.597 -27.725 -51.157 1.00 15.00 H +ATOM 12281 N ARG D 451 43.836 -28.304 -49.070 1.00144.61 N +ATOM 12282 CA ARG D 451 44.444 -28.441 -47.751 1.00147.51 C +ATOM 12283 C ARG D 451 44.816 -27.071 -47.180 1.00140.80 C +ATOM 12284 O ARG D 451 45.628 -26.338 -47.751 1.00140.94 O +ATOM 12285 CB ARG D 451 45.679 -29.355 -47.810 1.00160.07 C +ATOM 12286 CG ARG D 451 46.324 -29.628 -46.456 1.00177.47 C +ATOM 12287 CD ARG D 451 47.841 -29.443 -46.505 1.00189.87 C +ATOM 12288 NE ARG D 451 48.227 -28.062 -46.803 1.00201.12 N +ATOM 12289 CZ ARG D 451 48.214 -27.064 -45.920 1.00204.69 C +ATOM 12290 NH1 ARG D 451 47.835 -27.276 -44.666 1.00207.96 N +ATOM 12291 NH2 ARG D 451 48.583 -25.845 -46.294 1.00206.43 N +ATOM 12292 H ARG D 451 42.872 -28.457 -49.115 1.00 15.00 H +ATOM 12293 HE ARG D 451 48.517 -27.855 -47.715 1.00 15.00 H +ATOM 12294 HH11 ARG D 451 47.553 -28.187 -44.368 1.00 15.00 H +ATOM 12295 HH12 ARG D 451 47.831 -26.516 -44.014 1.00 15.00 H +ATOM 12296 HH21 ARG D 451 48.873 -25.673 -47.236 1.00 15.00 H +ATOM 12297 HH22 ARG D 451 48.572 -25.099 -45.628 1.00 15.00 H +ATOM 12298 N ASN D 452 44.190 -26.716 -46.064 1.00130.59 N +ATOM 12299 CA ASN D 452 44.462 -25.446 -45.406 1.00120.65 C +ATOM 12300 C ASN D 452 44.463 -25.678 -43.902 1.00111.05 C +ATOM 12301 O ASN D 452 43.932 -26.683 -43.418 1.00108.76 O +ATOM 12302 CB ASN D 452 43.420 -24.390 -45.799 1.00126.11 C +ATOM 12303 CG ASN D 452 44.010 -23.265 -46.643 1.00127.51 C +ATOM 12304 OD1 ASN D 452 43.910 -22.092 -46.285 1.00125.64 O +ATOM 12305 ND2 ASN D 452 44.624 -23.618 -47.766 1.00128.85 N +ATOM 12306 H ASN D 452 43.547 -27.332 -45.649 1.00 15.00 H +ATOM 12307 HD21 ASN D 452 44.992 -22.902 -48.317 1.00 15.00 H +ATOM 12308 HD22 ASN D 452 44.693 -24.570 -48.008 1.00 15.00 H +ATOM 12309 N SER D 453 45.068 -24.753 -43.167 1.00100.51 N +ATOM 12310 CA SER D 453 45.165 -24.865 -41.721 1.00 91.28 C +ATOM 12311 C SER D 453 43.943 -24.380 -40.942 1.00 78.70 C +ATOM 12312 O SER D 453 44.001 -23.368 -40.237 1.00 77.50 O +ATOM 12313 CB SER D 453 46.426 -24.153 -41.227 1.00100.11 C +ATOM 12314 OG SER D 453 47.577 -24.648 -41.898 1.00111.35 O +ATOM 12315 H SER D 453 45.472 -23.974 -43.595 1.00 15.00 H +ATOM 12316 HG SER D 453 48.372 -24.160 -41.648 1.00 15.00 H +ATOM 12317 N TYR D 454 42.843 -25.112 -41.065 1.00 64.39 N +ATOM 12318 CA TYR D 454 41.617 -24.780 -40.348 1.00 60.52 C +ATOM 12319 C TYR D 454 41.666 -25.553 -39.026 1.00 56.05 C +ATOM 12320 O TYR D 454 41.807 -26.782 -39.019 1.00 56.43 O +ATOM 12321 CB TYR D 454 40.374 -25.184 -41.168 1.00 68.58 C +ATOM 12322 CG TYR D 454 40.077 -24.310 -42.390 1.00 66.89 C +ATOM 12323 CD1 TYR D 454 39.810 -22.945 -42.252 1.00 60.52 C +ATOM 12324 CD2 TYR D 454 40.078 -24.849 -43.683 1.00 64.41 C +ATOM 12325 CE1 TYR D 454 39.560 -22.144 -43.361 1.00 57.73 C +ATOM 12326 CE2 TYR D 454 39.827 -24.049 -44.800 1.00 53.25 C +ATOM 12327 CZ TYR D 454 39.573 -22.699 -44.628 1.00 54.27 C +ATOM 12328 OH TYR D 454 39.359 -21.893 -45.723 1.00 55.70 O +ATOM 12329 H TYR D 454 42.874 -25.929 -41.608 1.00 15.00 H +ATOM 12330 HH TYR D 454 39.564 -22.437 -46.482 1.00 15.00 H +ATOM 12331 N SER D 455 41.571 -24.836 -37.911 1.00 47.67 N +ATOM 12332 CA SER D 455 41.639 -25.476 -36.606 1.00 40.96 C +ATOM 12333 C SER D 455 40.618 -24.963 -35.625 1.00 32.02 C +ATOM 12334 O SER D 455 40.289 -23.773 -35.608 1.00 36.07 O +ATOM 12335 CB SER D 455 43.027 -25.293 -36.001 1.00 44.55 C +ATOM 12336 OG SER D 455 44.033 -25.765 -36.879 1.00 61.23 O +ATOM 12337 H SER D 455 41.442 -23.872 -37.953 1.00 15.00 H +ATOM 12338 HG SER D 455 43.972 -25.229 -37.675 1.00 15.00 H +ATOM 12339 N CYS D 456 40.099 -25.881 -34.823 1.00 14.08 N +ATOM 12340 CA CYS D 456 39.134 -25.528 -33.806 1.00 13.97 C +ATOM 12341 C CYS D 456 39.987 -25.239 -32.586 1.00 15.79 C +ATOM 12342 O CYS D 456 40.804 -26.077 -32.190 1.00 22.69 O +ATOM 12343 CB CYS D 456 38.243 -26.722 -33.518 1.00 15.65 C +ATOM 12344 SG CYS D 456 36.881 -26.337 -32.386 1.00 8.41 S +ATOM 12345 H CYS D 456 40.417 -26.810 -34.865 1.00 15.00 H +ATOM 12346 N SER D 457 39.851 -24.065 -32.002 1.00 2.41 N +ATOM 12347 CA SER D 457 40.662 -23.775 -30.845 1.00 2.00 C +ATOM 12348 C SER D 457 39.795 -23.441 -29.642 1.00 21.26 C +ATOM 12349 O SER D 457 39.080 -22.429 -29.626 1.00 30.53 O +ATOM 12350 CB SER D 457 41.685 -22.683 -31.162 1.00 2.00 C +ATOM 12351 OG SER D 457 41.374 -21.452 -30.543 1.00 16.93 O +ATOM 12352 H SER D 457 39.200 -23.414 -32.316 1.00 15.00 H +ATOM 12353 HG SER D 457 40.436 -21.254 -30.688 1.00 15.00 H +ATOM 12354 N VAL D 458 39.814 -24.328 -28.653 1.00 22.82 N +ATOM 12355 CA VAL D 458 39.022 -24.118 -27.444 1.00 19.09 C +ATOM 12356 C VAL D 458 39.855 -23.712 -26.235 1.00 15.60 C +ATOM 12357 O VAL D 458 41.043 -24.020 -26.141 1.00 23.36 O +ATOM 12358 CB VAL D 458 38.090 -25.327 -27.102 1.00 9.42 C +ATOM 12359 CG1 VAL D 458 38.515 -26.585 -27.834 1.00 16.20 C +ATOM 12360 CG2 VAL D 458 38.076 -25.578 -25.620 1.00 10.29 C +ATOM 12361 H VAL D 458 40.409 -25.096 -28.715 1.00 15.00 H +ATOM 12362 N VAL D 459 39.233 -22.947 -25.353 1.00 9.15 N +ATOM 12363 CA VAL D 459 39.874 -22.497 -24.148 1.00 14.03 C +ATOM 12364 C VAL D 459 38.873 -22.760 -23.028 1.00 24.55 C +ATOM 12365 O VAL D 459 37.734 -22.290 -23.056 1.00 20.11 O +ATOM 12366 CB VAL D 459 40.332 -20.999 -24.220 1.00 5.95 C +ATOM 12367 CG1 VAL D 459 40.819 -20.663 -25.609 1.00 6.63 C +ATOM 12368 CG2 VAL D 459 39.260 -20.060 -23.777 1.00 2.00 C +ATOM 12369 H VAL D 459 38.309 -22.656 -25.513 1.00 15.00 H +ATOM 12370 N HIS D 460 39.289 -23.583 -22.078 1.00 31.95 N +ATOM 12371 CA HIS D 460 38.450 -23.970 -20.961 1.00 30.77 C +ATOM 12372 C HIS D 460 39.369 -24.100 -19.764 1.00 31.04 C +ATOM 12373 O HIS D 460 40.503 -24.563 -19.905 1.00 29.38 O +ATOM 12374 CB HIS D 460 37.823 -25.322 -21.284 1.00 27.10 C +ATOM 12375 CG HIS D 460 36.874 -25.820 -20.245 1.00 17.05 C +ATOM 12376 ND1 HIS D 460 36.179 -24.977 -19.410 1.00 6.98 N +ATOM 12377 CD2 HIS D 460 36.477 -27.073 -19.935 1.00 15.90 C +ATOM 12378 CE1 HIS D 460 35.391 -25.691 -18.631 1.00 20.23 C +ATOM 12379 NE2 HIS D 460 35.551 -26.965 -18.928 1.00 19.82 N +ATOM 12380 H HIS D 460 40.222 -23.906 -22.115 1.00 15.00 H +ATOM 12381 HD1 HIS D 460 36.095 -23.998 -19.450 1.00 15.00 H +ATOM 12382 HE2 HIS D 460 35.105 -27.713 -18.473 1.00 15.00 H +ATOM 12383 N GLU D 461 38.892 -23.699 -18.590 1.00 21.71 N +ATOM 12384 CA GLU D 461 39.723 -23.790 -17.393 1.00 16.40 C +ATOM 12385 C GLU D 461 40.340 -25.169 -17.180 1.00 9.39 C +ATOM 12386 O GLU D 461 41.517 -25.292 -16.848 1.00 16.40 O +ATOM 12387 CB GLU D 461 38.944 -23.375 -16.165 1.00 7.69 C +ATOM 12388 CG GLU D 461 37.621 -24.041 -16.034 1.00 19.50 C +ATOM 12389 CD GLU D 461 36.907 -23.557 -14.820 1.00 19.10 C +ATOM 12390 OE1 GLU D 461 37.279 -24.009 -13.721 1.00 20.59 O +ATOM 12391 OE2 GLU D 461 36.005 -22.705 -14.959 1.00 22.38 O +ATOM 12392 H GLU D 461 38.012 -23.281 -18.525 1.00 15.00 H +ATOM 12393 N GLY D 462 39.577 -26.209 -17.450 1.00 6.14 N +ATOM 12394 CA GLY D 462 40.112 -27.534 -17.268 1.00 2.00 C +ATOM 12395 C GLY D 462 40.887 -28.034 -18.452 1.00 7.03 C +ATOM 12396 O GLY D 462 40.682 -29.165 -18.866 1.00 19.34 O +ATOM 12397 H GLY D 462 38.660 -26.105 -17.741 1.00 15.00 H +ATOM 12398 N LEU D 463 41.760 -27.209 -19.014 1.00 11.00 N +ATOM 12399 CA LEU D 463 42.547 -27.614 -20.186 1.00 13.07 C +ATOM 12400 C LEU D 463 44.010 -27.311 -19.936 1.00 13.83 C +ATOM 12401 O LEU D 463 44.299 -26.298 -19.301 1.00 9.96 O +ATOM 12402 CB LEU D 463 42.092 -26.844 -21.428 1.00 2.34 C +ATOM 12403 CG LEU D 463 41.094 -27.547 -22.333 1.00 8.50 C +ATOM 12404 CD1 LEU D 463 40.767 -26.680 -23.517 1.00 15.76 C +ATOM 12405 CD2 LEU D 463 41.683 -28.846 -22.799 1.00 20.92 C +ATOM 12406 H LEU D 463 41.922 -26.324 -18.631 1.00 15.00 H +ATOM 12407 N HIS D 464 44.912 -28.109 -20.524 1.00 11.64 N +ATOM 12408 CA HIS D 464 46.352 -27.942 -20.342 1.00 12.28 C +ATOM 12409 C HIS D 464 46.717 -26.511 -19.996 1.00 20.21 C +ATOM 12410 O HIS D 464 46.813 -26.189 -18.810 1.00 37.99 O +ATOM 12411 CB HIS D 464 47.164 -28.461 -21.531 1.00 15.88 C +ATOM 12412 CG HIS D 464 48.657 -28.423 -21.317 1.00 15.62 C +ATOM 12413 ND1 HIS D 464 49.249 -27.870 -20.199 1.00 8.45 N +ATOM 12414 CD2 HIS D 464 49.678 -28.855 -22.099 1.00 21.17 C +ATOM 12415 CE1 HIS D 464 50.562 -27.960 -20.303 1.00 16.19 C +ATOM 12416 NE2 HIS D 464 50.848 -28.554 -21.447 1.00 8.21 N +ATOM 12417 H HIS D 464 44.570 -28.859 -21.057 1.00 15.00 H +ATOM 12418 HD1 HIS D 464 48.843 -27.465 -19.406 1.00 15.00 H +ATOM 12419 HE2 HIS D 464 51.776 -28.708 -21.760 1.00 15.00 H +ATOM 12420 N ASN D 465 46.933 -25.631 -20.963 1.00 13.07 N +ATOM 12421 CA ASN D 465 47.253 -24.267 -20.528 1.00 22.49 C +ATOM 12422 C ASN D 465 46.023 -23.416 -20.733 1.00 17.65 C +ATOM 12423 O ASN D 465 46.093 -22.248 -21.092 1.00 15.49 O +ATOM 12424 CB ASN D 465 48.494 -23.691 -21.220 1.00 26.76 C +ATOM 12425 CG ASN D 465 49.790 -24.132 -20.560 1.00 25.69 C +ATOM 12426 OD1 ASN D 465 50.571 -24.880 -21.137 1.00 27.40 O +ATOM 12427 ND2 ASN D 465 50.010 -23.682 -19.337 1.00 39.35 N +ATOM 12428 H ASN D 465 46.877 -25.829 -21.918 1.00 15.00 H +ATOM 12429 HD21 ASN D 465 50.856 -23.945 -18.922 1.00 15.00 H +ATOM 12430 HD22 ASN D 465 49.342 -23.104 -18.922 1.00 15.00 H +ATOM 12431 N HIS D 466 44.892 -24.025 -20.408 1.00 14.73 N +ATOM 12432 CA HIS D 466 43.592 -23.421 -20.560 1.00 18.15 C +ATOM 12433 C HIS D 466 43.201 -23.442 -22.030 1.00 14.96 C +ATOM 12434 O HIS D 466 42.068 -23.148 -22.350 1.00 33.30 O +ATOM 12435 CB HIS D 466 43.592 -21.979 -20.044 1.00 19.15 C +ATOM 12436 CG HIS D 466 43.560 -21.858 -18.553 1.00 21.48 C +ATOM 12437 ND1 HIS D 466 43.449 -22.945 -17.713 1.00 34.37 N +ATOM 12438 CD2 HIS D 466 43.577 -20.767 -17.751 1.00 34.65 C +ATOM 12439 CE1 HIS D 466 43.393 -22.529 -16.460 1.00 35.42 C +ATOM 12440 NE2 HIS D 466 43.469 -21.211 -16.455 1.00 27.75 N +ATOM 12441 H HIS D 466 44.992 -24.898 -20.028 1.00 15.00 H +ATOM 12442 HD1 HIS D 466 43.392 -23.898 -17.965 1.00 15.00 H +ATOM 12443 HE2 HIS D 466 43.457 -20.626 -15.666 1.00 15.00 H +ATOM 12444 N HIS D 467 44.089 -23.912 -22.902 1.00 9.54 N +ATOM 12445 CA HIS D 467 43.836 -23.917 -24.342 1.00 7.31 C +ATOM 12446 C HIS D 467 44.355 -25.119 -25.131 1.00 10.11 C +ATOM 12447 O HIS D 467 45.546 -25.406 -25.129 1.00 22.13 O +ATOM 12448 CB HIS D 467 44.450 -22.629 -24.924 1.00 22.36 C +ATOM 12449 CG HIS D 467 44.400 -22.517 -26.424 1.00 35.25 C +ATOM 12450 ND1 HIS D 467 43.787 -21.460 -27.067 1.00 28.92 N +ATOM 12451 CD2 HIS D 467 44.947 -23.280 -27.402 1.00 33.66 C +ATOM 12452 CE1 HIS D 467 43.961 -21.577 -28.371 1.00 33.84 C +ATOM 12453 NE2 HIS D 467 44.661 -22.673 -28.600 1.00 37.13 N +ATOM 12454 H HIS D 467 44.938 -24.275 -22.603 1.00 15.00 H +ATOM 12455 HD1 HIS D 467 43.262 -20.755 -26.639 1.00 15.00 H +ATOM 12456 HE2 HIS D 467 44.899 -22.993 -29.496 1.00 15.00 H +ATOM 12457 N THR D 468 43.465 -25.843 -25.784 1.00 4.96 N +ATOM 12458 CA THR D 468 43.892 -26.934 -26.645 1.00 2.00 C +ATOM 12459 C THR D 468 43.473 -26.407 -28.021 1.00 8.92 C +ATOM 12460 O THR D 468 42.811 -25.367 -28.107 1.00 15.44 O +ATOM 12461 CB THR D 468 43.198 -28.253 -26.302 1.00 7.93 C +ATOM 12462 OG1 THR D 468 43.601 -29.272 -27.228 1.00 16.78 O +ATOM 12463 CG2 THR D 468 41.711 -28.104 -26.359 1.00 22.13 C +ATOM 12464 H THR D 468 42.510 -25.618 -25.738 1.00 15.00 H +ATOM 12465 HG1 THR D 468 43.252 -30.121 -26.928 1.00 15.00 H +ATOM 12466 N THR D 469 43.863 -27.068 -29.099 1.00 9.68 N +ATOM 12467 CA THR D 469 43.506 -26.572 -30.417 1.00 12.40 C +ATOM 12468 C THR D 469 43.681 -27.669 -31.451 1.00 18.08 C +ATOM 12469 O THR D 469 44.666 -27.701 -32.176 1.00 19.79 O +ATOM 12470 CB THR D 469 44.334 -25.277 -30.748 1.00 14.90 C +ATOM 12471 OG1 THR D 469 44.013 -24.785 -32.049 1.00 26.53 O +ATOM 12472 CG2 THR D 469 45.812 -25.521 -30.661 1.00 20.23 C +ATOM 12473 H THR D 469 44.377 -27.900 -29.015 1.00 15.00 H +ATOM 12474 HG1 THR D 469 44.215 -25.482 -32.694 1.00 15.00 H +ATOM 12475 N LYS D 470 42.714 -28.581 -31.491 1.00 34.79 N +ATOM 12476 CA LYS D 470 42.741 -29.705 -32.421 1.00 50.14 C +ATOM 12477 C LYS D 470 42.669 -29.260 -33.858 1.00 54.82 C +ATOM 12478 O LYS D 470 41.866 -28.396 -34.212 1.00 57.85 O +ATOM 12479 CB LYS D 470 41.609 -30.686 -32.139 1.00 61.32 C +ATOM 12480 CG LYS D 470 42.080 -32.037 -31.593 1.00 82.05 C +ATOM 12481 CD LYS D 470 42.702 -31.905 -30.203 1.00 92.93 C +ATOM 12482 CE LYS D 470 43.042 -33.264 -29.606 1.00 97.13 C +ATOM 12483 NZ LYS D 470 43.478 -33.141 -28.186 1.00104.71 N +ATOM 12484 H LYS D 470 41.940 -28.475 -30.903 1.00 15.00 H +ATOM 12485 HZ1 LYS D 470 44.308 -32.519 -28.128 1.00 15.00 H +ATOM 12486 HZ2 LYS D 470 42.705 -32.733 -27.623 1.00 15.00 H +ATOM 12487 HZ3 LYS D 470 43.714 -34.085 -27.822 1.00 15.00 H +ATOM 12488 N SER D 471 43.491 -29.896 -34.684 1.00 68.65 N +ATOM 12489 CA SER D 471 43.592 -29.584 -36.103 1.00 78.89 C +ATOM 12490 C SER D 471 43.052 -30.674 -37.035 1.00 80.86 C +ATOM 12491 O SER D 471 42.514 -31.690 -36.584 1.00 80.84 O +ATOM 12492 CB SER D 471 45.054 -29.280 -36.441 1.00 84.22 C +ATOM 12493 OG SER D 471 45.925 -30.226 -35.835 1.00 93.55 O +ATOM 12494 H SER D 471 44.082 -30.608 -34.367 1.00 15.00 H +ATOM 12495 HG SER D 471 46.831 -30.012 -36.076 1.00 15.00 H +ATOM 12496 N PHE D 472 43.204 -30.448 -38.338 1.00 81.46 N +ATOM 12497 CA PHE D 472 42.740 -31.382 -39.355 1.00 85.23 C +ATOM 12498 C PHE D 472 43.847 -32.205 -40.001 1.00 96.09 C +ATOM 12499 O PHE D 472 44.999 -32.190 -39.559 1.00 93.88 O +ATOM 12500 CB PHE D 472 41.979 -30.629 -40.444 1.00 75.46 C +ATOM 12501 CG PHE D 472 40.501 -30.788 -40.354 1.00 60.29 C +ATOM 12502 CD1 PHE D 472 39.919 -32.039 -40.528 1.00 54.77 C +ATOM 12503 CD2 PHE D 472 39.691 -29.699 -40.064 1.00 51.41 C +ATOM 12504 CE1 PHE D 472 38.544 -32.205 -40.410 1.00 54.37 C +ATOM 12505 CE2 PHE D 472 38.318 -29.850 -39.943 1.00 51.47 C +ATOM 12506 CZ PHE D 472 37.740 -31.107 -40.115 1.00 50.42 C +ATOM 12507 H PHE D 472 43.639 -29.625 -38.636 1.00 15.00 H +ATOM 12508 N SER D 473 43.485 -32.898 -41.076 1.00111.70 N +ATOM 12509 CA SER D 473 44.426 -33.725 -41.811 1.00127.43 C +ATOM 12510 C SER D 473 44.311 -33.539 -43.334 1.00136.85 C +ATOM 12511 O SER D 473 45.160 -32.881 -43.943 1.00139.86 O +ATOM 12512 CB SER D 473 44.243 -35.194 -41.419 1.00127.45 C +ATOM 12513 OG SER D 473 44.312 -35.351 -40.011 1.00124.86 O +ATOM 12514 H SER D 473 42.565 -32.877 -41.403 1.00 15.00 H +ATOM 12515 HG SER D 473 45.085 -34.885 -39.661 1.00 15.00 H +ATOM 12516 N ARG D 474 43.252 -34.077 -43.937 1.00145.63 N +ATOM 12517 CA ARG D 474 43.056 -33.976 -45.381 1.00152.25 C +ATOM 12518 C ARG D 474 41.592 -33.676 -45.695 1.00153.68 C +ATOM 12519 O ARG D 474 40.719 -34.294 -45.044 1.00156.43 O +ATOM 12520 CB ARG D 474 43.481 -35.287 -46.059 1.00157.82 C +ATOM 12521 CG ARG D 474 43.518 -35.234 -47.583 1.00166.37 C +ATOM 12522 CD ARG D 474 43.816 -36.601 -48.205 1.00172.35 C +ATOM 12523 NE ARG D 474 45.161 -37.093 -47.902 1.00178.10 N +ATOM 12524 CZ ARG D 474 45.744 -38.123 -48.517 1.00179.80 C +ATOM 12525 NH1 ARG D 474 45.111 -38.780 -49.482 1.00180.57 N +ATOM 12526 NH2 ARG D 474 46.970 -38.496 -48.169 1.00181.32 N +ATOM 12527 OXT ARG D 474 41.337 -32.828 -46.577 1.00152.09 O +ATOM 12528 H ARG D 474 42.514 -34.529 -43.478 1.00 15.00 H +ATOM 12529 HE ARG D 474 45.673 -36.639 -47.200 1.00 15.00 H +ATOM 12530 HH11 ARG D 474 44.190 -38.506 -49.758 1.00 15.00 H +ATOM 12531 HH12 ARG D 474 45.558 -39.551 -49.936 1.00 15.00 H +ATOM 12532 HH21 ARG D 474 47.457 -38.007 -47.445 1.00 15.00 H +ATOM 12533 HH22 ARG D 474 47.405 -39.268 -48.629 1.00 15.00 H +TER 12534 ARG D 474 +HETATM12535 C1 NAG B 475 5.791 -20.194 -7.051 1.00 34.66 C +HETATM12536 C2 NAG B 475 6.100 -18.729 -7.466 1.00 33.16 C +HETATM12537 C3 NAG B 475 5.934 -18.550 -8.975 1.00 21.03 C +HETATM12538 C4 NAG B 475 6.943 -19.507 -9.597 1.00 25.87 C +HETATM12539 C5 NAG B 475 6.468 -20.898 -9.244 1.00 17.87 C +HETATM12540 C6 NAG B 475 7.165 -22.021 -9.988 1.00 18.22 C +HETATM12541 C7 NAG B 475 5.794 -16.568 -6.466 1.00 34.53 C +HETATM12542 C8 NAG B 475 4.872 -15.583 -5.769 1.00 38.89 C +HETATM12543 N2 NAG B 475 5.276 -17.755 -6.781 1.00 38.78 N +HETATM12544 O3 NAG B 475 6.173 -17.200 -9.340 1.00 12.02 O +HETATM12545 O4 NAG B 475 7.118 -19.345 -11.040 1.00 31.74 O +HETATM12546 O5 NAG B 475 6.617 -21.096 -7.825 1.00 21.92 O +HETATM12547 O6 NAG B 475 8.063 -22.738 -9.132 1.00 18.88 O +HETATM12548 O7 NAG B 475 6.977 -16.290 -6.670 1.00 31.63 O +HETATM12549 H1 NAG B 475 4.729 -20.455 -7.240 1.00 15.00 H +HETATM12550 H2 NAG B 475 7.160 -18.595 -7.180 1.00 15.00 H +HETATM12551 H3 NAG B 475 4.902 -18.794 -9.278 1.00 15.00 H +HETATM12552 H4 NAG B 475 7.949 -19.365 -9.158 1.00 15.00 H +HETATM12553 H5 NAG B 475 5.402 -20.975 -9.528 1.00 15.00 H +HETATM12554 H61 NAG B 475 7.731 -21.518 -10.765 1.00 15.00 H +HETATM12555 H62 NAG B 475 6.448 -22.705 -10.450 1.00 15.00 H +HETATM12556 H81 NAG B 475 5.393 -15.107 -4.926 1.00 15.00 H +HETATM12557 H82 NAG B 475 3.977 -16.086 -5.372 1.00 15.00 H +HETATM12558 H83 NAG B 475 4.561 -14.799 -6.470 1.00 15.00 H +HETATM12559 HN2 NAG B 475 4.354 -17.981 -6.539 1.00 15.00 H +HETATM12560 HO3 NAG B 475 7.019 -16.907 -8.968 1.00 15.00 H +HETATM12561 C1 FUL B 476 9.351 -22.698 -9.651 1.00 35.85 C +HETATM12562 C2 FUL B 476 10.202 -23.742 -8.965 1.00 38.18 C +HETATM12563 O2 FUL B 476 9.659 -25.026 -9.231 1.00 38.14 O +HETATM12564 C3 FUL B 476 11.624 -23.686 -9.502 1.00 46.03 C +HETATM12565 O3 FUL B 476 12.441 -24.546 -8.724 1.00 48.29 O +HETATM12566 C4 FUL B 476 12.186 -22.261 -9.448 1.00 56.23 C +HETATM12567 O4 FUL B 476 12.448 -21.910 -8.099 1.00 63.63 O +HETATM12568 C5 FUL B 476 11.209 -21.254 -10.082 1.00 56.64 C +HETATM12569 C6 FUL B 476 11.606 -19.798 -9.884 1.00 56.96 C +HETATM12570 O5 FUL B 476 9.907 -21.407 -9.502 1.00 47.63 O +HETATM12571 H1 FUL B 476 9.287 -22.931 -10.739 1.00 15.00 H +HETATM12572 H2 FUL B 476 10.192 -23.531 -7.881 1.00 15.00 H +HETATM12573 HO2 FUL B 476 8.715 -25.014 -9.013 1.00 15.00 H +HETATM12574 H3 FUL B 476 11.614 -24.042 -10.546 1.00 15.00 H +HETATM12575 HO3 FUL B 476 11.924 -25.361 -8.647 1.00 15.00 H +HETATM12576 H4 FUL B 476 13.137 -22.255 -10.010 1.00 15.00 H +HETATM12577 HO4 FUL B 476 12.852 -22.696 -7.711 1.00 15.00 H +HETATM12578 H5 FUL B 476 11.149 -21.444 -11.168 1.00 15.00 H +HETATM12579 H61 FUL B 476 11.638 -19.564 -8.810 1.00 15.00 H +HETATM12580 H62 FUL B 476 12.603 -19.603 -10.302 1.00 15.00 H +HETATM12581 H63 FUL B 476 10.874 -19.125 -10.354 1.00 15.00 H +HETATM12582 C1 NAG B 477 6.097 -18.935 -11.878 1.00 22.39 C +HETATM12583 C2 NAG B 477 6.068 -19.823 -13.128 1.00 22.63 C +HETATM12584 C3 NAG B 477 7.190 -19.459 -14.095 1.00 21.16 C +HETATM12585 C4 NAG B 477 7.063 -17.997 -14.476 1.00 22.46 C +HETATM12586 C5 NAG B 477 7.304 -17.240 -13.185 1.00 19.13 C +HETATM12587 C6 NAG B 477 7.355 -15.746 -13.336 1.00 22.38 C +HETATM12588 C7 NAG B 477 5.575 -22.166 -13.391 1.00 33.48 C +HETATM12589 C8 NAG B 477 5.885 -23.581 -12.944 1.00 28.46 C +HETATM12590 N2 NAG B 477 6.246 -21.210 -12.762 1.00 25.22 N +HETATM12591 O3 NAG B 477 7.144 -20.286 -15.250 1.00 16.74 O +HETATM12592 O4 NAG B 477 8.066 -17.646 -15.456 1.00 33.30 O +HETATM12593 O5 NAG B 477 6.244 -17.535 -12.228 1.00 30.57 O +HETATM12594 O6 NAG B 477 7.252 -15.121 -12.065 1.00 43.57 O +HETATM12595 O7 NAG B 477 4.712 -21.936 -14.244 1.00 44.75 O +HETATM12596 H1 NAG B 477 7.050 -18.548 -11.566 1.00 15.00 H +HETATM12597 H2 NAG B 477 5.098 -19.645 -13.615 1.00 15.00 H +HETATM12598 H3 NAG B 477 8.165 -19.634 -13.611 1.00 15.00 H +HETATM12599 H4 NAG B 477 6.034 -17.784 -14.817 1.00 15.00 H +HETATM12600 H5 NAG B 477 8.310 -17.473 -12.776 1.00 15.00 H +HETATM12601 H61 NAG B 477 6.520 -15.405 -13.965 1.00 15.00 H +HETATM12602 H62 NAG B 477 8.282 -15.437 -13.847 1.00 15.00 H +HETATM12603 H81 NAG B 477 5.279 -23.855 -12.072 1.00 15.00 H +HETATM12604 H82 NAG B 477 6.956 -23.704 -12.725 1.00 15.00 H +HETATM12605 H83 NAG B 477 5.635 -24.287 -13.749 1.00 15.00 H +HETATM12606 HN2 NAG B 477 6.917 -21.437 -12.135 1.00 15.00 H +HETATM12607 HO3 NAG B 477 7.809 -19.990 -15.885 1.00 15.00 H +HETATM12608 HO6 NAG B 477 6.610 -15.610 -11.523 1.00 15.00 H +HETATM12609 C1 BMA B 478 7.748 -17.599 -16.811 1.00 32.06 C +HETATM12610 C2 BMA B 478 8.537 -16.446 -17.422 1.00 46.16 C +HETATM12611 C3 BMA B 478 8.437 -16.426 -18.942 1.00 55.81 C +HETATM12612 C4 BMA B 478 8.901 -17.784 -19.466 1.00 47.47 C +HETATM12613 C5 BMA B 478 8.037 -18.856 -18.831 1.00 34.42 C +HETATM12614 C6 BMA B 478 8.386 -20.243 -19.306 1.00 27.69 C +HETATM12615 O2 BMA B 478 9.900 -16.602 -17.060 1.00 62.93 O +HETATM12616 O3 BMA B 478 9.285 -15.376 -19.468 1.00 74.30 O +HETATM12617 O4 BMA B 478 8.777 -17.836 -20.882 1.00 41.77 O +HETATM12618 O5 BMA B 478 8.185 -18.833 -17.396 1.00 29.76 O +HETATM12619 O6 BMA B 478 7.337 -21.152 -18.904 1.00 45.18 O +HETATM12620 H1 BMA B 478 6.663 -17.500 -16.974 1.00 15.00 H +HETATM12621 H2 BMA B 478 8.159 -15.504 -16.992 1.00 15.00 H +HETATM12622 H3 BMA B 478 7.383 -16.328 -19.234 1.00 15.00 H +HETATM12623 H4 BMA B 478 9.952 -17.962 -19.182 1.00 15.00 H +HETATM12624 H5 BMA B 478 6.986 -18.666 -19.118 1.00 15.00 H +HETATM12625 H61 BMA B 478 9.375 -20.513 -18.905 1.00 15.00 H +HETATM12626 H62 BMA B 478 8.494 -20.216 -20.403 1.00 15.00 H +HETATM12627 HO2 BMA B 478 9.908 -16.955 -16.163 1.00 15.00 H +HETATM12628 HO4 BMA B 478 9.395 -17.194 -21.248 1.00 15.00 H +HETATM12629 C1 MAN B 479 7.437 -22.398 -19.534 1.00 56.08 C +HETATM12630 C2 MAN B 479 6.332 -23.317 -19.017 1.00 59.54 C +HETATM12631 C3 MAN B 479 6.522 -23.497 -17.511 1.00 69.76 C +HETATM12632 C4 MAN B 479 7.926 -24.016 -17.205 1.00 75.76 C +HETATM12633 C5 MAN B 479 9.003 -23.157 -17.895 1.00 71.55 C +HETATM12634 C6 MAN B 479 10.399 -23.755 -17.822 1.00 69.15 C +HETATM12635 O2 MAN B 479 6.405 -24.600 -19.693 1.00 55.86 O +HETATM12636 O3 MAN B 479 5.560 -24.409 -16.995 1.00 79.16 O +HETATM12637 O4 MAN B 479 8.121 -24.003 -15.795 1.00 87.80 O +HETATM12638 O5 MAN B 479 8.697 -22.995 -19.295 1.00 60.40 O +HETATM12639 O6 MAN B 479 11.292 -23.072 -18.694 1.00 73.75 O +HETATM12640 H1 MAN B 479 7.373 -22.245 -20.625 1.00 15.00 H +HETATM12641 H2 MAN B 479 5.354 -22.827 -19.170 1.00 15.00 H +HETATM12642 H3 MAN B 479 6.402 -22.525 -16.995 1.00 15.00 H +HETATM12643 H4 MAN B 479 7.978 -25.054 -17.575 1.00 15.00 H +HETATM12644 H5 MAN B 479 9.032 -22.166 -17.412 1.00 15.00 H +HETATM12645 H61 MAN B 479 10.375 -24.829 -18.064 1.00 15.00 H +HETATM12646 H62 MAN B 479 10.757 -23.674 -16.784 1.00 15.00 H +HETATM12647 HO3 MAN B 479 4.724 -23.939 -16.917 1.00 15.00 H +HETATM12648 HO4 MAN B 479 7.271 -24.310 -15.456 1.00 15.00 H +HETATM12649 HO6 MAN B 479 10.754 -22.703 -19.403 1.00 15.00 H +HETATM12650 C1 NAG B 480 5.670 -24.744 -20.869 1.00 51.13 C +HETATM12651 C2 NAG B 480 6.317 -25.793 -21.763 1.00 51.16 C +HETATM12652 C3 NAG B 480 5.445 -26.012 -23.011 1.00 54.15 C +HETATM12653 C4 NAG B 480 3.996 -26.328 -22.620 1.00 46.42 C +HETATM12654 C5 NAG B 480 3.488 -25.240 -21.696 1.00 39.40 C +HETATM12655 C6 NAG B 480 2.090 -25.499 -21.208 1.00 38.60 C +HETATM12656 C7 NAG B 480 8.724 -26.063 -21.923 1.00 64.00 C +HETATM12657 C8 NAG B 480 10.044 -25.467 -22.389 1.00 61.33 C +HETATM12658 N2 NAG B 480 7.637 -25.331 -22.160 1.00 57.40 N +HETATM12659 O3 NAG B 480 5.978 -27.069 -23.798 1.00 59.42 O +HETATM12660 O4 NAG B 480 3.168 -26.363 -23.801 1.00 64.66 O +HETATM12661 O5 NAG B 480 4.332 -25.135 -20.532 1.00 44.37 O +HETATM12662 O6 NAG B 480 1.748 -24.568 -20.196 1.00 42.04 O +HETATM12663 O7 NAG B 480 8.683 -27.160 -21.368 1.00 67.51 O +HETATM12664 H1 NAG B 480 5.629 -23.768 -21.386 1.00 15.00 H +HETATM12665 H2 NAG B 480 6.336 -26.728 -21.175 1.00 15.00 H +HETATM12666 H3 NAG B 480 5.416 -25.101 -23.632 1.00 15.00 H +HETATM12667 H4 NAG B 480 3.975 -27.282 -22.067 1.00 15.00 H +HETATM12668 H5 NAG B 480 3.470 -24.266 -22.210 1.00 15.00 H +HETATM12669 H61 NAG B 480 2.031 -26.514 -20.785 1.00 15.00 H +HETATM12670 H62 NAG B 480 1.397 -25.486 -22.060 1.00 15.00 H +HETATM12671 H81 NAG B 480 10.141 -25.566 -23.478 1.00 15.00 H +HETATM12672 H82 NAG B 480 10.885 -25.998 -21.916 1.00 15.00 H +HETATM12673 H83 NAG B 480 10.121 -24.410 -22.102 1.00 15.00 H +HETATM12674 HN2 NAG B 480 7.733 -24.475 -22.615 1.00 15.00 H +HETATM12675 HO3 NAG B 480 6.310 -27.759 -23.212 1.00 15.00 H +HETATM12676 HO6 NAG B 480 2.467 -24.585 -19.555 1.00 15.00 H +HETATM12677 C1 GAL B 481 3.020 -27.573 -24.468 1.00 85.86 C +HETATM12678 C2 GAL B 481 1.777 -28.322 -23.954 1.00 97.28 C +HETATM12679 C3 GAL B 481 1.662 -29.681 -24.654 1.00 99.95 C +HETATM12680 C4 GAL B 481 2.008 -29.548 -26.140 1.00 96.58 C +HETATM12681 C5 GAL B 481 1.939 -28.078 -26.587 1.00 90.80 C +HETATM12682 C6 GAL B 481 0.583 -27.402 -26.426 1.00 87.50 C +HETATM12683 O2 GAL B 481 1.871 -28.521 -22.549 1.00100.55 O +HETATM12684 O3 GAL B 481 0.345 -30.200 -24.509 1.00108.31 O +HETATM12685 O4 GAL B 481 1.115 -30.335 -26.918 1.00 94.55 O +HETATM12686 O5 GAL B 481 2.912 -27.275 -25.874 1.00 89.14 O +HETATM12687 O6 GAL B 481 0.722 -26.068 -25.949 1.00 79.38 O +HETATM12688 H1 GAL B 481 3.891 -28.215 -24.335 1.00 15.00 H +HETATM12689 H2 GAL B 481 0.893 -27.678 -24.029 1.00 15.00 H +HETATM12690 H3 GAL B 481 2.377 -30.376 -24.180 1.00 15.00 H +HETATM12691 H4 GAL B 481 3.030 -29.913 -26.322 1.00 15.00 H +HETATM12692 H5 GAL B 481 2.291 -27.954 -27.621 1.00 15.00 H +HETATM12693 H61 GAL B 481 -0.181 -27.984 -25.890 1.00 15.00 H +HETATM12694 H62 GAL B 481 0.140 -27.337 -27.428 1.00 15.00 H +HETATM12695 HO2 GAL B 481 1.004 -28.843 -22.274 1.00 15.00 H +HETATM12696 HO3 GAL B 481 0.349 -31.099 -24.864 1.00 15.00 H +HETATM12697 HO4 GAL B 481 0.217 -30.138 -26.621 1.00 15.00 H +HETATM12698 HO6 GAL B 481 1.667 -25.839 -25.925 1.00 15.00 H +HETATM12699 C1 MAN B 482 8.660 -14.177 -19.850 1.00 91.07 C +HETATM12700 C2 MAN B 482 9.015 -13.872 -21.297 1.00103.83 C +HETATM12701 C3 MAN B 482 10.500 -13.539 -21.413 1.00103.11 C +HETATM12702 C4 MAN B 482 10.885 -12.435 -20.439 1.00102.32 C +HETATM12703 C5 MAN B 482 10.428 -12.770 -19.018 1.00102.54 C +HETATM12704 C6 MAN B 482 10.637 -11.611 -18.049 1.00107.11 C +HETATM12705 O2 MAN B 482 8.212 -12.775 -21.780 1.00124.87 O +HETATM12706 O3 MAN B 482 10.811 -13.124 -22.735 1.00 99.95 O +HETATM12707 O4 MAN B 482 12.295 -12.279 -20.463 1.00105.66 O +HETATM12708 O5 MAN B 482 9.022 -13.085 -19.012 1.00 91.98 O +HETATM12709 O6 MAN B 482 9.970 -11.834 -16.814 1.00111.98 O +HETATM12710 H1 MAN B 482 7.565 -14.218 -19.703 1.00 15.00 H +HETATM12711 H2 MAN B 482 8.850 -14.806 -21.865 1.00 15.00 H +HETATM12712 H3 MAN B 482 11.066 -14.456 -21.177 1.00 15.00 H +HETATM12713 H4 MAN B 482 10.403 -11.503 -20.779 1.00 15.00 H +HETATM12714 H5 MAN B 482 10.963 -13.658 -18.632 1.00 15.00 H +HETATM12715 H61 MAN B 482 10.294 -10.665 -18.492 1.00 15.00 H +HETATM12716 H62 MAN B 482 11.719 -11.505 -17.868 1.00 15.00 H +HETATM12717 HO3 MAN B 482 10.384 -13.703 -23.386 1.00 15.00 H +HETATM12718 HO4 MAN B 482 12.504 -12.217 -21.407 1.00 15.00 H +HETATM12719 HO6 MAN B 482 9.217 -12.401 -17.015 1.00 15.00 H +HETATM12720 C1 NAG B 483 7.597 -13.002 -23.001 1.00147.68 C +HETATM12721 C2 NAG B 483 6.748 -11.788 -23.402 1.00159.72 C +HETATM12722 C3 NAG B 483 6.205 -11.980 -24.825 1.00165.67 C +HETATM12723 C4 NAG B 483 7.367 -12.252 -25.777 1.00163.56 C +HETATM12724 C5 NAG B 483 8.150 -13.469 -25.281 1.00157.15 C +HETATM12725 C6 NAG B 483 9.361 -13.804 -26.128 1.00155.12 C +HETATM12726 C7 NAG B 483 4.665 -12.431 -22.302 1.00167.97 C +HETATM12727 C8 NAG B 483 3.608 -12.052 -21.277 1.00166.62 C +HETATM12728 N2 NAG B 483 5.663 -11.559 -22.455 1.00166.00 N +HETATM12729 O3 NAG B 483 5.500 -10.818 -25.245 1.00170.89 O +HETATM12730 O4 NAG B 483 6.865 -12.489 -27.084 1.00168.56 O +HETATM12731 O5 NAG B 483 8.640 -13.223 -23.954 1.00152.41 O +HETATM12732 O6 NAG B 483 10.165 -14.792 -25.493 1.00151.33 O +HETATM12733 O7 NAG B 483 4.584 -13.484 -22.937 1.00168.30 O +HETATM12734 H1 NAG B 483 6.994 -13.926 -22.943 1.00 15.00 H +HETATM12735 H2 NAG B 483 7.402 -10.902 -23.389 1.00 15.00 H +HETATM12736 H3 NAG B 483 5.553 -12.858 -24.942 1.00 15.00 H +HETATM12737 H4 NAG B 483 8.027 -11.369 -25.791 1.00 15.00 H +HETATM12738 H5 NAG B 483 7.504 -14.364 -25.243 1.00 15.00 H +HETATM12739 H61 NAG B 483 9.959 -12.893 -26.286 1.00 15.00 H +HETATM12740 H62 NAG B 483 9.028 -14.145 -27.121 1.00 15.00 H +HETATM12741 H81 NAG B 483 2.927 -12.899 -21.108 1.00 15.00 H +HETATM12742 H82 NAG B 483 3.039 -11.179 -21.623 1.00 15.00 H +HETATM12743 H83 NAG B 483 4.068 -11.816 -20.307 1.00 15.00 H +HETATM12744 HN2 NAG B 483 5.686 -10.744 -21.915 1.00 15.00 H +HETATM12745 HO3 NAG B 483 4.630 -10.837 -24.834 1.00 15.00 H +HETATM12746 HO4 NAG B 483 6.285 -11.740 -27.273 1.00 15.00 H +HETATM12747 HO6 NAG B 483 10.666 -15.268 -26.163 1.00 15.00 H +HETATM12748 C1 NAG D 475 15.179 2.409 -21.411 1.00138.48 C +HETATM12749 C2 NAG D 475 14.181 1.365 -20.856 1.00137.31 C +HETATM12750 C3 NAG D 475 14.918 0.088 -20.438 1.00133.46 C +HETATM12751 C4 NAG D 475 15.732 -0.443 -21.617 1.00130.89 C +HETATM12752 C5 NAG D 475 16.689 0.657 -22.109 1.00129.20 C +HETATM12753 C6 NAG D 475 17.471 0.235 -23.337 1.00124.06 C +HETATM12754 C7 NAG D 475 12.353 2.611 -19.848 1.00138.38 C +HETATM12755 C8 NAG D 475 11.695 3.093 -18.560 1.00132.44 C +HETATM12756 N2 NAG D 475 13.463 1.888 -19.702 1.00140.41 N +HETATM12757 O3 NAG D 475 13.982 -0.892 -20.007 1.00129.01 O +HETATM12758 O4 NAG D 475 16.468 -1.647 -21.245 1.00133.90 O +HETATM12759 O5 NAG D 475 15.948 1.843 -22.486 1.00133.23 O +HETATM12760 O6 NAG D 475 16.641 0.394 -24.506 1.00123.35 O +HETATM12761 O7 NAG D 475 11.887 2.906 -20.954 1.00139.04 O +HETATM12762 H1 NAG D 475 15.886 2.752 -20.630 1.00 15.00 H +HETATM12763 H2 NAG D 475 13.477 1.087 -21.663 1.00 15.00 H +HETATM12764 H3 NAG D 475 15.595 0.341 -19.607 1.00 15.00 H +HETATM12765 H4 NAG D 475 15.033 -0.685 -22.436 1.00 15.00 H +HETATM12766 H5 NAG D 475 17.396 0.871 -21.288 1.00 15.00 H +HETATM12767 H61 NAG D 475 17.911 -0.759 -23.201 1.00 15.00 H +HETATM12768 H62 NAG D 475 18.328 0.910 -23.439 1.00 15.00 H +HETATM12769 H81 NAG D 475 12.398 3.064 -17.715 1.00 15.00 H +HETATM12770 H82 NAG D 475 10.827 2.460 -18.321 1.00 15.00 H +HETATM12771 H83 NAG D 475 11.350 4.130 -18.677 1.00 15.00 H +HETATM12772 HN2 NAG D 475 13.789 1.667 -18.809 1.00 15.00 H +HETATM12773 HO3 NAG D 475 14.458 -1.719 -19.849 1.00 15.00 H +HETATM12774 C1 FUC D 476 16.232 -0.814 -25.087 1.00124.98 C +HETATM12775 C2 FUC D 476 16.808 -0.890 -26.503 1.00125.81 C +HETATM12776 C3 FUC D 476 16.328 -2.148 -27.224 1.00129.00 C +HETATM12777 C4 FUC D 476 14.801 -2.210 -27.192 1.00131.96 C +HETATM12778 C5 FUC D 476 14.302 -2.112 -25.745 1.00131.24 C +HETATM12779 C6 FUC D 476 12.785 -2.053 -25.658 1.00127.79 C +HETATM12780 O2 FUC D 476 18.227 -0.888 -26.451 1.00126.76 O +HETATM12781 O3 FUC D 476 16.779 -2.118 -28.573 1.00127.46 O +HETATM12782 O4 FUC D 476 14.264 -1.138 -27.957 1.00136.33 O +HETATM12783 O5 FUC D 476 14.810 -0.911 -25.124 1.00126.79 O +HETATM12784 H1 FUC D 476 16.493 -1.690 -24.461 1.00 15.00 H +HETATM12785 H2 FUC D 476 16.463 -0.008 -27.064 1.00 15.00 H +HETATM12786 H3 FUC D 476 16.758 -3.026 -26.712 1.00 15.00 H +HETATM12787 H4 FUC D 476 14.498 -3.172 -27.640 1.00 15.00 H +HETATM12788 H5 FUC D 476 14.640 -3.007 -25.190 1.00 15.00 H +HETATM12789 H61 FUC D 476 12.457 -2.062 -24.606 1.00 15.00 H +HETATM12790 H62 FUC D 476 12.328 -2.907 -26.184 1.00 15.00 H +HETATM12791 H63 FUC D 476 12.398 -1.132 -26.117 1.00 15.00 H +HETATM12792 HO2 FUC D 476 18.551 -1.039 -27.350 1.00 15.00 H +HETATM12793 HO3 FUC D 476 16.127 -1.583 -29.052 1.00 15.00 H +HETATM12794 HO4 FUC D 476 14.226 -0.371 -27.368 1.00 15.00 H +HETATM12795 C1 NAG D 477 17.094 -1.710 -19.994 1.00134.11 C +HETATM12796 C2 NAG D 477 18.509 -2.321 -19.991 1.00133.32 C +HETATM12797 C3 NAG D 477 18.470 -3.851 -19.851 1.00129.80 C +HETATM12798 C4 NAG D 477 17.583 -4.268 -18.672 1.00130.17 C +HETATM12799 C5 NAG D 477 16.172 -3.660 -18.813 1.00132.52 C +HETATM12800 C6 NAG D 477 15.305 -3.964 -17.595 1.00133.95 C +HETATM12801 C7 NAG D 477 19.910 -0.813 -21.281 1.00135.18 C +HETATM12802 C8 NAG D 477 20.661 -0.562 -22.584 1.00129.39 C +HETATM12803 N2 NAG D 477 19.250 -1.968 -21.193 1.00136.23 N +HETATM12804 O3 NAG D 477 19.791 -4.341 -19.654 1.00122.42 O +HETATM12805 O4 NAG D 477 17.461 -5.714 -18.645 1.00131.53 O +HETATM12806 O5 NAG D 477 16.215 -2.205 -18.952 1.00133.01 O +HETATM12807 O6 NAG D 477 13.945 -3.611 -17.818 1.00136.03 O +HETATM12808 O7 NAG D 477 19.893 0.036 -20.385 1.00137.91 O +HETATM12809 H1 NAG D 477 16.596 -2.502 -20.626 1.00 15.00 H +HETATM12810 H2 NAG D 477 19.028 -1.930 -19.096 1.00 15.00 H +HETATM12811 H3 NAG D 477 18.074 -4.296 -20.780 1.00 15.00 H +HETATM12812 H4 NAG D 477 18.026 -3.862 -17.746 1.00 15.00 H +HETATM12813 H5 NAG D 477 15.665 -4.158 -19.661 1.00 15.00 H +HETATM12814 H61 NAG D 477 15.684 -3.421 -16.714 1.00 15.00 H +HETATM12815 H62 NAG D 477 15.352 -5.037 -17.348 1.00 15.00 H +HETATM12816 H81 NAG D 477 20.684 0.511 -22.820 1.00 15.00 H +HETATM12817 H82 NAG D 477 20.216 -1.105 -23.429 1.00 15.00 H +HETATM12818 H83 NAG D 477 21.701 -0.906 -22.478 1.00 15.00 H +HETATM12819 HN2 NAG D 477 19.292 -2.620 -21.922 1.00 15.00 H +HETATM12820 HO3 NAG D 477 19.800 -5.298 -19.745 1.00 15.00 H +HETATM12821 HO6 NAG D 477 13.834 -2.653 -17.811 1.00 15.00 H +HETATM12822 C1 BMA D 478 18.362 -6.475 -17.906 1.00133.81 C +HETATM12823 C2 BMA D 478 17.667 -7.775 -17.472 1.00135.21 C +HETATM12824 C3 BMA D 478 18.661 -8.712 -16.780 1.00134.66 C +HETATM12825 C4 BMA D 478 19.857 -8.933 -17.684 1.00134.59 C +HETATM12826 C5 BMA D 478 20.471 -7.602 -18.118 1.00137.69 C +HETATM12827 C6 BMA D 478 21.567 -7.850 -19.134 1.00141.96 C +HETATM12828 O2 BMA D 478 17.114 -8.420 -18.613 1.00133.43 O +HETATM12829 O3 BMA D 478 18.042 -9.991 -16.519 1.00133.96 O +HETATM12830 O4 BMA D 478 20.824 -9.717 -17.003 1.00132.69 O +HETATM12831 O5 BMA D 478 19.475 -6.778 -18.760 1.00137.69 O +HETATM12832 O6 BMA D 478 22.164 -6.608 -19.566 1.00147.77 O +HETATM12833 H1 BMA D 478 18.713 -5.903 -17.024 1.00 15.00 H +HETATM12834 H2 BMA D 478 16.856 -7.498 -16.775 1.00 15.00 H +HETATM12835 H3 BMA D 478 18.997 -8.200 -15.860 1.00 15.00 H +HETATM12836 H4 BMA D 478 19.504 -9.477 -18.578 1.00 15.00 H +HETATM12837 H5 BMA D 478 20.896 -7.067 -17.249 1.00 15.00 H +HETATM12838 H61 BMA D 478 21.103 -8.418 -19.954 1.00 15.00 H +HETATM12839 H62 BMA D 478 22.316 -8.516 -18.681 1.00 15.00 H +HETATM12840 HO2 BMA D 478 16.815 -7.717 -19.201 1.00 15.00 H +HETATM12841 HO4 BMA D 478 20.397 -10.538 -16.745 1.00 15.00 H +HETATM12842 C1 MAN D 479 22.980 -6.842 -20.680 1.00155.66 C +HETATM12843 C2 MAN D 479 23.698 -5.553 -21.119 1.00160.11 C +HETATM12844 C3 MAN D 479 22.758 -4.590 -21.864 1.00160.60 C +HETATM12845 C4 MAN D 479 21.904 -5.316 -22.903 1.00160.72 C +HETATM12846 C5 MAN D 479 21.230 -6.518 -22.256 1.00160.64 C +HETATM12847 C6 MAN D 479 20.357 -7.335 -23.180 1.00162.71 C +HETATM12848 O2 MAN D 479 24.840 -5.884 -21.951 1.00166.22 O +HETATM12849 O3 MAN D 479 23.522 -3.585 -22.515 1.00159.04 O +HETATM12850 O4 MAN D 479 20.928 -4.422 -23.418 1.00163.13 O +HETATM12851 O5 MAN D 479 22.240 -7.398 -21.749 1.00157.58 O +HETATM12852 O6 MAN D 479 20.008 -8.572 -22.572 1.00166.39 O +HETATM12853 H1 MAN D 479 23.714 -7.621 -20.402 1.00 15.00 H +HETATM12854 H2 MAN D 479 23.997 -5.002 -20.208 1.00 15.00 H +HETATM12855 H3 MAN D 479 22.073 -4.121 -21.135 1.00 15.00 H +HETATM12856 H4 MAN D 479 22.568 -5.668 -23.712 1.00 15.00 H +HETATM12857 H5 MAN D 479 20.593 -6.200 -21.414 1.00 15.00 H +HETATM12858 H61 MAN D 479 20.888 -7.523 -24.125 1.00 15.00 H +HETATM12859 H62 MAN D 479 19.453 -6.758 -23.429 1.00 15.00 H +HETATM12860 HO3 MAN D 479 24.283 -4.037 -22.911 1.00 15.00 H +HETATM12861 HO4 MAN D 479 21.452 -3.661 -23.701 1.00 15.00 H +HETATM12862 HO6 MAN D 479 20.764 -8.839 -22.040 1.00 15.00 H +HETATM12863 C1 NAG D 480 26.076 -5.958 -21.307 1.00170.09 C +HETATM12864 C2 NAG D 480 26.955 -7.030 -21.931 1.00168.91 C +HETATM12865 C3 NAG D 480 28.210 -7.140 -21.075 1.00168.40 C +HETATM12866 C4 NAG D 480 28.933 -5.782 -21.044 1.00170.01 C +HETATM12867 C5 NAG D 480 27.965 -4.627 -20.672 1.00173.13 C +HETATM12868 C6 NAG D 480 28.560 -3.247 -20.934 1.00175.04 C +HETATM12869 C7 NAG D 480 25.589 -8.646 -23.082 1.00162.97 C +HETATM12870 C8 NAG D 480 24.899 -9.999 -23.046 1.00162.67 C +HETATM12871 N2 NAG D 480 26.266 -8.304 -21.991 1.00165.89 N +HETATM12872 O3 NAG D 480 29.058 -8.144 -21.613 1.00167.29 O +HETATM12873 O4 NAG D 480 30.002 -5.805 -20.067 1.00167.71 O +HETATM12874 O5 NAG D 480 26.731 -4.694 -21.431 1.00175.72 O +HETATM12875 O6 NAG D 480 29.662 -2.980 -20.078 1.00174.56 O +HETATM12876 O7 NAG D 480 25.522 -7.923 -24.076 1.00161.63 O +HETATM12877 H1 NAG D 480 25.903 -6.164 -20.235 1.00 15.00 H +HETATM12878 H2 NAG D 480 27.266 -6.694 -22.938 1.00 15.00 H +HETATM12879 H3 NAG D 480 27.922 -7.433 -20.053 1.00 15.00 H +HETATM12880 H4 NAG D 480 29.320 -5.544 -22.044 1.00 15.00 H +HETATM12881 H5 NAG D 480 27.700 -4.678 -19.601 1.00 15.00 H +HETATM12882 H61 NAG D 480 27.791 -2.475 -20.777 1.00 15.00 H +HETATM12883 H62 NAG D 480 28.875 -3.162 -21.984 1.00 15.00 H +HETATM12884 H81 NAG D 480 25.647 -10.805 -23.014 1.00 15.00 H +HETATM12885 H82 NAG D 480 24.293 -10.135 -23.953 1.00 15.00 H +HETATM12886 H83 NAG D 480 24.231 -10.069 -22.178 1.00 15.00 H +HETATM12887 HN2 NAG D 480 26.364 -8.930 -21.250 1.00 15.00 H +HETATM12888 HO3 NAG D 480 29.519 -7.784 -22.385 1.00 15.00 H +HETATM12889 HO6 NAG D 480 30.426 -3.518 -20.330 1.00 15.00 H +HETATM12890 C1 GAL D 481 30.925 -6.846 -20.032 1.00162.05 C +HETATM12891 C2 GAL D 481 31.908 -6.729 -21.213 1.00159.87 C +HETATM12892 C3 GAL D 481 33.005 -7.790 -21.121 1.00161.19 C +HETATM12893 C4 GAL D 481 33.555 -7.890 -19.697 1.00161.82 C +HETATM12894 C5 GAL D 481 33.045 -6.735 -18.832 1.00161.13 C +HETATM12895 C6 GAL D 481 33.489 -5.335 -19.267 1.00160.73 C +HETATM12896 O2 GAL D 481 31.219 -6.886 -22.444 1.00155.85 O +HETATM12897 O3 GAL D 481 34.059 -7.468 -22.021 1.00159.45 O +HETATM12898 O4 GAL D 481 34.977 -7.880 -19.731 1.00163.27 O +HETATM12899 O5 GAL D 481 31.599 -6.756 -18.760 1.00162.09 O +HETATM12900 O6 GAL D 481 32.385 -4.451 -19.429 1.00158.81 O +HETATM12901 H1 GAL D 481 30.509 -7.854 -19.926 1.00 15.00 H +HETATM12902 H2 GAL D 481 32.320 -5.728 -21.354 1.00 15.00 H +HETATM12903 H3 GAL D 481 32.572 -8.765 -21.397 1.00 15.00 H +HETATM12904 H4 GAL D 481 33.214 -8.823 -19.212 1.00 15.00 H +HETATM12905 H5 GAL D 481 33.338 -6.901 -17.780 1.00 15.00 H +HETATM12906 H61 GAL D 481 34.172 -5.326 -20.129 1.00 15.00 H +HETATM12907 H62 GAL D 481 34.091 -4.898 -18.459 1.00 15.00 H +HETATM12908 HO2 GAL D 481 31.915 -6.892 -23.117 1.00 15.00 H +HETATM12909 HO3 GAL D 481 34.758 -8.120 -21.887 1.00 15.00 H +HETATM12910 HO4 GAL D 481 35.257 -7.097 -20.223 1.00 15.00 H +HETATM12911 HO6 GAL D 481 31.599 -4.899 -19.076 1.00 15.00 H +HETATM12912 C1 MAN D 482 18.070 -10.445 -15.194 1.00129.86 C +HETATM12913 C2 MAN D 482 17.746 -11.944 -15.167 1.00128.25 C +HETATM12914 C3 MAN D 482 16.325 -12.169 -15.659 1.00129.93 C +HETATM12915 C4 MAN D 482 15.360 -11.346 -14.803 1.00131.92 C +HETATM12916 C5 MAN D 482 15.773 -9.866 -14.805 1.00131.42 C +HETATM12917 C6 MAN D 482 14.926 -9.000 -13.882 1.00129.95 C +HETATM12918 O2 MAN D 482 17.853 -12.444 -13.819 1.00126.43 O +HETATM12919 O3 MAN D 482 16.002 -13.548 -15.548 1.00131.23 O +HETATM12920 O4 MAN D 482 14.040 -11.489 -15.310 1.00132.85 O +HETATM12921 O5 MAN D 482 17.147 -9.736 -14.379 1.00129.86 O +HETATM12922 O6 MAN D 482 15.194 -7.614 -14.075 1.00129.44 O +HETATM12923 H1 MAN D 482 19.080 -10.243 -14.807 1.00 15.00 H +HETATM12924 H2 MAN D 482 18.434 -12.467 -15.854 1.00 15.00 H +HETATM12925 H3 MAN D 482 16.231 -11.848 -16.712 1.00 15.00 H +HETATM12926 H4 MAN D 482 15.387 -11.731 -13.771 1.00 15.00 H +HETATM12927 H5 MAN D 482 15.654 -9.496 -15.838 1.00 15.00 H +HETATM12928 H61 MAN D 482 15.124 -9.274 -12.836 1.00 15.00 H +HETATM12929 H62 MAN D 482 13.860 -9.211 -14.069 1.00 15.00 H +HETATM12930 HO3 MAN D 482 16.283 -13.834 -14.670 1.00 15.00 H +HETATM12931 HO4 MAN D 482 13.938 -12.424 -15.536 1.00 15.00 H +HETATM12932 HO6 MAN D 482 14.376 -7.173 -14.324 1.00 15.00 H +HETATM12933 C1 NAG D 483 19.111 -12.832 -13.389 1.00131.61 C +HETATM12934 C2 NAG D 483 19.154 -12.814 -11.862 1.00133.06 C +HETATM12935 C3 NAG D 483 20.553 -13.241 -11.397 1.00133.96 C +HETATM12936 C4 NAG D 483 20.853 -14.634 -11.965 1.00132.20 C +HETATM12937 C5 NAG D 483 20.681 -14.634 -13.494 1.00132.66 C +HETATM12938 C6 NAG D 483 20.841 -16.007 -14.118 1.00133.71 C +HETATM12939 C7 NAG D 483 19.308 -10.383 -11.807 1.00126.28 C +HETATM12940 C8 NAG D 483 18.797 -9.101 -11.171 1.00124.76 C +HETATM12941 N2 NAG D 483 18.774 -11.510 -11.338 1.00129.21 N +HETATM12942 O3 NAG D 483 20.612 -13.276 -9.976 1.00136.04 O +HETATM12943 O4 NAG D 483 22.180 -15.018 -11.623 1.00127.37 O +HETATM12944 O5 NAG D 483 19.361 -14.161 -13.861 1.00132.52 O +HETATM12945 O6 NAG D 483 20.457 -15.985 -15.487 1.00136.38 O +HETATM12946 O7 NAG D 483 20.184 -10.359 -12.673 1.00124.40 O +HETATM12947 H1 NAG D 483 19.904 -12.235 -13.868 1.00 15.00 H +HETATM12948 H2 NAG D 483 18.422 -13.541 -11.481 1.00 15.00 H +HETATM12949 H3 NAG D 483 21.320 -12.541 -11.774 1.00 15.00 H +HETATM12950 H4 NAG D 483 20.147 -15.354 -11.519 1.00 15.00 H +HETATM12951 H5 NAG D 483 21.428 -13.968 -13.966 1.00 15.00 H +HETATM12952 H61 NAG D 483 20.233 -16.749 -13.580 1.00 15.00 H +HETATM12953 H62 NAG D 483 21.892 -16.328 -14.040 1.00 15.00 H +HETATM12954 H81 NAG D 483 17.811 -8.846 -11.588 1.00 15.00 H +HETATM12955 H82 NAG D 483 19.481 -8.267 -11.384 1.00 15.00 H +HETATM12956 H83 NAG D 483 18.716 -9.206 -10.081 1.00 15.00 H +HETATM12957 HN2 NAG D 483 18.119 -11.477 -10.618 1.00 15.00 H +HETATM12958 HO3 NAG D 483 21.486 -13.625 -9.757 1.00 15.00 H +HETATM12959 HO4 NAG D 483 22.336 -15.927 -11.890 1.00 15.00 H +HETATM12960 HO6 NAG D 483 19.634 -15.486 -15.565 1.00 15.00 H +END diff --git a/test/PDB/Writer/hetatms.pdb b/test/PDB/Writer/hetatms.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/Writer/hetatms.pdb @@ -0,0 +1,41 @@ +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +TER 10 ASP A 1 +HETATM 11 H62 FUC D 476 12.328 -2.907 -26.184 1.00 15.00 H +HETATM 12 H63 FUC D 476 12.398 -1.132 -26.117 1.00 15.00 H +HETATM 13 HO2 FUC D 476 18.551 -1.039 -27.350 1.00 15.00 H +HETATM 14 HO3 FUC D 476 16.127 -1.583 -29.052 1.00 15.00 H +HETATM 15 HO4 FUC D 476 14.226 -0.371 -27.368 1.00 15.00 H +HETATM 16 C1 NAG D 477 17.094 -1.710 -19.994 1.00134.11 C +HETATM 17 C2 NAG D 477 18.509 -2.321 -19.991 1.00133.32 C +HETATM 18 C3 NAG D 477 18.470 -3.851 -19.851 1.00129.80 C +HETATM 19 C4 NAG D 477 17.583 -4.268 -18.672 1.00130.17 C +HETATM 20 C5 NAG D 477 16.172 -3.660 -18.813 1.00132.52 C +HETATM 21 C6 NAG D 477 15.305 -3.964 -17.595 1.00133.95 C +HETATM 22 C7 NAG D 477 19.910 -0.813 -21.281 1.00135.18 C +HETATM 23 C8 NAG D 477 20.661 -0.562 -22.584 1.00129.39 C +HETATM 24 N2 NAG D 477 19.250 -1.968 -21.193 1.00136.23 N +HETATM 25 O3 NAG D 477 19.791 -4.341 -19.654 1.00122.42 O +HETATM 26 H62 FUC K 476 12.328 -2.907 -26.184 1.00 15.00 H +HETATM 27 H63 FUC K 476 12.398 -1.132 -26.117 1.00 15.00 H +HETATM 28 HO2 FUC K 476 18.551 -1.039 -27.350 1.00 15.00 H +HETATM 29 HO3 FUC K 476 16.127 -1.583 -29.052 1.00 15.00 H +HETATM 30 HO4 FUC K 476 14.226 -0.371 -27.368 1.00 15.00 H +HETATM 31 C1 NAG K 477 17.094 -1.710 -19.994 1.00134.11 C +HETATM 32 C2 NAG K 477 18.509 -2.321 -19.991 1.00133.32 C +HETATM 33 C3 NAG K 477 18.470 -3.851 -19.851 1.00129.80 C +HETATM 34 C4 NAG K 477 17.583 -4.268 -18.672 1.00130.17 C +HETATM 35 C5 NAG K 477 16.172 -3.660 -18.813 1.00132.52 C +HETATM 36 C6 NAG K 477 15.305 -3.964 -17.595 1.00133.95 C +HETATM 37 C7 NAG K 477 19.910 -0.813 -21.281 1.00135.18 C +HETATM 38 C8 NAG K 477 20.661 -0.562 -22.584 1.00129.39 C +HETATM 39 N2 NAG K 477 19.250 -1.968 -21.193 1.00136.23 N +HETATM 40 O3 NAG K 477 19.791 -4.341 -19.654 1.00122.42 O +END diff --git a/test/PDB/Writer/several_models.pdb b/test/PDB/Writer/several_models.pdb new file mode 100644 --- /dev/null +++ b/test/PDB/Writer/several_models.pdb @@ -0,0 +1,37 @@ +MODEL 1 +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +TER 10 ASP A 1 +ENDMDL +MODEL 2 +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +TER 10 ASP A 1 +ENDMDL +MODEL 3 +ATOM 1 N ASP A 1 1.600 -85.453 44.624 1.00 43.02 N +ATOM 2 CA ASP A 1 1.649 -84.304 45.569 1.00 38.99 C +ATOM 3 C ASP A 1 0.334 -84.255 46.321 1.00 38.23 C +ATOM 4 O ASP A 1 -0.652 -84.862 45.904 1.00 49.17 O +ATOM 5 CB ASP A 1 1.826 -82.992 44.807 1.00 45.89 C +ATOM 6 CG ASP A 1 3.124 -82.933 44.021 1.00 54.91 C +ATOM 7 OD1 ASP A 1 3.551 -83.966 43.460 1.00 58.03 O +ATOM 8 OD2 ASP A 1 3.713 -81.831 43.950 1.00 61.73 O +ATOM 9 H1 ASP A 1 0.744 -85.315 44.045 1.00 15.00 H +TER 10 ASP A 1 +ENDMDL +END